A0A3Q0KP12_SCHMA Loading...

GDP-D-glucose phosphorylase 1

AlphaFold DB , UniProt , Accession A0A3Q0KP12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.8Very high96.4Very high138 Ų13876.5 Ų76.568%0.6839%0.385SS*.  0142.30172.1-176.1-137.600108.8T24 L28 L100 L101 N102M1-T24 HydrophobicContact SD-CG2 3.89Å; M1-L28 HydrophobicContact CB-CD1 4.48Å; M1-L28 HydrophobicContact SD-CD1 3.87Å; M1-L28 HydrophobicContact SD-CD2 4.46Å; M1-L100 PolarHBondContact N-O 3.42Å; M1-L100 VanDerWaalsContact N-O 3.1Å; M1-L101 HydrophobicContact CB-CD2 4.02Å; M1-L101 HydrophobicContact CG-CD2 4.02Å; M1-L101 CarbonylContact O-C 3.42Å; M1-L101 VanDerWaalsContact O-CA 3.29Å; M1-L101 WeakPolarHBondContact O-CA 3.17Å; M1-L101 HydrophobicContact SD-CD2 3.98Å; M1-N102 PolarHBondContact O-N 3.25Å
2N96Very high96.4Very high118 Ų11873.6 Ų73.663%0.63137%0.371SS*.EExtended strand (participates in β ladder)trans-87.5139.3176.7-67.4-18.3000110.7N102N2-N102 WeakPolarHBondContact CA-O 3.33Å
3F97.7Very high96.1Very high12 Ų1278.5 Ų78.55%0.05338%0.383CS..EExtended strand (participates in β ladder)trans-126.3104.8172.5-170.9-77.5000108.8K20 F21 T24 L101 N102 V103 S104 L154F3-K20 HydrophobicContact CE2-CD 4.23Å; F3-K20 HydrophobicContact CE2-CG 4.02Å; F3-K20 HydrophobicContact CZ-CB 4.44Å; F3-K20 HydrophobicContact CZ-CD 4.32Å; F3-K20 HydrophobicContact CZ-CG 4.31Å; F3-F21 HydrophobicContact CD1-CD2 4.42Å; F3-F21 HydrophobicContact CE1-CB 4.26Å; F3-F21 HydrophobicContact CE1-CD2 4.25Å; F3-F21 HydrophobicContact CE2-CB 4.14Å; F3-F21 HydrophobicContact CE2-CD2 4.48Å; F3-F21 HydrophobicContact CZ-CB 3.69Å; F3-F21 HydrophobicContact CZ-CD2 4.29Å; F3-T24 HydrophobicContact CD2-CG2 4.48Å; F3-L101 HydrophobicContact CB-CD2 4.26Å; F3-N102 PolarHBondContact N-O 3.3Å; F3-V103 HydrophobicContact CB-CG2 4.3Å; F3-V103 HydrophobicContact CD1-CG1 4.27Å; F3-V103 WeakPolarHBondContact O-CA 3.46Å; F3-S104 PolarHBondContact O-N 3.26Å; F3-L154 HydrophobicContact CD1-CD1 4.24Å; F3-L154 HydrophobicContact CE1-CD1 3.94Å
4E97.4Very high95.4Very high114 Ų11474.4 Ų74.453%0.53337%0.366SS..EExtended strand (participates in β ladder)trans-93.6140.7175.4-65.9-178.2179.400110.4S104E4-S104 VanDerWaalsContact CA-O 3.31Å; E4-S104 WeakPolarHBondContact CA-O 3.24Å
5Y97.8Very high94.5Very high13 Ų1375 Ų755%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-137162.8177.872.9-88.8000111.6D9 L10 V103 S104 E105 K106 K150 L154Y5-D9 WeakPolarHBondContact CA-OD2 3.13Å; Y5-L10 HydrophobicContact CD2-CD2 4.09Å; Y5-L10 HydrophobicContact CE2-CD2 3.95Å; Y5-V103 HydrophobicContact CD1-CG1 3.88Å; Y5-V103 HydrophobicContact CE1-CG1 3.88Å; Y5-S104 VanDerWaalsContact CD1-C 3.47Å; Y5-S104 WeakPolarHBondContact CD1-O 3.4Å; Y5-S104 PolarHBondContact N-O 3.47Å; Y5-S104 VanDerWaalsContact N-O 3.1Å; Y5-E105 HydrophobicContact CE1-CB 4.13Å; Y5-E105 HydrophobicContact CE2-CB 4Å; Y5-E105 HydrophobicContact CE2-CG 4.25Å; Y5-E105 CarbonylContact O-C 3.52Å; Y5-E105 WeakPolarHBondContact O-CA 3.46Å; Y5-K106 PolarHBondContact O-N 3.31Å; Y5-K150 HydrophobicContact CE2-CB 4.24Å; Y5-K150 HydrophobicContact CE2-CD 4.19Å; Y5-K150 VanDerWaalsContact OH-CB 3.26Å; Y5-K150 WeakPolarHBondContact OH-CB 3.4Å; Y5-K150 WeakPolarHBondContact OH-CD 3.39Å; Y5-L154 HydrophobicContact CD1-CD1 3.82Å; Y5-L154 HydrophobicContact CD1-CD2 4.29Å; Y5-L154 HydrophobicContact CD2-CD2 3.81Å; Y5-L154 HydrophobicContact CE1-CD1 4.28Å; Y5-L154 HydrophobicContact CG-CD1 4.06Å; Y5-L154 HydrophobicContact CG-CD2 3.66Å; Y5-L154 HydrophobicContact CG-CG 4.4Å
6T97.2Very high93.2Very high45 Ų4578.1 Ų78.128%0.27639%0.394SS..  trans-121.8174.4170.865.70000109.8E8 D9 K106T6-E8 PolarHBondContact O-N 3.48Å; T6-E8 VanDerWaalsContact O-N 3.14Å; T6-E8 PolarHBondContact OG1-N 3.45Å; T6-D9 PolarHBondContact N-OD2 3.37Å; T6-D9 WeakPolarHBondContact O-CB 3.44Å; T6-D9 PolarHBondContact O-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 3.33Å; T6-D9 VanDerWaalsContact OG1-OD2 3.11Å; T6-K106 HydrophobicContact CG2-CB 4.05Å; T6-K106 HydrophobicContact CG2-CD 4.14Å
7N94.7Very high93.1Very high95 Ų9579.1 Ų79.151%0.50841%0.405SS..G310 helixtrans-60.8-21.7175.8-69.2-32.9000113.2D9 L10 E105N7-D9 VanDerWaalsContact C-N 3.27Å; N7-D9 PolarHBondContact O-N 3.5Å; N7-L10 HydrophobicContact CB-CD1 4.42Å; N7-L10 WeakPolarHBondContact O-CB 3.46Å; N7-L10 PolarHBondContact O-N 3.12Å; N7-E105 PolarHBondContact OD1-OE1 3.33Å
8E95.5Very high93.2Very high186 Ų18677.3 Ų77.387%0.86940%0.404SS*.G310 helixtrans-70.1-23.1175.4-62.2179.1179.700112.8T6 L10T6-E8 PolarHBondContact O-N 3.48Å; T6-E8 VanDerWaalsContact O-N 3.14Å; T6-E8 PolarHBondContact OG1-N 3.45Å; E8-L10 VanDerWaalsContact C-N 3.29Å
9D96.8Very high93.4Very high69 Ų6974.2 Ų74.237%0.36939%0.389SS..G310 helixtrans-82-8.1177.3-61-74.4000112.6Y5 T6 N7 L154Y5-D9 WeakPolarHBondContact CA-OD2 3.13Å; T6-D9 PolarHBondContact N-OD2 3.37Å; T6-D9 WeakPolarHBondContact O-CB 3.44Å; T6-D9 PolarHBondContact O-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 3.33Å; T6-D9 VanDerWaalsContact OG1-OD2 3.11Å; N7-D9 VanDerWaalsContact C-N 3.27Å; N7-D9 PolarHBondContact O-N 3.5Å; D9-L154 HydrophobicContact CB-CD2 3.92Å
10L97.5Very high93.6Very high15 Ų1577.6 Ų77.68%0.07940%0.4CS..  trans-77.8126.4-178.4-57.6-179.1000111Y5 N7 E8 K150 L153 L154 L221 L224Y5-L10 HydrophobicContact CD2-CD2 4.09Å; Y5-L10 HydrophobicContact CE2-CD2 3.95Å; N7-L10 HydrophobicContact CB-CD1 4.42Å; N7-L10 WeakPolarHBondContact O-CB 3.46Å; N7-L10 PolarHBondContact O-N 3.12Å; E8-L10 VanDerWaalsContact C-N 3.29Å; L10-K150 HydrophobicContact CD2-CB 4.38Å; L10-L153 HydrophobicContact CB-CB 4.27Å; L10-L153 HydrophobicContact CD2-CB 3.87Å; L10-L154 HydrophobicContact CD2-CD2 4.03Å; L10-L221 HydrophobicContact CB-CD1 4.38Å; L10-L221 HydrophobicContact CB-CD2 4.25Å; L10-L224 HydrophobicContact CD1-CD2 4.3Å
11I97.4Very high93.8Very high36 Ų3674 Ų7419%0.18538%0.382CS..  trans-106107.9-173.6-57.3178.2000109.3R13 L153 R251I11-R13 WeakPolarHBondContact CG2-O 3.17Å; I11-L153 WeakPolarHBondContact CA-O 3.39Å; I11-L153 WeakPolarHBondContact CB-O 3.18Å; I11-L153 PolarHBondContact N-O 3.19Å; I11-L153 WeakPolarHBondContact O-CD2 3.31Å; I11-R251 PolarHBondContact O-NH2 2.92Å
12L96Very high94Very high42 Ų4268 Ų6822%0.2235%0.353CS..SBendtrans-64.7-45.2179.2-178.260.5000112.7L218 T219 L221 R251 F257L12-L218 HydrophobicContact CD1-CD2 4.15Å; L12-L218 HydrophobicContact CD1-CG 3.96Å; L12-L218 VanDerWaalsContact CD1-O 3.29Å; L12-L218 WeakPolarHBondContact CD1-O 3.15Å; L12-T219 WeakPolarHBondContact CD2-O 3.45Å; L12-L221 HydrophobicContact CB-CD1 4.31Å; L12-L221 HydrophobicContact CB-CD2 4.31Å; L12-L221 HydrophobicContact CB-CG 4.03Å; L12-L221 HydrophobicContact CD1-CD2 4.25Å; L12-L221 HydrophobicContact CD1-CG 4.24Å; L12-R251 PolarHBondContact O-NH1 2.87Å; L12-F257 HydrophobicContact CD1-CD1 4.29Å; L12-F257 HydrophobicContact CD2-CD1 4.5Å; L12-F257 HydrophobicContact CD2-CE1 4.06Å; L12-F257 HydrophobicContact CG-CD1 3.97Å; L12-F257 HydrophobicContact CG-CE1 4.01Å
13R92.7Very high94.1Very high138 Ų13868.3 Ų68.352%0.52135%0.348SS..BIsolated β-bridgetrans-127.7142.6-174-165.9-179.7-172.1-173.83.1110.8I11 T15 T255 G256 F257I11-R13 WeakPolarHBondContact CG2-O 3.17Å; R13-T15 PolarHBondContact O-N 2.63Å; R13-T255 PolarHBondContact NE-O 2.71Å; R13-T255 PolarHBondContact NH2-O 2.82Å; R13-T255 VanDerWaalsContact NH2-O 3.14Å; R13-G256 WeakPolarHBondContact CA-O 3.41Å; R13-F257 HydrophobicContact CB-CD1 4.36Å; R13-F257 HydrophobicContact CB-CE1 4.43Å
14S86.3Confident94.2Very high21 Ų2169 Ų6915%0.14735%0.354CS..  trans-56.2132.7172.7-177.70000111.1N16 S156 G256S14-N16 PolarHBondContact OG-N 3.18Å; S14-S156 WeakPolarHBondContact CA-O 3.23Å; S14-S156 WeakPolarHBondContact CB-O 3.46Å; S14-S156 PolarHBondContact OG-O 3.36Å; S14-G256 PolarHBondContact N-O 3.29Å
15T81.3Confident94.2Very high83 Ų8363.7 Ų63.751%0.50933%0.329SS..  trans-106.34.1176.158.90000112.5R13 T17R13-T15 PolarHBondContact O-N 2.63Å; T15-T17 PolarHBondContact O-N 3.41Å; T15-T17 PolarHBondContact O-OG1 3.14Å; T15-T17 PolarHBondContact OG1-N 3.11Å; T15-T17 PolarHBondContact OG1-O 3.19Å
16N74.5Confident94.2Very high125 Ų12565.9 Ų65.967%0.66834%0.342SS*.SBendtrans52.98.1-168.8-62-35.5000115.2S14 R158S14-N16 PolarHBondContact OG-N 3.18Å; N16-R158 WeakPolarHBondContact OD1-CD 3.39Å
17T91.2Very high94.3Very high95 Ų9567.3 Ų67.358%0.58335%0.353SS*.SBendtrans-109.2118.1176-57.60000108.1T15 S19 S156T15-T17 PolarHBondContact O-N 3.41Å; T15-T17 PolarHBondContact O-OG1 3.14Å; T15-T17 PolarHBondContact OG1-N 3.11Å; T15-T17 PolarHBondContact OG1-O 3.19Å; T17-S19 PolarHBondContact O-N 2.97Å; T17-S156 WeakPolarHBondContact O-CB 3.33Å; T17-S156 PolarHBondContact O-OG 2.99Å
18A95Very high94.5Very high47 Ų4764.8 Ų64.839%0.38834%0.34SS..  trans-54.7123.6-178.400000111.3D22 K23A18-D22 HydrophobicContact CB-CB 4.09Å; A18-K23 HydrophobicContact CB-CG 3.92Å; A18-K23 VanDerWaalsContact O-CE 3.24Å; A18-K23 WeakPolarHBondContact O-CE 3.25Å
19S97Very high94.6Very high17 Ų1756 Ų5612%0.11930%0.298CS..  trans-66.9171.9175.669.70000111.4T17 F21 D22 K23 L154 S156T17-S19 PolarHBondContact O-N 2.97Å; S19-F21 PolarHBondContact O-N 3.41Å; S19-F21 PolarHBondContact OG-N 3.14Å; S19-D22 VanDerWaalsContact CB-OD2 3.29Å; S19-D22 WeakPolarHBondContact CB-OD2 3.47Å; S19-D22 PolarHBondContact N-OD2 3.1Å; S19-D22 PolarHBondContact O-N 3.11Å; S19-D22 PolarHBondContact OG-N 2.75Å; S19-D22 PolarHBondContact OG-OD2 2.76Å; S19-K23 WeakPolarHBondContact O-CG 3.42Å; S19-K23 PolarHBondContact O-N 3.04Å; S19-L154 VanDerWaalsContact CB-O 3.31Å; S19-L154 WeakPolarHBondContact CB-O 3.45Å; S19-L154 PolarHBondContact OG-O 3.35Å; S19-S156 PolarHBondContact N-OG 3.36Å
20K97.3Very high94.7Very high143 Ų14354.4 Ų54.462%0.62229%0.291SS*.Hα-helixtrans-58.4-39.9170-174.5-173.3174.4-172.90111.2F3 T24F3-K20 HydrophobicContact CE2-CD 4.23Å; F3-K20 HydrophobicContact CE2-CG 4.02Å; F3-K20 HydrophobicContact CZ-CB 4.44Å; F3-K20 HydrophobicContact CZ-CD 4.32Å; F3-K20 HydrophobicContact CZ-CG 4.31Å; K20-T24 WeakPolarHBondContact O-CB 3.42Å; K20-T24 PolarHBondContact O-N 2.81Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.45Å
21F98Very high94.7Very high2 Ų258.4 Ų58.41%0.00931%0.312CS..Hα-helixtrans-62.2-49.8176.8174.7-97.4000111.3F3 S19 K23 T24 L25 L101 V103 I114 L154 F180F3-F21 HydrophobicContact CD1-CD2 4.42Å; F3-F21 HydrophobicContact CE1-CB 4.26Å; F3-F21 HydrophobicContact CE1-CD2 4.25Å; F3-F21 HydrophobicContact CE2-CB 4.14Å; F3-F21 HydrophobicContact CE2-CD2 4.48Å; F3-F21 HydrophobicContact CZ-CB 3.69Å; F3-F21 HydrophobicContact CZ-CD2 4.29Å; S19-F21 PolarHBondContact O-N 3.41Å; S19-F21 PolarHBondContact OG-N 3.14Å; F21-K23 PolarHBondContact O-N 2.69Å; F21-T24 PolarHBondContact O-N 3.3Å; F21-L25 HydrophobicContact CE1-CD2 4.05Å; F21-L25 HydrophobicContact CZ-CD2 4.01Å; F21-L25 WeakPolarHBondContact O-CB 3.35Å; F21-L25 PolarHBondContact O-N 3.39Å; F21-L101 HydrophobicContact CE2-CD1 4.42Å; F21-V103 HydrophobicContact CE2-CG2 4.09Å; F21-I114 HydrophobicContact CE2-CD1 3.72Å; F21-I114 HydrophobicContact CZ-CD1 3.68Å; F21-L154 HydrophobicContact CB-CB 3.67Å; F21-L154 HydrophobicContact CD1-CB 3.95Å; F21-L154 HydrophobicContact CD2-CB 3.98Å; F21-L154 HydrophobicContact CD2-CD1 3.87Å; F21-L154 HydrophobicContact CE2-CD1 4.29Å; F21-L154 HydrophobicContact CG-CB 3.58Å; F21-L154 HydrophobicContact CG-CD1 4.34Å; F21-F180 HydrophobicContact CE1-CE2 4.44Å; F21-F180 HydrophobicContact CE1-CZ 4.48Å
22D97.9Very high94.7Very high13 Ų1356.9 Ų56.97%0.0731%0.305CS..Hα-helixtrans-57.8-51.3-179.9-63.4-51.2000111.2A18 S19 T24 L25 D26 S155 S156A18-D22 HydrophobicContact CB-CB 4.09Å; S19-D22 VanDerWaalsContact CB-OD2 3.29Å; S19-D22 WeakPolarHBondContact CB-OD2 3.47Å; S19-D22 PolarHBondContact N-OD2 3.1Å; S19-D22 PolarHBondContact O-N 3.11Å; S19-D22 PolarHBondContact OG-N 2.75Å; S19-D22 PolarHBondContact OG-OD2 2.76Å; D22-T24 VanDerWaalsContact C-N 3.3Å; D22-T24 PolarHBondContact O-N 2.98Å; D22-L25 PolarHBondContact O-N 2.52Å; D22-D26 WeakPolarHBondContact O-CB 3.43Å; D22-D26 PolarHBondContact O-N 3.45Å; D22-S155 WeakPolarHBondContact OD1-CA 3.49Å; D22-S155 WeakPolarHBondContact OD1-CB 3.44Å; D22-S155 PolarHBondContact OD1-OG 3.3Å; D22-S156 PolarHBondContact OD2-N 2.62Å; D22-S156 PolarHBondContact OD2-OG 3.1Å; D22-S156 VanDerWaalsContact OD2-OG 3.11Å
23K98Very high94.8Very high123 Ų12356.5 Ų56.554%0.53530%0.301SS..Hα-helixtrans-59.4-40.6179.4-68.8171.3-178.1170.80112.4A18 S19 F21 S27A18-K23 HydrophobicContact CB-CG 3.92Å; A18-K23 VanDerWaalsContact O-CE 3.24Å; A18-K23 WeakPolarHBondContact O-CE 3.25Å; S19-K23 WeakPolarHBondContact O-CG 3.42Å; S19-K23 PolarHBondContact O-N 3.04Å; F21-K23 PolarHBondContact O-N 2.69Å; K23-S27 WeakPolarHBondContact O-CB 3.46Å; K23-S27 PolarHBondContact O-N 2.76Å; K23-S27 PolarHBondContact O-OG 3.24Å
24T98.4Very high95Very high28 Ų2856.1 Ų56.117%0.17231%0.305CS..Hα-helixtrans-69.5-48-178.6-540000110.6M1 F3 K20 F21 D22 S27 L28 L101M1-T24 HydrophobicContact SD-CG2 3.89Å; F3-T24 HydrophobicContact CD2-CG2 4.48Å; K20-T24 WeakPolarHBondContact O-CB 3.42Å; K20-T24 PolarHBondContact O-N 2.81Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.45Å; F21-T24 PolarHBondContact O-N 3.3Å; D22-T24 VanDerWaalsContact C-N 3.3Å; D22-T24 PolarHBondContact O-N 2.98Å; T24-S27 PolarHBondContact O-N 3.34Å; T24-L28 HydrophobicContact CG2-CD1 4.05Å; T24-L28 WeakPolarHBondContact O-CB 3.43Å; T24-L28 VanDerWaalsContact O-CG 3.31Å; T24-L28 WeakPolarHBondContact O-CG 3.13Å; T24-L28 PolarHBondContact O-N 2.67Å; T24-L28 VanDerWaalsContact O-N 3.08Å; T24-L101 HydrophobicContact CG2-CD1 4.31Å; T24-L101 HydrophobicContact CG2-CD2 3.85Å
25L98.4Very high95.6Very high1 Ų157.5 Ų57.51%0.00532%0.315CS..Hα-helixtrans-63.4-44.7178.6178.857.9000111.3F21 D22 L28 W29 L100 L101 I114 F180F21-L25 HydrophobicContact CE1-CD2 4.05Å; F21-L25 HydrophobicContact CZ-CD2 4.01Å; F21-L25 WeakPolarHBondContact O-CB 3.35Å; F21-L25 PolarHBondContact O-N 3.39Å; D22-L25 PolarHBondContact O-N 2.52Å; L25-L28 PolarHBondContact O-N 3.1Å; L25-W29 VanDerWaalsContact O-CB 3.23Å; L25-W29 WeakPolarHBondContact O-CB 3.47Å; L25-W29 PolarHBondContact O-N 2.94Å; L25-L100 HydrophobicContact CD1-CD1 3.82Å; L25-L101 HydrophobicContact CB-CD1 4.22Å; L25-L101 HydrophobicContact CD1-CD1 4.35Å; L25-I114 HydrophobicContact CD1-CG2 3.85Å; L25-F180 HydrophobicContact CD2-CD1 3.97Å; L25-F180 HydrophobicContact CD2-CE1 3.48Å; L25-F180 VanDerWaalsContact CD2-CE1 3.48Å; L25-F180 HydrophobicContact CD2-CZ 3.83Å
26D98.1Very high96.3Very high60 Ų6058.8 Ų58.832%0.32132%0.319SS..Hα-helixtrans-57.2-49.4177.2-176.495.6000112D22 L28 W29 T30 Y123D22-D26 WeakPolarHBondContact O-CB 3.43Å; D22-D26 PolarHBondContact O-N 3.45Å; D26-L28 PolarHBondContact O-N 3.18Å; D26-W29 PolarHBondContact O-N 3.4Å; D26-T30 WeakPolarHBondContact O-CB 3.45Å; D26-T30 PolarHBondContact O-N 3.32Å; D26-T30 PolarHBondContact O-OG1 3.45Å; D26-Y123 WeakPolarHBondContact OD1-CE1 3.35Å; D26-Y123 PolarHBondContact OD1-OH 3.02Å
27S98.4Very high97.4Very high75 Ų7557.4 Ų57.452%0.52431%0.305SS..Hα-helixtrans-61.7-46178.9-59.20000112K23 T24 L31K23-S27 WeakPolarHBondContact O-CB 3.46Å; K23-S27 PolarHBondContact O-N 2.76Å; K23-S27 PolarHBondContact O-OG 3.24Å; T24-S27 PolarHBondContact O-N 3.34Å; S27-L31 WeakPolarHBondContact O-CB 3.41Å; S27-L31 PolarHBondContact O-N 3.12Å
28L98.6Very high97.7Very high42 Ų4253.6 Ų53.622%0.2228%0.28CS..Hα-helixtrans-69.8-41.7-178.7-70173.2000112.3M1 T24 L25 D26 L31 A32 L100 L101M1-L28 HydrophobicContact CB-CD1 4.48Å; M1-L28 HydrophobicContact SD-CD1 3.87Å; M1-L28 HydrophobicContact SD-CD2 4.46Å; T24-L28 HydrophobicContact CG2-CD1 4.05Å; T24-L28 WeakPolarHBondContact O-CB 3.43Å; T24-L28 VanDerWaalsContact O-CG 3.31Å; T24-L28 WeakPolarHBondContact O-CG 3.13Å; T24-L28 PolarHBondContact O-N 2.67Å; T24-L28 VanDerWaalsContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.1Å; D26-L28 PolarHBondContact O-N 3.18Å; L28-L31 PolarHBondContact O-N 3.35Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.27Å; L28-L100 HydrophobicContact CB-CB 4.3Å; L28-L100 HydrophobicContact CB-CD2 4.14Å; L28-L100 HydrophobicContact CD1-CB 4.36Å; L28-L101 HydrophobicContact CD1-CD1 4.34Å; L28-L101 HydrophobicContact CD1-CD2 3.44Å; L28-L101 VanDerWaalsContact CD1-CD2 3.44Å; L28-L101 HydrophobicContact CD1-CG 3.65Å
29W98.4Very high97.7Very high0 Ų056.9 Ų56.90%028%0.283CS..Hα-helixtrans-65.4-43.5177.3-170.398.9000110.7L25 D26 A32 Y33 F38 I42 L100 P120 Y123 L124 H125 S126L25-W29 VanDerWaalsContact O-CB 3.23Å; L25-W29 WeakPolarHBondContact O-CB 3.47Å; L25-W29 PolarHBondContact O-N 2.94Å; D26-W29 PolarHBondContact O-N 3.4Å; W29-A32 PolarHBondContact O-N 3.5Å; W29-Y33 HydrophobicContact CE3-CG 4.48Å; W29-Y33 AromaticContact CH2-CD2 3.46Å; W29-Y33 HydrophobicContact CH2-CD2 3.46Å; W29-Y33 VanDerWaalsContact CH2-CD2 3.46Å; W29-Y33 AromaticContact CH2-CE2 3.86Å; W29-Y33 HydrophobicContact CH2-CE2 3.86Å; W29-Y33 AromaticContact CH2-CG 3.9Å; W29-Y33 HydrophobicContact CH2-CG 3.9Å; W29-Y33 HydrophobicContact CZ2-CD2 4.15Å; W29-Y33 HydrophobicContact CZ3-CD1 4.3Å; W29-Y33 AromaticContact CZ3-CD2 3.79Å; W29-Y33 HydrophobicContact CZ3-CD2 3.79Å; W29-Y33 HydrophobicContact CZ3-CE2 4.44Å; W29-Y33 AromaticContact CZ3-CG 3.7Å; W29-Y33 HydrophobicContact CZ3-CG 3.7Å; W29-Y33 WeakPolarHBondContact O-CB 3.26Å; W29-Y33 PolarHBondContact O-N 2.79Å; W29-F38 HydrophobicContact CD2-CZ 4.1Å; W29-F38 AromaticContact CE2-CE1 3.9Å; W29-F38 AromaticContact CE2-CZ 3.47Å; W29-F38 VanDerWaalsContact CE2-CZ 3.47Å; W29-F38 HydrophobicContact CG-CZ 4.42Å; W29-F38 HydrophobicContact CH2-CZ 4.49Å; W29-F38 AromaticContact CZ2-CE1 3.86Å; W29-F38 HydrophobicContact CZ2-CE1 3.86Å; W29-F38 AromaticContact CZ2-CZ 3.72Å; W29-F38 HydrophobicContact CZ2-CZ 3.72Å; W29-F38 AromaticContact NE1-CE1 3.76Å; W29-F38 AromaticContact NE1-CZ 3.45Å; W29-I42 HydrophobicContact CH2-CD1 4.45Å; W29-L100 HydrophobicContact CB-CD1 4.08Å; W29-P120 HydrophobicContact CZ2-CB 4.48Å; W29-Y123 HydrophobicContact CE3-CD2 4.11Å; W29-Y123 AromaticContact CE3-CE2 3.71Å; W29-Y123 HydrophobicContact CE3-CE2 3.71Å; W29-Y123 AromaticContact CH2-CD2 3.99Å; W29-Y123 HydrophobicContact CH2-CD2 3.99Å; W29-Y123 HydrophobicContact CH2-CE2 4.35Å; W29-Y123 AromaticContact CZ3-CD2 3.52Å; W29-Y123 HydrophobicContact CZ3-CD2 3.52Å; W29-Y123 AromaticContact CZ3-CE2 3.43Å; W29-Y123 HydrophobicContact CZ3-CE2 3.43Å; W29-Y123 VanDerWaalsContact CZ3-CE2 3.43Å; W29-L124 HydrophobicContact CB-CD2 3.68Å; W29-L124 HydrophobicContact CD2-CD2 3.93Å; W29-L124 HydrophobicContact CE3-CD2 4.1Å; W29-L124 HydrophobicContact CG-CD2 3.75Å; W29-H125 PolarHBondContact NE1-O 3.45Å; W29-H125 VanDerWaalsContact NE1-O 3.16Å; W29-S126 VanDerWaalsContact CD1-OG 3.29Å
30T97.9Very high97.6Very high36 Ų3656.9 Ų56.922%0.22128%0.28CS..Hα-helixtrans-62.7-44.3177.1-60.40000111.2D26 A32 Y33 E34 Y123D26-T30 WeakPolarHBondContact O-CB 3.45Å; D26-T30 PolarHBondContact O-N 3.32Å; D26-T30 PolarHBondContact O-OG1 3.45Å; T30-A32 PolarHBondContact O-N 2.92Å; T30-Y33 CarbonylContact O-C 3.54Å; T30-Y33 WeakPolarHBondContact O-CA 3.43Å; T30-Y33 WeakPolarHBondContact O-CB 3.34Å; T30-Y33 PolarHBondContact O-N 2.89Å; T30-Y33 VanDerWaalsContact O-N 3.09Å; T30-E34 HydrophobicContact CG2-CG 4.42Å; T30-E34 WeakPolarHBondContact O-CG 3.25Å; T30-E34 PolarHBondContact O-N 3.19Å; T30-Y123 PolarHBondContact OG1-OH 3.28Å
31L98.1Very high97.4Very high99 Ų9954.2 Ų54.252%0.51827%0.269SS..Hα-helixtrans-60.4-44.6175.2-179.964.1000112.1S27 L28 Y33 E34 S35S27-L31 WeakPolarHBondContact O-CB 3.41Å; S27-L31 PolarHBondContact O-N 3.12Å; L28-L31 PolarHBondContact O-N 3.35Å; L31-Y33 VanDerWaalsContact C-N 3.26Å; L31-Y33 PolarHBondContact O-N 3.42Å; L31-E34 PolarHBondContact O-N 2.96Å; L31-S35 VanDerWaalsContact O-CB 3.24Å; L31-S35 WeakPolarHBondContact O-CB 3.47Å; L31-S35 PolarHBondContact O-N 2.89Å; L31-S35 PolarHBondContact O-OG 3.44Å
32A98.3Very high97.2Very high5 Ų555.1 Ų55.14%0.04127%0.273CS..Hα-helixtrans-63.5-35.4175.300000111.7L28 W29 T30 N36 Y37 F38 L100 I116L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.27Å; W29-A32 PolarHBondContact O-N 3.5Å; T30-A32 PolarHBondContact O-N 2.92Å; A32-N36 PolarHBondContact O-N 3.45Å; A32-Y37 HydrophobicContact CB-CD2 3.86Å; A32-Y37 PolarHBondContact O-N 2.98Å; A32-Y37 VanDerWaalsContact O-N 3.16Å; A32-F38 HydrophobicContact CB-CE2 4.07Å; A32-L100 HydrophobicContact CB-CD2 4.14Å; A32-I116 HydrophobicContact CB-CG2 3.91Å
33Y97.5Very high96.7Very high33 Ų3357.3 Ų57.313%0.12929%0.285CS..Hα-helixtrans-66-54.1178-168.5-106.1000109.6W29 T30 L31 S35 N36 F38 K41 I42W29-Y33 HydrophobicContact CE3-CG 4.48Å; W29-Y33 AromaticContact CH2-CD2 3.46Å; W29-Y33 HydrophobicContact CH2-CD2 3.46Å; W29-Y33 VanDerWaalsContact CH2-CD2 3.46Å; W29-Y33 AromaticContact CH2-CE2 3.86Å; W29-Y33 HydrophobicContact CH2-CE2 3.86Å; W29-Y33 AromaticContact CH2-CG 3.9Å; W29-Y33 HydrophobicContact CH2-CG 3.9Å; W29-Y33 HydrophobicContact CZ2-CD2 4.15Å; W29-Y33 HydrophobicContact CZ3-CD1 4.3Å; W29-Y33 AromaticContact CZ3-CD2 3.79Å; W29-Y33 HydrophobicContact CZ3-CD2 3.79Å; W29-Y33 HydrophobicContact CZ3-CE2 4.44Å; W29-Y33 AromaticContact CZ3-CG 3.7Å; W29-Y33 HydrophobicContact CZ3-CG 3.7Å; W29-Y33 WeakPolarHBondContact O-CB 3.26Å; W29-Y33 PolarHBondContact O-N 2.79Å; T30-Y33 CarbonylContact O-C 3.54Å; T30-Y33 WeakPolarHBondContact O-CA 3.43Å; T30-Y33 WeakPolarHBondContact O-CB 3.34Å; T30-Y33 PolarHBondContact O-N 2.89Å; T30-Y33 VanDerWaalsContact O-N 3.09Å; L31-Y33 VanDerWaalsContact C-N 3.26Å; L31-Y33 PolarHBondContact O-N 3.42Å; Y33-S35 PolarHBondContact O-N 3.18Å; Y33-N36 PolarHBondContact O-N 3.07Å; Y33-F38 VanDerWaalsContact CA-CE2 3.45Å; Y33-F38 AromaticContact CD2-CD2 3.77Å; Y33-F38 HydrophobicContact CD2-CD2 3.77Å; Y33-F38 AromaticContact CD2-CE2 3.89Å; Y33-F38 HydrophobicContact CD2-CE2 3.89Å; Y33-F38 HydrophobicContact CD2-CG 4.23Å; Y33-F38 HydrophobicContact CD2-CZ 4.39Å; Y33-F38 HydrophobicContact CG-CD2 4.46Å; Y33-F38 HydrophobicContact CG-CE2 4.38Å; Y33-K41 HydrophobicContact CD1-CD 4.25Å; Y33-K41 HydrophobicContact CD2-CD 4.28Å; Y33-K41 HydrophobicContact CE1-CD 3.65Å; Y33-K41 HydrophobicContact CE2-CD 3.66Å; Y33-K41 PolarHBondContact O-NZ 2.71Å; Y33-K41 WeakPolarHBondContact OH-CA 3.36Å; Y33-K41 WeakPolarHBondContact OH-CB 3.45Å; Y33-K41 WeakPolarHBondContact OH-CD 3.44Å; Y33-I42 HydrophobicContact CE2-CG1 4.26Å; Y33-I42 PolarHBondContact OH-N 2.93Å; Y33-I42 PolarHBondContact OH-O 3.48Å; Y33-I42 VanDerWaalsContact OH-O 3.12Å
34E96.8Very high96Very high131 Ų13156 Ų5661%0.61229%0.287SS*.Hα-helixtrans-59.1-34.2176.9-69.3175.1171.800112.9T30 L31 N36T30-E34 HydrophobicContact CG2-CG 4.42Å; T30-E34 WeakPolarHBondContact O-CG 3.25Å; T30-E34 PolarHBondContact O-N 3.19Å; L31-E34 PolarHBondContact O-N 2.96Å; E34-N36 PolarHBondContact O-N 3.21Å
35S97.8Very high95.5Very high49 Ų4958.7 Ų58.734%0.34331%0.307SS..THydrogen-bonded Turntrans-75.92.3176.5-56.80000114.5L31 Y33 Y37L31-S35 VanDerWaalsContact O-CB 3.24Å; L31-S35 WeakPolarHBondContact O-CB 3.47Å; L31-S35 PolarHBondContact O-N 2.89Å; L31-S35 PolarHBondContact O-OG 3.44Å; Y33-S35 PolarHBondContact O-N 3.18Å; S35-Y37 VanDerWaalsContact C-N 3.35Å; S35-Y37 WeakPolarHBondContact O-CD1 3.39Å; S35-Y37 PolarHBondContact O-N 3.44Å
36N96.6Very high95Very high111 Ų11161.7 Ų61.759%0.59432%0.323SS*.THydrogen-bonded Turntrans59.337.1178.7-57.5-48.1000114.4A32 Y33 E34 F38 K41A32-N36 PolarHBondContact O-N 3.45Å; Y33-N36 PolarHBondContact O-N 3.07Å; E34-N36 PolarHBondContact O-N 3.21Å; N36-F38 PolarHBondContact O-N 3Å; N36-K41 WeakPolarHBondContact OD1-CE 3.38Å; N36-K41 PolarHBondContact OD1-NZ 3.41Å
37Y97.5Very high94.6Very high95 Ų9563.5 Ų63.537%0.37334%0.34SS..  trans-78.5-6.5174.5-61.3-22.4000114A32 S35 H97A32-Y37 HydrophobicContact CB-CD2 3.86Å; A32-Y37 PolarHBondContact O-N 2.98Å; A32-Y37 VanDerWaalsContact O-N 3.16Å; S35-Y37 VanDerWaalsContact C-N 3.35Å; S35-Y37 WeakPolarHBondContact O-CD1 3.39Å; S35-Y37 PolarHBondContact O-N 3.44Å; Y37-H97 AromaticContact CD1-CD2 3.89Å; Y37-H97 HydrophobicContact CD2-CB 3.89Å; Y37-H97 HydrophobicContact CE1-CB 4.39Å; Y37-H97 HydrophobicContact CE2-CB 3.64Å; Y37-H97 HydrophobicContact CG-CB 4.39Å; Y37-H97 AromaticContact CG-CD2 3.69Å
38F97.3Very high94.2Very high16 Ų1661.1 Ų61.17%0.0732%0.324CS..SBendtrans-92152.5174.8-61.1-100.9000110.3W29 A32 Y33 N36 Y40 I116 N117 P120W29-F38 HydrophobicContact CD2-CZ 4.1Å; W29-F38 AromaticContact CE2-CE1 3.9Å; W29-F38 AromaticContact CE2-CZ 3.47Å; W29-F38 VanDerWaalsContact CE2-CZ 3.47Å; W29-F38 HydrophobicContact CG-CZ 4.42Å; W29-F38 HydrophobicContact CH2-CZ 4.49Å; W29-F38 AromaticContact CZ2-CE1 3.86Å; W29-F38 HydrophobicContact CZ2-CE1 3.86Å; W29-F38 AromaticContact CZ2-CZ 3.72Å; W29-F38 HydrophobicContact CZ2-CZ 3.72Å; W29-F38 AromaticContact NE1-CE1 3.76Å; W29-F38 AromaticContact NE1-CZ 3.45Å; A32-F38 HydrophobicContact CB-CE2 4.07Å; Y33-F38 VanDerWaalsContact CA-CE2 3.45Å; Y33-F38 AromaticContact CD2-CD2 3.77Å; Y33-F38 HydrophobicContact CD2-CD2 3.77Å; Y33-F38 AromaticContact CD2-CE2 3.89Å; Y33-F38 HydrophobicContact CD2-CE2 3.89Å; Y33-F38 HydrophobicContact CD2-CG 4.23Å; Y33-F38 HydrophobicContact CD2-CZ 4.39Å; Y33-F38 HydrophobicContact CG-CD2 4.46Å; Y33-F38 HydrophobicContact CG-CE2 4.38Å; N36-F38 PolarHBondContact O-N 3Å; F38-Y40 WeakPolarHBondContact CB-O 3.29Å; F38-Y40 PolarHBondContact O-N 2.92Å; F38-I116 HydrophobicContact CD1-CB 4.47Å; F38-I116 HydrophobicContact CD1-CD1 4.43Å; F38-I116 HydrophobicContact CD2-CD1 4.26Å; F38-I116 HydrophobicContact CE1-CB 3.68Å; F38-I116 HydrophobicContact CE1-CD1 4.34Å; F38-I116 HydrophobicContact CE1-CG1 4.42Å; F38-I116 HydrophobicContact CE1-CG2 4.13Å; F38-I116 HydrophobicContact CE2-CB 4.33Å; F38-I116 HydrophobicContact CE2-CD1 4.11Å; F38-I116 HydrophobicContact CE2-CG2 4.03Å; F38-I116 HydrophobicContact CG-CD1 4.44Å; F38-I116 HydrophobicContact CZ-CB 3.6Å; F38-I116 HydrophobicContact CZ-CD1 4.18Å; F38-I116 HydrophobicContact CZ-CG1 4.44Å; F38-I116 HydrophobicContact CZ-CG2 3.49Å; F38-I116 VanDerWaalsContact CZ-CG2 3.49Å; F38-N117 VanDerWaalsContact CD1-O 3.25Å; F38-N117 WeakPolarHBondContact CD1-O 3.39Å; F38-N117 WeakPolarHBondContact CE1-O 3.12Å; F38-P120 HydrophobicContact CB-CG 4.38Å; F38-P120 HydrophobicContact CD1-CB 4.08Å; F38-P120 HydrophobicContact CD1-CG 3.54Å; F38-P120 HydrophobicContact CE1-CB 4.2Å; F38-P120 HydrophobicContact CE1-CG 4.14Å; F38-P120 HydrophobicContact CG-CG 4.26Å
39R95.9Very high94Very high116 Ų11660.7 Ų60.744%0.43833%0.326SS..SBendtrans-67.1-25.1178.7-67179.1-175.5-176.6-5.7113.1Q70 V118R39-Q70 HydrophobicContact CB-CB 4.43Å; R39-Q70 WeakPolarHBondContact CD-O 3.48Å; R39-Q70 PolarHBondContact NH1-O 2.81Å; R39-V118 WeakPolarHBondContact CB-O 3.38Å; R39-V118 HydrophobicContact CG-CB 4.31Å; R39-V118 HydrophobicContact CG-CG2 4.48Å; R39-V118 PolarHBondContact N-O 3.08Å
40Y94.9Very high93.8Very high16 Ų1663.9 Ų63.96%0.06334%0.34CS..SBendtrans-156.7167.8179.357.1-94.6000109.9F38 I42 D66 R67 Q70 S119 P120F38-Y40 WeakPolarHBondContact CB-O 3.29Å; F38-Y40 PolarHBondContact O-N 2.92Å; Y40-I42 HydrophobicContact CD2-CG2 4.46Å; Y40-I42 HydrophobicContact CE2-CG2 4.02Å; Y40-D66 HydrophobicContact CD1-CB 3.48Å; Y40-D66 VanDerWaalsContact CD1-CB 3.48Å; Y40-D66 HydrophobicContact CD2-CB 3.72Å; Y40-D66 HydrophobicContact CE1-CB 3.93Å; Y40-D66 HydrophobicContact CE2-CB 4.16Å; Y40-D66 HydrophobicContact CG-CB 3.37Å; Y40-R67 WeakPolarHBondContact OH-CA 3.38Å; Y40-R67 VanDerWaalsContact OH-CB 3.3Å; Y40-R67 WeakPolarHBondContact OH-CB 3.49Å; Y40-Q70 HydrophobicContact CD1-CB 3.77Å; Y40-Q70 HydrophobicContact CD1-CG 4.12Å; Y40-Q70 HydrophobicContact CE1-CB 3.87Å; Y40-S119 WeakPolarHBondContact OH-CA 2.89Å; Y40-S119 WeakPolarHBondContact OH-CB 3.25Å; Y40-S119 PolarHBondContact OH-O 3.22Å; Y40-P120 HydrophobicContact CE2-CG 4.17Å; Y40-P120 WeakPolarHBondContact CE2-O 3.41Å; Y40-P120 VanDerWaalsContact CZ-O 3.29Å; Y40-P120 PolarHBondContact OH-O 3.4Å
41K93.3Very high93.7Very high88 Ų8866.8 Ų66.838%0.38335%0.35SS..  trans-98.3143.4175-62.4-70.8179.5156.10109.2Y33 N36Y33-K41 HydrophobicContact CD1-CD 4.25Å; Y33-K41 HydrophobicContact CD2-CD 4.28Å; Y33-K41 HydrophobicContact CE1-CD 3.65Å; Y33-K41 HydrophobicContact CE2-CD 3.66Å; Y33-K41 PolarHBondContact O-NZ 2.71Å; Y33-K41 WeakPolarHBondContact OH-CA 3.36Å; Y33-K41 WeakPolarHBondContact OH-CB 3.45Å; Y33-K41 WeakPolarHBondContact OH-CD 3.44Å; N36-K41 WeakPolarHBondContact OD1-CE 3.38Å; N36-K41 PolarHBondContact OD1-NZ 3.41Å
42I92.4Very high93.7Very high20 Ų2062.9 Ų62.910%0.10333%0.329CS..  trans-92.4153.3172.353.4171.6000110.1W29 Y33 Y40 T44 P120 S122W29-I42 HydrophobicContact CH2-CD1 4.45Å; Y33-I42 HydrophobicContact CE2-CG1 4.26Å; Y33-I42 PolarHBondContact OH-N 2.93Å; Y33-I42 PolarHBondContact OH-O 3.48Å; Y33-I42 VanDerWaalsContact OH-O 3.12Å; Y40-I42 HydrophobicContact CD2-CG2 4.46Å; Y40-I42 HydrophobicContact CE2-CG2 4.02Å; I42-T44 HydrophobicContact CD1-CG2 4.44Å; I42-T44 HydrophobicContact CG1-CG2 4.13Å; I42-T44 PolarHBondContact O-N 3.37Å; I42-P120 HydrophobicContact CG2-CB 4.17Å; I42-P120 HydrophobicContact CG2-CG 3.96Å; I42-P120 WeakPolarHBondContact CG2-O 3.44Å; I42-S122 WeakPolarHBondContact CD1-O 3.36Å
43D87.2Confident93.5Very high60 Ų6066.7 Ų66.732%0.32135%0.354SS..  trans-71.497167.7178.514.7000109.9S45 L46 S47 S48D43-S45 PolarHBondContact O-N 2.9Å; D43-S45 WeakPolarHBondContact OD1-CA 3.48Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.21Å; D43-S45 PolarHBondContact OD1-N 3.02Å; D43-S45 PolarHBondContact OD1-OG 2.91Å; D43-S45 PolarHBondContact OD2-OG 3.23Å; D43-L46 PolarHBondContact O-N 2.86Å; D43-L46 PolarHBondContact OD1-N 3.02Å; D43-L46 PolarHBondContact OD2-N 3.26Å; D43-S47 WeakPolarHBondContact OD2-CB 3.34Å; D43-S47 PolarHBondContact OD2-N 2.85Å; D43-S47 PolarHBondContact OD2-OG 3.08Å; D43-S48 PolarHBondContact OD2-N 2.78Å
44T84.6Confident93.4Very high94 Ų9468 Ų6858%0.57737%0.368SS*.THydrogen-bonded Turntrans-74.5-14.4176.154.90000112.9I42 L46I42-T44 HydrophobicContact CD1-CG2 4.44Å; I42-T44 HydrophobicContact CG1-CG2 4.13Å; I42-T44 PolarHBondContact O-N 3.37Å; T44-L46 VanDerWaalsContact C-N 3.27Å
45S86.7Confident93.2Very high85 Ų8565.1 Ų65.159%0.59437%0.374SS*.THydrogen-bonded Turntrans-78.7-15.7174.777.50000112.6D43 S47D43-S45 PolarHBondContact O-N 2.9Å; D43-S45 WeakPolarHBondContact OD1-CA 3.48Å; D43-S45 VanDerWaalsContact OD1-CB 3.31Å; D43-S45 WeakPolarHBondContact OD1-CB 3.21Å; D43-S45 PolarHBondContact OD1-N 3.02Å; D43-S45 PolarHBondContact OD1-OG 2.91Å; D43-S45 PolarHBondContact OD2-OG 3.23Å; S45-S47 PolarHBondContact O-N 2.78Å; S45-S47 WeakPolarHBondContact OG-CB 2.93Å; S45-S47 PolarHBondContact OG-N 3.43Å
46L87.9Confident92.8Very high64 Ų6470.2 Ų70.234%0.33540%0.397SS..  trans58.827.2-177.7-55.1161.2000112.7D43 T44 S48 A49 L62 P184D43-L46 PolarHBondContact O-N 2.86Å; D43-L46 PolarHBondContact OD1-N 3.02Å; D43-L46 PolarHBondContact OD2-N 3.26Å; T44-L46 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 2.85Å; L46-A49 HydrophobicContact CB-CB 4Å; L46-A49 VanDerWaalsContact O-CB 3.3Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 2.76Å; L46-L62 HydrophobicContact CD2-CD1 4.11Å; L46-P184 HydrophobicContact CD1-CB 3.59Å; L46-P184 HydrophobicContact CD1-CG 4.06Å; L46-P184 HydrophobicContact CD2-CB 4.06Å; L46-P184 HydrophobicContact CD2-CG 3.61Å; L46-P184 HydrophobicContact CG-CB 4.47Å; L46-P184 HydrophobicContact CG-CG 4.49Å
47S89.6Confident92.7Very high99 Ų9966.2 Ų66.269%0.69238%0.377SS*.THydrogen-bonded Turntrans-60.9-31.8-177.564.30000112.9D43 S45D43-S47 WeakPolarHBondContact OD2-CB 3.34Å; D43-S47 PolarHBondContact OD2-N 2.85Å; D43-S47 PolarHBondContact OD2-OG 3.08Å; S45-S47 PolarHBondContact O-N 2.78Å; S45-S47 WeakPolarHBondContact OG-CB 2.93Å; S45-S47 PolarHBondContact OG-N 3.43Å
48S90.8Very high92.6Very high25 Ų2563.5 Ų63.518%0.17537%0.369CS..THydrogen-bonded Turntrans-91.7-2.4176.860.70000113.9D43 L46 P63D43-S48 PolarHBondContact OD2-N 2.78Å; L46-S48 PolarHBondContact O-N 2.85Å; S48-P63 WeakPolarHBondContact O-CD 3.44Å; S48-P63 VanDerWaalsContact O-CG 3.31Å; S48-P63 WeakPolarHBondContact O-CG 3.23Å
49A94.2Very high92.6Very high32 Ų3262.8 Ų62.826%0.26437%0.365SS..  trans-72.7134.3-179.700000110.8L46 L60 I61 L62L46-A49 HydrophobicContact CB-CB 4Å; L46-A49 VanDerWaalsContact O-CB 3.3Å; L46-A49 WeakPolarHBondContact O-CB 3.36Å; L46-A49 PolarHBondContact O-N 2.76Å; A49-L60 HydrophobicContact CB-CD1 4.11Å; A49-I61 WeakPolarHBondContact CA-O 3.19Å; A49-L62 HydrophobicContact CB-CD1 4.03Å
50K95.1Very high92.7Very high67 Ų6757.8 Ų57.829%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-115.5136.3177.9174.2179.5170-170.90109.9I52 I61 A302 C303 L305K50-I52 HydrophobicContact CG-CG2 4.36Å; K50-I61 HydrophobicContact CB-CB 4.26Å; K50-I61 HydrophobicContact CD-CD1 4.16Å; K50-I61 HydrophobicContact CG-CD1 4.36Å; K50-I61 PolarHBondContact N-O 3.32Å; K50-I61 PolarHBondContact O-N 3.41Å; K50-A302 WeakPolarHBondContact CD-O 3.5Å; K50-A302 PolarHBondContact NZ-O 2.91Å; K50-C303 PolarHBondContact NZ-O 3.32Å; K50-L305 PolarHBondContact NZ-O 3.38Å
51K96.2Very high92.8Very high98 Ų9857 Ų5743%0.42634%0.344SS..EExtended strand (participates in β ladder)trans-108.7130.9174.2-174.4172.9-179.4165.30110.3N58 E185K51-N58 WeakPolarHBondContact CE-OD1 3.31Å; K51-E185 WeakPolarHBondContact CE-OE2 3.36Å; K51-E185 IonicContact NZ-OE1 2.77Å; K51-E185 IonicContact NZ-OE2 3.8Å; K51-E185 PolarHBondContact NZ-OE2 3.43Å
52I96.9Very high92.9Very high17 Ų1753.4 Ų53.49%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-121.2145.5171.662.5178.8000108.8K50 I59 I61 V310K50-I52 HydrophobicContact CG-CG2 4.36Å; I52-I59 HydrophobicContact CD1-CB 4.17Å; I52-I59 HydrophobicContact CD1-CG2 4.17Å; I52-I59 HydrophobicContact CG1-CB 3.73Å; I52-I59 HydrophobicContact CG1-CG2 4.14Å; I52-I59 PolarHBondContact N-O 2.93Å; I52-I59 PolarHBondContact O-N 3.38Å; I52-I61 HydrophobicContact CD1-CD1 3.86Å; I52-I61 HydrophobicContact CD1-CG1 4.38Å; I52-I61 HydrophobicContact CG1-CD1 4.29Å; I52-I61 HydrophobicContact CG2-CD1 4.01Å; I52-V310 HydrophobicContact CD1-CB 4.37Å; I52-V310 HydrophobicContact CD1-CG2 3.83Å
53C95.1Very high92.9Very high84 Ų8453 Ų5357%0.56833%0.328SS*.EExtended strand (participates in β ladder)trans-141.6151.5-175.759.10000112.2V57 N58C53-V57 WeakPolarHBondContact CA-O 3.37Å; C53-N58 WeakPolarHBondContact CB-OD1 3.4Å
54S95.5Very high93.2Very high61 Ų6150.9 Ų50.943%0.42732%0.317SS..EExtended strand (participates in β ladder)trans-140.5117.5165-176.10000108.5N56 V57 F307S54-N56 PolarHBondContact O-N 2.71Å; S54-V57 PolarHBondContact N-O 2.75Å; S54-V57 PolarHBondContact O-N 3.1Å; S54-F307 VanDerWaalsContact CB-CD1 3.41Å; S54-F307 VanDerWaalsContact CB-CZ 3.49Å
55G91.5Very high93.4Very high71 Ų7151.1 Ų51.173%0.73231%0.314SS*.THydrogen-bonded Turntrans54-125.4-168.200000111.6
56N89.5Confident93.5Very high156 Ų15650.2 Ų50.283%0.83430%0.303SS*.THydrogen-bonded Turntrans-881.1179.6-66.6-26.3000114S54S54-N56 PolarHBondContact O-N 2.71Å
57V94.7Very high93.5Very high26 Ų2648.6 Ų48.616%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-92.1119.8-179.2-177.30000109.5C53 S54 R188 F307C53-V57 WeakPolarHBondContact CA-O 3.37Å; S54-V57 PolarHBondContact N-O 2.75Å; S54-V57 PolarHBondContact O-N 3.1Å; V57-R188 HydrophobicContact CG1-CB 4.38Å; V57-R188 HydrophobicContact CG1-CG 3.88Å; V57-F307 HydrophobicContact CB-CE2 4.05Å; V57-F307 HydrophobicContact CB-CZ 4.15Å; V57-F307 HydrophobicContact CG1-CE2 3.82Å; V57-F307 HydrophobicContact CG1-CZ 4.03Å
58N94.8Very high93.2Very high38 Ų3844.5 Ų44.520%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-106.2138.6174.1-65.7-55.3000110.4K51 C53K51-N58 WeakPolarHBondContact CE-OD1 3.31Å; C53-N58 WeakPolarHBondContact CB-OD1 3.4Å
59I97.8Very high92.9Very high1 Ų146.6 Ų46.61%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-125.4129.4171.7-61.7172.3000107.7I52 G292 M294 F307 V310I52-I59 HydrophobicContact CD1-CB 4.17Å; I52-I59 HydrophobicContact CD1-CG2 4.17Å; I52-I59 HydrophobicContact CG1-CB 3.73Å; I52-I59 HydrophobicContact CG1-CG2 4.14Å; I52-I59 PolarHBondContact N-O 2.93Å; I52-I59 PolarHBondContact O-N 3.38Å; I59-G292 WeakPolarHBondContact CA-O 3.37Å; I59-M294 HydrophobicContact CG2-CE 3.89Å; I59-M294 HydrophobicContact CG2-CG 3.8Å; I59-F307 HydrophobicContact CD1-CD2 3.9Å; I59-F307 HydrophobicContact CD1-CE2 3.74Å; I59-F307 HydrophobicContact CG1-CE2 4.28Å; I59-V310 HydrophobicContact CD1-CB 4.36Å; I59-V310 HydrophobicContact CD1-CG1 3.83Å; I59-V310 HydrophobicContact CG2-CG1 4.32Å
60L97.6Very high92.4Very high11 Ų1149.2 Ų49.26%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-92.4131.2174.4-177.663.8000108.8A49 P184 G292 M293 M294A49-L60 HydrophobicContact CB-CD1 4.11Å; L60-P184 HydrophobicContact CD2-CB 3.93Å; L60-P184 HydrophobicContact CD2-CG 3.83Å; L60-G292 PolarHBondContact N-O 2.63Å; L60-M293 HydrophobicContact CB-CG 4.38Å; L60-M293 HydrophobicContact CD2-CG 4.03Å; L60-M293 HydrophobicContact CD2-SD 4.04Å; L60-M293 HydrophobicContact CG-CG 4.38Å; L60-M293 CarbonylContact O-C 3.48Å; L60-M293 WeakPolarHBondContact O-CA 3.44Å; L60-M294 PolarHBondContact O-N 2.91Å
61I96.8Very high91.9Very high0 Ų047.8 Ų47.80%028%0.276CS..EExtended strand (participates in β ladder)trans-109.9124.6169.4-58.6163.9000107.3A49 K50 I52 M294 V296 A302 L305A49-I61 WeakPolarHBondContact CA-O 3.19Å; K50-I61 HydrophobicContact CB-CB 4.26Å; K50-I61 HydrophobicContact CD-CD1 4.16Å; K50-I61 HydrophobicContact CG-CD1 4.36Å; K50-I61 PolarHBondContact N-O 3.32Å; K50-I61 PolarHBondContact O-N 3.41Å; I52-I61 HydrophobicContact CD1-CD1 3.86Å; I52-I61 HydrophobicContact CD1-CG1 4.38Å; I52-I61 HydrophobicContact CG1-CD1 4.29Å; I52-I61 HydrophobicContact CG2-CD1 4.01Å; I61-M294 CarbonylContact C-O 3.59Å; I61-M294 WeakPolarHBondContact CA-O 3.37Å; I61-M294 HydrophobicContact CB-CB 4.49Å; I61-M294 HydrophobicContact CG1-CB 4.15Å; I61-M294 HydrophobicContact CG1-CG 4.35Å; I61-M294 HydrophobicContact CG2-CB 4.47Å; I61-V296 HydrophobicContact CG2-CG1 3.96Å; I61-V296 HydrophobicContact CG2-CG2 3.72Å; I61-A302 HydrophobicContact CG2-CB 3.52Å; I61-L305 HydrophobicContact CD1-CB 3.67Å; I61-L305 HydrophobicContact CD1-CD1 4.28Å; I61-L305 HydrophobicContact CG1-CD1 4.48Å; I61-L305 HydrophobicContact CG2-CD1 4.34Å
62L95.4Very high91.2Very high12 Ų1245.3 Ų45.36%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-124.798.2-173.7-170.361.7000110.3L46 A49 F121 M293 M294 V295 V296L46-L62 HydrophobicContact CD2-CD1 4.11Å; A49-L62 HydrophobicContact CB-CD1 4.03Å; L62-F121 WeakPolarHBondContact CD2-O 3.44Å; L62-M293 HydrophobicContact CD2-SD 4.44Å; L62-M294 PolarHBondContact N-O 2.88Å; L62-V295 WeakPolarHBondContact O-CA 3.21Å; L62-V296 PolarHBondContact O-N 3.24Å
63P94Very high90.4Very high12 Ų1252.7 Ų52.78%0.07830%0.296CS..EExtended strand (participates in β ladder)trans-59.1139.3170.8-26.537.4000112.6S48 V296 E299 A302S48-P63 WeakPolarHBondContact O-CD 3.44Å; S48-P63 VanDerWaalsContact O-CG 3.31Å; S48-P63 WeakPolarHBondContact O-CG 3.23Å; P63-V296 CarbonylContact C-O 3.56Å; P63-V296 WeakPolarHBondContact CA-O 2.85Å; P63-V296 HydrophobicContact CB-CG2 4.41Å; P63-V296 HydrophobicContact CG-CG2 4.24Å; P63-E299 HydrophobicContact CB-CG 3.96Å; P63-E299 HydrophobicContact CG-CG 3.83Å; P63-A302 HydrophobicContact CG-CB 3.82Å
64N92.7Very high89.8Confident16 Ų1649.9 Ų49.99%0.08628%0.277CS..  trans-150.592.2173.4-166.6-41.4000111.4D66 R67 P120 V295 V296 V297N64-D66 PolarHBondContact O-N 3.28Å; N64-D66 PolarHBondContact OD1-N 3.49Å; N64-R67 HydrophobicContact CB-CB 3.91Å; N64-R67 VanDerWaalsContact CG-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.49Å; N64-R67 VanDerWaalsContact OD1-CB 3.26Å; N64-R67 WeakPolarHBondContact OD1-CB 3.44Å; N64-R67 PolarHBondContact OD1-N 2.86Å; N64-P120 PolarHBondContact ND2-O 3.24Å; N64-V295 HydrophobicContact CB-CG1 4.38Å; N64-V296 PolarHBondContact N-O 2.83Å; N64-V297 CarbonylContact C-O 3.09Å; N64-V297 VanDerWaalsContact O-O 3.08Å
65N89Confident89.2Confident98 Ų9849.7 Ų49.752%0.52427%0.269SS..THydrogen-bonded Turntrans-57.8-34.4-175-62.4-28.1000112.9V297 N298N65-V297 WeakPolarHBondContact CA-O 3.35Å; N65-V297 PolarHBondContact N-O 3.39Å; N65-V297 PolarHBondContact OD1-O 3.12Å; N65-N298 WeakPolarHBondContact OD1-CA 3.48Å; N65-N298 WeakPolarHBondContact OD1-CB 3.48Å
66D89.4Confident88.8Confident67 Ų6751 Ų5136%0.35826%0.264SS..THydrogen-bonded Turntrans-88-31.8-175-63.3-57.6000112.7Y40 N64 F68 S69 Q70Y40-D66 HydrophobicContact CD1-CB 3.48Å; Y40-D66 VanDerWaalsContact CD1-CB 3.48Å; Y40-D66 HydrophobicContact CD2-CB 3.72Å; Y40-D66 HydrophobicContact CE1-CB 3.93Å; Y40-D66 HydrophobicContact CE2-CB 4.16Å; Y40-D66 HydrophobicContact CG-CB 3.37Å; N64-D66 PolarHBondContact O-N 3.28Å; N64-D66 PolarHBondContact OD1-N 3.49Å; D66-F68 VanDerWaalsContact C-N 3.31Å; D66-F68 PolarHBondContact O-N 3.36Å; D66-S69 PolarHBondContact O-N 3.24Å; D66-S69 PolarHBondContact O-OG 3.18Å; D66-S69 VanDerWaalsContact O-OG 3.07Å; D66-Q70 HydrophobicContact CB-CG 4.13Å; D66-Q70 WeakPolarHBondContact O-CA 3.49Å; D66-Q70 WeakPolarHBondContact O-CB 3.33Å; D66-Q70 VanDerWaalsContact O-CG 3.28Å; D66-Q70 WeakPolarHBondContact O-CG 3.46Å; D66-Q70 PolarHBondContact O-N 3.32Å
67R87.4Confident88.9Confident29 Ų2944.6 Ų44.611%0.10923%0.229CC..Hα-helixtrans-56.9-43.2-169.7176.9171-177.167.92.6113.3Y40 N64 R71 S119Y40-R67 WeakPolarHBondContact OH-CA 3.38Å; Y40-R67 VanDerWaalsContact OH-CB 3.3Å; Y40-R67 WeakPolarHBondContact OH-CB 3.49Å; N64-R67 HydrophobicContact CB-CB 3.91Å; N64-R67 VanDerWaalsContact CG-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.49Å; N64-R67 VanDerWaalsContact OD1-CB 3.26Å; N64-R67 WeakPolarHBondContact OD1-CB 3.44Å; N64-R67 PolarHBondContact OD1-N 2.86Å; R67-R71 WeakPolarHBondContact O-CB 3.29Å; R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.49Å; R67-S119 PolarHBondContact NH1-O 3.45Å
68F83.7Confident88.8Confident14 Ų1452.1 Ų52.16%0.06126%0.26CS..Hα-helixtrans-77-28.3-170.8-66.5-94.2000112.6D66 L274 Y284 V295 V296 V297D66-F68 VanDerWaalsContact C-N 3.31Å; D66-F68 PolarHBondContact O-N 3.36Å; F68-L274 HydrophobicContact CD1-CB 4.09Å; F68-L274 HydrophobicContact CD1-CD1 3.81Å; F68-L274 HydrophobicContact CE1-CD1 3.61Å; F68-Y284 HydrophobicContact CD1-CE2 4.06Å; F68-Y284 HydrophobicContact CE1-CD2 4.09Å; F68-Y284 AromaticContact CE1-CE2 3.99Å; F68-Y284 HydrophobicContact CE1-CE2 3.99Å; F68-V295 HydrophobicContact CE2-CG1 4.34Å; F68-V295 HydrophobicContact CZ-CG1 4.39Å; F68-V295 WeakPolarHBondContact CZ-O 3.43Å; F68-V296 WeakPolarHBondContact CE2-O 3.39Å; F68-V297 HydrophobicContact CB-CG2 4.08Å; F68-V297 HydrophobicContact CD1-CG2 3.87Å; F68-V297 HydrophobicContact CD2-CB 4.12Å; F68-V297 HydrophobicContact CD2-CG2 3.68Å; F68-V297 HydrophobicContact CE1-CG2 4.21Å; F68-V297 HydrophobicContact CE2-CB 4.43Å; F68-V297 HydrophobicContact CE2-CG2 4.05Å; F68-V297 HydrophobicContact CG-CB 4.46Å; F68-V297 HydrophobicContact CG-CG2 3.58Å; F68-V297 HydrophobicContact CZ-CG2 4.29Å
69S83.4Confident88.8Confident69 Ų6951.8 Ų51.848%0.48326%0.26SS..Hα-helixtrans-88.2-34.9175.157.80000112.5D66D66-S69 PolarHBondContact O-N 3.24Å; D66-S69 PolarHBondContact O-OG 3.18Å; D66-S69 VanDerWaalsContact O-OG 3.07Å
70Q84.3Confident88.7Confident87 Ų8751.8 Ų51.841%0.40726%0.26SS..Hα-helixtrans-97-11.8-173-61.2-65.1-22.900114.2R39 Y40 D66 S119R39-Q70 HydrophobicContact CB-CB 4.43Å; R39-Q70 WeakPolarHBondContact CD-O 3.48Å; R39-Q70 PolarHBondContact NH1-O 2.81Å; Y40-Q70 HydrophobicContact CD1-CB 3.77Å; Y40-Q70 HydrophobicContact CD1-CG 4.12Å; Y40-Q70 HydrophobicContact CE1-CB 3.87Å; D66-Q70 HydrophobicContact CB-CG 4.13Å; D66-Q70 WeakPolarHBondContact O-CA 3.49Å; D66-Q70 WeakPolarHBondContact O-CB 3.33Å; D66-Q70 VanDerWaalsContact O-CG 3.28Å; D66-Q70 WeakPolarHBondContact O-CG 3.46Å; D66-Q70 PolarHBondContact O-N 3.32Å; Q70-S119 PolarHBondContact O-OG 2.9Å
71R84.4Confident88.7Confident36 Ų3653.8 Ų53.814%0.13627%0.271CS..SBendtrans-69.5157.5175.270.9-176.8-169.8144.87.7111.7R67 K73 S119 Y284R67-R71 WeakPolarHBondContact O-CB 3.29Å; R67-R71 WeakPolarHBondContact O-CG 3.39Å; R67-R71 PolarHBondContact O-N 3.49Å; R71-K73 PolarHBondContact O-N 3.49Å; R71-S119 WeakPolarHBondContact CA-OG 3.37Å; R71-Y284 VanDerWaalsContact CZ-CE2 3.42Å; R71-Y284 PolarHBondContact NH2-OH 2.81Å; R71-Y284 VanDerWaalsContact NH2-OH 3.07Å
72R81.8Confident88.6Confident47 Ų4755.4 Ų55.418%0.17728%0.28CS..PPolyproline II helixtrans-55.4129.6169.4-64.7-178.8180109.50.2108.7F89 E98R72-F89 VanDerWaalsContact CZ-CZ 3.49Å; R72-E98 IonicContact NH2-OE1 3.95Å; R72-E98 IonicContact NH2-OE2 2.74Å; R72-E98 PolarHBondContact NH2-OE2 3.01Å
73K80.3Confident88.4Confident172 Ų17261.8 Ų61.875%0.74831%0.309SS*.PPolyproline II helixtrans-59.8127.7178.9-174177.3178.9179.70108.9R71 Q75R71-K73 PolarHBondContact O-N 3.49Å; K73-Q75 PolarHBondContact O-N 2.69Å
74P81Confident88Confident25 Ų2563.6 Ų63.616%0.16232%0.318CS..PPolyproline II helixtrans-57.6138.3175-23.933.1000111.4T271P74-T271 HydrophobicContact CB-CG2 3.95Å
75Q83Confident87.6Confident57 Ų5766.2 Ų66.227%0.26634%0.337SS..PPolyproline II helixtrans-82.1144.2171-60173.8-58.100109.5K73 F77 S172K73-Q75 PolarHBondContact O-N 2.69Å; Q75-F77 HydrophobicContact CB-CE1 3.76Å; Q75-F77 HydrophobicContact CB-CE2 4.3Å; Q75-F77 HydrophobicContact CB-CZ 3.61Å; Q75-F77 WeakPolarHBondContact O-CD2 3.19Å; Q75-F77 WeakPolarHBondContact O-CE2 3.36Å; Q75-S172 PolarHBondContact N-O 3.11Å
76P85Confident87.2Confident98 Ų9866.4 Ų66.464%0.63635%0.346SS*.PPolyproline II helixtrans-72.4138.7169.630.7-33.2000109.9
77F90.7Very high87Confident22 Ų2271.4 Ų71.410%0.09637%0.368CS..  trans-125.2151178.5-55.9-63.5000110.7Q75 D82 L167 L168 N174Q75-F77 HydrophobicContact CB-CE1 3.76Å; Q75-F77 HydrophobicContact CB-CE2 4.3Å; Q75-F77 HydrophobicContact CB-CZ 3.61Å; Q75-F77 WeakPolarHBondContact O-CD2 3.19Å; Q75-F77 WeakPolarHBondContact O-CE2 3.36Å; F77-D82 WeakPolarHBondContact CA-OD2 3.38Å; F77-D82 WeakPolarHBondContact CB-OD2 3.43Å; F77-D82 HydrophobicContact CD1-CB 4.38Å; F77-L167 HydrophobicContact CB-CB 4.46Å; F77-L167 HydrophobicContact CD1-CD1 4.13Å; F77-L167 HydrophobicContact CD1-CD2 3.98Å; F77-L167 HydrophobicContact CD2-CB 4.35Å; F77-L167 HydrophobicContact CD2-CD2 3.77Å; F77-L167 HydrophobicContact CE1-CD2 3.82Å; F77-L167 HydrophobicContact CE2-CD2 3.57Å; F77-L167 HydrophobicContact CG-CB 4.32Å; F77-L167 HydrophobicContact CG-CD1 4.32Å; F77-L167 HydrophobicContact CG-CD2 3.95Å; F77-L167 HydrophobicContact CG-CG 4.44Å; F77-L167 HydrophobicContact CZ-CD2 3.58Å; F77-L168 HydrophobicContact CB-CD2 3.95Å; F77-L168 WeakPolarHBondContact O-CD2 3.5Å; F77-N174 HydrophobicContact CE1-CB 3.78Å; F77-N174 HydrophobicContact CZ-CB 4.2Å
78K92.7Very high86.9Confident184 Ų18470.5 Ų70.580%0.837%0.366SS*.SBendtrans-105.9-29.8-179.3-62.9179.2-177.5177.40112.5D82K78-D82 PolarHBondContact N-OD2 3.06Å
79S95.4Very high87.2Confident30 Ų3072.2 Ų72.221%0.2137%0.373CS..SBendtrans-135.2163.2177.9168.80000110.3N81 D82 Q242S79-N81 PolarHBondContact O-N 3.32Å; S79-N81 PolarHBondContact OG-N 3.25Å; S79-N81 VanDerWaalsContact OG-N 3.14Å; S79-D82 WeakPolarHBondContact CB-OD1 3.41Å; S79-D82 PolarHBondContact N-OD1 3.41Å; S79-Q242 PolarHBondContact OG-OE1 3.23Å
80I95.7Very high87.7Confident1 Ų169.8 Ų69.81%0.00536%0.355CS..THydrogen-bonded Turntrans-64.5-15.3169.864.8162.7000113F139 L168 Q239 A244I80-F139 HydrophobicContact CD1-CE2 4.07Å; I80-F139 HydrophobicContact CG1-CE2 4.35Å; I80-L168 HydrophobicContact CG2-CB 4.4Å; I80-L168 HydrophobicContact CG2-CD1 4Å; I80-L168 HydrophobicContact CG2-CG 4.38Å; I80-Q239 HydrophobicContact CD1-CB 4.32Å; I80-Q239 HydrophobicContact CD1-CG 4.36Å; I80-A244 HydrophobicContact CG2-CB 4.39Å
81N96.3Very high88.2Confident53 Ų5365.8 Ų65.828%0.28334%0.336SS..THydrogen-bonded Turntrans-128.239.7-176-166.620.1000112.1S79 Q83 N137 F139S79-N81 PolarHBondContact O-N 3.32Å; S79-N81 PolarHBondContact OG-N 3.25Å; S79-N81 VanDerWaalsContact OG-N 3.14Å; N81-Q83 PolarHBondContact O-N 3.11Å; N81-Q83 PolarHBondContact O-NE2 3.35Å; N81-N137 PolarHBondContact OD1-ND2 3.38Å; N81-F139 HydrophobicContact CB-CD2 3.55Å; N81-F139 HydrophobicContact CB-CE2 3.73Å; N81-F139 HydrophobicContact CB-CG 4.13Å; N81-F139 HydrophobicContact CB-CZ 4.44Å; N81-F139 WeakPolarHBondContact OD1-CB 3.31Å; N81-F139 VanDerWaalsContact OD1-CG 3.31Å; N81-F139 WeakPolarHBondContact OD1-CG 3.29Å
82D94.2Very high88.7Confident35 Ų3566.4 Ų66.419%0.18734%0.342CS..PPolyproline II helixtrans-56.8141.5173-790.1000110.4F77 K78 S79 N137 L167 N174F77-D82 WeakPolarHBondContact CA-OD2 3.38Å; F77-D82 WeakPolarHBondContact CB-OD2 3.43Å; F77-D82 HydrophobicContact CD1-CB 4.38Å; K78-D82 PolarHBondContact N-OD2 3.06Å; S79-D82 WeakPolarHBondContact CB-OD1 3.41Å; S79-D82 PolarHBondContact N-OD1 3.41Å; D82-N137 PolarHBondContact O-ND2 3.19Å; D82-N137 VanDerWaalsContact O-ND2 3.14Å; D82-L167 HydrophobicContact CB-CD1 3.82Å; D82-N174 PolarHBondContact O-ND2 2.94Å
83Q91.5Very high89.3Confident145 Ų14571.1 Ų71.168%0.67836%0.36SS*.PPolyproline II helixtrans-76.4149.1-179.6-63.3-58.7-57.600111.4N81 N174N81-Q83 PolarHBondContact O-N 3.11Å; N81-Q83 PolarHBondContact O-NE2 3.35Å; Q83-N174 PolarHBondContact O-ND2 2.86Å
84L86.4Confident90Very high51 Ų5163.7 Ų63.727%0.26733%0.329SS..PPolyproline II helixtrans-70.3128.9172.1-92.1164.9000110.2S88 C135 N137 N174L84-S88 VanDerWaalsContact CD2-OG 3.25Å; L84-S88 WeakPolarHBondContact CD2-OG 3.45Å; L84-C135 HydrophobicContact CD1-CB 4.3Å; L84-C135 WeakPolarHBondContact CD1-O 3.47Å; L84-N137 HydrophobicContact CD1-CB 3.98Å; L84-N137 HydrophobicContact CG-CB 3.96Å; L84-N174 HydrophobicContact CD2-CB 4.44Å; L84-N174 WeakPolarHBondContact CD2-O 3.4Å; L84-N174 VanDerWaalsContact CG-O 3.23Å; L84-N174 WeakPolarHBondContact CG-O 3.44Å
85S84.8Confident90.8Very high70 Ų7065.3 Ų65.349%0.4934%0.34SS..PPolyproline II helixtrans-89.8148.5166.973.30000110.1E87 S88S85-E87 PolarHBondContact O-N 2.72Å; S85-S88 WeakPolarHBondContact O-CB 3.36Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 PolarHBondContact O-OG 3.12Å; S85-S88 WeakPolarHBondContact OG-CB 3.44Å; S85-S88 PolarHBondContact OG-N 3.27Å; S85-S88 VanDerWaalsContact OG-N 3.17Å
86S80.8Confident91.4Very high102 Ų10271.8 Ų71.871%0.71337%0.367SS*.THydrogen-bonded Turntrans-58.6-28.3176.252.30000112.8R93S86-R93 PolarHBondContact O-NH1 3.06Å; S86-R93 VanDerWaalsContact O-NH1 3.12Å; S86-R93 PolarHBondContact O-NH2 3.4Å
87E84.5Confident92Very high172 Ų17271.2 Ų71.280%0.80436%0.355SS*.THydrogen-bonded Turntrans-84.4-15.4179-63.3178.4-178.600112.9S85S85-E87 PolarHBondContact O-N 2.72Å
88S85.8Confident92.3Very high10 Ų1070.9 Ų70.97%0.0735%0.354CS..SBendtrans-67.1155.6-178.668.30000112.7L84 S85 R93L84-S88 VanDerWaalsContact CD2-OG 3.25Å; L84-S88 WeakPolarHBondContact CD2-OG 3.45Å; S85-S88 WeakPolarHBondContact O-CB 3.36Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 PolarHBondContact O-OG 3.12Å; S85-S88 WeakPolarHBondContact OG-CB 3.44Å; S85-S88 PolarHBondContact OG-N 3.27Å; S85-S88 VanDerWaalsContact OG-N 3.17Å; S88-R93 PolarHBondContact O-NH1 3.34Å
89F89.9Confident92.6Very high50 Ų5065.1 Ų65.122%0.21933%0.329CS..  trans-59.7138.1172.2170.9-91.7000110.8R72 F91 V94 V173R72-F89 VanDerWaalsContact CZ-CZ 3.49Å; F89-F91 AromaticContact CE1-CD1 3.73Å; F89-F91 HydrophobicContact CE1-CD1 3.73Å; F89-F91 AromaticContact CE1-CE1 3.54Å; F89-F91 HydrophobicContact CE1-CE1 3.54Å; F89-F91 HydrophobicContact CE1-CE2 4.43Å; F89-F91 HydrophobicContact CE1-CG 4.26Å; F89-F91 AromaticContact CE1-CZ 3.91Å; F89-F91 HydrophobicContact CE1-CZ 3.91Å; F89-F91 AromaticContact CZ-CD1 3.64Å; F89-F91 HydrophobicContact CZ-CD1 3.64Å; F89-F91 AromaticContact CZ-CE1 3.7Å; F89-F91 HydrophobicContact CZ-CE1 3.7Å; F89-F91 HydrophobicContact CZ-CG 4.42Å; F89-V94 HydrophobicContact CE2-CG1 3.78Å; F89-V94 HydrophobicContact CZ-CG1 3.75Å; F89-V173 HydrophobicContact CD1-CB 3.87Å; F89-V173 HydrophobicContact CD1-CG1 3.67Å; F89-V173 HydrophobicContact CD1-CG2 4.16Å; F89-V173 HydrophobicContact CE1-CB 4.37Å; F89-V173 HydrophobicContact CE1-CG1 4.14Å; F89-V173 HydrophobicContact CE1-CG2 4.18Å; F89-V173 HydrophobicContact CG-CG1 4.42Å
90N93.1Very high92.7Very high19 Ų1964.2 Ų64.210%0.10232%0.322CS..  trans-142.7163.3165.767.474.9000109.8N92 R93N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.63Å; N90-N92 WeakPolarHBondContact OD1-CB 3.36Å; N90-N92 PolarHBondContact OD1-N 3.02Å; N90-R93 WeakPolarHBondContact ND2-CD 3.37Å; N90-R93 PolarHBondContact ND2-NE 3.3Å; N90-R93 PolarHBondContact O-N 3.18Å; N90-R93 PolarHBondContact OD1-N 2.78Å
91F95.8Very high92.8Very high2 Ų264.3 Ų64.31%0.00932%0.323CS..G310 helixtrans-78.2-14.3-172-67.7-65.4000112F89 R93 V94 F99 L115 L127 V129 V132 V173 H175 H177F89-F91 AromaticContact CE1-CD1 3.73Å; F89-F91 HydrophobicContact CE1-CD1 3.73Å; F89-F91 AromaticContact CE1-CE1 3.54Å; F89-F91 HydrophobicContact CE1-CE1 3.54Å; F89-F91 HydrophobicContact CE1-CE2 4.43Å; F89-F91 HydrophobicContact CE1-CG 4.26Å; F89-F91 AromaticContact CE1-CZ 3.91Å; F89-F91 HydrophobicContact CE1-CZ 3.91Å; F89-F91 AromaticContact CZ-CD1 3.64Å; F89-F91 HydrophobicContact CZ-CD1 3.64Å; F89-F91 AromaticContact CZ-CE1 3.7Å; F89-F91 HydrophobicContact CZ-CE1 3.7Å; F89-F91 HydrophobicContact CZ-CG 4.42Å; F91-R93 PolarHBondContact O-N 2.74Å; F91-V94 HydrophobicContact CD1-CG1 4.34Å; F91-V94 VanDerWaalsContact O-CG2 3.28Å; F91-V94 WeakPolarHBondContact O-CG2 3.18Å; F91-V94 PolarHBondContact O-N 2.9Å; F91-F99 WeakPolarHBondContact O-CZ 3.38Å; F91-L115 HydrophobicContact CB-CD2 4.1Å; F91-L115 HydrophobicContact CD1-CD2 4.14Å; F91-L115 HydrophobicContact CG-CD2 4.39Å; F91-L127 HydrophobicContact CD1-CD1 4.22Å; F91-L127 HydrophobicContact CE1-CD1 3.38Å; F91-L127 HydrophobicContact CZ-CD1 3.69Å; F91-V129 HydrophobicContact CD2-CG1 4.03Å; F91-V129 HydrophobicContact CD2-CG2 3.79Å; F91-V129 HydrophobicContact CE2-CG2 4.21Å; F91-V129 HydrophobicContact CG-CG2 4.22Å; F91-V132 HydrophobicContact CB-CG2 4.03Å; F91-V173 HydrophobicContact CE2-CG2 4.25Å; F91-V173 HydrophobicContact CZ-CG2 3.93Å; F91-H175 HydrophobicContact CD2-CB 4.12Å; F91-H175 AromaticContact CD2-CE1 3.67Å; F91-H175 AromaticContact CD2-CG 3.67Å; F91-H175 AromaticContact CD2-ND1 3.12Å; F91-H175 WeakPolarHBondContact CD2-ND1 3.44Å; F91-H175 HydrophobicContact CE2-CB 4.14Å; F91-H175 AromaticContact CE2-ND1 4Å; F91-H175 AromaticContact CG-ND1 3.68Å; F91-H175 PolarHBondContact N-CE1 2.8Å; F91-H175 PolarHBondContact N-ND1 3.38Å; F91-H177 HydrophobicContact CE2-CB 3.73Å; F91-H177 AromaticContact CE2-CG 3.83Å; F91-H177 AromaticContact CE2-ND1 3.88Å; F91-H177 HydrophobicContact CZ-CB 4.25Å
92N94.5Very high92.9Very high49 Ų4964 Ų6426%0.26232%0.321SS..G310 helixtrans-74.1-11.6172.4-57.2-48.2000112.4N90 V132 C135N90-N92 VanDerWaalsContact C-N 3.28Å; N90-N92 PolarHBondContact O-N 2.63Å; N90-N92 WeakPolarHBondContact OD1-CB 3.36Å; N90-N92 PolarHBondContact OD1-N 3.02Å; N92-V132 PolarHBondContact ND2-O 3.49Å; N92-V132 WeakPolarHBondContact OD1-CG2 3.1Å; N92-V132 PolarHBondContact OD1-O 3.19Å; N92-C135 PolarHBondContact ND2-SG 3.16Å
93R94.3Very high93.1Very high147 Ų14762.5 Ų62.556%0.55531%0.313SS*.G310 helixtrans-93.5-2.7177.3-66.8179.5176.2169.91.9114S86 S88 N90 F91S86-R93 PolarHBondContact O-NH1 3.06Å; S86-R93 VanDerWaalsContact O-NH1 3.12Å; S86-R93 PolarHBondContact O-NH2 3.4Å; S88-R93 PolarHBondContact O-NH1 3.34Å; N90-R93 WeakPolarHBondContact ND2-CD 3.37Å; N90-R93 PolarHBondContact ND2-NE 3.3Å; N90-R93 PolarHBondContact O-N 3.18Å; N90-R93 PolarHBondContact OD1-N 2.78Å; F91-R93 PolarHBondContact O-N 2.74Å
94V95.4Very high93.4Very high15 Ų1556.3 Ų56.39%0.09129%0.286CS..SBendtrans-80.7157.8178.7-50.50000110.9F89 F91 E98 F99 L115F89-V94 HydrophobicContact CE2-CG1 3.78Å; F89-V94 HydrophobicContact CZ-CG1 3.75Å; F91-V94 HydrophobicContact CD1-CG1 4.34Å; F91-V94 VanDerWaalsContact O-CG2 3.28Å; F91-V94 WeakPolarHBondContact O-CG2 3.18Å; F91-V94 PolarHBondContact O-N 2.9Å; V94-E98 HydrophobicContact CB-CB 4.5Å; V94-E98 HydrophobicContact CB-CG 4.4Å; V94-E98 HydrophobicContact CG2-CB 3.84Å; V94-E98 HydrophobicContact CG2-CG 4.27Å; V94-F99 HydrophobicContact CG2-CD2 4.18Å; V94-F99 HydrophobicContact CG2-CE2 3.59Å; V94-F99 HydrophobicContact CG2-CZ 4.36Å; V94-L115 HydrophobicContact CG2-CD2 3.83Å
95P96.6Very high93.8Very high60 Ų6056.3 Ų56.339%0.3928%0.284SS..  trans-56.6144.2173.4-25.135.4000112.6H97 E98P95-H97 WeakPolarHBondContact CB-CE1 3.38Å; P95-H97 PolarHBondContact O-N 2.95Å; P95-H97 VanDerWaalsContact O-N 3.08Å; P95-E98 WeakPolarHBondContact CD-OE1 3.31Å; P95-E98 WeakPolarHBondContact O-CB 3.5Å; P95-E98 PolarHBondContact O-N 3.45Å
96K96.4Very high94.3Very high192 Ų19258.1 Ų58.184%0.83528%0.283SS*.G310 helixtrans-56.9-29.3-178.9-67.5-174.2178-1780113.8E98 F99K96-E98 PolarHBondContact O-N 3.31Å; K96-F99 PolarHBondContact O-N 2.6Å
97H96.8Very high94.7Very high86 Ų8661.3 Ų61.340%0.39829%0.287SS..G310 helixtrans-71.8-11.5178.860.2-115000113.7Y37 P95 F99Y37-H97 AromaticContact CD1-CD2 3.89Å; Y37-H97 HydrophobicContact CD2-CB 3.89Å; Y37-H97 HydrophobicContact CE1-CB 4.39Å; Y37-H97 HydrophobicContact CE2-CB 3.64Å; Y37-H97 HydrophobicContact CG-CB 4.39Å; Y37-H97 AromaticContact CG-CD2 3.69Å; P95-H97 WeakPolarHBondContact CB-CE1 3.38Å; P95-H97 PolarHBondContact O-N 2.95Å; P95-H97 VanDerWaalsContact O-N 3.08Å; H97-F99 VanDerWaalsContact C-N 3.27Å
98E98Very high95Very high15 Ų1555.1 Ų55.17%0.0727%0.265CS..G310 helixtrans-73.5-20.5170.4-66.4-170.5-153.500111.8R72 V94 P95 K96 L115 I116 V118R72-E98 IonicContact NH2-OE1 3.95Å; R72-E98 IonicContact NH2-OE2 2.74Å; R72-E98 PolarHBondContact NH2-OE2 3.01Å; V94-E98 HydrophobicContact CB-CB 4.5Å; V94-E98 HydrophobicContact CB-CG 4.4Å; V94-E98 HydrophobicContact CG2-CB 3.84Å; V94-E98 HydrophobicContact CG2-CG 4.27Å; P95-E98 WeakPolarHBondContact CD-OE1 3.31Å; P95-E98 WeakPolarHBondContact O-CB 3.5Å; P95-E98 PolarHBondContact O-N 3.45Å; K96-E98 PolarHBondContact O-N 3.31Å; E98-L115 CarbonylContact O-C 3.56Å; E98-L115 WeakPolarHBondContact O-CA 3.48Å; E98-L115 WeakPolarHBondContact O-CB 3.37Å; E98-I116 HydrophobicContact CB-CD1 4.48Å; E98-I116 HydrophobicContact CB-CG1 4Å; E98-I116 HydrophobicContact CG-CD1 4.24Å; E98-I116 HydrophobicContact CG-CG1 4.13Å; E98-I116 PolarHBondContact O-N 2.9Å; E98-V118 HydrophobicContact CG-CG1 3.83Å; E98-V118 WeakPolarHBondContact OE1-CG1 3.3Å; E98-V118 WeakPolarHBondContact OE2-CG1 3.28Å
99F98.3Very high95Very high64 Ų6461.5 Ų61.528%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-83.4125.1-179.9-71.1-101.7000111.9F91 V94 K96 H97 L115 V132F91-F99 WeakPolarHBondContact O-CZ 3.38Å; V94-F99 HydrophobicContact CG2-CD2 4.18Å; V94-F99 HydrophobicContact CG2-CE2 3.59Å; V94-F99 HydrophobicContact CG2-CZ 4.36Å; K96-F99 PolarHBondContact O-N 2.6Å; H97-F99 VanDerWaalsContact C-N 3.27Å; F99-L115 HydrophobicContact CD1-CD1 3.69Å; F99-L115 HydrophobicContact CD1-CD2 4.26Å; F99-L115 HydrophobicContact CD1-CG 3.78Å; F99-L115 HydrophobicContact CD2-CD2 4.27Å; F99-L115 HydrophobicContact CD2-CG 4.33Å; F99-L115 HydrophobicContact CE1-CD1 3.7Å; F99-L115 HydrophobicContact CE1-CD2 4.02Å; F99-L115 HydrophobicContact CE1-CG 3.97Å; F99-L115 HydrophobicContact CE2-CD2 4.03Å; F99-L115 HydrophobicContact CE2-CG 4.5Å; F99-L115 HydrophobicContact CG-CD1 4.39Å; F99-L115 HydrophobicContact CG-CD2 4.39Å; F99-L115 HydrophobicContact CG-CG 3.98Å; F99-L115 HydrophobicContact CZ-CD1 4.41Å; F99-L115 HydrophobicContact CZ-CD2 3.9Å; F99-L115 HydrophobicContact CZ-CG 4.33Å; F99-V132 HydrophobicContact CE1-CG1 4.48Å; F99-V132 HydrophobicContact CE1-CG2 4.26Å; F99-V132 HydrophobicContact CZ-CG2 4.45Å
100L98.5Very high95.2Very high10 Ų1062.5 Ų62.55%0.05231%0.308CS..EExtended strand (participates in β ladder)trans-97.3-63.9177.1-55.6-177.4000110.8M1 L25 L28 W29 A32 I114 I116M1-L100 PolarHBondContact N-O 3.42Å; M1-L100 VanDerWaalsContact N-O 3.1Å; L25-L100 HydrophobicContact CD1-CD1 3.82Å; L28-L100 HydrophobicContact CB-CB 4.3Å; L28-L100 HydrophobicContact CB-CD2 4.14Å; L28-L100 HydrophobicContact CD1-CB 4.36Å; W29-L100 HydrophobicContact CB-CD1 4.08Å; A32-L100 HydrophobicContact CB-CD2 4.14Å; L100-I114 WeakPolarHBondContact CA-O 3.29Å; L100-I114 WeakPolarHBondContact CB-O 3.42Å; L100-I114 HydrophobicContact CD1-CG2 4.47Å; L100-I114 PolarHBondContact N-O 3.39Å; L100-I116 HydrophobicContact CD1-CG2 3.85Å; L100-I116 HydrophobicContact CD2-CG2 3.71Å; L100-I116 HydrophobicContact CG-CG2 3.91Å
101L97.7Very high95.3Very high4 Ų462.9 Ų62.92%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-128.7151-171.8-67.3170.6000111.8M1 F3 F21 T24 L25 L28 V103 S113 I114M1-L101 HydrophobicContact CB-CD2 4.02Å; M1-L101 HydrophobicContact CG-CD2 4.02Å; M1-L101 CarbonylContact O-C 3.42Å; M1-L101 VanDerWaalsContact O-CA 3.29Å; M1-L101 WeakPolarHBondContact O-CA 3.17Å; M1-L101 HydrophobicContact SD-CD2 3.98Å; F3-L101 HydrophobicContact CB-CD2 4.26Å; F21-L101 HydrophobicContact CE2-CD1 4.42Å; T24-L101 HydrophobicContact CG2-CD1 4.31Å; T24-L101 HydrophobicContact CG2-CD2 3.85Å; L25-L101 HydrophobicContact CB-CD1 4.22Å; L25-L101 HydrophobicContact CD1-CD1 4.35Å; L28-L101 HydrophobicContact CD1-CD1 4.34Å; L28-L101 HydrophobicContact CD1-CD2 3.44Å; L28-L101 VanDerWaalsContact CD1-CD2 3.44Å; L28-L101 HydrophobicContact CD1-CG 3.65Å; L101-V103 HydrophobicContact CB-CG2 4.06Å; L101-S113 CarbonylContact O-C 3.52Å; L101-S113 WeakPolarHBondContact O-CA 3.33Å; L101-I114 HydrophobicContact CB-CB 4.11Å; L101-I114 HydrophobicContact CB-CD1 4.33Å; L101-I114 HydrophobicContact CB-CG1 4.2Å; L101-I114 HydrophobicContact CD1-CD1 4.3Å; L101-I114 PolarHBondContact N-O 3.01Å; L101-I114 PolarHBondContact O-N 3.18Å
102N97.5Very high95.4Very high45 Ų4562.9 Ų62.924%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-118.6105.5162.3-174.946.9000106.9M1 N2 F3 S111 S113M1-N102 PolarHBondContact O-N 3.25Å; N2-N102 WeakPolarHBondContact CA-O 3.33Å; F3-N102 PolarHBondContact N-O 3.3Å; N102-S111 WeakPolarHBondContact OD1-CB 3.13Å; N102-S111 PolarHBondContact OD1-OG 3.46Å; N102-S113 PolarHBondContact OD1-OG 2.78Å
103V98.3Very high95.5Very high4 Ų460.9 Ų60.92%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-97.3126.2-171.3-174.90000109.2F3 Y5 F21 L101 S111 C112 I114 L154F3-V103 HydrophobicContact CB-CG2 4.3Å; F3-V103 HydrophobicContact CD1-CG1 4.27Å; F3-V103 WeakPolarHBondContact O-CA 3.46Å; Y5-V103 HydrophobicContact CD1-CG1 3.88Å; Y5-V103 HydrophobicContact CE1-CG1 3.88Å; F21-V103 HydrophobicContact CE2-CG2 4.09Å; L101-V103 HydrophobicContact CB-CG2 4.06Å; V103-S111 CarbonylContact O-C 3.48Å; V103-S111 VanDerWaalsContact O-CA 3.23Å; V103-S111 WeakPolarHBondContact O-CA 3.49Å; V103-S111 WeakPolarHBondContact O-CB 3.45Å; V103-C112 WeakPolarHBondContact CB-O 3.49Å; V103-C112 PolarHBondContact N-O 3.3Å; V103-C112 PolarHBondContact O-N 3.46Å; V103-I114 HydrophobicContact CG2-CD1 3.79Å; V103-I114 HydrophobicContact CG2-CG1 4Å; V103-L154 HydrophobicContact CG1-CD1 3.66Å
104S97.1Very high95.8Very high15 Ų1553.9 Ų53.911%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-144.1144.8179.552.30000111.3F3 E4 Y5F3-S104 PolarHBondContact O-N 3.26Å; E4-S104 VanDerWaalsContact CA-O 3.31Å; E4-S104 WeakPolarHBondContact CA-O 3.24Å; Y5-S104 VanDerWaalsContact CD1-C 3.47Å; Y5-S104 WeakPolarHBondContact CD1-O 3.4Å; Y5-S104 PolarHBondContact N-O 3.47Å; Y5-S104 VanDerWaalsContact N-O 3.1Å
105E96.5Very high95.9Very high52 Ų5253.1 Ų53.124%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-66.4141.7166.9-176.1169.3-164.700108.3Y5 N7 H107 A108 K150Y5-E105 HydrophobicContact CE1-CB 4.13Å; Y5-E105 HydrophobicContact CE2-CB 4Å; Y5-E105 HydrophobicContact CE2-CG 4.25Å; Y5-E105 CarbonylContact O-C 3.52Å; Y5-E105 WeakPolarHBondContact O-CA 3.46Å; N7-E105 PolarHBondContact OD1-OE1 3.33Å; E105-H107 PolarHBondContact O-N 3.17Å; E105-A108 HydrophobicContact CB-CB 3.89Å; E105-A108 VanDerWaalsContact O-CB 3.24Å; E105-A108 WeakPolarHBondContact O-CB 3.44Å; E105-A108 PolarHBondContact O-N 2.96Å; E105-K150 IonicContact OE1-NZ 3.14Å; E105-K150 PolarHBondContact OE1-NZ 3.42Å; E105-K150 VanDerWaalsContact OE1-NZ 3.14Å; E105-K150 IonicContact OE2-NZ 2.69Å; E105-K150 PolarHBondContact OE2-NZ 2.92Å
106K94.3Very high96Very high107 Ų10750.3 Ų50.347%0.46525%0.253SS..THydrogen-bonded Turntrans-56131.3-178.2-164-172.8-178.9-177.90109.6Y5 T6 A108Y5-K106 PolarHBondContact O-N 3.31Å; T6-K106 HydrophobicContact CG2-CB 4.05Å; T6-K106 HydrophobicContact CG2-CD 4.14Å; K106-A108 PolarHBondContact O-N 3.17Å
107H89.2Confident96Very high169 Ų16941.8 Ų41.878%0.78222%0.217SC*.THydrogen-bonded Turntrans661.8-175.6-46.8-67000116E105E105-H107 PolarHBondContact O-N 3.17Å
108A90Very high96Very high43 Ų4338 Ų3836%0.35520%0.199SC..  trans-77.5145.4171.100000110.9E105 K106E105-A108 HydrophobicContact CB-CB 3.89Å; E105-A108 VanDerWaalsContact O-CB 3.24Å; E105-A108 WeakPolarHBondContact O-CB 3.44Å; E105-A108 PolarHBondContact O-N 2.96Å; K106-A108 PolarHBondContact O-N 3.17Å
109T87.7Confident95.9Very high144 Ų14437.3 Ų37.388%0.88320%0.196SC*.SBendtrans-85.6-16.9174.1540000112.7
110K92.4Very high95.9Very high71 Ų7134.3 Ų34.331%0.30918%0.183SC..  trans-91.5139179.3-60.3-177.5-178.5167.30110E131 D143K110-E131 HydrophobicContact CB-CG 4.35Å; K110-E131 HydrophobicContact CG-CG 4.49Å; K110-D143 VanDerWaalsContact NZ-CG 3.33Å; K110-D143 IonicContact NZ-OD2 2.62Å; K110-D143 PolarHBondContact NZ-OD2 3.48Å
111S95.5Very high95.7Very high26 Ų2634.3 Ų34.318%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-133.7162176.470.50000111.6N102 V103 E131N102-S111 WeakPolarHBondContact OD1-CB 3.13Å; N102-S111 PolarHBondContact OD1-OG 3.46Å; V103-S111 CarbonylContact O-C 3.48Å; V103-S111 VanDerWaalsContact O-CA 3.23Å; V103-S111 WeakPolarHBondContact O-CA 3.49Å; V103-S111 WeakPolarHBondContact O-CB 3.45Å; S111-E131 PolarHBondContact O-N 2.77Å
112C97.8Very high95.6Very high3 Ų334.5 Ų34.52%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-119.1115170.4-170.40000108.5V103V103-C112 WeakPolarHBondContact CB-O 3.49Å; V103-C112 PolarHBondContact N-O 3.3Å; V103-C112 PolarHBondContact O-N 3.46Å
113S98.4Very high95.5Very high6 Ų635.3 Ų35.34%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-81.1136.7176.1-60.50000110.3L101 N102 L128 V129 V132L101-S113 CarbonylContact O-C 3.52Å; L101-S113 WeakPolarHBondContact O-CA 3.33Å; N102-S113 PolarHBondContact OD1-OG 2.78Å; S113-L128 CarbonylContact O-C 3.58Å; S113-L128 WeakPolarHBondContact O-CA 3.28Å; S113-V129 PolarHBondContact N-O 3.42Å; S113-V129 PolarHBondContact O-N 2.95Å; S113-V132 WeakPolarHBondContact OG-CG1 3.48Å
114I98.7Very high95.5Very high0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-106.8119.6173.2-50.1-169000108.4F21 L25 L100 L101 V103 L127 L128F21-I114 HydrophobicContact CE2-CD1 3.72Å; F21-I114 HydrophobicContact CZ-CD1 3.68Å; L25-I114 HydrophobicContact CD1-CG2 3.85Å; L100-I114 WeakPolarHBondContact CA-O 3.29Å; L100-I114 WeakPolarHBondContact CB-O 3.42Å; L100-I114 HydrophobicContact CD1-CG2 4.47Å; L100-I114 PolarHBondContact N-O 3.39Å; L101-I114 HydrophobicContact CB-CB 4.11Å; L101-I114 HydrophobicContact CB-CD1 4.33Å; L101-I114 HydrophobicContact CB-CG1 4.2Å; L101-I114 HydrophobicContact CD1-CD1 4.3Å; L101-I114 PolarHBondContact N-O 3.01Å; L101-I114 PolarHBondContact O-N 3.18Å; V103-I114 HydrophobicContact CG2-CD1 3.79Å; V103-I114 HydrophobicContact CG2-CG1 4Å; I114-L127 CarbonylContact C-O 3.53Å; I114-L127 VanDerWaalsContact CA-O 3.28Å; I114-L127 WeakPolarHBondContact CA-O 3.37Å; I114-L128 HydrophobicContact CB-CD2 4.35Å; I114-L128 HydrophobicContact CD1-CD2 3.69Å; I114-L128 HydrophobicContact CG1-CD2 3.6Å; I114-L128 HydrophobicContact CG2-CD2 4.16Å
115L98.7Very high95.5Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-113.7154.8175.5-68.172000109.8F91 V94 E98 F99 S126 L127 V129F91-L115 HydrophobicContact CB-CD2 4.1Å; F91-L115 HydrophobicContact CD1-CD2 4.14Å; F91-L115 HydrophobicContact CG-CD2 4.39Å; V94-L115 HydrophobicContact CG2-CD2 3.83Å; E98-L115 CarbonylContact O-C 3.56Å; E98-L115 WeakPolarHBondContact O-CA 3.48Å; E98-L115 WeakPolarHBondContact O-CB 3.37Å; F99-L115 HydrophobicContact CD1-CD1 3.69Å; F99-L115 HydrophobicContact CD1-CD2 4.26Å; F99-L115 HydrophobicContact CD1-CG 3.78Å; F99-L115 HydrophobicContact CD2-CD2 4.27Å; F99-L115 HydrophobicContact CD2-CG 4.33Å; F99-L115 HydrophobicContact CE1-CD1 3.7Å; F99-L115 HydrophobicContact CE1-CD2 4.02Å; F99-L115 HydrophobicContact CE1-CG 3.97Å; F99-L115 HydrophobicContact CE2-CD2 4.03Å; F99-L115 HydrophobicContact CE2-CG 4.5Å; F99-L115 HydrophobicContact CG-CD1 4.39Å; F99-L115 HydrophobicContact CG-CD2 4.39Å; F99-L115 HydrophobicContact CG-CG 3.98Å; F99-L115 HydrophobicContact CZ-CD1 4.41Å; F99-L115 HydrophobicContact CZ-CD2 3.9Å; F99-L115 HydrophobicContact CZ-CG 4.33Å; L115-S126 CarbonylContact O-C 3.56Å; L115-S126 WeakPolarHBondContact O-CA 3.47Å; L115-S126 WeakPolarHBondContact O-CB 3.45Å; L115-L127 HydrophobicContact CB-CB 4.38Å; L115-L127 PolarHBondContact N-O 3.06Å; L115-L127 PolarHBondContact O-N 3.06Å; L115-V129 HydrophobicContact CD1-CB 4.46Å; L115-V129 HydrophobicContact CD1-CG2 3.98Å
116I98.4Very high95.6Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-62.2145.3164.264.8179000109.7A32 F38 E98 L100 V118A32-I116 HydrophobicContact CB-CG2 3.91Å; F38-I116 HydrophobicContact CD1-CB 4.47Å; F38-I116 HydrophobicContact CD1-CD1 4.43Å; F38-I116 HydrophobicContact CD2-CD1 4.26Å; F38-I116 HydrophobicContact CE1-CB 3.68Å; F38-I116 HydrophobicContact CE1-CD1 4.34Å; F38-I116 HydrophobicContact CE1-CG1 4.42Å; F38-I116 HydrophobicContact CE1-CG2 4.13Å; F38-I116 HydrophobicContact CE2-CB 4.33Å; F38-I116 HydrophobicContact CE2-CD1 4.11Å; F38-I116 HydrophobicContact CE2-CG2 4.03Å; F38-I116 HydrophobicContact CG-CD1 4.44Å; F38-I116 HydrophobicContact CZ-CB 3.6Å; F38-I116 HydrophobicContact CZ-CD1 4.18Å; F38-I116 HydrophobicContact CZ-CG1 4.44Å; F38-I116 HydrophobicContact CZ-CG2 3.49Å; F38-I116 VanDerWaalsContact CZ-CG2 3.49Å; E98-I116 HydrophobicContact CB-CD1 4.48Å; E98-I116 HydrophobicContact CB-CG1 4Å; E98-I116 HydrophobicContact CG-CD1 4.24Å; E98-I116 HydrophobicContact CG-CG1 4.13Å; E98-I116 PolarHBondContact O-N 2.9Å; L100-I116 HydrophobicContact CD1-CG2 3.85Å; L100-I116 HydrophobicContact CD2-CG2 3.71Å; L100-I116 HydrophobicContact CG-CG2 3.91Å; I116-V118 HydrophobicContact CD1-CG1 3.98Å; I116-V118 HydrophobicContact CG1-CG1 4Å; I116-V118 PolarHBondContact O-N 2.99Å
117N97.5Very high95.9Very high14 Ų1427.2 Ų27.28%0.07515%0.147CC..  trans-86.7104.4160-165.2-40.6000108.3F38 S119 P120 H125 L127F38-N117 VanDerWaalsContact CD1-O 3.25Å; F38-N117 WeakPolarHBondContact CD1-O 3.39Å; F38-N117 WeakPolarHBondContact CE1-O 3.12Å; N117-S119 CarbonylContact O-C 3.56Å; N117-S119 PolarHBondContact O-N 3.31Å; N117-S119 PolarHBondContact OD1-N 3.34Å; N117-S119 VanDerWaalsContact OD1-N 3.12Å; N117-S119 PolarHBondContact OD1-O 2.67Å; N117-P120 WeakPolarHBondContact O-CD 3.41Å; N117-H125 WeakPolarHBondContact CB-O 3.28Å; N117-H125 PolarHBondContact N-O 3.33Å; N117-H125 VanDerWaalsContact N-O 3.09Å; N117-H125 PolarHBondContact ND2-CE1 3.45Å; N117-H125 PolarHBondContact ND2-NE2 2.76Å; N117-H125 VanDerWaalsContact ND2-NE2 3.2Å; N117-L127 HydrophobicContact CB-CD2 4.43Å; N117-L127 HydrophobicContact CB-CG 4.15Å; N117-L127 WeakPolarHBondContact ND2-CD2 3.24Å
118V96.7Very high96.3Very high5 Ų519.2 Ų19.23%0.0311%0.109CC..SBendtrans-57.6-12.4-178.6-63.60000114.7R39 E98 I116 P120R39-V118 WeakPolarHBondContact CB-O 3.38Å; R39-V118 HydrophobicContact CG-CB 4.31Å; R39-V118 HydrophobicContact CG-CG2 4.48Å; R39-V118 PolarHBondContact N-O 3.08Å; E98-V118 HydrophobicContact CG-CG1 3.83Å; E98-V118 WeakPolarHBondContact OE1-CG1 3.3Å; E98-V118 WeakPolarHBondContact OE2-CG1 3.28Å; I116-V118 HydrophobicContact CD1-CG1 3.98Å; I116-V118 HydrophobicContact CG1-CG1 4Å; I116-V118 PolarHBondContact O-N 2.99Å; V118-P120 WeakPolarHBondContact O-CD 3.33Å
119S95.6Very high96.7Very high2 Ų217.1 Ų17.11%0.0149%0.093CC..SBendtrans-118.181167-57.50000108.6Y40 R67 Q70 R71 N117Y40-S119 WeakPolarHBondContact OH-CA 2.89Å; Y40-S119 WeakPolarHBondContact OH-CB 3.25Å; Y40-S119 PolarHBondContact OH-O 3.22Å; R67-S119 PolarHBondContact NH1-O 3.45Å; Q70-S119 PolarHBondContact O-OG 2.9Å; R71-S119 WeakPolarHBondContact CA-OG 3.37Å; N117-S119 CarbonylContact O-C 3.56Å; N117-S119 PolarHBondContact O-N 3.31Å; N117-S119 PolarHBondContact OD1-N 3.34Å; N117-S119 VanDerWaalsContact OD1-N 3.12Å; N117-S119 PolarHBondContact OD1-O 2.67Å
120P96.5Very high97.2Very high0 Ų010.3 Ų10.30%05%0.051CC..  trans-74.5148.9-173.828.4-28.9000111.2W29 F38 Y40 I42 N64 N117 V118 H125W29-P120 HydrophobicContact CZ2-CB 4.48Å; F38-P120 HydrophobicContact CB-CG 4.38Å; F38-P120 HydrophobicContact CD1-CB 4.08Å; F38-P120 HydrophobicContact CD1-CG 3.54Å; F38-P120 HydrophobicContact CE1-CB 4.2Å; F38-P120 HydrophobicContact CE1-CG 4.14Å; F38-P120 HydrophobicContact CG-CG 4.26Å; Y40-P120 HydrophobicContact CE2-CG 4.17Å; Y40-P120 WeakPolarHBondContact CE2-O 3.41Å; Y40-P120 VanDerWaalsContact CZ-O 3.29Å; Y40-P120 PolarHBondContact OH-O 3.4Å; I42-P120 HydrophobicContact CG2-CB 4.17Å; I42-P120 HydrophobicContact CG2-CG 3.96Å; I42-P120 WeakPolarHBondContact CG2-O 3.44Å; N64-P120 PolarHBondContact ND2-O 3.24Å; N117-P120 WeakPolarHBondContact O-CD 3.41Å; V118-P120 WeakPolarHBondContact O-CD 3.33Å; P120-H125 WeakPolarHBondContact CA-ND1 3.43Å; P120-H125 HydrophobicContact CB-CB 4.06Å
121F94.8Very high97.4Very high11 Ų118.1 Ų8.15%0.0484%0.041CC..SBendtrans-116.8-15.1170.161.3-112.7000112.8L62 H125 W181 M293 V295L62-F121 WeakPolarHBondContact CD2-O 3.44Å; F121-H125 AromaticContact CD1-CE1 3.15Å; F121-H125 WeakPolarHBondContact CD1-CE1 3.47Å; F121-H125 AromaticContact CD1-ND1 3.33Å; F121-H125 VanDerWaalsContact CD1-ND1 3.33Å; F121-H125 WeakPolarHBondContact CD1-ND1 3.03Å; F121-H125 AromaticContact CD1-NE2 3.79Å; F121-H125 AromaticContact CE1-CD2 3.74Å; F121-H125 AromaticContact CE1-CE1 3.08Å; F121-H125 WeakPolarHBondContact CE1-CE1 3.48Å; F121-H125 AromaticContact CE1-CG 3.96Å; F121-H125 AromaticContact CE1-ND1 3.57Å; F121-H125 AromaticContact CE1-NE2 3.21Å; F121-H125 WeakPolarHBondContact CE1-NE2 3.24Å; F121-H125 AromaticContact CG-ND1 3.84Å; F121-H125 AromaticContact CZ-CD2 3.83Å; F121-H125 AromaticContact CZ-CE1 3.95Å; F121-H125 AromaticContact CZ-NE2 3.74Å; F121-H125 PolarHBondContact N-ND1 3.22Å; F121-H125 VanDerWaalsContact N-ND1 3.19Å; F121-W181 HydrophobicContact CE2-CB 4.01Å; F121-W181 AromaticContact CE2-CD1 3.79Å; F121-W181 AromaticContact CE2-CD2 3.84Å; F121-W181 HydrophobicContact CE2-CD2 3.84Å; F121-W181 HydrophobicContact CE2-CE3 4.46Å; F121-W181 AromaticContact CE2-CG 3.61Å; F121-W181 HydrophobicContact CE2-CG 3.61Å; F121-W181 HydrophobicContact CZ-CB 4.33Å; F121-W181 AromaticContact CZ-CD2 3.8Å; F121-W181 HydrophobicContact CZ-CD2 3.8Å; F121-W181 AromaticContact CZ-CE3 3.96Å; F121-W181 HydrophobicContact CZ-CE3 3.96Å; F121-W181 AromaticContact CZ-CG 3.98Å; F121-W181 HydrophobicContact CZ-CG 3.98Å; F121-M293 HydrophobicContact CD2-CE 3.72Å; F121-M293 HydrophobicContact CE2-CE 3.42Å; F121-M293 VanDerWaalsContact CE2-CE 3.42Å; F121-M293 HydrophobicContact CZ-CE 4.34Å; F121-V295 HydrophobicContact CB-CG1 4.11Å; F121-V295 HydrophobicContact CB-CG2 4.23Å; F121-V295 HydrophobicContact CD2-CG2 4.31Å; F121-V295 HydrophobicContact CG-CG2 4.2Å
122S95.6Very high97.4Very high7 Ų77.1 Ų7.15%0.0493%0.034CC..SBendtrans-149.9169.7176.7-166.20000109.3I42 H125 Q182I42-S122 WeakPolarHBondContact CD1-O 3.36Å; S122-H125 WeakPolarHBondContact O-CB 3.5Å; S122-H125 PolarHBondContact O-N 2.85Å; S122-H125 VanDerWaalsContact O-N 3.14Å; S122-Q182 WeakPolarHBondContact CB-O 3.05Å; S122-Q182 PolarHBondContact OG-O 2.96Å
123Y96.6Very high97.3Very high62 Ų6213.9 Ų13.924%0.2437%0.066CC..THydrogen-bonded Turntrans-56.1143.6172.7-169.3-113.3000111.1D26 W29 T30 H125 Q182D26-Y123 WeakPolarHBondContact OD1-CE1 3.35Å; D26-Y123 PolarHBondContact OD1-OH 3.02Å; W29-Y123 HydrophobicContact CE3-CD2 4.11Å; W29-Y123 AromaticContact CE3-CE2 3.71Å; W29-Y123 HydrophobicContact CE3-CE2 3.71Å; W29-Y123 AromaticContact CH2-CD2 3.99Å; W29-Y123 HydrophobicContact CH2-CD2 3.99Å; W29-Y123 HydrophobicContact CH2-CE2 4.35Å; W29-Y123 AromaticContact CZ3-CD2 3.52Å; W29-Y123 HydrophobicContact CZ3-CD2 3.52Å; W29-Y123 AromaticContact CZ3-CE2 3.43Å; W29-Y123 HydrophobicContact CZ3-CE2 3.43Å; W29-Y123 VanDerWaalsContact CZ3-CE2 3.43Å; T30-Y123 PolarHBondContact OG1-OH 3.28Å; Y123-H125 PolarHBondContact O-N 2.87Å; Y123-H125 VanDerWaalsContact O-N 3.1Å; Y123-Q182 HydrophobicContact CD1-CB 4.34Å; Y123-Q182 PolarHBondContact O-N 3.48Å
124L97.5Very high97.1Very high6 Ų619.5 Ų19.53%0.0319%0.089CC..THydrogen-bonded Turntrans56.315.6-172.7-54.3-176.4000115.6W29 S126 F180 Q182W29-L124 HydrophobicContact CB-CD2 3.68Å; W29-L124 HydrophobicContact CD2-CD2 3.93Å; W29-L124 HydrophobicContact CE3-CD2 4.1Å; W29-L124 HydrophobicContact CG-CD2 3.75Å; L124-S126 WeakPolarHBondContact O-CB 3.1Å; L124-S126 PolarHBondContact O-N 3Å; L124-S126 PolarHBondContact O-OG 3.19Å; L124-F180 HydrophobicContact CB-CD1 4.45Å; L124-F180 HydrophobicContact CB-CE1 4.15Å; L124-F180 HydrophobicContact CD1-CE1 4.32Å; L124-Q182 HydrophobicContact CB-CB 4.49Å; L124-Q182 HydrophobicContact CD1-CB 4.42Å
125H98.2Very high96.9Very high0 Ų021.6 Ų21.60%010%0.104CC..  trans-60.9109.9179.5-173.7-151.7000110.6W29 N117 P120 F121 S122 Y123 H179 F180 W181W29-H125 PolarHBondContact NE1-O 3.45Å; W29-H125 VanDerWaalsContact NE1-O 3.16Å; N117-H125 WeakPolarHBondContact CB-O 3.28Å; N117-H125 PolarHBondContact N-O 3.33Å; N117-H125 VanDerWaalsContact N-O 3.09Å; N117-H125 PolarHBondContact ND2-CE1 3.45Å; N117-H125 PolarHBondContact ND2-NE2 2.76Å; N117-H125 VanDerWaalsContact ND2-NE2 3.2Å; P120-H125 WeakPolarHBondContact CA-ND1 3.43Å; P120-H125 HydrophobicContact CB-CB 4.06Å; F121-H125 AromaticContact CD1-CE1 3.15Å; F121-H125 WeakPolarHBondContact CD1-CE1 3.47Å; F121-H125 AromaticContact CD1-ND1 3.33Å; F121-H125 VanDerWaalsContact CD1-ND1 3.33Å; F121-H125 WeakPolarHBondContact CD1-ND1 3.03Å; F121-H125 AromaticContact CD1-NE2 3.79Å; F121-H125 AromaticContact CE1-CD2 3.74Å; F121-H125 AromaticContact CE1-CE1 3.08Å; F121-H125 WeakPolarHBondContact CE1-CE1 3.48Å; F121-H125 AromaticContact CE1-CG 3.96Å; F121-H125 AromaticContact CE1-ND1 3.57Å; F121-H125 AromaticContact CE1-NE2 3.21Å; F121-H125 WeakPolarHBondContact CE1-NE2 3.24Å; F121-H125 AromaticContact CG-ND1 3.84Å; F121-H125 AromaticContact CZ-CD2 3.83Å; F121-H125 AromaticContact CZ-CE1 3.95Å; F121-H125 AromaticContact CZ-NE2 3.74Å; F121-H125 PolarHBondContact N-ND1 3.22Å; F121-H125 VanDerWaalsContact N-ND1 3.19Å; S122-H125 WeakPolarHBondContact O-CB 3.5Å; S122-H125 PolarHBondContact O-N 2.85Å; S122-H125 VanDerWaalsContact O-N 3.14Å; Y123-H125 PolarHBondContact O-N 2.87Å; Y123-H125 VanDerWaalsContact O-N 3.1Å; H125-H179 AromaticContact CE1-ND1 3.68Å; H125-H179 AromaticContact NE2-CE1 3.84Å; H125-H179 AromaticContact NE2-CG 3.8Å; H125-H179 AromaticContact NE2-ND1 2.87Å; H125-H179 PolarHBondContact NE2-ND1 3.21Å; H125-F180 CarbonylContact C-O 3.55Å; H125-F180 VanDerWaalsContact CA-O 3.26Å; H125-F180 WeakPolarHBondContact CA-O 3.38Å; H125-W181 HydrophobicContact CB-CB 4.28Å
126S98.7Very high96.8Very high0 Ų024.5 Ų24.50%012%0.117CC..EExtended strand (participates in β ladder)trans-135.4171.7-170-56.90000109.5W29 L115 L124 F180W29-S126 VanDerWaalsContact CD1-OG 3.29Å; L115-S126 CarbonylContact O-C 3.56Å; L115-S126 WeakPolarHBondContact O-CA 3.47Å; L115-S126 WeakPolarHBondContact O-CB 3.45Å; L124-S126 WeakPolarHBondContact O-CB 3.1Å; L124-S126 PolarHBondContact O-N 3Å; L124-S126 PolarHBondContact O-OG 3.19Å; S126-F180 PolarHBondContact N-O 2.77Å; S126-F180 PolarHBondContact O-N 2.84Å
127L98.7Very high96.7Very high3 Ų325.8 Ų25.82%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-119.4126.3177-61172.9000108.8F91 I114 L115 N117 V129 F178F91-L127 HydrophobicContact CD1-CD1 4.22Å; F91-L127 HydrophobicContact CE1-CD1 3.38Å; F91-L127 HydrophobicContact CZ-CD1 3.69Å; I114-L127 CarbonylContact C-O 3.53Å; I114-L127 VanDerWaalsContact CA-O 3.28Å; I114-L127 WeakPolarHBondContact CA-O 3.37Å; L115-L127 HydrophobicContact CB-CB 4.38Å; L115-L127 PolarHBondContact N-O 3.06Å; L115-L127 PolarHBondContact O-N 3.06Å; N117-L127 HydrophobicContact CB-CD2 4.43Å; N117-L127 HydrophobicContact CB-CG 4.15Å; N117-L127 WeakPolarHBondContact ND2-CD2 3.24Å; L127-V129 HydrophobicContact CB-CG2 4.26Å; L127-F178 CarbonylContact C-O 3.59Å; L127-F178 VanDerWaalsContact CA-O 3.29Å; L127-F178 WeakPolarHBondContact CA-O 3.2Å
128L98.7Very high96.7Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-94.4119.9168-49.9-179.9000107.9S113 I114 V148 V162 H177 F178 F180S113-L128 CarbonylContact O-C 3.58Å; S113-L128 WeakPolarHBondContact O-CA 3.28Å; I114-L128 HydrophobicContact CB-CD2 4.35Å; I114-L128 HydrophobicContact CD1-CD2 3.69Å; I114-L128 HydrophobicContact CG1-CD2 3.6Å; I114-L128 HydrophobicContact CG2-CD2 4.16Å; L128-V148 HydrophobicContact CD1-CG1 4.05Å; L128-V162 HydrophobicContact CD1-CG1 4.23Å; L128-V162 HydrophobicContact CD1-CG2 3.73Å; L128-H177 CarbonylContact O-C 3.59Å; L128-H177 VanDerWaalsContact O-CA 3.29Å; L128-H177 WeakPolarHBondContact O-CA 3.44Å; L128-F178 HydrophobicContact CB-CB 4.21Å; L128-F178 PolarHBondContact N-O 2.65Å; L128-F178 PolarHBondContact O-N 2.98Å; L128-F180 HydrophobicContact CD1-CB 4.28Å; L128-F180 HydrophobicContact CD1-CD2 4.45Å; L128-F180 HydrophobicContact CD2-CB 4.08Å; L128-F180 HydrophobicContact CG-CB 3.98Å
129V98.4Very high96.7Very high0 Ų027.6 Ų27.60%013%0.131CC..EExtended strand (participates in β ladder)trans-122.794.5-175.3-169.80000108.5F91 S113 L115 L127 E131 V132 L176 H177F91-V129 HydrophobicContact CD2-CG1 4.03Å; F91-V129 HydrophobicContact CD2-CG2 3.79Å; F91-V129 HydrophobicContact CE2-CG2 4.21Å; F91-V129 HydrophobicContact CG-CG2 4.22Å; S113-V129 PolarHBondContact N-O 3.42Å; S113-V129 PolarHBondContact O-N 2.95Å; L115-V129 HydrophobicContact CD1-CB 4.46Å; L115-V129 HydrophobicContact CD1-CG2 3.98Å; L127-V129 HydrophobicContact CB-CG2 4.26Å; V129-E131 PolarHBondContact O-N 2.99Å; V129-V132 HydrophobicContact CB-CB 4.29Å; V129-V132 HydrophobicContact CB-CG2 4.3Å; V129-V132 HydrophobicContact CG1-CB 3.79Å; V129-V132 HydrophobicContact CG1-CG2 3.71Å; V129-L176 WeakPolarHBondContact CG1-O 3.36Å; V129-H177 HydrophobicContact CG2-CB 4.18Å
130P97.9Very high96.8Very high1 Ų127.5 Ų27.51%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-62.6129176.4-21.134.5000110.6V132 V148P130-V132 VanDerWaalsContact C-N 3.31Å; P130-V132 PolarHBondContact O-N 3.3Å; P130-V148 HydrophobicContact CG-CG2 3.68Å
131E96.5Very high96.9Very high24 Ų2428.9 Ų28.911%0.11214%0.144CC..THydrogen-bonded Turntrans50.248.9175.8-54.3-178.883.200112.5K110 S111 V129 E133 K134K110-E131 HydrophobicContact CB-CG 4.35Å; K110-E131 HydrophobicContact CG-CG 4.49Å; S111-E131 PolarHBondContact O-N 2.77Å; V129-E131 PolarHBondContact O-N 2.99Å; E131-E133 PolarHBondContact O-N 2.94Å; E131-K134 HydrophobicContact CB-CB 4.3Å; E131-K134 HydrophobicContact CB-CD 3.95Å; E131-K134 HydrophobicContact CB-CG 4.12Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 3.08Å; E131-K134 WeakPolarHBondContact OE1-CD 3Å; E131-K134 WeakPolarHBondContact OE1-CE 3.35Å; E131-K134 IonicContact OE1-NZ 2.63Å; E131-K134 PolarHBondContact OE1-NZ 2.95Å
132V96.3Very high97Very high5 Ų531.9 Ų31.93%0.0316%0.157CC..G310 helixtrans-42.8-41.5-172.967.60000113.9F91 N92 F99 S113 V129 P130 K134 C135F91-V132 HydrophobicContact CB-CG2 4.03Å; N92-V132 PolarHBondContact ND2-O 3.49Å; N92-V132 WeakPolarHBondContact OD1-CG2 3.1Å; N92-V132 PolarHBondContact OD1-O 3.19Å; F99-V132 HydrophobicContact CE1-CG1 4.48Å; F99-V132 HydrophobicContact CE1-CG2 4.26Å; F99-V132 HydrophobicContact CZ-CG2 4.45Å; S113-V132 WeakPolarHBondContact OG-CG1 3.48Å; V129-V132 HydrophobicContact CB-CB 4.29Å; V129-V132 HydrophobicContact CB-CG2 4.3Å; V129-V132 HydrophobicContact CG1-CB 3.79Å; V129-V132 HydrophobicContact CG1-CG2 3.71Å; P130-V132 VanDerWaalsContact C-N 3.31Å; P130-V132 PolarHBondContact O-N 3.3Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 3.48Å; V132-C135 PolarHBondContact O-N 3.42Å
133E94.8Very high97Very high146 Ų14635.6 Ų35.668%0.68218%0.176SC*.G310 helixtrans-65-28.2-178.8-59.4-58.7155.800113.2E131 C135E131-E133 PolarHBondContact O-N 2.94Å; E133-C135 PolarHBondContact O-N 3.49Å
134K94.8Very high97.1Very high124 Ų12433 Ų3354%0.53917%0.167SC..G310 helixtrans-72.9-13.5178.9-67.9-170.2174.1175.90113.2E131 V132 H136E131-K134 HydrophobicContact CB-CB 4.3Å; E131-K134 HydrophobicContact CB-CD 3.95Å; E131-K134 HydrophobicContact CB-CG 4.12Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 3.08Å; E131-K134 WeakPolarHBondContact OE1-CD 3Å; E131-K134 WeakPolarHBondContact OE1-CE 3.35Å; E131-K134 IonicContact OE1-NZ 2.63Å; E131-K134 PolarHBondContact OE1-NZ 2.95Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 3.48Å; K134-H136 VanDerWaalsContact C-N 3.33Å; K134-H136 WeakPolarHBondContact CB-NE2 3.35Å; K134-H136 WeakPolarHBondContact CD-NE2 3.23Å; K134-H136 PolarHBondContact O-N 3.21Å
135C94.4Very high97.1Very high44 Ų4432.7 Ų32.730%0.29717%0.166SC..  trans49.252.9-179.7-60.40000111.7L84 N92 V132 E133 N137L84-C135 HydrophobicContact CD1-CB 4.3Å; L84-C135 WeakPolarHBondContact CD1-O 3.47Å; N92-C135 PolarHBondContact ND2-SG 3.16Å; V132-C135 PolarHBondContact O-N 3.42Å; E133-C135 PolarHBondContact O-N 3.49Å; C135-N137 PolarHBondContact O-N 2.85Å
136H96.1Very high97.1Very high60 Ų6034.8 Ų34.828%0.27817%0.174SC..  trans-61.9139173.5-67.1-57.6000109.5K134 H175 L176K134-H136 VanDerWaalsContact C-N 3.33Å; K134-H136 WeakPolarHBondContact CB-NE2 3.35Å; K134-H136 WeakPolarHBondContact CD-NE2 3.23Å; K134-H136 PolarHBondContact O-N 3.21Å; H136-H175 CarbonylContact O-C 3.53Å; H136-H175 WeakPolarHBondContact O-CA 3.34Å; H136-H175 PolarHBondContact O-CD2 3.47Å; H136-H175 VanDerWaalsContact O-CD2 3.24Å; H136-L176 HydrophobicContact CB-CB 3.74Å; H136-L176 HydrophobicContact CB-CD2 3.98Å; H136-L176 PolarHBondContact O-N 3.31Å
137N96.4Very high97Very high28 Ų2836 Ų3615%0.1518%0.182CC..  trans-65.6167.8171.267-46000110.2N81 D82 L84 C135 F139 N174 L176N81-N137 PolarHBondContact OD1-ND2 3.38Å; D82-N137 PolarHBondContact O-ND2 3.19Å; D82-N137 VanDerWaalsContact O-ND2 3.14Å; L84-N137 HydrophobicContact CD1-CB 3.98Å; L84-N137 HydrophobicContact CG-CB 3.96Å; C135-N137 PolarHBondContact O-N 2.85Å; N137-F139 PolarHBondContact O-N 2.86Å; N137-N174 WeakPolarHBondContact CB-OD1 3.21Å; N137-L176 WeakPolarHBondContact O-CB 2.97Å
138Q97.3Very high96.9Very high1 Ų135.9 Ų35.91%0.00518%0.182CC..SBendtrans-74.856.3-177.7-173.16810.800111.7F164 N165 L167 A171 N174 H175 H177Q138-F164 HydrophobicContact CG-CE2 4.41Å; Q138-N165 PolarHBondContact NE2-O 2.81Å; Q138-L167 HydrophobicContact CB-CD2 3.66Å; Q138-L167 HydrophobicContact CB-CG 3.97Å; Q138-L167 HydrophobicContact CG-CD2 3.99Å; Q138-L167 HydrophobicContact CG-CG 4.37Å; Q138-A171 HydrophobicContact CG-CB 3.83Å; Q138-N174 PolarHBondContact N-OD1 3.19Å; Q138-H175 PolarHBondContact OE1-O 3.29Å; Q138-H177 PolarHBondContact NE2-O 3.48Å; Q138-H177 PolarHBondContact OE1-CE1 2.79Å; Q138-H177 PolarHBondContact OE1-ND1 2.91Å
139F97.8Very high96.9Very high55 Ų5535.9 Ų35.924%0.24118%0.182CC..SBendtrans-132.2116.6179.5-171.6-102.2000107.4I80 N81 N137 G141 Q239I80-F139 HydrophobicContact CD1-CE2 4.07Å; I80-F139 HydrophobicContact CG1-CE2 4.35Å; N81-F139 HydrophobicContact CB-CD2 3.55Å; N81-F139 HydrophobicContact CB-CE2 3.73Å; N81-F139 HydrophobicContact CB-CG 4.13Å; N81-F139 HydrophobicContact CB-CZ 4.44Å; N81-F139 WeakPolarHBondContact OD1-CB 3.31Å; N81-F139 VanDerWaalsContact OD1-CG 3.31Å; N81-F139 WeakPolarHBondContact OD1-CG 3.29Å; N137-F139 PolarHBondContact O-N 2.86Å; F139-G141 PolarHBondContact O-N 3.06Å; F139-Q239 HydrophobicContact CD2-CG 4.31Å; F139-Q239 HydrophobicContact CE2-CB 3.76Å; F139-Q239 HydrophobicContact CE2-CG 3.52Å; F139-Q239 HydrophobicContact CZ-CB 3.64Å; F139-Q239 VanDerWaalsContact CZ-CD 3.47Å; F139-Q239 HydrophobicContact CZ-CG 3.69Å
140L97.7Very high96.9Very high1 Ų136.9 Ų36.91%0.00519%0.186CC..  trans-72.7132.3-168.2-173.251.9000111.1F145 F164 L176 F178 W232 I235 Q239L140-F145 HydrophobicContact CD1-CB 3.89Å; L140-F145 HydrophobicContact CD2-CB 4.05Å; L140-F145 HydrophobicContact CD2-CD2 3.84Å; L140-F145 HydrophobicContact CD2-CG 4.14Å; L140-F145 HydrophobicContact CG-CB 4Å; L140-F164 HydrophobicContact CB-CE1 4.23Å; L140-F164 HydrophobicContact CB-CE2 4.3Å; L140-F164 HydrophobicContact CB-CZ 3.9Å; L140-F164 HydrophobicContact CD2-CD1 4.47Å; L140-L176 HydrophobicContact CD1-CD1 4.16Å; L140-F178 HydrophobicContact CD1-CE2 3.65Å; L140-F178 HydrophobicContact CD1-CZ 3.42Å; L140-F178 VanDerWaalsContact CD1-CZ 3.42Å; L140-F178 HydrophobicContact CD2-CZ 3.83Å; L140-F178 HydrophobicContact CG-CZ 4.28Å; L140-W232 HydrophobicContact CG-CZ3 4.31Å; L140-W232 WeakPolarHBondContact O-CH2 3.37Å; L140-W232 WeakPolarHBondContact O-CZ3 3.38Å; L140-I235 HydrophobicContact CB-CG2 4.42Å; L140-I235 HydrophobicContact CD2-CD1 4.07Å; L140-I235 HydrophobicContact CD2-CG2 4.07Å; L140-I235 HydrophobicContact CG-CG2 4.49Å; L140-Q239 PolarHBondContact O-NE2 2.82Å; L140-Q239 PolarHBondContact O-OE1 3.04Å
141G97.5Very high96.9Very high28 Ų2837 Ų3729%0.28919%0.186SC..  trans-103.9154.8167.900000112F139 D143 S144 F145F139-G141 PolarHBondContact O-N 3.06Å; G141-D143 PolarHBondContact O-N 3Å; G141-S144 PolarHBondContact O-N 3.34Å; G141-F145 WeakPolarHBondContact O-CB 3.32Å; G141-F145 PolarHBondContact O-N 3.36Å
142K97.8Very high97Very high75 Ų7535.8 Ų35.833%0.32618%0.181SC..Hα-helixtrans-56.4-46.9-178-167178.3-171177.80112.8F145 Y146 N229 W232K142-F145 WeakPolarHBondContact O-CB 3.15Å; K142-F145 PolarHBondContact O-N 3.18Å; K142-Y146 WeakPolarHBondContact O-CB 3.45Å; K142-Y146 PolarHBondContact O-N 2.95Å; K142-N229 PolarHBondContact NZ-OD1 2.95Å; K142-W232 HydrophobicContact CB-CD2 3.66Å; K142-W232 HydrophobicContact CB-CE3 4.05Å; K142-W232 HydrophobicContact CB-CG 4.06Å; K142-W232 HydrophobicContact CB-CH2 4.45Å; K142-W232 HydrophobicContact CB-CZ2 4.07Å; K142-W232 HydrophobicContact CB-CZ3 4.44Å; K142-W232 HydrophobicContact CD-CB 4.49Å; K142-W232 HydrophobicContact CD-CD2 4.4Å; K142-W232 HydrophobicContact CD-CG 3.9Å; K142-W232 HydrophobicContact CG-CB 4.2Å; K142-W232 HydrophobicContact CG-CD2 3.82Å; K142-W232 HydrophobicContact CG-CE3 4.41Å; K142-W232 HydrophobicContact CG-CG 3.67Å
143D96.2Very high97.1Very high85 Ų8535.6 Ų35.646%0.45518%0.18SC..Hα-helixtrans-67.5-39.6-177.3-68.1-12.8000112.3K110 G141 Y146 S147K110-D143 VanDerWaalsContact NZ-CG 3.33Å; K110-D143 IonicContact NZ-OD2 2.62Å; K110-D143 PolarHBondContact NZ-OD2 3.48Å; G141-D143 PolarHBondContact O-N 3Å; D143-Y146 PolarHBondContact O-N 2.92Å; D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.72Å; D143-S147 PolarHBondContact O-OG 3.14Å
144S97Very high97.2Very high7 Ų728.8 Ų28.85%0.04915%0.148CC..Hα-helixtrans-65.7-42175.4-49.40000110.9G141 S147 V148G141-S144 PolarHBondContact O-N 3.34Å; S144-S147 PolarHBondContact O-N 2.86Å; S144-V148 WeakPolarHBondContact O-CG2 3.24Å; S144-V148 PolarHBondContact O-N 2.82Å; S144-V148 VanDerWaalsContact O-N 3.08Å
145F98.2Very high97.3Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-60.8-48.3174-179.6-121.6000111.5L140 G141 K142 S147 V148 I149 F178 V228 L231 I235 V247 V260L140-F145 HydrophobicContact CD1-CB 3.89Å; L140-F145 HydrophobicContact CD2-CB 4.05Å; L140-F145 HydrophobicContact CD2-CD2 3.84Å; L140-F145 HydrophobicContact CD2-CG 4.14Å; L140-F145 HydrophobicContact CG-CB 4Å; G141-F145 WeakPolarHBondContact O-CB 3.32Å; G141-F145 PolarHBondContact O-N 3.36Å; K142-F145 WeakPolarHBondContact O-CB 3.15Å; K142-F145 PolarHBondContact O-N 3.18Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 3.14Å; F145-V148 PolarHBondContact O-N 3.33Å; F145-I149 HydrophobicContact CD2-CG1 4.41Å; F145-I149 HydrophobicContact CE1-CG1 4.21Å; F145-I149 HydrophobicContact CE2-CD1 3.9Å; F145-I149 HydrophobicContact CE2-CG1 4.01Å; F145-I149 HydrophobicContact CZ-CD1 3.89Å; F145-I149 HydrophobicContact CZ-CG1 3.9Å; F145-I149 WeakPolarHBondContact O-CG1 3.17Å; F145-I149 PolarHBondContact O-N 3.08Å; F145-F178 HydrophobicContact CD2-CE1 4.4Å; F145-F178 HydrophobicContact CD2-CZ 4.27Å; F145-V228 HydrophobicContact CD1-CG1 3.94Å; F145-V228 HydrophobicContact CE1-CG1 4.22Å; F145-L231 HydrophobicContact CE1-CB 3.65Å; F145-L231 HydrophobicContact CE1-CD1 4.15Å; F145-L231 HydrophobicContact CZ-CB 3.94Å; F145-L231 HydrophobicContact CZ-CD1 3.95Å; F145-I235 HydrophobicContact CD1-CD1 4.17Å; F145-I235 HydrophobicContact CD2-CD1 4.24Å; F145-I235 HydrophobicContact CE1-CD1 3.98Å; F145-I235 HydrophobicContact CE2-CD1 4.04Å; F145-I235 HydrophobicContact CG-CD1 4.3Å; F145-I235 HydrophobicContact CZ-CD1 3.9Å; F145-V247 HydrophobicContact CE2-CG1 4.02Å; F145-V260 HydrophobicContact CZ-CG1 4.43Å
146Y97.4Very high97.4Very high44 Ų4420.8 Ų20.817%0.17311%0.108CC..Hα-helixtrans-55.9-49.9175.8-155.2136.2000110.6K142 D143 V148 I149 K150 L224 D225 V228K142-Y146 WeakPolarHBondContact O-CB 3.45Å; K142-Y146 PolarHBondContact O-N 2.95Å; D143-Y146 PolarHBondContact O-N 2.92Å; Y146-V148 PolarHBondContact O-N 2.69Å; Y146-I149 PolarHBondContact O-N 3.47Å; Y146-K150 HydrophobicContact CD2-CD 4.16Å; Y146-K150 HydrophobicContact CD2-CG 3.89Å; Y146-K150 HydrophobicContact CE2-CD 3.99Å; Y146-K150 HydrophobicContact CE2-CG 3.8Å; Y146-K150 PolarHBondContact O-N 2.96Å; Y146-L224 HydrophobicContact CE2-CD2 3.74Å; Y146-L224 HydrophobicContact CE2-CG 3.86Å; Y146-L224 WeakPolarHBondContact OH-CG 2.97Å; Y146-D225 WeakPolarHBondContact CE1-OD1 3.42Å; Y146-D225 VanDerWaalsContact CZ-OD1 3.23Å; Y146-D225 PolarHBondContact OH-OD1 2.82Å; Y146-V228 HydrophobicContact CD1-CB 4.01Å; Y146-V228 HydrophobicContact CD1-CG1 3.63Å; Y146-V228 HydrophobicContact CD1-CG2 4.09Å; Y146-V228 HydrophobicContact CD2-CG2 4.17Å; Y146-V228 HydrophobicContact CE1-CB 4.18Å; Y146-V228 HydrophobicContact CE1-CG1 4.29Å; Y146-V228 HydrophobicContact CE1-CG2 4.2Å; Y146-V228 HydrophobicContact CE2-CG2 4.23Å; Y146-V228 HydrophobicContact CG-CB 4.41Å; Y146-V228 HydrophobicContact CG-CG1 3.92Å; Y146-V228 HydrophobicContact CG-CG2 4.07Å
147S96.5Very high97.4Very high25 Ų2519.5 Ų19.518%0.17510%0.104CC..Hα-helixtrans-56.9-38.7-179.7-58.70000112.2D143 S144 F145 C151D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.72Å; D143-S147 PolarHBondContact O-OG 3.14Å; S144-S147 PolarHBondContact O-N 2.86Å; F145-S147 VanDerWaalsContact C-N 3.34Å; F145-S147 PolarHBondContact O-N 3.14Å; S147-C151 WeakPolarHBondContact O-CB 3.2Å; S147-C151 PolarHBondContact O-N 3.25Å
148V98.1Very high97.4Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-68.8-40.9175.41700000112L128 P130 S144 F145 Y146 C151 F152 V162 F178L128-V148 HydrophobicContact CD1-CG1 4.05Å; P130-V148 HydrophobicContact CG-CG2 3.68Å; S144-V148 WeakPolarHBondContact O-CG2 3.24Å; S144-V148 PolarHBondContact O-N 2.82Å; S144-V148 VanDerWaalsContact O-N 3.08Å; F145-V148 PolarHBondContact O-N 3.33Å; Y146-V148 PolarHBondContact O-N 2.69Å; V148-C151 PolarHBondContact O-N 3.28Å; V148-F152 PolarHBondContact O-N 3.31Å; V148-V162 HydrophobicContact CG1-CG1 3.73Å; V148-F178 HydrophobicContact CB-CE2 4.43Å; V148-F178 HydrophobicContact CB-CZ 4.41Å; V148-F178 HydrophobicContact CG1-CD1 3.82Å; V148-F178 HydrophobicContact CG1-CD2 4.36Å; V148-F178 HydrophobicContact CG1-CE1 3.99Å; V148-F178 HydrophobicContact CG1-CG 4.01Å; V148-F178 HydrophobicContact CG1-CZ 4.37Å; V148-F178 HydrophobicContact CG2-CD2 3.7Å; V148-F178 HydrophobicContact CG2-CE2 3.77Å; V148-F178 HydrophobicContact CG2-CG 4.17Å; V148-F178 HydrophobicContact CG2-CZ 4.23Å
149I98.3Very high97.4Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-61.6-45.8174.8-64.2-60.3000110.9F145 Y146 C151 F152 L153 L224 F227 V228 V249 V260F145-I149 HydrophobicContact CD2-CG1 4.41Å; F145-I149 HydrophobicContact CE1-CG1 4.21Å; F145-I149 HydrophobicContact CE2-CD1 3.9Å; F145-I149 HydrophobicContact CE2-CG1 4.01Å; F145-I149 HydrophobicContact CZ-CD1 3.89Å; F145-I149 HydrophobicContact CZ-CG1 3.9Å; F145-I149 WeakPolarHBondContact O-CG1 3.17Å; F145-I149 PolarHBondContact O-N 3.08Å; Y146-I149 PolarHBondContact O-N 3.47Å; I149-C151 PolarHBondContact O-N 2.83Å; I149-F152 PolarHBondContact O-N 3.49Å; I149-L153 HydrophobicContact CG2-CD1 4.1Å; I149-L153 WeakPolarHBondContact O-CG 3.46Å; I149-L153 PolarHBondContact O-N 3.17Å; I149-L224 HydrophobicContact CG2-CD1 3.91Å; I149-F227 HydrophobicContact CG2-CE1 4.34Å; I149-V228 HydrophobicContact CB-CG2 4.44Å; I149-V228 HydrophobicContact CG1-CG2 4.45Å; I149-V228 HydrophobicContact CG2-CG2 4.31Å; I149-V249 HydrophobicContact CD1-CG1 4.08Å; I149-V249 HydrophobicContact CD1-CG2 3.87Å; I149-V260 HydrophobicContact CD1-CG2 3.86Å
150K97.6Very high97.4Very high22 Ų2222.4 Ų22.410%0.09611%0.111CC..Hα-helixtrans-61.4-42.8174.2-75.7-170.1178.9-161.30111.8Y5 L10 E105 Y146 F152 L153 L154 L224Y5-K150 HydrophobicContact CE2-CB 4.24Å; Y5-K150 HydrophobicContact CE2-CD 4.19Å; Y5-K150 VanDerWaalsContact OH-CB 3.26Å; Y5-K150 WeakPolarHBondContact OH-CB 3.4Å; Y5-K150 WeakPolarHBondContact OH-CD 3.39Å; L10-K150 HydrophobicContact CD2-CB 4.38Å; E105-K150 IonicContact OE1-NZ 3.14Å; E105-K150 PolarHBondContact OE1-NZ 3.42Å; E105-K150 VanDerWaalsContact OE1-NZ 3.14Å; E105-K150 IonicContact OE2-NZ 2.69Å; E105-K150 PolarHBondContact OE2-NZ 2.92Å; Y146-K150 HydrophobicContact CD2-CD 4.16Å; Y146-K150 HydrophobicContact CD2-CG 3.89Å; Y146-K150 HydrophobicContact CE2-CD 3.99Å; Y146-K150 HydrophobicContact CE2-CG 3.8Å; Y146-K150 PolarHBondContact O-N 2.96Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 2.87Å; K150-L153 WeakPolarHBondContact O-CB 3.28Å; K150-L153 PolarHBondContact O-N 3.46Å; K150-L153 VanDerWaalsContact O-N 3.17Å; K150-L154 PolarHBondContact O-N 2.56Å; K150-L224 HydrophobicContact CG-CD2 4.24Å
151C97.9Very high97.5Very high2 Ų222.3 Ų22.31%0.01411%0.111CC..Hα-helixtrans-59.9-41.4175.6-171.10000112S147 V148 I149 L153 L154S147-C151 WeakPolarHBondContact O-CB 3.2Å; S147-C151 PolarHBondContact O-N 3.25Å; V148-C151 PolarHBondContact O-N 3.28Å; I149-C151 PolarHBondContact O-N 2.83Å; C151-L153 VanDerWaalsContact C-N 3.35Å; C151-L154 WeakPolarHBondContact O-CB 3.29Å; C151-L154 PolarHBondContact O-N 3.2Å
152F98.3Very high97.5Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-64.9-38.7175.7-176.7-96.8000112.1V148 I149 K150 L154 S155 S160 V162 V249 R251 V258V148-F152 PolarHBondContact O-N 3.31Å; I149-F152 PolarHBondContact O-N 3.49Å; K150-F152 VanDerWaalsContact C-N 3.32Å; K150-F152 PolarHBondContact O-N 2.87Å; F152-L154 PolarHBondContact O-N 3.5Å; F152-S155 WeakPolarHBondContact O-CB 3.44Å; F152-S155 PolarHBondContact O-N 3.35Å; F152-S160 WeakPolarHBondContact CE2-O 3.49Å; F152-V162 HydrophobicContact CD2-CB 4.26Å; F152-V162 HydrophobicContact CD2-CG2 3.67Å; F152-V162 HydrophobicContact CE2-CG2 4.41Å; F152-V249 HydrophobicContact CB-CG1 4.4Å; F152-V249 HydrophobicContact CD1-CG1 3.6Å; F152-V249 HydrophobicContact CD2-CG1 4.3Å; F152-V249 HydrophobicContact CE1-CG1 3.91Å; F152-V249 HydrophobicContact CG-CG1 3.83Å; F152-V249 HydrophobicContact CZ-CG1 4.39Å; F152-R251 HydrophobicContact CE1-CG 4.16Å; F152-R251 HydrophobicContact CZ-CG 4.24Å; F152-V258 HydrophobicContact CD1-CG1 3.86Å; F152-V258 HydrophobicContact CD1-CG2 3.99Å; F152-V258 HydrophobicContact CE1-CB 4.41Å; F152-V258 HydrophobicContact CE1-CG1 3.9Å; F152-V258 HydrophobicContact CE1-CG2 3.86Å
153L98.2Very high97.6Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-62.7-18.2177.2-77.4165.8000113.4L10 I11 I149 K150 C151 S155 L218 L221 L224 V258L10-L153 HydrophobicContact CB-CB 4.27Å; L10-L153 HydrophobicContact CD2-CB 3.87Å; I11-L153 WeakPolarHBondContact CA-O 3.39Å; I11-L153 WeakPolarHBondContact CB-O 3.18Å; I11-L153 PolarHBondContact N-O 3.19Å; I11-L153 WeakPolarHBondContact O-CD2 3.31Å; I149-L153 HydrophobicContact CG2-CD1 4.1Å; I149-L153 WeakPolarHBondContact O-CG 3.46Å; I149-L153 PolarHBondContact O-N 3.17Å; K150-L153 WeakPolarHBondContact O-CB 3.28Å; K150-L153 PolarHBondContact O-N 3.46Å; K150-L153 VanDerWaalsContact O-N 3.17Å; C151-L153 VanDerWaalsContact C-N 3.35Å; L153-S155 VanDerWaalsContact C-N 3.25Å; L153-S155 PolarHBondContact O-N 2.81Å; L153-L218 HydrophobicContact CD1-CD2 4.04Å; L153-L218 HydrophobicContact CD2-CD2 3.95Å; L153-L221 HydrophobicContact CD1-CD2 4.38Å; L153-L221 HydrophobicContact CD2-CD2 4.28Å; L153-L224 HydrophobicContact CD1-CD1 3.87Å; L153-L224 HydrophobicContact CD1-CD2 4.1Å; L153-V258 HydrophobicContact CD2-CG2 3.52Å; L153-V258 HydrophobicContact CG-CG2 4.4Å
154L97.9Very high97.7Very high3 Ų313.4 Ų13.42%0.0166%0.06CC..THydrogen-bonded Turntrans-70.1-23.1172.6-60172.9000112.8F3 Y5 D9 L10 S19 F21 V103 K150 C151 F152F3-L154 HydrophobicContact CD1-CD1 4.24Å; F3-L154 HydrophobicContact CE1-CD1 3.94Å; Y5-L154 HydrophobicContact CD1-CD1 3.82Å; Y5-L154 HydrophobicContact CD1-CD2 4.29Å; Y5-L154 HydrophobicContact CD2-CD2 3.81Å; Y5-L154 HydrophobicContact CE1-CD1 4.28Å; Y5-L154 HydrophobicContact CG-CD1 4.06Å; Y5-L154 HydrophobicContact CG-CD2 3.66Å; Y5-L154 HydrophobicContact CG-CG 4.4Å; D9-L154 HydrophobicContact CB-CD2 3.92Å; L10-L154 HydrophobicContact CD2-CD2 4.03Å; S19-L154 VanDerWaalsContact CB-O 3.31Å; S19-L154 WeakPolarHBondContact CB-O 3.45Å; S19-L154 PolarHBondContact OG-O 3.35Å; F21-L154 HydrophobicContact CB-CB 3.67Å; F21-L154 HydrophobicContact CD1-CB 3.95Å; F21-L154 HydrophobicContact CD2-CB 3.98Å; F21-L154 HydrophobicContact CD2-CD1 3.87Å; F21-L154 HydrophobicContact CE2-CD1 4.29Å; F21-L154 HydrophobicContact CG-CB 3.58Å; F21-L154 HydrophobicContact CG-CD1 4.34Å; V103-L154 HydrophobicContact CG1-CD1 3.66Å; K150-L154 PolarHBondContact O-N 2.56Å; C151-L154 WeakPolarHBondContact O-CB 3.29Å; C151-L154 PolarHBondContact O-N 3.2Å; F152-L154 PolarHBondContact O-N 3.5Å
155S97.4Very high97.8Very high0 Ų013.4 Ų13.40%06%0.059CC..  trans-85.5129.8179.6-179.60000111.4D22 F152 L153 N157 S160 R251D22-S155 WeakPolarHBondContact OD1-CA 3.49Å; D22-S155 WeakPolarHBondContact OD1-CB 3.44Å; D22-S155 PolarHBondContact OD1-OG 3.3Å; F152-S155 WeakPolarHBondContact O-CB 3.44Å; F152-S155 PolarHBondContact O-N 3.35Å; L153-S155 VanDerWaalsContact C-N 3.25Å; L153-S155 PolarHBondContact O-N 2.81Å; S155-N157 WeakPolarHBondContact OG-CB 3.21Å; S155-N157 PolarHBondContact OG-N 3.11Å; S155-S160 PolarHBondContact OG-OG 2.86Å; S155-R251 PolarHBondContact O-NE 3.44Å; S155-R251 PolarHBondContact O-NH2 2.86Å
156S96Very high97.8Very high1 Ų113.5 Ų13.51%0.0076%0.06CC..  trans-91-2.817168.80000112.6S14 T17 S19 D22 R158S14-S156 WeakPolarHBondContact CA-O 3.23Å; S14-S156 WeakPolarHBondContact CB-O 3.46Å; S14-S156 PolarHBondContact OG-O 3.36Å; T17-S156 WeakPolarHBondContact O-CB 3.33Å; T17-S156 PolarHBondContact O-OG 2.99Å; S19-S156 PolarHBondContact N-OG 3.36Å; D22-S156 PolarHBondContact OD2-N 2.62Å; D22-S156 PolarHBondContact OD2-OG 3.1Å; D22-S156 VanDerWaalsContact OD2-OG 3.11Å; S156-R158 PolarHBondContact O-N 3.15Å
157N96.2Very high97.7Very high33 Ų3311.4 Ų11.418%0.1765%0.052CC..  trans-73.7124.2-172.2-175.2-14.5000111.6S155 Y159 S160 Q182S155-N157 WeakPolarHBondContact OG-CB 3.21Å; S155-N157 PolarHBondContact OG-N 3.11Å; N157-Y159 PolarHBondContact O-N 2.88Å; N157-Y159 PolarHBondContact OD1-N 2.98Å; N157-S160 WeakPolarHBondContact CB-OG 3.2Å; N157-S160 PolarHBondContact O-N 3.34Å; N157-Q182 PolarHBondContact ND2-OE1 3.03Å
158R96.6Very high97.7Very high81 Ų8110.6 Ų10.631%0.3065%0.046SC..THydrogen-bonded Turntrans-67-18.8-179.571.7-164.5-64.8-146.510.3114N16 S156 Y186 M190N16-R158 WeakPolarHBondContact OD1-CD 3.39Å; S156-R158 PolarHBondContact O-N 3.15Å; R158-Y186 VanDerWaalsContact CZ-CE2 3.45Å; R158-Y186 PolarHBondContact NE-OH 3.49Å; R158-Y186 PolarHBondContact NH2-OH 3Å; R158-M190 WeakPolarHBondContact O-CE 3.5Å
159Y96.9Very high97.7Very high63 Ų6310.6 Ų10.625%0.2475%0.046CC..THydrogen-bonded Turntrans-105-3.1-178.1-61.7-70.9000113.3N157 S183 Y186N157-Y159 PolarHBondContact O-N 2.88Å; N157-Y159 PolarHBondContact OD1-N 2.98Å; Y159-S183 WeakPolarHBondContact CB-O 3.5Å; Y159-S183 PolarHBondContact O-N 2.71Å; Y159-Y186 HydrophobicContact CE1-CD1 4.47Å; Y159-Y186 AromaticContact CE1-CD2 3.84Å; Y159-Y186 HydrophobicContact CE1-CD2 3.84Å; Y159-Y186 AromaticContact CE1-CE2 3.95Å; Y159-Y186 HydrophobicContact CE1-CE2 3.95Å; Y159-Y186 HydrophobicContact CE1-CG 4.15Å
160S97.8Very high97.5Very high0 Ų012.3 Ų12.30%05%0.054CC..EExtended strand (participates in β ladder)trans-65.5137.8173.7-740000110.6F152 S155 N157 W181F152-S160 WeakPolarHBondContact CE2-O 3.49Å; S155-S160 PolarHBondContact OG-OG 2.86Å; N157-S160 WeakPolarHBondContact CB-OG 3.2Å; N157-S160 PolarHBondContact O-N 3.34Å; S160-W181 WeakPolarHBondContact CA-O 3.22Å
161C98.7Very high97.4Very high0 Ų011.6 Ų11.60%05%0.051CC..EExtended strand (participates in β ladder)trans-134.1141.8-178.4-68.50000108.8F180 W181 F248 V249C161-F180 CarbonylContact O-C 3.47Å; C161-F180 WeakPolarHBondContact O-CA 3.27Å; C161-W181 HydrophobicContact CB-CD2 3.62Å; C161-W181 HydrophobicContact CB-CE3 4.05Å; C161-W181 HydrophobicContact CB-CG 4.21Å; C161-W181 HydrophobicContact CB-CH2 3.85Å; C161-W181 HydrophobicContact CB-CZ2 3.4Å; C161-W181 HydrophobicContact CB-CZ3 4.14Å; C161-W181 PolarHBondContact N-O 3.39Å; C161-W181 PolarHBondContact O-N 3.41Å; C161-F248 HydrophobicContact CB-CE2 3.73Å; C161-F248 HydrophobicContact CB-CZ 4.26Å; C161-V249 CarbonylContact C-O 3.43Å; C161-V249 WeakPolarHBondContact CA-O 3.35Å
162V98.9Very high97Very high0 Ų012.6 Ų12.60%06%0.059CC..EExtended strand (participates in β ladder)trans-122.1142.4167.4166.20000109L128 V148 F152 F178 H179 F180 F248 V249L128-V162 HydrophobicContact CD1-CG1 4.23Å; L128-V162 HydrophobicContact CD1-CG2 3.73Å; V148-V162 HydrophobicContact CG1-CG1 3.73Å; F152-V162 HydrophobicContact CD2-CB 4.26Å; F152-V162 HydrophobicContact CD2-CG2 3.67Å; F152-V162 HydrophobicContact CE2-CG2 4.41Å; V162-F178 HydrophobicContact CG1-CB 3.89Å; V162-F178 HydrophobicContact CG1-CD1 3.69Å; V162-F178 HydrophobicContact CG1-CG 4.2Å; V162-H179 CarbonylContact C-O 3.54Å; V162-H179 WeakPolarHBondContact CA-O 3.32Å; V162-F180 HydrophobicContact CG2-CB 4.22Å; V162-F180 HydrophobicContact CG2-CD2 3.56Å; V162-F180 HydrophobicContact CG2-CE2 4.42Å; V162-F180 HydrophobicContact CG2-CG 4.32Å; V162-F248 CarbonylContact O-C 3.6Å; V162-F248 WeakPolarHBondContact O-CA 3.33Å; V162-V249 HydrophobicContact CB-CB 4.06Å; V162-V249 HydrophobicContact CB-CG2 4.3Å; V162-V249 HydrophobicContact CG1-CG2 4.29Å; V162-V249 PolarHBondContact N-O 3.17Å; V162-V249 PolarHBondContact O-N 3.12Å
163G98.8Very high96.8Very high0 Ų013 Ų130%06%0.061CC..EExtended strand (participates in β ladder)trans-142.5128.1-175.400000112.7F178 H179 V247G163-F178 CarbonylContact O-C 3.53Å; G163-F178 WeakPolarHBondContact O-CA 3.34Å; G163-H179 PolarHBondContact N-O 2.91Å; G163-H179 PolarHBondContact O-N 2.85Å; G163-V247 CarbonylContact C-O 3.56Å; G163-V247 WeakPolarHBondContact CA-O 3.16Å
164F98.8Very high96.6Very high1 Ų113.3 Ų13.30%0.0046%0.063CC..EExtended strand (participates in β ladder)trans-106.8139.9170.5-179.8-105.9000110.1Q138 L140 L176 F178 H245 N246 V247Q138-F164 HydrophobicContact CG-CE2 4.41Å; L140-F164 HydrophobicContact CB-CE1 4.23Å; L140-F164 HydrophobicContact CB-CE2 4.3Å; L140-F164 HydrophobicContact CB-CZ 3.9Å; L140-F164 HydrophobicContact CD2-CD1 4.47Å; F164-L176 HydrophobicContact CE2-CD1 3.88Å; F164-F178 HydrophobicContact CB-CD1 3.59Å; F164-F178 HydrophobicContact CB-CE1 3.52Å; F164-F178 HydrophobicContact CB-CG 4.33Å; F164-F178 HydrophobicContact CB-CZ 4.17Å; F164-F178 HydrophobicContact CD2-CD1 4.34Å; F164-F178 HydrophobicContact CD2-CD2 4.27Å; F164-F178 HydrophobicContact CD2-CE1 4.13Å; F164-F178 HydrophobicContact CD2-CE2 4.01Å; F164-F178 HydrophobicContact CD2-CG 4.41Å; F164-F178 AromaticContact CD2-CZ 3.94Å; F164-F178 HydrophobicContact CD2-CZ 3.94Å; F164-F178 HydrophobicContact CG-CD1 4.39Å; F164-F178 HydrophobicContact CG-CE1 4.08Å; F164-F178 HydrophobicContact CG-CZ 4.24Å; F164-H245 AromaticContact CE1-NE2 3.66Å; F164-N246 VanDerWaalsContact O-CA 3.28Å; F164-N246 WeakPolarHBondContact O-CA 3.43Å; F164-V247 HydrophobicContact CB-CB 3.97Å; F164-V247 HydrophobicContact CB-CG2 4.42Å; F164-V247 HydrophobicContact CD1-CG2 4.17Å; F164-V247 PolarHBondContact N-O 3.24Å; F164-V247 PolarHBondContact O-N 3.4Å
165N98.6Very high96.5Very high6 Ų613.2 Ų13.23%0.0326%0.062CC..EExtended strand (participates in β ladder)trans-120.7120.9167.6-57.3-55.1000106.4Q138 A169 A171 N246 V287Q138-N165 PolarHBondContact NE2-O 2.81Å; N165-A169 WeakPolarHBondContact CB-O 3.27Å; N165-A171 HydrophobicContact CB-CB 4.27Å; N165-A171 WeakPolarHBondContact O-CB 3.13Å; N165-N246 PolarHBondContact OD1-ND2 3.35Å; N165-V287 VanDerWaalsContact OD1-CB 3.26Å; N165-V287 WeakPolarHBondContact OD1-CB 3.25Å; N165-V287 VanDerWaalsContact OD1-CG1 3.31Å; N165-V287 WeakPolarHBondContact OD1-CG1 3.41Å; N165-V287 PolarHBondContact OD1-N 2.54Å
166S98.5Very high96.6Very high2 Ų213.3 Ų13.31%0.0146%0.063CC..  trans-65.3164.8168.375.10000110.3A169 A171 H245S166-A169 WeakPolarHBondContact O-CA 3.27Å; S166-A169 WeakPolarHBondContact O-CB 3.16Å; S166-A169 PolarHBondContact O-N 2.76Å; S166-A169 VanDerWaalsContact OG-CB 3.28Å; S166-A169 WeakPolarHBondContact OG-CB 3.35Å; S166-A171 VanDerWaalsContact O-CB 3.29Å; S166-A171 WeakPolarHBondContact O-CB 3.32Å; S166-A171 PolarHBondContact O-N 3.09Å; S166-H245 WeakPolarHBondContact CB-O 3.21Å; S166-H245 PolarHBondContact N-O 2.89Å; S166-H245 PolarHBondContact OG-N 2.76Å; S166-H245 PolarHBondContact OG-O 3.05Å
167L96.2Very high96.7Very high0 Ų013.5 Ų13.50%06%0.063CC..THydrogen-bonded Turntrans-54.7147.4158.9-57.8-175.3000109.1F77 D82 Q138 A169 A171 N174F77-L167 HydrophobicContact CB-CB 4.46Å; F77-L167 HydrophobicContact CD1-CD1 4.13Å; F77-L167 HydrophobicContact CD1-CD2 3.98Å; F77-L167 HydrophobicContact CD2-CB 4.35Å; F77-L167 HydrophobicContact CD2-CD2 3.77Å; F77-L167 HydrophobicContact CE1-CD2 3.82Å; F77-L167 HydrophobicContact CE2-CD2 3.57Å; F77-L167 HydrophobicContact CG-CB 4.32Å; F77-L167 HydrophobicContact CG-CD1 4.32Å; F77-L167 HydrophobicContact CG-CD2 3.95Å; F77-L167 HydrophobicContact CG-CG 4.44Å; F77-L167 HydrophobicContact CZ-CD2 3.58Å; D82-L167 HydrophobicContact CB-CD1 3.82Å; Q138-L167 HydrophobicContact CB-CD2 3.66Å; Q138-L167 HydrophobicContact CB-CG 3.97Å; Q138-L167 HydrophobicContact CG-CD2 3.99Å; Q138-L167 HydrophobicContact CG-CG 4.37Å; L167-A169 PolarHBondContact O-N 2.86Å; L167-A169 VanDerWaalsContact O-N 3.09Å; L167-A171 HydrophobicContact CD2-CB 4.01Å; L167-N174 HydrophobicContact CD2-CB 4.37Å
168L96.7Very high96.8Very high9 Ų911.9 Ų11.95%0.0476%0.055CC..THydrogen-bonded Turntrans63.4-0.3-169.1-48.1178.1000115.6F77 I80 A244 V268 F269F77-L168 HydrophobicContact CB-CD2 3.95Å; F77-L168 WeakPolarHBondContact O-CD2 3.5Å; I80-L168 HydrophobicContact CG2-CB 4.4Å; I80-L168 HydrophobicContact CG2-CD1 4Å; I80-L168 HydrophobicContact CG2-CG 4.38Å; L168-A244 HydrophobicContact CB-CB 4.03Å; L168-V268 WeakPolarHBondContact CD2-O 3.49Å; L168-V268 PolarHBondContact O-N 3.37Å; L168-F269 HydrophobicContact CD1-CD1 4.16Å; L168-F269 HydrophobicContact CD1-CE1 3.54Å; L168-F269 HydrophobicContact CD1-CZ 3.96Å; L168-F269 HydrophobicContact CD2-CD1 3.72Å; L168-F269 HydrophobicContact CD2-CE1 3.99Å; L168-F269 HydrophobicContact CD2-CG 4.4Å; L168-F269 HydrophobicContact CG-CE1 4.42Å
169A97.1Very high96.9Very high0 Ų08.8 Ų8.80%04%0.044CC..THydrogen-bonded Turntrans-11233.9172.900000112.7N165 S166 L167 A244 H245 N246 R265N165-A169 WeakPolarHBondContact CB-O 3.27Å; S166-A169 WeakPolarHBondContact O-CA 3.27Å; S166-A169 WeakPolarHBondContact O-CB 3.16Å; S166-A169 PolarHBondContact O-N 2.76Å; S166-A169 VanDerWaalsContact OG-CB 3.28Å; S166-A169 WeakPolarHBondContact OG-CB 3.35Å; L167-A169 PolarHBondContact O-N 2.86Å; L167-A169 VanDerWaalsContact O-N 3.09Å; A169-A244 HydrophobicContact CB-CB 4.15Å; A169-H245 WeakPolarHBondContact CB-O 3.3Å; A169-N246 PolarHBondContact O-ND2 3.16Å; A169-R265 VanDerWaalsContact C-NH1 3.29Å; A169-R265 VanDerWaalsContact CA-NH1 3.27Å; A169-R265 HydrophobicContact CB-CG 4.5Å
170H94.5Very high97Very high36 Ų365.9 Ų5.917%0.1673%0.032CC..THydrogen-bonded Turntrans6723.7-174.8-54.2-61.3000116.8S172 R265 Y284 V285 A286H170-S172 PolarHBondContact O-N 3.27Å; H170-R265 PolarHBondContact CD2-NH1 2.94Å; H170-R265 PolarHBondContact NE2-NH1 3.08Å; H170-R265 PolarHBondContact NE2-NH2 3.34Å; H170-R265 VanDerWaalsContact NE2-NH2 3.12Å; H170-Y284 AromaticContact CE1-CD1 3.8Å; H170-Y284 AromaticContact ND1-CD1 3.76Å; H170-V285 VanDerWaalsContact CD2-C 3.45Å; H170-V285 PolarHBondContact CD2-O 3.2Å; H170-A286 HydrophobicContact CB-CB 3.85Å
171A94.7Very high97Very high6 Ų65.9 Ų5.95%0.053%0.032CC..  trans-55.9137157.700000110.4Q138 N165 S166 L167Q138-A171 HydrophobicContact CG-CB 3.83Å; N165-A171 HydrophobicContact CB-CB 4.27Å; N165-A171 WeakPolarHBondContact O-CB 3.13Å; S166-A171 VanDerWaalsContact O-CB 3.29Å; S166-A171 WeakPolarHBondContact O-CB 3.32Å; S166-A171 PolarHBondContact O-N 3.09Å; L167-A171 HydrophobicContact CD2-CB 4.01Å
172S90.9Very high97Very high24 Ų248.3 Ų8.317%0.1684%0.044CC..  trans-92.9-26.3-178.4-59.40000113.4Q75 H170Q75-S172 PolarHBondContact N-O 3.11Å; H170-S172 PolarHBondContact O-N 3.27Å
173V92.9Very high96.9Very high9 Ų98.4 Ų8.46%0.0555%0.045CC..SBendtrans-137.9151.4-177.3-610000110.1F89 F91 H175F89-V173 HydrophobicContact CD1-CB 3.87Å; F89-V173 HydrophobicContact CD1-CG1 3.67Å; F89-V173 HydrophobicContact CD1-CG2 4.16Å; F89-V173 HydrophobicContact CE1-CB 4.37Å; F89-V173 HydrophobicContact CE1-CG1 4.14Å; F89-V173 HydrophobicContact CE1-CG2 4.18Å; F89-V173 HydrophobicContact CG-CG1 4.42Å; F91-V173 HydrophobicContact CE2-CG2 4.25Å; F91-V173 HydrophobicContact CZ-CG2 3.93Å; V173-H175 PolarHBondContact O-N 3.34Å
174N94.9Very high96.7Very high6 Ų610.2 Ų10.23%0.0326%0.056CC..SBendtrans-9153.3180-167.414.4000113.8F77 D82 Q83 L84 N137 Q138 L167F77-N174 HydrophobicContact CE1-CB 3.78Å; F77-N174 HydrophobicContact CZ-CB 4.2Å; D82-N174 PolarHBondContact O-ND2 2.94Å; Q83-N174 PolarHBondContact O-ND2 2.86Å; L84-N174 HydrophobicContact CD2-CB 4.44Å; L84-N174 WeakPolarHBondContact CD2-O 3.4Å; L84-N174 VanDerWaalsContact CG-O 3.23Å; L84-N174 WeakPolarHBondContact CG-O 3.44Å; N137-N174 WeakPolarHBondContact CB-OD1 3.21Å; Q138-N174 PolarHBondContact N-OD1 3.19Å; L167-N174 HydrophobicContact CD2-CB 4.37Å
175H96.1Very high96.6Very high1 Ų113.6 Ų13.61%0.0057%0.072CC..SBendtrans-138.5122.9173.1179.5-171.2000108.6F91 H136 Q138 V173 H177F91-H175 HydrophobicContact CD2-CB 4.12Å; F91-H175 AromaticContact CD2-CE1 3.67Å; F91-H175 AromaticContact CD2-CG 3.67Å; F91-H175 AromaticContact CD2-ND1 3.12Å; F91-H175 WeakPolarHBondContact CD2-ND1 3.44Å; F91-H175 HydrophobicContact CE2-CB 4.14Å; F91-H175 AromaticContact CE2-ND1 4Å; F91-H175 AromaticContact CG-ND1 3.68Å; F91-H175 PolarHBondContact N-CE1 2.8Å; F91-H175 PolarHBondContact N-ND1 3.38Å; H136-H175 CarbonylContact O-C 3.53Å; H136-H175 WeakPolarHBondContact O-CA 3.34Å; H136-H175 PolarHBondContact O-CD2 3.47Å; H136-H175 VanDerWaalsContact O-CD2 3.24Å; Q138-H175 PolarHBondContact OE1-O 3.29Å; V173-H175 PolarHBondContact O-N 3.34Å; H175-H177 PolarHBondContact O-N 2.88Å; H175-H177 PolarHBondContact O-ND1 2.97Å
176L98.1Very high96.5Very high1 Ų114.6 Ų14.61%0.0058%0.076CC..  trans-45.9109.4-171.6-172.957.4000112.9V129 H136 N137 L140 F164 F178V129-L176 WeakPolarHBondContact CG1-O 3.36Å; H136-L176 HydrophobicContact CB-CB 3.74Å; H136-L176 HydrophobicContact CB-CD2 3.98Å; H136-L176 PolarHBondContact O-N 3.31Å; N137-L176 WeakPolarHBondContact O-CB 2.97Å; L140-L176 HydrophobicContact CD1-CD1 4.16Å; F164-L176 HydrophobicContact CE2-CD1 3.88Å; L176-F178 HydrophobicContact CD1-CE2 4.44Å
177H98.4Very high96.4Very high5 Ų514.6 Ų14.62%0.0238%0.075CC..  trans-146.3155.6175.463.9-69.9000111.7F91 L128 V129 Q138 H175 H179F91-H177 HydrophobicContact CE2-CB 3.73Å; F91-H177 AromaticContact CE2-CG 3.83Å; F91-H177 AromaticContact CE2-ND1 3.88Å; F91-H177 HydrophobicContact CZ-CB 4.25Å; L128-H177 CarbonylContact O-C 3.59Å; L128-H177 VanDerWaalsContact O-CA 3.29Å; L128-H177 WeakPolarHBondContact O-CA 3.44Å; V129-H177 HydrophobicContact CG2-CB 4.18Å; Q138-H177 PolarHBondContact NE2-O 3.48Å; Q138-H177 PolarHBondContact OE1-CE1 2.79Å; Q138-H177 PolarHBondContact OE1-ND1 2.91Å; H175-H177 PolarHBondContact O-N 2.88Å; H175-H177 PolarHBondContact O-ND1 2.97Å; H177-H179 AromaticContact NE2-NE2 3.86Å
178F98.8Very high96.5Very high0 Ų014.8 Ų14.80%08%0.076CC..EExtended strand (participates in β ladder)trans-116.9150.9165-65.7-117.1000108.4L127 L128 L140 F145 V148 V162 G163 F164 L176L127-F178 CarbonylContact C-O 3.59Å; L127-F178 VanDerWaalsContact CA-O 3.29Å; L127-F178 WeakPolarHBondContact CA-O 3.2Å; L128-F178 HydrophobicContact CB-CB 4.21Å; L128-F178 PolarHBondContact N-O 2.65Å; L128-F178 PolarHBondContact O-N 2.98Å; L140-F178 HydrophobicContact CD1-CE2 3.65Å; L140-F178 HydrophobicContact CD1-CZ 3.42Å; L140-F178 VanDerWaalsContact CD1-CZ 3.42Å; L140-F178 HydrophobicContact CD2-CZ 3.83Å; L140-F178 HydrophobicContact CG-CZ 4.28Å; F145-F178 HydrophobicContact CD2-CE1 4.4Å; F145-F178 HydrophobicContact CD2-CZ 4.27Å; V148-F178 HydrophobicContact CB-CE2 4.43Å; V148-F178 HydrophobicContact CB-CZ 4.41Å; V148-F178 HydrophobicContact CG1-CD1 3.82Å; V148-F178 HydrophobicContact CG1-CD2 4.36Å; V148-F178 HydrophobicContact CG1-CE1 3.99Å; V148-F178 HydrophobicContact CG1-CG 4.01Å; V148-F178 HydrophobicContact CG1-CZ 4.37Å; V148-F178 HydrophobicContact CG2-CD2 3.7Å; V148-F178 HydrophobicContact CG2-CE2 3.77Å; V148-F178 HydrophobicContact CG2-CG 4.17Å; V148-F178 HydrophobicContact CG2-CZ 4.23Å; V162-F178 HydrophobicContact CG1-CB 3.89Å; V162-F178 HydrophobicContact CG1-CD1 3.69Å; V162-F178 HydrophobicContact CG1-CG 4.2Å; G163-F178 CarbonylContact O-C 3.53Å; G163-F178 WeakPolarHBondContact O-CA 3.34Å; F164-F178 HydrophobicContact CB-CD1 3.59Å; F164-F178 HydrophobicContact CB-CE1 3.52Å; F164-F178 HydrophobicContact CB-CG 4.33Å; F164-F178 HydrophobicContact CB-CZ 4.17Å; F164-F178 HydrophobicContact CD2-CD1 4.34Å; F164-F178 HydrophobicContact CD2-CD2 4.27Å; F164-F178 HydrophobicContact CD2-CE1 4.13Å; F164-F178 HydrophobicContact CD2-CE2 4.01Å; F164-F178 HydrophobicContact CD2-CG 4.41Å; F164-F178 AromaticContact CD2-CZ 3.94Å; F164-F178 HydrophobicContact CD2-CZ 3.94Å; F164-F178 HydrophobicContact CG-CD1 4.39Å; F164-F178 HydrophobicContact CG-CE1 4.08Å; F164-F178 HydrophobicContact CG-CZ 4.24Å; L176-F178 HydrophobicContact CD1-CE2 4.44Å
179H98.7Very high96.6Very high16 Ų1614.4 Ų14.47%0.0747%0.074CC..EExtended strand (participates in β ladder)trans-81.3140.4165.5-65-94000108.9H125 V162 G163 H177 W181H125-H179 AromaticContact CE1-ND1 3.68Å; H125-H179 AromaticContact NE2-CE1 3.84Å; H125-H179 AromaticContact NE2-CG 3.8Å; H125-H179 AromaticContact NE2-ND1 2.87Å; H125-H179 PolarHBondContact NE2-ND1 3.21Å; V162-H179 CarbonylContact C-O 3.54Å; V162-H179 WeakPolarHBondContact CA-O 3.32Å; G163-H179 PolarHBondContact N-O 2.91Å; G163-H179 PolarHBondContact O-N 2.85Å; H177-H179 AromaticContact NE2-NE2 3.86Å; H179-W181 HydrophobicContact CB-CE3 3.96Å; H179-W181 HydrophobicContact CB-CZ3 3.87Å
180F98.8Very high96.7Very high1 Ų114.4 Ų14.40%0.0047%0.074CC..EExtended strand (participates in β ladder)trans-121135.8164.2176.7-80.4000107.7F21 L25 L124 H125 S126 L128 C161 V162F21-F180 HydrophobicContact CE1-CE2 4.44Å; F21-F180 HydrophobicContact CE1-CZ 4.48Å; L25-F180 HydrophobicContact CD2-CD1 3.97Å; L25-F180 HydrophobicContact CD2-CE1 3.48Å; L25-F180 VanDerWaalsContact CD2-CE1 3.48Å; L25-F180 HydrophobicContact CD2-CZ 3.83Å; L124-F180 HydrophobicContact CB-CD1 4.45Å; L124-F180 HydrophobicContact CB-CE1 4.15Å; L124-F180 HydrophobicContact CD1-CE1 4.32Å; H125-F180 CarbonylContact C-O 3.55Å; H125-F180 VanDerWaalsContact CA-O 3.26Å; H125-F180 WeakPolarHBondContact CA-O 3.38Å; S126-F180 PolarHBondContact N-O 2.77Å; S126-F180 PolarHBondContact O-N 2.84Å; L128-F180 HydrophobicContact CD1-CB 4.28Å; L128-F180 HydrophobicContact CD1-CD2 4.45Å; L128-F180 HydrophobicContact CD2-CB 4.08Å; L128-F180 HydrophobicContact CG-CB 3.98Å; C161-F180 CarbonylContact O-C 3.47Å; C161-F180 WeakPolarHBondContact O-CA 3.27Å; V162-F180 HydrophobicContact CG2-CB 4.22Å; V162-F180 HydrophobicContact CG2-CD2 3.56Å; V162-F180 HydrophobicContact CG2-CE2 4.42Å; V162-F180 HydrophobicContact CG2-CG 4.32Å
181W98.4Very high96.8Very high0 Ų014 Ų140%08%0.075CC..EExtended strand (participates in β ladder)trans-153.6161.7173.968.8100.1000110.9F121 H125 S160 C161 H179 F248 V287 A288 M293F121-W181 HydrophobicContact CE2-CB 4.01Å; F121-W181 AromaticContact CE2-CD1 3.79Å; F121-W181 AromaticContact CE2-CD2 3.84Å; F121-W181 HydrophobicContact CE2-CD2 3.84Å; F121-W181 HydrophobicContact CE2-CE3 4.46Å; F121-W181 AromaticContact CE2-CG 3.61Å; F121-W181 HydrophobicContact CE2-CG 3.61Å; F121-W181 HydrophobicContact CZ-CB 4.33Å; F121-W181 AromaticContact CZ-CD2 3.8Å; F121-W181 HydrophobicContact CZ-CD2 3.8Å; F121-W181 AromaticContact CZ-CE3 3.96Å; F121-W181 HydrophobicContact CZ-CE3 3.96Å; F121-W181 AromaticContact CZ-CG 3.98Å; F121-W181 HydrophobicContact CZ-CG 3.98Å; H125-W181 HydrophobicContact CB-CB 4.28Å; S160-W181 WeakPolarHBondContact CA-O 3.22Å; C161-W181 HydrophobicContact CB-CD2 3.62Å; C161-W181 HydrophobicContact CB-CE3 4.05Å; C161-W181 HydrophobicContact CB-CG 4.21Å; C161-W181 HydrophobicContact CB-CH2 3.85Å; C161-W181 HydrophobicContact CB-CZ2 3.4Å; C161-W181 HydrophobicContact CB-CZ3 4.14Å; C161-W181 PolarHBondContact N-O 3.39Å; C161-W181 PolarHBondContact O-N 3.41Å; H179-W181 HydrophobicContact CB-CE3 3.96Å; H179-W181 HydrophobicContact CB-CZ3 3.87Å; W181-F248 AromaticContact CH2-CD2 3.95Å; W181-F248 HydrophobicContact CH2-CD2 3.95Å; W181-F248 AromaticContact CH2-CE2 3.92Å; W181-F248 HydrophobicContact CH2-CE2 3.92Å; W181-F248 HydrophobicContact CZ2-CD2 4.23Å; W181-F248 AromaticContact CZ2-CE2 3.74Å; W181-F248 HydrophobicContact CZ2-CE2 3.74Å; W181-V287 HydrophobicContact CH2-CG1 4.41Å; W181-A288 HydrophobicContact CZ2-CB 4.35Å; W181-M293 HydrophobicContact CZ2-CE 4.49Å
182Q97.6Very high97Very high52 Ų5214.3 Ų14.324%0.2438%0.077CC..EExtended strand (participates in β ladder)trans-93.7122163.7-176.3173.3-63.500108.7S122 Y123 L124 N157S122-Q182 WeakPolarHBondContact CB-O 3.05Å; S122-Q182 PolarHBondContact OG-O 2.96Å; Y123-Q182 HydrophobicContact CD1-CB 4.34Å; Y123-Q182 PolarHBondContact O-N 3.48Å; L124-Q182 HydrophobicContact CB-CB 4.49Å; L124-Q182 HydrophobicContact CD1-CB 4.42Å; N157-Q182 PolarHBondContact ND2-OE1 3.03Å
183S97.2Very high97.2Very high2 Ų218.4 Ų18.41%0.01410%0.097CC..  trans-75.5142.5173.9-168.60000111.1Y159 E185 L187Y159-S183 WeakPolarHBondContact CB-O 3.5Å; Y159-S183 PolarHBondContact O-N 2.71Å; S183-E185 WeakPolarHBondContact CB-O 3.46Å; S183-E185 PolarHBondContact O-N 3.49Å; S183-E185 PolarHBondContact OG-O 2.93Å; S183-L187 WeakPolarHBondContact OG-CD2 3.36Å; S183-L187 WeakPolarHBondContact OG-CG 3.49Å
184P95.8Very high97.5Very high38 Ų3820.2 Ų20.225%0.24711%0.105CC..SBendtrans-60.4-32172.8-31.441.3000114.7L46 L60L46-P184 HydrophobicContact CD1-CB 3.59Å; L46-P184 HydrophobicContact CD1-CG 4.06Å; L46-P184 HydrophobicContact CD2-CB 4.06Å; L46-P184 HydrophobicContact CD2-CG 3.61Å; L46-P184 HydrophobicContact CG-CB 4.47Å; L46-P184 HydrophobicContact CG-CG 4.49Å; L60-P184 HydrophobicContact CD2-CB 3.93Å; L60-P184 HydrophobicContact CD2-CG 3.83Å
185E94.9Very high97.6Very high71 Ų7124.8 Ų24.833%0.33213%0.125SC..SBendtrans-140.6175.7-176.4-69.7-159.1-173.900110.7K51 S183 L187K51-E185 WeakPolarHBondContact CE-OE2 3.36Å; K51-E185 IonicContact NZ-OE1 2.77Å; K51-E185 IonicContact NZ-OE2 3.8Å; K51-E185 PolarHBondContact NZ-OE2 3.43Å; S183-E185 WeakPolarHBondContact CB-O 3.46Å; S183-E185 PolarHBondContact O-N 3.49Å; S183-E185 PolarHBondContact OG-O 2.93Å; E185-L187 PolarHBondContact O-N 2.74Å
186Y96.6Very high97.6Very high28 Ų2829.2 Ų29.211%0.1115%0.148CC..  trans-67117.8163.6-79.2-68.6000110.5R158 Y159 M190 K253R158-Y186 VanDerWaalsContact CZ-CE2 3.45Å; R158-Y186 PolarHBondContact NE-OH 3.49Å; R158-Y186 PolarHBondContact NH2-OH 3Å; Y159-Y186 HydrophobicContact CE1-CD1 4.47Å; Y159-Y186 AromaticContact CE1-CD2 3.84Å; Y159-Y186 HydrophobicContact CE1-CD2 3.84Å; Y159-Y186 AromaticContact CE1-CE2 3.95Å; Y159-Y186 HydrophobicContact CE1-CE2 3.95Å; Y159-Y186 HydrophobicContact CE1-CG 4.15Å; Y186-M190 HydrophobicContact CD1-CB 3.9Å; Y186-M190 HydrophobicContact CD1-CE 3.55Å; Y186-M190 HydrophobicContact CD1-SD 4.17Å; Y186-M190 HydrophobicContact CE1-CE 3.83Å; Y186-K253 HydrophobicContact CD1-CB 3.73Å; Y186-K253 HydrophobicContact CD1-CD 4.32Å; Y186-K253 HydrophobicContact CD1-CG 4.06Å; Y186-K253 HydrophobicContact CD2-CB 4.48Å; Y186-K253 HydrophobicContact CD2-CD 3.71Å; Y186-K253 HydrophobicContact CD2-CG 3.89Å; Y186-K253 HydrophobicContact CE1-CB 3.64Å; Y186-K253 HydrophobicContact CE1-CG 3.92Å; Y186-K253 HydrophobicContact CE2-CB 4.38Å; Y186-K253 HydrophobicContact CE2-CD 4.03Å; Y186-K253 HydrophobicContact CE2-CG 3.72Å; Y186-K253 HydrophobicContact CG-CB 4.12Å; Y186-K253 HydrophobicContact CG-CD 3.82Å; Y186-K253 HydrophobicContact CG-CG 4.01Å
187L98.1Very high97.5Very high2 Ų230.1 Ų30.11%0.0115%0.152CC..  trans-75.4158.4173-54.9-174.2000110.9S183 E185 A189 M190 S191 F248 A291 M293S183-L187 WeakPolarHBondContact OG-CD2 3.36Å; S183-L187 WeakPolarHBondContact OG-CG 3.49Å; E185-L187 PolarHBondContact O-N 2.74Å; L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.31Å; L187-M190 HydrophobicContact CB-CG 4.26Å; L187-M190 HydrophobicContact CB-SD 3.92Å; L187-M190 HydrophobicContact CG-SD 4.05Å; L187-M190 PolarHBondContact N-SD 2.85Å; L187-M190 VanDerWaalsContact N-SD 3.38Å; L187-M190 WeakPolarHBondContact O-CA 3.21Å; L187-M190 VanDerWaalsContact O-CB 3.3Å; L187-M190 WeakPolarHBondContact O-CB 3.44Å; L187-M190 PolarHBondContact O-N 2.76Å; L187-S191 PolarHBondContact O-N 3Å; L187-S191 PolarHBondContact O-OG 2.98Å; L187-F248 HydrophobicContact CD1-CE2 4.37Å; L187-F248 HydrophobicContact CD1-CZ 4.28Å; L187-A291 VanDerWaalsContact CB-O 3.27Å; L187-A291 WeakPolarHBondContact CB-O 3.38Å; L187-A291 HydrophobicContact CD1-CB 3.91Å; L187-M293 HydrophobicContact CD1-CB 4.02Å; L187-M293 HydrophobicContact CD2-CB 3.74Å; L187-M293 HydrophobicContact CD2-CG 4.39Å; L187-M293 HydrophobicContact CD2-SD 4.41Å
188R98.2Very high97.2Very high4 Ų432.2 Ų32.22%0.01516%0.16CC..Hα-helixtrans-46.3-50.4176.5174.5-176-165.8160.113.3112.6V57 M190 S191 T192 N208 H209 A291 E311V57-R188 HydrophobicContact CG1-CB 4.38Å; V57-R188 HydrophobicContact CG1-CG 3.88Å; R188-M190 PolarHBondContact O-N 3.01Å; R188-M190 VanDerWaalsContact O-N 3.13Å; R188-S191 PolarHBondContact O-N 3.02Å; R188-S191 VanDerWaalsContact O-N 3.1Å; R188-T192 WeakPolarHBondContact CG-OG1 3.3Å; R188-T192 VanDerWaalsContact O-CB 3.25Å; R188-T192 WeakPolarHBondContact O-CB 3.4Å; R188-T192 PolarHBondContact O-N 3.24Å; R188-T192 PolarHBondContact O-OG1 3.44Å; R188-T192 VanDerWaalsContact O-OG1 3.06Å; R188-N208 PolarHBondContact NH2-O 3.43Å; R188-H209 PolarHBondContact NE-CD2 3.27Å; R188-A291 WeakPolarHBondContact CB-O 3.08Å; R188-A291 PolarHBondContact N-O 3.3Å; R188-A291 VanDerWaalsContact N-O 3.08Å; R188-E311 IonicContact CZ-OE1 3.3Å; R188-E311 VanDerWaalsContact CZ-OE1 3.25Å; R188-E311 IonicContact NH1-OE1 2.69Å; R188-E311 PolarHBondContact NH1-OE1 2.84Å; R188-E311 IonicContact NH2-OE1 3.75Å; R188-E311 PolarHBondContact NH2-OE1 2.76Å; R188-E311 IonicContact NH2-OE2 3.14Å
189A98.5Very high96.7Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-61.8-23.4-178.600000113.5L187 L206 F248 R259 V261 W263 A291L187-A189 VanDerWaalsContact C-N 3.28Å; L187-A189 PolarHBondContact O-N 3.31Å; A189-L206 HydrophobicContact CB-CD1 4.01Å; A189-F248 HydrophobicContact CB-CD1 3.82Å; A189-F248 HydrophobicContact CB-CE1 3.65Å; A189-R259 WeakPolarHBondContact O-CD 3.42Å; A189-R259 PolarHBondContact O-NH1 2.82Å; A189-V261 HydrophobicContact CB-CG2 4.4Å; A189-W263 HydrophobicContact CB-CH2 3.99Å; A189-W263 HydrophobicContact CB-CZ2 4.04Å; A189-A291 HydrophobicContact CB-CB 4.11Å; A189-A291 PolarHBondContact N-O 2.97Å
190M98.1Very high95.7Very high1 Ų147.8 Ų47.81%0.00524%0.238CC..Hα-helixtrans-85.3-33.7176.3-53.916674.400112.3R158 Y186 L187 R188 F248 A250 K253R158-M190 WeakPolarHBondContact O-CE 3.5Å; Y186-M190 HydrophobicContact CD1-CB 3.9Å; Y186-M190 HydrophobicContact CD1-CE 3.55Å; Y186-M190 HydrophobicContact CD1-SD 4.17Å; Y186-M190 HydrophobicContact CE1-CE 3.83Å; L187-M190 HydrophobicContact CB-CG 4.26Å; L187-M190 HydrophobicContact CB-SD 3.92Å; L187-M190 HydrophobicContact CG-SD 4.05Å; L187-M190 PolarHBondContact N-SD 2.85Å; L187-M190 VanDerWaalsContact N-SD 3.38Å; L187-M190 WeakPolarHBondContact O-CA 3.21Å; L187-M190 VanDerWaalsContact O-CB 3.3Å; L187-M190 WeakPolarHBondContact O-CB 3.44Å; L187-M190 PolarHBondContact O-N 2.76Å; R188-M190 PolarHBondContact O-N 3.01Å; R188-M190 VanDerWaalsContact O-N 3.13Å; M190-F248 HydrophobicContact CG-CE1 4.03Å; M190-F248 HydrophobicContact CG-CZ 4.01Å; M190-F248 HydrophobicContact SD-CZ 4.47Å; M190-A250 HydrophobicContact CE-CB 4.24Å; M190-A250 HydrophobicContact CG-CB 3.71Å; M190-A250 HydrophobicContact SD-CB 4.28Å; M190-K253 PolarHBondContact O-N 3.48Å
191S97.5Very high95Very high27 Ų2748.3 Ų48.319%0.18924%0.242CC..Hα-helixtrans-101.4-21.8-171.460.60000115.3L187 R188L187-S191 PolarHBondContact O-N 3Å; L187-S191 PolarHBondContact O-OG 2.98Å; R188-S191 PolarHBondContact O-N 3.02Å; R188-S191 VanDerWaalsContact O-N 3.1Å
192T97.7Very high94.6Very high13 Ų1352.3 Ų52.38%0.0826%0.26CS..SBendtrans-69.6137.5-179-71.50000110.8R188 L206 V207 R259R188-T192 WeakPolarHBondContact CG-OG1 3.3Å; R188-T192 VanDerWaalsContact O-CB 3.25Å; R188-T192 WeakPolarHBondContact O-CB 3.4Å; R188-T192 PolarHBondContact O-N 3.24Å; R188-T192 PolarHBondContact O-OG1 3.44Å; R188-T192 VanDerWaalsContact O-OG1 3.06Å; T192-L206 HydrophobicContact CG2-CB 3.98Å; T192-L206 HydrophobicContact CG2-CD2 4.32Å; T192-V207 HydrophobicContact CG2-CB 4.35Å; T192-V207 VanDerWaalsContact CG2-O 3.29Å; T192-V207 WeakPolarHBondContact CG2-O 3.4Å; T192-R259 PolarHBondContact O-NH1 2.8Å
193D97.2Very high94.6Very high110 Ų11049.8 Ų49.859%0.58825%0.248SC*.  trans-62.8152.8173-65.2-37.9000111.2V207D193-V207 HydrophobicContact CB-CG2 4.39Å; D193-V207 WeakPolarHBondContact O-CG2 3.22Å; D193-V207 PolarHBondContact O-N 3.26Å
194I97.7Very high94.6Very high46 Ų4653.9 Ų53.924%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-112.6144.1176.961.2173.3000109.6Y204 E205 L206 V215 E217I194-Y204 HydrophobicContact CB-CD1 4.36Å; I194-Y204 HydrophobicContact CD1-CD1 3.93Å; I194-Y204 HydrophobicContact CD1-CD2 4.47Å; I194-Y204 HydrophobicContact CD1-CG 3.93Å; I194-Y204 HydrophobicContact CG1-CD1 4.08Å; I194-Y204 HydrophobicContact CG1-CG 4.42Å; I194-E205 VanDerWaalsContact CA-O 3.29Å; I194-E205 WeakPolarHBondContact CA-O 3.41Å; I194-L206 HydrophobicContact CG2-CD2 4.01Å; I194-V215 HydrophobicContact CG2-CB 4.42Å; I194-V215 HydrophobicContact CG2-CG1 3.88Å; I194-E217 HydrophobicContact CD1-CG 4.16Å
195K96.8Very high94.7Very high103 Ų10353.9 Ų53.945%0.44826%0.26SS..EExtended strand (participates in β ladder)trans-125.8156.5170.963.9175-176.9163.70109.3K197 Y204 E205 V207K195-K197 PolarHBondContact O-N 2.97Å; K195-Y204 CarbonylContact O-C 3.52Å; K195-Y204 WeakPolarHBondContact O-CA 3.4Å; K195-Y204 WeakPolarHBondContact O-CB 3.37Å; K195-E205 WeakPolarHBondContact CE-OE1 3.43Å; K195-E205 HydrophobicContact CG-CG 3.99Å; K195-E205 PolarHBondContact N-O 3.1Å; K195-E205 VanDerWaalsContact N-O 3.08Å; K195-E205 IonicContact NZ-OE1 2.71Å; K195-E205 PolarHBondContact NZ-OE1 3.41Å; K195-E205 PolarHBondContact O-N 3.45Å; K195-V207 HydrophobicContact CB-CG2 4.11Å; K195-V207 HydrophobicContact CD-CG2 4.12Å; K195-V207 HydrophobicContact CG-CG2 3.88Å
196L97.4Very high94.9Very high93 Ų9350.6 Ų50.649%0.48725%0.245SC..EExtended strand (participates in β ladder)trans-54129.3171.1-77.4167.4000108.8S201 Y204L196-S201 WeakPolarHBondContact CD2-O 3.41Å; L196-Y204 HydrophobicContact CD2-CD1 4.32Å; L196-Y204 HydrophobicContact CD2-CE1 3.86Å; L196-Y204 HydrophobicContact CD2-CE2 4.43Å; L196-Y204 HydrophobicContact CG-CD1 4.45Å; L196-Y204 HydrophobicContact CG-CE1 4.03Å
197K95.7Very high94.9Very high21 Ų2151.3 Ų51.39%0.09125%0.252CS..SBendtrans-74-35.8-178.6-166.6174.7-179.674.40111.1K195 Y203 E205 N213 F214K195-K197 PolarHBondContact O-N 2.97Å; K197-Y203 WeakPolarHBondContact CB-O 3.22Å; K197-Y203 PolarHBondContact N-O 3.14Å; K197-E205 HydrophobicContact CB-CB 4.29Å; K197-E205 HydrophobicContact CB-CG 4.32Å; K197-E205 HydrophobicContact CD-CB 4.25Å; K197-E205 HydrophobicContact CG-CB 4.08Å; K197-E205 HydrophobicContact CG-CG 4.16Å; K197-E205 IonicContact NZ-OE2 2.7Å; K197-E205 PolarHBondContact NZ-OE2 3.41Å; K197-N213 WeakPolarHBondContact CD-O 3.26Å; K197-N213 VanDerWaalsContact CE-O 3.27Å; K197-N213 WeakPolarHBondContact CE-O 3.43Å; K197-N213 PolarHBondContact NZ-O 3.09Å; K197-F214 HydrophobicContact CD-CD1 4.08Å; K197-F214 HydrophobicContact CD-CE1 4.13Å
198Y91.2Very high94.8Very high49 Ų4957.6 Ų57.619%0.19229%0.286CS..SBendtrans-142.5155.5176.4-41.9-86.6000110.3S201 F214 E328 F332Y198-S201 WeakPolarHBondContact O-CB 3.32Å; Y198-S201 PolarHBondContact O-N 2.78Å; Y198-F214 HydrophobicContact CE2-CE1 4.33Å; Y198-E328 HydrophobicContact CE1-CG 4.45Å; Y198-E328 WeakPolarHBondContact OH-CG 3.26Å; Y198-E328 PolarHBondContact OH-OE1 3.3Å; Y198-F332 HydrophobicContact CD1-CE2 4.48Å; Y198-F332 HydrophobicContact CD1-CZ 4.22Å; Y198-F332 HydrophobicContact CD2-CE1 4.19Å; Y198-F332 HydrophobicContact CD2-CE2 4.14Å; Y198-F332 AromaticContact CD2-CZ 3.33Å; Y198-F332 HydrophobicContact CD2-CZ 3.33Å; Y198-F332 HydrophobicContact CE2-CE2 4.11Å; Y198-F332 AromaticContact CE2-CZ 3.68Å; Y198-F332 HydrophobicContact CE2-CZ 3.68Å; Y198-F332 HydrophobicContact CG-CE2 4.3Å; Y198-F332 AromaticContact CG-CZ 3.61Å; Y198-F332 HydrophobicContact CG-CZ 3.61Å
199E88Confident94.8Very high176 Ų17658 Ų5882%0.82229%0.288SS*.THydrogen-bonded Turntrans-59138.5169.5-64.9-179.4-178.800110.1S201E199-S201 PolarHBondContact O-N 2.92Å; E199-S201 VanDerWaalsContact O-N 3.1Å
200N78.8Confident94.8Very high167 Ų16758 Ų5889%0.89329%0.288SS*.THydrogen-bonded Turntrans57.421.5-179.9-51.3-46.2000115.3
201S84.3Confident94.8Very high12 Ų1258 Ų588%0.08429%0.288CS..  trans-100155.1175.4-175.80000112.2L196 Y198 E199 Y203L196-S201 WeakPolarHBondContact CD2-O 3.41Å; Y198-S201 WeakPolarHBondContact O-CB 3.32Å; Y198-S201 PolarHBondContact O-N 2.78Å; E199-S201 PolarHBondContact O-N 2.92Å; E199-S201 VanDerWaalsContact O-N 3.1Å; S201-Y203 VanDerWaalsContact C-N 3.34Å; S201-Y203 WeakPolarHBondContact OG-CD2 3.28Å; S201-Y203 PolarHBondContact OG-N 3.45Å; S201-Y203 VanDerWaalsContact OG-N 3.15Å
202F89.2Confident94.8Very high83 Ų8358.2 Ų58.236%0.36429%0.287SS..SBendtrans-82-15.7169.5-58.9-70.9000112.7L216 Y230 L335F202-L216 WeakPolarHBondContact O-CD2 3.33Å; F202-Y230 HydrophobicContact CB-CD2 4.12Å; F202-Y230 HydrophobicContact CB-CE2 4.08Å; F202-Y230 HydrophobicContact CD1-CE2 4.07Å; F202-Y230 AromaticContact CD2-CE2 3.91Å; F202-Y230 HydrophobicContact CD2-CE2 3.91Å; F202-Y230 AromaticContact CD2-CZ 3.92Å; F202-Y230 HydrophobicContact CE2-CE2 4.39Å; F202-Y230 HydrophobicContact CG-CD2 4.27Å; F202-Y230 AromaticContact CG-CE2 3.73Å; F202-Y230 HydrophobicContact CG-CE2 3.73Å; F202-L335 HydrophobicContact CD2-CD2 4.43Å
203Y97.2Very high94.9Very high0 Ų057.7 Ų57.70%028%0.284CS..  trans-89.5140.1-174-57.8-69.5000112.4K197 S201 F214 L216 Y230 V234 V331 L335K197-Y203 WeakPolarHBondContact CB-O 3.22Å; K197-Y203 PolarHBondContact N-O 3.14Å; S201-Y203 VanDerWaalsContact C-N 3.34Å; S201-Y203 WeakPolarHBondContact OG-CD2 3.28Å; S201-Y203 PolarHBondContact OG-N 3.45Å; S201-Y203 VanDerWaalsContact OG-N 3.15Å; Y203-F214 HydrophobicContact CD1-CD1 4.24Å; Y203-F214 HydrophobicContact CD2-CD1 4.25Å; Y203-F214 AromaticContact CG-CD1 3.94Å; Y203-F214 HydrophobicContact CG-CD1 3.94Å; Y203-L216 HydrophobicContact CD1-CD1 4Å; Y203-L216 HydrophobicContact CD1-CD2 4.1Å; Y203-L216 HydrophobicContact CD1-CG 4.04Å; Y203-L216 HydrophobicContact CE1-CD1 3.87Å; Y203-L216 HydrophobicContact CE1-CG 4.42Å; Y203-Y230 PolarHBondContact OH-O 2.78Å; Y203-V234 HydrophobicContact CD1-CG2 4.1Å; Y203-V234 HydrophobicContact CE1-CG2 3.44Å; Y203-V234 VanDerWaalsContact CE1-CG2 3.44Å; Y203-V234 HydrophobicContact CE2-CG2 4.3Å; Y203-V331 HydrophobicContact CD2-CG1 4.13Å; Y203-V331 HydrophobicContact CE2-CG1 3.3Å; Y203-L335 HydrophobicContact CD2-CD1 4.36Å; Y203-L335 HydrophobicContact CE2-CD1 3.45Å; Y203-L335 VanDerWaalsContact CE2-CD1 3.45Å; Y203-L335 HydrophobicContact CE2-CG 4.38Å
204Y98.2Very high94.9Very high88 Ų8852.6 Ų52.635%0.34526%0.256SS..EExtended strand (participates in β ladder)trans-105171.4171.2-62.6-100.6000110.6I194 K195 L196 V215I194-Y204 HydrophobicContact CB-CD1 4.36Å; I194-Y204 HydrophobicContact CD1-CD1 3.93Å; I194-Y204 HydrophobicContact CD1-CD2 4.47Å; I194-Y204 HydrophobicContact CD1-CG 3.93Å; I194-Y204 HydrophobicContact CG1-CD1 4.08Å; I194-Y204 HydrophobicContact CG1-CG 4.42Å; K195-Y204 CarbonylContact O-C 3.52Å; K195-Y204 WeakPolarHBondContact O-CA 3.4Å; K195-Y204 WeakPolarHBondContact O-CB 3.37Å; L196-Y204 HydrophobicContact CD2-CD1 4.32Å; L196-Y204 HydrophobicContact CD2-CE1 3.86Å; L196-Y204 HydrophobicContact CD2-CE2 4.43Å; L196-Y204 HydrophobicContact CG-CD1 4.45Å; L196-Y204 HydrophobicContact CG-CE1 4.03Å; Y204-V215 WeakPolarHBondContact CB-O 3.48Å; Y204-V215 PolarHBondContact N-O 2.7Å; Y204-V215 PolarHBondContact O-N 3.46Å
205E98.2Very high95Very high38 Ų3850.4 Ų50.418%0.17825%0.245CC..EExtended strand (participates in β ladder)trans-135149.8166.463.8178-173.100111.5I194 K195 K197 V207 N213I194-E205 VanDerWaalsContact CA-O 3.29Å; I194-E205 WeakPolarHBondContact CA-O 3.41Å; K195-E205 WeakPolarHBondContact CE-OE1 3.43Å; K195-E205 HydrophobicContact CG-CG 3.99Å; K195-E205 PolarHBondContact N-O 3.1Å; K195-E205 VanDerWaalsContact N-O 3.08Å; K195-E205 IonicContact NZ-OE1 2.71Å; K195-E205 PolarHBondContact NZ-OE1 3.41Å; K195-E205 PolarHBondContact O-N 3.45Å; K197-E205 HydrophobicContact CB-CB 4.29Å; K197-E205 HydrophobicContact CB-CG 4.32Å; K197-E205 HydrophobicContact CD-CB 4.25Å; K197-E205 HydrophobicContact CG-CB 4.08Å; K197-E205 HydrophobicContact CG-CG 4.16Å; K197-E205 IonicContact NZ-OE2 2.7Å; K197-E205 PolarHBondContact NZ-OE2 3.41Å; E205-V207 PolarHBondContact O-N 3.32Å; E205-N213 VanDerWaalsContact CA-OD1 3.31Å; E205-N213 WeakPolarHBondContact CA-OD1 3.08Å
206L98.3Very high95.1Very high2 Ų246.1 Ų46.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-63.7120.3168.8-63.7177.7000109.2A189 T192 I194 N208 H209 N213 V215 V261 W263A189-L206 HydrophobicContact CB-CD1 4.01Å; T192-L206 HydrophobicContact CG2-CB 3.98Å; T192-L206 HydrophobicContact CG2-CD2 4.32Å; I194-L206 HydrophobicContact CG2-CD2 4.01Å; L206-N208 PolarHBondContact O-N 3.43Å; L206-H209 HydrophobicContact CB-CB 3.84Å; L206-H209 PolarHBondContact O-N 2.6Å; L206-N213 PolarHBondContact N-OD1 3.3Å; L206-V215 HydrophobicContact CD2-CG2 4.17Å; L206-V215 HydrophobicContact CG-CG2 3.86Å; L206-V261 HydrophobicContact CD1-CG1 4.07Å; L206-V261 HydrophobicContact CD1-CG2 4.28Å; L206-V261 HydrophobicContact CD2-CG2 4.49Å; L206-V261 HydrophobicContact CG-CG1 4.48Å; L206-W263 HydrophobicContact CD1-CZ2 4.04Å
207V97.2Very high95.1Very high43 Ų4343.1 Ų43.126%0.26121%0.21SC..THydrogen-bonded Turntrans-58.9128.3180174.20000110.5T192 D193 K195 E205 H209T192-V207 HydrophobicContact CG2-CB 4.35Å; T192-V207 VanDerWaalsContact CG2-O 3.29Å; T192-V207 WeakPolarHBondContact CG2-O 3.4Å; D193-V207 HydrophobicContact CB-CG2 4.39Å; D193-V207 WeakPolarHBondContact O-CG2 3.22Å; D193-V207 PolarHBondContact O-N 3.26Å; K195-V207 HydrophobicContact CB-CG2 4.11Å; K195-V207 HydrophobicContact CD-CG2 4.12Å; K195-V207 HydrophobicContact CG-CG2 3.88Å; E205-V207 PolarHBondContact O-N 3.32Å; V207-H209 PolarHBondContact O-N 2.89Å
208N95.9Very high95.2Very high134 Ų13442.2 Ų42.272%0.71721%0.207SC*.THydrogen-bonded Turntrans57.327.9176.9-56.8-29.6000114.8R188 L206R188-N208 PolarHBondContact NH2-O 3.43Å; L206-N208 PolarHBondContact O-N 3.43Å
209H98.1Very high95.4Very high11 Ų1144.2 Ų44.25%0.05122%0.224CC..  trans-71.6136.9171.1-164.7-90.4000111.1R188 L206 V207 V211 W263 L290R188-H209 PolarHBondContact NE-CD2 3.27Å; L206-H209 HydrophobicContact CB-CB 3.84Å; L206-H209 PolarHBondContact O-N 2.6Å; V207-H209 PolarHBondContact O-N 2.89Å; H209-V211 PolarHBondContact ND1-N 3.4Å; H209-V211 VanDerWaalsContact ND1-N 3.14Å; H209-V211 PolarHBondContact ND1-O 2.78Å; H209-V211 PolarHBondContact O-N 3.21Å; H209-V211 VanDerWaalsContact O-N 3.15Å; H209-W263 AromaticContact CE1-CD1 3.83Å; H209-W263 AromaticContact CE1-CE2 4Å; H209-W263 AromaticContact CE1-NE1 3.18Å; H209-W263 PolarHBondContact CE1-NE1 3Å; H209-W263 AromaticContact ND1-CD1 3.92Å; H209-W263 AromaticContact ND1-NE1 3.38Å; H209-W263 PolarHBondContact ND1-NE1 2.86Å; H209-W263 AromaticContact NE2-NE1 3.75Å; H209-L290 PolarHBondContact NE2-O 2.91Å
210P97.3Very high95.8Very high1 Ų139.4 Ų39.41%0.00620%0.204CC..SBendtrans-72.1-2.7-178.228.7-38.4000113.7L314 R315 R318P210-L314 HydrophobicContact CB-CB 3.86Å; P210-L314 HydrophobicContact CG-CB 3.39Å; P210-L314 HydrophobicContact CG-CD1 3.62Å; P210-L314 HydrophobicContact CG-CG 4.15Å; P210-R315 HydrophobicContact CB-CG 3.56Å; P210-R318 WeakPolarHBondContact O-CD 3.21Å; P210-R318 VanDerWaalsContact O-CG 3.28Å; P210-R318 WeakPolarHBondContact O-CG 3.34Å; P210-R318 PolarHBondContact O-NE 2.84Å; P210-R318 PolarHBondContact O-NH2 3.46Å
211V98.3Very high96.7Very high0 Ų034.2 Ų34.20%018%0.176CC..SBendtrans-131.7135.7177.4-173.80000108.8H209 N213 W263 L290 L314 E317H209-V211 PolarHBondContact ND1-N 3.4Å; H209-V211 VanDerWaalsContact ND1-N 3.14Å; H209-V211 PolarHBondContact ND1-O 2.78Å; H209-V211 PolarHBondContact O-N 3.21Å; H209-V211 VanDerWaalsContact O-N 3.15Å; V211-N213 PolarHBondContact O-ND2 3.33Å; V211-W263 HydrophobicContact CG1-CB 4.43Å; V211-L290 HydrophobicContact CB-CD2 4.14Å; V211-L290 HydrophobicContact CG1-CD2 4.36Å; V211-L290 HydrophobicContact CG2-CD2 3.72Å; V211-L314 HydrophobicContact CG2-CB 4.42Å; V211-L314 WeakPolarHBondContact CG2-O 3.46Å; V211-E317 HydrophobicContact CG2-CB 4.17Å
212D98.4Very high97.3Very high32 Ų3239.5 Ų39.517%0.17121%0.208CC..  trans-51.8138.1173.9-72.2-84.4000110.8R321 I324D212-R321 IonicContact OD1-NH1 3.75Å; D212-I324 HydrophobicContact CB-CD1 3.71Å; D212-I324 HydrophobicContact CB-CG1 4.34Å
213N98.7Very high97.6Very high3 Ų336.7 Ų36.72%0.01620%0.202CC..  trans-152157.1-175.461.992.2000112.2K197 E205 L206 V211 V215 V261 V262 W263K197-N213 WeakPolarHBondContact CD-O 3.26Å; K197-N213 VanDerWaalsContact CE-O 3.27Å; K197-N213 WeakPolarHBondContact CE-O 3.43Å; K197-N213 PolarHBondContact NZ-O 3.09Å; E205-N213 VanDerWaalsContact CA-OD1 3.31Å; E205-N213 WeakPolarHBondContact CA-OD1 3.08Å; L206-N213 PolarHBondContact N-OD1 3.3Å; V211-N213 PolarHBondContact O-ND2 3.33Å; N213-V215 VanDerWaalsContact OD1-CG2 3.32Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.15Å; N213-V261 HydrophobicContact CB-CG1 3.86Å; N213-V262 CarbonylContact C-O 3.44Å; N213-V262 WeakPolarHBondContact CA-O 3.08Å; N213-W263 HydrophobicContact CB-CG 4.26Å
214F98.6Very high97.7Very high3 Ų337.1 Ų37.11%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-119.4130.7170.3-63.7-101000108.2K197 Y198 Y203 V234 V261 V262 P264 L327 E328K197-F214 HydrophobicContact CD-CD1 4.08Å; K197-F214 HydrophobicContact CD-CE1 4.13Å; Y198-F214 HydrophobicContact CE2-CE1 4.33Å; Y203-F214 HydrophobicContact CD1-CD1 4.24Å; Y203-F214 HydrophobicContact CD2-CD1 4.25Å; Y203-F214 AromaticContact CG-CD1 3.94Å; Y203-F214 HydrophobicContact CG-CD1 3.94Å; F214-V234 HydrophobicContact CB-CG1 4.07Å; F214-V234 HydrophobicContact CB-CG2 4.21Å; F214-V234 HydrophobicContact CD1-CG1 4.29Å; F214-V234 HydrophobicContact CD1-CG2 3.93Å; F214-V234 HydrophobicContact CD2-CG1 3.62Å; F214-V234 HydrophobicContact CE2-CG1 4.11Å; F214-V234 HydrophobicContact CG-CG1 3.73Å; F214-V234 HydrophobicContact CG-CG2 4.04Å; F214-V261 CarbonylContact O-C 3.47Å; F214-V261 WeakPolarHBondContact O-CA 3.38Å; F214-V262 PolarHBondContact N-O 2.74Å; F214-V262 PolarHBondContact O-N 3.33Å; F214-P264 HydrophobicContact CD2-CG 4.12Å; F214-P264 HydrophobicContact CE2-CG 3.9Å; F214-L327 HydrophobicContact CE2-CD2 4Å; F214-L327 HydrophobicContact CZ-CD2 4.45Å; F214-E328 HydrophobicContact CZ-CG 4.33Å
215V98.7Very high97.6Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-125.9137.2-176.4-174.70000110.3I194 Y204 L206 N213 R259 V260 V261I194-V215 HydrophobicContact CG2-CB 4.42Å; I194-V215 HydrophobicContact CG2-CG1 3.88Å; Y204-V215 WeakPolarHBondContact CB-O 3.48Å; Y204-V215 PolarHBondContact N-O 2.7Å; Y204-V215 PolarHBondContact O-N 3.46Å; L206-V215 HydrophobicContact CD2-CG2 4.17Å; L206-V215 HydrophobicContact CG-CG2 3.86Å; N213-V215 VanDerWaalsContact OD1-CG2 3.32Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.15Å; V215-R259 HydrophobicContact CG1-CG 3.67Å; V215-V260 WeakPolarHBondContact CA-O 3.36Å; V215-V261 HydrophobicContact CG1-CG2 4.41Å; V215-V261 HydrophobicContact CG2-CB 4.44Å; V215-V261 HydrophobicContact CG2-CG1 4Å; V215-V261 HydrophobicContact CG2-CG2 4.07Å
216L98.4Very high97.5Very high13 Ų1343.4 Ų43.47%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-134.5146.4167-68.3174.2000109.7F202 Y203 F227 L231 R259 V260F202-L216 WeakPolarHBondContact O-CD2 3.33Å; Y203-L216 HydrophobicContact CD1-CD1 4Å; Y203-L216 HydrophobicContact CD1-CD2 4.1Å; Y203-L216 HydrophobicContact CD1-CG 4.04Å; Y203-L216 HydrophobicContact CE1-CD1 3.87Å; Y203-L216 HydrophobicContact CE1-CG 4.42Å; L216-F227 HydrophobicContact CB-CD2 4Å; L216-F227 HydrophobicContact CB-CE2 3.61Å; L216-L231 HydrophobicContact CB-CD2 4.1Å; L216-L231 HydrophobicContact CB-CG 4.37Å; L216-L231 HydrophobicContact CD1-CD2 3.89Å; L216-L231 HydrophobicContact CD1-CG 3.76Å; L216-L231 HydrophobicContact CG-CD2 4.23Å; L216-R259 WeakPolarHBondContact O-CA 3.4Å; L216-V260 PolarHBondContact N-O 2.69Å; L216-V260 VanDerWaalsContact N-O 3.09Å; L216-V260 PolarHBondContact O-N 3.32Å
217E97.9Very high97.5Very high29 Ų2944 Ų4414%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-114.2134.9168.3-65.5-165.5175.100110.3I194 T219 F227 S252 T255 V258 R259I194-E217 HydrophobicContact CD1-CG 4.16Å; E217-T219 PolarHBondContact O-N 2.9Å; E217-F227 VanDerWaalsContact C-CE2 3.44Å; E217-S252 VanDerWaalsContact OE1-CB 3.27Å; E217-S252 WeakPolarHBondContact OE1-CB 3.27Å; E217-S252 PolarHBondContact OE1-OG 3.26Å; E217-T255 PolarHBondContact OE2-OG1 2.77Å; E217-V258 CarbonylContact C-O 3.57Å; E217-V258 VanDerWaalsContact CA-O 3.28Å; E217-V258 WeakPolarHBondContact CA-O 3.32Å; E217-R259 HydrophobicContact CG-CB 3.99Å; E217-R259 HydrophobicContact CG-CG 4.09Å; E217-R259 IonicContact OE1-CZ 3.37Å; E217-R259 IonicContact OE1-NE 2.63Å; E217-R259 PolarHBondContact OE1-NE 2.77Å; E217-R259 IonicContact OE1-NH2 3.42Å; E217-R259 PolarHBondContact OE1-NH2 2.93Å
218L98.2Very high97.5Very high3 Ų341.9 Ų41.92%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-82.3104.6171.6-17870.3000108.6L12 L153 D220 L221 L224 F227 F257 V258L12-L218 HydrophobicContact CD1-CD2 4.15Å; L12-L218 HydrophobicContact CD1-CG 3.96Å; L12-L218 VanDerWaalsContact CD1-O 3.29Å; L12-L218 WeakPolarHBondContact CD1-O 3.15Å; L153-L218 HydrophobicContact CD1-CD2 4.04Å; L153-L218 HydrophobicContact CD2-CD2 3.95Å; L218-D220 WeakPolarHBondContact CD1-O 3.47Å; L218-L221 HydrophobicContact CD2-CD2 4.16Å; L218-L224 HydrophobicContact CD1-CB 4.39Å; L218-L224 HydrophobicContact CD1-CD1 4.27Å; L218-L224 HydrophobicContact CD2-CD1 3.81Å; L218-F227 HydrophobicContact CB-CD1 4.15Å; L218-F227 HydrophobicContact CB-CD2 3.97Å; L218-F227 HydrophobicContact CB-CE1 4.1Å; L218-F227 HydrophobicContact CB-CE2 3.93Å; L218-F227 HydrophobicContact CB-CG 4.07Å; L218-F227 HydrophobicContact CB-CZ 3.97Å; L218-F227 HydrophobicContact CD1-CB 3.64Å; L218-F227 HydrophobicContact CD1-CD1 4.1Å; L218-F227 HydrophobicContact CD1-CD2 4.29Å; L218-F227 HydrophobicContact CD1-CG 3.77Å; L218-F227 HydrophobicContact CG-CG 4.49Å; L218-F227 VanDerWaalsContact N-CE2 3.29Å; L218-F257 WeakPolarHBondContact O-CB 3.32Å; L218-V258 HydrophobicContact CB-CB 4.34Å; L218-V258 PolarHBondContact N-O 3.06Å
219T96.5Very high97.6Very high90 Ų9037 Ų3755%0.55220%0.198SC*.  trans-96.5-14.4-177.354.50000113.7L12 E217 F257L12-T219 WeakPolarHBondContact CD2-O 3.45Å; E217-T219 PolarHBondContact O-N 2.9Å; T219-F257 HydrophobicContact CG2-CD2 3.98Å; T219-F257 HydrophobicContact CG2-CE2 4.09Å
220D96.1Very high97.6Very high75 Ų7537.5 Ų37.540%0.40120%0.199SC..  trans-149.6133.9177.3-177.2-0.9000109.9L218 T222 G223L218-D220 WeakPolarHBondContact CD1-O 3.47Å; D220-T222 VanDerWaalsContact C-N 3.26Å; D220-T222 PolarHBondContact O-N 3.25Å; D220-T222 PolarHBondContact OD1-N 2.91Å; D220-T222 PolarHBondContact OD1-OG1 3.28Å; D220-T222 PolarHBondContact OD2-OG1 3.37Å; D220-G223 PolarHBondContact O-N 3.02Å; D220-G223 VanDerWaalsContact O-N 3.1Å
221L97.1Very high97.6Very high58 Ų5837.5 Ų37.530%0.30420%0.199SC..G310 helixtrans-64.4-28.9176.2-69.1174.7000112.6L10 L12 L153 L218 G223 L224L10-L221 HydrophobicContact CB-CD1 4.38Å; L10-L221 HydrophobicContact CB-CD2 4.25Å; L12-L221 HydrophobicContact CB-CD1 4.31Å; L12-L221 HydrophobicContact CB-CD2 4.31Å; L12-L221 HydrophobicContact CB-CG 4.03Å; L12-L221 HydrophobicContact CD1-CD2 4.25Å; L12-L221 HydrophobicContact CD1-CG 4.24Å; L153-L221 HydrophobicContact CD1-CD2 4.38Å; L153-L221 HydrophobicContact CD2-CD2 4.28Å; L218-L221 HydrophobicContact CD2-CD2 4.16Å; L221-G223 PolarHBondContact O-N 2.79Å; L221-L224 VanDerWaalsContact O-CB 3.25Å; L221-L224 WeakPolarHBondContact O-CB 3.31Å; L221-L224 PolarHBondContact O-N 2.76Å; L221-L224 VanDerWaalsContact O-N 3.12Å
222T96.7Very high97.6Very high124 Ų12439.7 Ų39.776%0.76121%0.208SC*.G310 helixtrans-64.3-23.6174.576.50000112D220D220-T222 VanDerWaalsContact C-N 3.26Å; D220-T222 PolarHBondContact O-N 3.25Å; D220-T222 PolarHBondContact OD1-N 2.91Å; D220-T222 PolarHBondContact OD1-OG1 3.28Å; D220-T222 PolarHBondContact OD2-OG1 3.37Å
223G96.4Very high97.6Very high24 Ų2438.2 Ų38.225%0.24720%0.2CC..G310 helixtrans-88.46.2176.400000114.9D220 L221 D225 R226 F227D220-G223 PolarHBondContact O-N 3.02Å; D220-G223 VanDerWaalsContact O-N 3.1Å; L221-G223 PolarHBondContact O-N 2.79Å; G223-D225 PolarHBondContact O-N 2.55Å; G223-R226 PolarHBondContact O-N 2.83Å; G223-F227 WeakPolarHBondContact O-CB 3.18Å; G223-F227 PolarHBondContact O-N 2.84Å
224L97.8Very high97.6Very high9 Ų938.1 Ų38.15%0.04720%0.199CC..Hα-helixtrans-57.7-43.8-173.4-179.459.6000113.2L10 Y146 I149 K150 L153 L218 L221 R226 F227 V228L10-L224 HydrophobicContact CD1-CD2 4.3Å; Y146-L224 HydrophobicContact CE2-CD2 3.74Å; Y146-L224 HydrophobicContact CE2-CG 3.86Å; Y146-L224 WeakPolarHBondContact OH-CG 2.97Å; I149-L224 HydrophobicContact CG2-CD1 3.91Å; K150-L224 HydrophobicContact CG-CD2 4.24Å; L153-L224 HydrophobicContact CD1-CD1 3.87Å; L153-L224 HydrophobicContact CD1-CD2 4.1Å; L218-L224 HydrophobicContact CD1-CB 4.39Å; L218-L224 HydrophobicContact CD1-CD1 4.27Å; L218-L224 HydrophobicContact CD2-CD1 3.81Å; L221-L224 VanDerWaalsContact O-CB 3.25Å; L221-L224 WeakPolarHBondContact O-CB 3.31Å; L221-L224 PolarHBondContact O-N 2.76Å; L221-L224 VanDerWaalsContact O-N 3.12Å; L224-R226 PolarHBondContact O-N 2.84Å; L224-F227 HydrophobicContact CD1-CD1 4.36Å; L224-F227 WeakPolarHBondContact O-CB 3.43Å; L224-F227 PolarHBondContact O-N 2.83Å; L224-V228 HydrophobicContact CD1-CG2 4.06Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 2.84Å
225D97.2Very high97.6Very high108 Ų10838 Ų3858%0.57820%0.198SC*.Hα-helixtrans-60.2-45.7177.8-71.6-35.3000111.7Y146 G223 V228 N229Y146-D225 WeakPolarHBondContact CE1-OD1 3.42Å; Y146-D225 VanDerWaalsContact CZ-OD1 3.23Å; Y146-D225 PolarHBondContact OH-OD1 2.82Å; G223-D225 PolarHBondContact O-N 2.55Å; D225-V228 PolarHBondContact O-N 2.8Å; D225-N229 WeakPolarHBondContact O-CB 3.39Å; D225-N229 PolarHBondContact O-N 3.2Å
226R96.2Very high97.6Very high150 Ų15038.8 Ų38.857%0.56620%0.204SC*.Hα-helixtrans-64.4-43.6178.2-173.9-177-62.6162.91.3111G223 L224 N229 Y230G223-R226 PolarHBondContact O-N 2.83Å; L224-R226 PolarHBondContact O-N 2.84Å; R226-N229 PolarHBondContact O-N 3.08Å; R226-Y230 HydrophobicContact CG-CD2 3.99Å; R226-Y230 HydrophobicContact CG-CE1 4.32Å; R226-Y230 HydrophobicContact CG-CE2 3.51Å; R226-Y230 PolarHBondContact O-N 2.86Å
227F97.9Very high97.6Very high13 Ų1338.2 Ų38.26%0.05720%0.201CC..Hα-helixtrans-58.3-51.2177.1174.1-100.6000111.9I149 L216 E217 L218 G223 L224 N229 Y230 L231 V260I149-F227 HydrophobicContact CG2-CE1 4.34Å; L216-F227 HydrophobicContact CB-CD2 4Å; L216-F227 HydrophobicContact CB-CE2 3.61Å; E217-F227 VanDerWaalsContact C-CE2 3.44Å; L218-F227 HydrophobicContact CB-CD1 4.15Å; L218-F227 HydrophobicContact CB-CD2 3.97Å; L218-F227 HydrophobicContact CB-CE1 4.1Å; L218-F227 HydrophobicContact CB-CE2 3.93Å; L218-F227 HydrophobicContact CB-CG 4.07Å; L218-F227 HydrophobicContact CB-CZ 3.97Å; L218-F227 HydrophobicContact CD1-CB 3.64Å; L218-F227 HydrophobicContact CD1-CD1 4.1Å; L218-F227 HydrophobicContact CD1-CD2 4.29Å; L218-F227 HydrophobicContact CD1-CG 3.77Å; L218-F227 HydrophobicContact CG-CG 4.49Å; L218-F227 VanDerWaalsContact N-CE2 3.29Å; G223-F227 WeakPolarHBondContact O-CB 3.18Å; G223-F227 PolarHBondContact O-N 2.84Å; L224-F227 HydrophobicContact CD1-CD1 4.36Å; L224-F227 WeakPolarHBondContact O-CB 3.43Å; L224-F227 PolarHBondContact O-N 2.83Å; F227-N229 VanDerWaalsContact C-N 3.31Å; F227-N229 PolarHBondContact O-N 3.29Å; F227-Y230 PolarHBondContact O-N 2.93Å; F227-L231 HydrophobicContact CD1-CD1 3.88Å; F227-L231 HydrophobicContact CD2-CD1 4.33Å; F227-L231 HydrophobicContact CE1-CD1 3.45Å; F227-L231 VanDerWaalsContact CE1-CD1 3.45Å; F227-L231 HydrophobicContact CE2-CD1 3.93Å; F227-L231 HydrophobicContact CG-CD1 4.31Å; F227-L231 HydrophobicContact CZ-CD1 3.5Å; F227-L231 VanDerWaalsContact CZ-CD1 3.5Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 2.73Å; F227-L231 VanDerWaalsContact O-N 3.17Å; F227-V260 HydrophobicContact CE1-CG2 3.94Å; F227-V260 HydrophobicContact CZ-CB 4.15Å; F227-V260 HydrophobicContact CZ-CG2 3.58Å
228V98.2Very high97.6Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-63-40.4176.7173.30000110.7F145 Y146 I149 L224 D225 L231 W232F145-V228 HydrophobicContact CD1-CG1 3.94Å; F145-V228 HydrophobicContact CE1-CG1 4.22Å; Y146-V228 HydrophobicContact CD1-CB 4.01Å; Y146-V228 HydrophobicContact CD1-CG1 3.63Å; Y146-V228 HydrophobicContact CD1-CG2 4.09Å; Y146-V228 HydrophobicContact CD2-CG2 4.17Å; Y146-V228 HydrophobicContact CE1-CB 4.18Å; Y146-V228 HydrophobicContact CE1-CG1 4.29Å; Y146-V228 HydrophobicContact CE1-CG2 4.2Å; Y146-V228 HydrophobicContact CE2-CG2 4.23Å; Y146-V228 HydrophobicContact CG-CB 4.41Å; Y146-V228 HydrophobicContact CG-CG1 3.92Å; Y146-V228 HydrophobicContact CG-CG2 4.07Å; I149-V228 HydrophobicContact CB-CG2 4.44Å; I149-V228 HydrophobicContact CG1-CG2 4.45Å; I149-V228 HydrophobicContact CG2-CG2 4.31Å; L224-V228 HydrophobicContact CD1-CG2 4.06Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 2.84Å; D225-V228 PolarHBondContact O-N 2.8Å; V228-L231 PolarHBondContact O-N 2.93Å; V228-W232 VanDerWaalsContact O-CB 3.25Å; V228-W232 WeakPolarHBondContact O-CB 3.43Å; V228-W232 PolarHBondContact O-N 3.02Å
229N97.4Very high97.6Very high30 Ų3037 Ų3716%0.1620%0.196CC..Hα-helixtrans-63.9-44.2-179.4-174.865.6000112.9K142 D225 R226 F227 W232 I233 Q338K142-N229 PolarHBondContact NZ-OD1 2.95Å; D225-N229 WeakPolarHBondContact O-CB 3.39Å; D225-N229 PolarHBondContact O-N 3.2Å; R226-N229 PolarHBondContact O-N 3.08Å; F227-N229 VanDerWaalsContact C-N 3.31Å; F227-N229 PolarHBondContact O-N 3.29Å; N229-W232 WeakPolarHBondContact O-CB 3.46Å; N229-W232 PolarHBondContact O-N 3.42Å; N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.77Å; N229-Q338 PolarHBondContact ND2-OE1 2.82Å
230Y97.3Very high97.7Very high23 Ų2337.5 Ų37.59%0.0920%0.195CC..Hα-helixtrans-67.7-40.1177-67.6-21.2000112.7F202 Y203 R226 F227 W232 I233 V234 L335F202-Y230 HydrophobicContact CB-CD2 4.12Å; F202-Y230 HydrophobicContact CB-CE2 4.08Å; F202-Y230 HydrophobicContact CD1-CE2 4.07Å; F202-Y230 AromaticContact CD2-CE2 3.91Å; F202-Y230 HydrophobicContact CD2-CE2 3.91Å; F202-Y230 AromaticContact CD2-CZ 3.92Å; F202-Y230 HydrophobicContact CE2-CE2 4.39Å; F202-Y230 HydrophobicContact CG-CD2 4.27Å; F202-Y230 AromaticContact CG-CE2 3.73Å; F202-Y230 HydrophobicContact CG-CE2 3.73Å; Y203-Y230 PolarHBondContact OH-O 2.78Å; R226-Y230 HydrophobicContact CG-CD2 3.99Å; R226-Y230 HydrophobicContact CG-CE1 4.32Å; R226-Y230 HydrophobicContact CG-CE2 3.51Å; R226-Y230 PolarHBondContact O-N 2.86Å; F227-Y230 PolarHBondContact O-N 2.93Å; Y230-W232 VanDerWaalsContact C-N 3.28Å; Y230-W232 PolarHBondContact O-N 2.88Å; Y230-I233 HydrophobicContact CD1-CD1 4.01Å; Y230-I233 PolarHBondContact O-N 3.1Å; Y230-V234 PolarHBondContact O-N 2.91Å; Y230-L335 HydrophobicContact CD1-CD2 3.53Å; Y230-L335 HydrophobicContact CE1-CD2 3.53Å; Y230-L335 HydrophobicContact CG-CD2 4.41Å
231L98.4Very high97.8Very high1 Ų137.2 Ų37.21%0.00519%0.193CC..Hα-helixtrans-61-40.7171.6-72.2166.3000111.8F145 L216 F227 V228 I233 V234 I235 V260 V262F145-L231 HydrophobicContact CE1-CB 3.65Å; F145-L231 HydrophobicContact CE1-CD1 4.15Å; F145-L231 HydrophobicContact CZ-CB 3.94Å; F145-L231 HydrophobicContact CZ-CD1 3.95Å; L216-L231 HydrophobicContact CB-CD2 4.1Å; L216-L231 HydrophobicContact CB-CG 4.37Å; L216-L231 HydrophobicContact CD1-CD2 3.89Å; L216-L231 HydrophobicContact CD1-CG 3.76Å; L216-L231 HydrophobicContact CG-CD2 4.23Å; F227-L231 HydrophobicContact CD1-CD1 3.88Å; F227-L231 HydrophobicContact CD2-CD1 4.33Å; F227-L231 HydrophobicContact CE1-CD1 3.45Å; F227-L231 VanDerWaalsContact CE1-CD1 3.45Å; F227-L231 HydrophobicContact CE2-CD1 3.93Å; F227-L231 HydrophobicContact CG-CD1 4.31Å; F227-L231 HydrophobicContact CZ-CD1 3.5Å; F227-L231 VanDerWaalsContact CZ-CD1 3.5Å; F227-L231 WeakPolarHBondContact O-CG 3.25Å; F227-L231 PolarHBondContact O-N 2.73Å; F227-L231 VanDerWaalsContact O-N 3.17Å; V228-L231 PolarHBondContact O-N 2.93Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 2.85Å; L231-V234 PolarHBondContact O-N 3.37Å; L231-I235 WeakPolarHBondContact O-CG1 3.39Å; L231-I235 PolarHBondContact O-N 2.79Å; L231-V260 HydrophobicContact CD1-CB 3.61Å; L231-V260 HydrophobicContact CD1-CG1 3.81Å; L231-V260 HydrophobicContact CD1-CG2 3.69Å; L231-V260 HydrophobicContact CD2-CB 3.77Å; L231-V260 HydrophobicContact CD2-CG1 3.58Å; L231-V260 HydrophobicContact CG-CB 4.35Å; L231-V260 HydrophobicContact CG-CG1 4.29Å; L231-V262 HydrophobicContact CD2-CG2 4.25Å
232W98.4Very high97.9Very high46 Ų4639 Ų3917%0.17420%0.2CC..Hα-helixtrans-61.9-39.3177.6179.5-107.7000112.3L140 K142 V228 N229 Y230 V234 I235 S236L140-W232 HydrophobicContact CG-CZ3 4.31Å; L140-W232 WeakPolarHBondContact O-CH2 3.37Å; L140-W232 WeakPolarHBondContact O-CZ3 3.38Å; K142-W232 HydrophobicContact CB-CD2 3.66Å; K142-W232 HydrophobicContact CB-CE3 4.05Å; K142-W232 HydrophobicContact CB-CG 4.06Å; K142-W232 HydrophobicContact CB-CH2 4.45Å; K142-W232 HydrophobicContact CB-CZ2 4.07Å; K142-W232 HydrophobicContact CB-CZ3 4.44Å; K142-W232 HydrophobicContact CD-CB 4.49Å; K142-W232 HydrophobicContact CD-CD2 4.4Å; K142-W232 HydrophobicContact CD-CG 3.9Å; K142-W232 HydrophobicContact CG-CB 4.2Å; K142-W232 HydrophobicContact CG-CD2 3.82Å; K142-W232 HydrophobicContact CG-CE3 4.41Å; K142-W232 HydrophobicContact CG-CG 3.67Å; V228-W232 VanDerWaalsContact O-CB 3.25Å; V228-W232 WeakPolarHBondContact O-CB 3.43Å; V228-W232 PolarHBondContact O-N 3.02Å; N229-W232 WeakPolarHBondContact O-CB 3.46Å; N229-W232 PolarHBondContact O-N 3.42Å; Y230-W232 VanDerWaalsContact C-N 3.28Å; Y230-W232 PolarHBondContact O-N 2.88Å; W232-V234 VanDerWaalsContact C-N 3.27Å; W232-V234 PolarHBondContact O-N 3.33Å; W232-I235 HydrophobicContact CE3-CB 4.22Å; W232-I235 HydrophobicContact CE3-CG2 4.01Å; W232-I235 HydrophobicContact CZ3-CB 4.46Å; W232-I235 HydrophobicContact CZ3-CG2 3.76Å; W232-I235 PolarHBondContact O-N 3.06Å; W232-S236 WeakPolarHBondContact O-CB 3.5Å; W232-S236 PolarHBondContact O-N 2.89Å; W232-S236 PolarHBondContact O-OG 2.99Å; W232-S236 VanDerWaalsContact O-OG 3.06Å
233I97.9Very high98Very high1 Ų133.5 Ų33.51%0.00517%0.166CC..Hα-helixtrans-56.6-42.8175.5-68.2166.8000111.3N229 Y230 L231 S236 S237 V331 T334 L335 Q338N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.77Å; Y230-I233 HydrophobicContact CD1-CD1 4.01Å; Y230-I233 PolarHBondContact O-N 3.1Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 2.85Å; I233-S236 PolarHBondContact O-OG 3.46Å; I233-S237 WeakPolarHBondContact O-CB 3.14Å; I233-S237 PolarHBondContact O-N 3.11Å; I233-S237 PolarHBondContact O-OG 3.2Å; I233-V331 HydrophobicContact CG2-CB 4.43Å; I233-V331 HydrophobicContact CG2-CG1 4.14Å; I233-V331 HydrophobicContact CG2-CG2 4.48Å; I233-T334 HydrophobicContact CB-CG2 4.45Å; I233-T334 HydrophobicContact CD1-CG2 4.47Å; I233-T334 HydrophobicContact CG1-CG2 3.98Å; I233-T334 HydrophobicContact CG2-CG2 3.84Å; I233-L335 HydrophobicContact CD1-CD2 3.44Å; I233-L335 VanDerWaalsContact CD1-CD2 3.44Å; I233-L335 HydrophobicContact CD1-CG 3.91Å; I233-Q338 VanDerWaalsContact CD1-OE1 3.27Å
234V98.4Very high98Very high0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-66.5-48177.9-179.20000110.6Y203 F214 Y230 L231 W232 S237 C238 V262 V331Y203-V234 HydrophobicContact CD1-CG2 4.1Å; Y203-V234 HydrophobicContact CE1-CG2 3.44Å; Y203-V234 VanDerWaalsContact CE1-CG2 3.44Å; Y203-V234 HydrophobicContact CE2-CG2 4.3Å; F214-V234 HydrophobicContact CB-CG1 4.07Å; F214-V234 HydrophobicContact CB-CG2 4.21Å; F214-V234 HydrophobicContact CD1-CG1 4.29Å; F214-V234 HydrophobicContact CD1-CG2 3.93Å; F214-V234 HydrophobicContact CD2-CG1 3.62Å; F214-V234 HydrophobicContact CE2-CG1 4.11Å; F214-V234 HydrophobicContact CG-CG1 3.73Å; F214-V234 HydrophobicContact CG-CG2 4.04Å; Y230-V234 PolarHBondContact O-N 2.91Å; L231-V234 PolarHBondContact O-N 3.37Å; W232-V234 VanDerWaalsContact C-N 3.27Å; W232-V234 PolarHBondContact O-N 3.33Å; V234-S237 PolarHBondContact O-N 2.83Å; V234-C238 PolarHBondContact O-N 2.87Å; V234-C238 PolarHBondContact O-SG 3.03Å; V234-C238 VanDerWaalsContact O-SG 3.41Å; V234-V262 HydrophobicContact CG1-CB 4.18Å; V234-V262 HydrophobicContact CG1-CG1 3.98Å; V234-V331 HydrophobicContact CG2-CG1 4.28Å; V234-V331 HydrophobicContact CG2-CG2 4.24Å
235I98.7Very high98.1Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-60.7-50.2-179.7-67.8163.6000111L140 F145 L231 W232 S237 C238 Q239 V247 V262L140-I235 HydrophobicContact CB-CG2 4.42Å; L140-I235 HydrophobicContact CD2-CD1 4.07Å; L140-I235 HydrophobicContact CD2-CG2 4.07Å; L140-I235 HydrophobicContact CG-CG2 4.49Å; F145-I235 HydrophobicContact CD1-CD1 4.17Å; F145-I235 HydrophobicContact CD2-CD1 4.24Å; F145-I235 HydrophobicContact CE1-CD1 3.98Å; F145-I235 HydrophobicContact CE2-CD1 4.04Å; F145-I235 HydrophobicContact CG-CD1 4.3Å; F145-I235 HydrophobicContact CZ-CD1 3.9Å; L231-I235 WeakPolarHBondContact O-CG1 3.39Å; L231-I235 PolarHBondContact O-N 2.79Å; W232-I235 HydrophobicContact CE3-CB 4.22Å; W232-I235 HydrophobicContact CE3-CG2 4.01Å; W232-I235 HydrophobicContact CZ3-CB 4.46Å; W232-I235 HydrophobicContact CZ3-CG2 3.76Å; W232-I235 PolarHBondContact O-N 3.06Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 3.02Å; I235-C238 WeakPolarHBondContact O-CB 3.37Å; I235-C238 PolarHBondContact O-N 3.5Å; I235-Q239 WeakPolarHBondContact O-CG 3.4Å; I235-Q239 PolarHBondContact O-N 2.96Å; I235-V247 HydrophobicContact CD1-CG2 4.06Å; I235-V247 HydrophobicContact CG1-CG2 4.13Å; I235-V262 HydrophobicContact CG1-CG1 4.43Å; I235-V262 HydrophobicContact CG1-CG2 4.23Å
236S98.3Very high98.2Very high18 Ų1826.9 Ų26.913%0.12612%0.124CC..Hα-helixtrans-65.6-34.8179.6690000111.5W232 I233 Q239 D240W232-S236 WeakPolarHBondContact O-CB 3.5Å; W232-S236 PolarHBondContact O-N 2.89Å; W232-S236 PolarHBondContact O-OG 2.99Å; W232-S236 VanDerWaalsContact O-OG 3.06Å; I233-S236 PolarHBondContact O-OG 3.46Å; S236-Q239 WeakPolarHBondContact O-CB 3.47Å; S236-Q239 PolarHBondContact O-N 2.84Å; S236-D240 WeakPolarHBondContact O-CB 3.29Å; S236-D240 VanDerWaalsContact O-CG 3.22Å; S236-D240 PolarHBondContact O-N 3.09Å
237S98.6Very high98.3Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-65.6-40.6174.2-61.40000112.1I233 V234 I235 Q239 L241I233-S237 WeakPolarHBondContact O-CB 3.14Å; I233-S237 PolarHBondContact O-N 3.11Å; I233-S237 PolarHBondContact O-OG 3.2Å; V234-S237 PolarHBondContact O-N 2.83Å; I235-S237 VanDerWaalsContact C-N 3.3Å; I235-S237 PolarHBondContact O-N 3.02Å; S237-Q239 VanDerWaalsContact C-N 3.31Å; S237-Q239 PolarHBondContact O-N 3.14Å; S237-L241 WeakPolarHBondContact O-CB 3.36Å; S237-L241 WeakPolarHBondContact O-CG 2.76Å; S237-L241 PolarHBondContact O-N 3.16Å; S237-L241 VanDerWaalsContact O-N 3.16Å
238C98.8Very high98.4Very high0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-59.2-44.8170.1-69.90000110.9V234 I235 L241 Q242 I243 H245V234-C238 PolarHBondContact O-N 2.87Å; V234-C238 PolarHBondContact O-SG 3.03Å; V234-C238 VanDerWaalsContact O-SG 3.41Å; I235-C238 WeakPolarHBondContact O-CB 3.37Å; I235-C238 PolarHBondContact O-N 3.5Å; C238-L241 CarbonylContact O-C 3.47Å; C238-L241 PolarHBondContact O-N 3.18Å; C238-Q242 PolarHBondContact O-N 2.91Å; C238-Q242 VanDerWaalsContact O-N 3.1Å; C238-I243 HydrophobicContact CB-CB 4.15Å; C238-I243 HydrophobicContact CB-CG2 4.43Å; C238-I243 PolarHBondContact O-N 3.03Å; C238-H245 HydrophobicContact CB-CB 4.32Å
239Q98.5Very high98.4Very high7 Ų719.2 Ų19.23%0.03310%0.095CC..Hα-helixtrans-63.8-47-178.4-73.6175.8-45.400113.1I80 F139 L140 I235 S236 S237 L241 Q242I80-Q239 HydrophobicContact CD1-CB 4.32Å; I80-Q239 HydrophobicContact CD1-CG 4.36Å; F139-Q239 HydrophobicContact CD2-CG 4.31Å; F139-Q239 HydrophobicContact CE2-CB 3.76Å; F139-Q239 HydrophobicContact CE2-CG 3.52Å; F139-Q239 HydrophobicContact CZ-CB 3.64Å; F139-Q239 VanDerWaalsContact CZ-CD 3.47Å; F139-Q239 HydrophobicContact CZ-CG 3.69Å; L140-Q239 PolarHBondContact O-NE2 2.82Å; L140-Q239 PolarHBondContact O-OE1 3.04Å; I235-Q239 WeakPolarHBondContact O-CG 3.4Å; I235-Q239 PolarHBondContact O-N 2.96Å; S236-Q239 WeakPolarHBondContact O-CB 3.47Å; S236-Q239 PolarHBondContact O-N 2.84Å; S237-Q239 VanDerWaalsContact C-N 3.31Å; S237-Q239 PolarHBondContact O-N 3.14Å; Q239-L241 PolarHBondContact O-N 3.19Å; Q239-Q242 PolarHBondContact O-N 3.09Å; Q239-Q242 PolarHBondContact O-NE2 2.98Å
240D98Very high98.4Very high101 Ų10117.9 Ų17.954%0.549%0.088SC..Hα-helixtrans-61.4-35.6177.8-72.4-6.3000112S236 Q242 K330S236-D240 WeakPolarHBondContact O-CB 3.29Å; S236-D240 VanDerWaalsContact O-CG 3.22Å; S236-D240 PolarHBondContact O-N 3.09Å; D240-Q242 VanDerWaalsContact C-N 3.3Å; D240-K330 HydrophobicContact CB-CD 4.27Å; D240-K330 WeakPolarHBondContact OD2-CE 3.38Å; D240-K330 IonicContact OD2-NZ 3.2Å; D240-K330 PolarHBondContact OD2-NZ 2.72Å
241L98.2Very high98.5Very high69 Ų6916.8 Ų16.836%0.3618%0.084SC..THydrogen-bonded Turntrans-87.85.9178.1-64175.1000113.4S237 C238 Q239 I243 L327 K330S237-L241 WeakPolarHBondContact O-CB 3.36Å; S237-L241 WeakPolarHBondContact O-CG 2.76Å; S237-L241 PolarHBondContact O-N 3.16Å; S237-L241 VanDerWaalsContact O-N 3.16Å; C238-L241 CarbonylContact O-C 3.47Å; C238-L241 PolarHBondContact O-N 3.18Å; Q239-L241 PolarHBondContact O-N 3.19Å; L241-I243 HydrophobicContact CB-CD1 3.73Å; L241-I243 HydrophobicContact CB-CG1 3.92Å; L241-I243 HydrophobicContact CD1-CD1 4.06Å; L241-I243 PolarHBondContact O-N 3.41Å; L241-L327 HydrophobicContact CD1-CB 4.06Å; L241-L327 HydrophobicContact CD1-CD1 4.18Å; L241-K330 HydrophobicContact CD1-CB 4.29Å; L241-K330 HydrophobicContact CD1-CD 3.98Å; L241-K330 HydrophobicContact CD2-CD 4.22Å; L241-K330 HydrophobicContact CG-CD 3.85Å
242Q97.8Very high98.4Very high95 Ų9516.8 Ų16.844%0.4448%0.084SC..THydrogen-bonded Turntrans56.533.2-177.7-60.9-68.4-7100113.7S79 C238 Q239 D240S79-Q242 PolarHBondContact OG-OE1 3.23Å; C238-Q242 PolarHBondContact O-N 2.91Å; C238-Q242 VanDerWaalsContact O-N 3.1Å; Q239-Q242 PolarHBondContact O-N 3.09Å; Q239-Q242 PolarHBondContact O-NE2 2.98Å; D240-Q242 VanDerWaalsContact C-N 3.3Å
243I98.6Very high98.3Very high9 Ų919.8 Ų19.85%0.04610%0.098CC..  trans-89121178.4-64.2170000109.5C238 L241 H245 P264 L319 T323 L327C238-I243 HydrophobicContact CB-CB 4.15Å; C238-I243 HydrophobicContact CB-CG2 4.43Å; C238-I243 PolarHBondContact O-N 3.03Å; L241-I243 HydrophobicContact CB-CD1 3.73Å; L241-I243 HydrophobicContact CB-CG1 3.92Å; L241-I243 HydrophobicContact CD1-CD1 4.06Å; L241-I243 PolarHBondContact O-N 3.41Å; I243-H245 PolarHBondContact O-ND1 3.3Å; I243-P264 HydrophobicContact CG2-CB 3.81Å; I243-L319 HydrophobicContact CD1-CD1 4.22Å; I243-L319 HydrophobicContact CG1-CD1 4.37Å; I243-L319 HydrophobicContact CG2-CD1 3.46Å; I243-L319 VanDerWaalsContact CG2-CD1 3.46Å; I243-T323 HydrophobicContact CD1-CG2 3.81Å; I243-T323 HydrophobicContact CG1-CG2 4.1Å; I243-L327 HydrophobicContact CD1-CB 3.97Å; I243-L327 HydrophobicContact CD1-CD1 4.41Å; I243-L327 HydrophobicContact CD1-CD2 4.26Å; I243-L327 HydrophobicContact CD1-CG 4.45Å
244A98.4Very high98.1Very high0 Ų023.3 Ų23.30%012%0.123CC..  trans-60.8138.7169.900000110I80 L168 A169 R265I80-A244 HydrophobicContact CG2-CB 4.39Å; L168-A244 HydrophobicContact CB-CB 4.03Å; A169-A244 HydrophobicContact CB-CB 4.15Å; A244-R265 HydrophobicContact CB-CG 4.3Å; A244-R265 WeakPolarHBondContact O-CG 2.93Å; A244-R265 PolarHBondContact O-N 3.37Å
245H98.8Very high98Very high1 Ų125.2 Ų25.21%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-150.4154.2-174.959-81.7000113.2F164 S166 A169 C238 I243 W263F164-H245 AromaticContact CE1-NE2 3.66Å; S166-H245 WeakPolarHBondContact CB-O 3.21Å; S166-H245 PolarHBondContact N-O 2.89Å; S166-H245 PolarHBondContact OG-N 2.76Å; S166-H245 PolarHBondContact OG-O 3.05Å; A169-H245 WeakPolarHBondContact CB-O 3.3Å; C238-H245 HydrophobicContact CB-CB 4.32Å; I243-H245 PolarHBondContact O-ND1 3.3Å; H245-W263 WeakPolarHBondContact CA-O 3.28Å
246N98.9Very high97.8Very high0 Ų025.7 Ų25.70%014%0.14CC..EExtended strand (participates in β ladder)trans-117.8145.3172.6-57.891.2000109.3F164 N165 A169 V262 W263 R265 V287 L290F164-N246 VanDerWaalsContact O-CA 3.28Å; F164-N246 WeakPolarHBondContact O-CA 3.43Å; N165-N246 PolarHBondContact OD1-ND2 3.35Å; A169-N246 PolarHBondContact O-ND2 3.16Å; N246-V262 WeakPolarHBondContact O-CA 3.4Å; N246-W263 HydrophobicContact CB-CE3 4.18Å; N246-W263 PolarHBondContact N-O 2.59Å; N246-W263 PolarHBondContact O-N 3.44Å; N246-R265 WeakPolarHBondContact OD1-CD 3.31Å; N246-V287 HydrophobicContact CB-CB 4.11Å; N246-V287 HydrophobicContact CB-CG2 4.27Å; N246-L290 HydrophobicContact CB-CD1 3.76Å; N246-L290 WeakPolarHBondContact OD1-CD1 3.29Å
247V98.9Very high97.8Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-125.6124.8174.7-174.10000108.8F145 G163 F164 I235 V260 V261 V262 V287F145-V247 HydrophobicContact CE2-CG1 4.02Å; G163-V247 CarbonylContact C-O 3.56Å; G163-V247 WeakPolarHBondContact CA-O 3.16Å; F164-V247 HydrophobicContact CB-CB 3.97Å; F164-V247 HydrophobicContact CB-CG2 4.42Å; F164-V247 HydrophobicContact CD1-CG2 4.17Å; F164-V247 PolarHBondContact N-O 3.24Å; F164-V247 PolarHBondContact O-N 3.4Å; I235-V247 HydrophobicContact CD1-CG2 4.06Å; I235-V247 HydrophobicContact CG1-CG2 4.13Å; V247-V260 HydrophobicContact CG1-CG1 3.68Å; V247-V261 CarbonylContact C-O 3.51Å; V247-V261 WeakPolarHBondContact CA-O 3.41Å; V247-V262 HydrophobicContact CG1-CG2 4.3Å; V247-V262 HydrophobicContact CG2-CG1 4.34Å; V247-V262 HydrophobicContact CG2-CG2 4.26Å; V247-V287 WeakPolarHBondContact O-CG2 3.29Å
248F98.9Very high97.7Very high2 Ų227 Ų271%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-116.8137.3176.7174.2-104.3000110.6C161 V162 W181 L187 A189 M190 A250 V260 V261 W263 V287 A291C161-F248 HydrophobicContact CB-CE2 3.73Å; C161-F248 HydrophobicContact CB-CZ 4.26Å; V162-F248 CarbonylContact O-C 3.6Å; V162-F248 WeakPolarHBondContact O-CA 3.33Å; W181-F248 AromaticContact CH2-CD2 3.95Å; W181-F248 HydrophobicContact CH2-CD2 3.95Å; W181-F248 AromaticContact CH2-CE2 3.92Å; W181-F248 HydrophobicContact CH2-CE2 3.92Å; W181-F248 HydrophobicContact CZ2-CD2 4.23Å; W181-F248 AromaticContact CZ2-CE2 3.74Å; W181-F248 HydrophobicContact CZ2-CE2 3.74Å; L187-F248 HydrophobicContact CD1-CE2 4.37Å; L187-F248 HydrophobicContact CD1-CZ 4.28Å; A189-F248 HydrophobicContact CB-CD1 3.82Å; A189-F248 HydrophobicContact CB-CE1 3.65Å; M190-F248 HydrophobicContact CG-CE1 4.03Å; M190-F248 HydrophobicContact CG-CZ 4.01Å; M190-F248 HydrophobicContact SD-CZ 4.47Å; F248-A250 HydrophobicContact CD1-CB 4.27Å; F248-A250 HydrophobicContact CE1-CB 3.39Å; F248-A250 HydrophobicContact CE2-CB 4.3Å; F248-A250 HydrophobicContact CZ-CB 3.42Å; F248-A250 VanDerWaalsContact CZ-CB 3.42Å; F248-V260 CarbonylContact O-C 3.56Å; F248-V260 VanDerWaalsContact O-CA 3.24Å; F248-V260 WeakPolarHBondContact O-CA 3.49Å; F248-V261 HydrophobicContact CD1-CG2 4.41Å; F248-V261 PolarHBondContact N-O 3.31Å; F248-V261 PolarHBondContact O-N 2.9Å; F248-W263 HydrophobicContact CB-CE3 4.43Å; F248-W263 HydrophobicContact CB-CH2 3.63Å; F248-W263 HydrophobicContact CB-CZ3 3.3Å; F248-W263 HydrophobicContact CD1-CH2 4.19Å; F248-W263 HydrophobicContact CG-CH2 4.09Å; F248-W263 HydrophobicContact CG-CZ3 4.2Å; F248-V287 HydrophobicContact CB-CG2 3.79Å; F248-V287 HydrophobicContact CD2-CG2 4.33Å; F248-A291 HydrophobicContact CD1-CB 4.29Å; F248-A291 HydrophobicContact CD2-CB 3.78Å; F248-A291 HydrophobicContact CE1-CB 4.15Å; F248-A291 HydrophobicContact CE2-CB 3.62Å; F248-A291 HydrophobicContact CG-CB 4.1Å; F248-A291 HydrophobicContact CZ-CB 3.81Å
249V98.9Very high97.7Very high1 Ų127.3 Ų27.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-126.1124.9177.4-167.80000107.6I149 F152 C161 V162 V258 R259 V260I149-V249 HydrophobicContact CD1-CG1 4.08Å; I149-V249 HydrophobicContact CD1-CG2 3.87Å; F152-V249 HydrophobicContact CB-CG1 4.4Å; F152-V249 HydrophobicContact CD1-CG1 3.6Å; F152-V249 HydrophobicContact CD2-CG1 4.3Å; F152-V249 HydrophobicContact CE1-CG1 3.91Å; F152-V249 HydrophobicContact CG-CG1 3.83Å; F152-V249 HydrophobicContact CZ-CG1 4.39Å; C161-V249 CarbonylContact C-O 3.43Å; C161-V249 WeakPolarHBondContact CA-O 3.35Å; V162-V249 HydrophobicContact CB-CB 4.06Å; V162-V249 HydrophobicContact CB-CG2 4.3Å; V162-V249 HydrophobicContact CG1-CG2 4.29Å; V162-V249 PolarHBondContact N-O 3.17Å; V162-V249 PolarHBondContact O-N 3.12Å; V249-V258 HydrophobicContact CG1-CG1 3.62Å; V249-R259 WeakPolarHBondContact CA-O 3.37Å; V249-V260 HydrophobicContact CB-CG2 4.32Å; V249-V260 HydrophobicContact CG1-CG2 3.89Å; V249-V260 HydrophobicContact CG2-CG1 4.49Å; V249-V260 HydrophobicContact CG2-CG2 4.01Å
250A98.5Very high97.8Very high1 Ų127 Ų271%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-154.2178.8174.700000109.8M190 F248 R259M190-A250 HydrophobicContact CE-CB 4.24Å; M190-A250 HydrophobicContact CG-CB 3.71Å; M190-A250 HydrophobicContact SD-CB 4.28Å; F248-A250 HydrophobicContact CD1-CB 4.27Å; F248-A250 HydrophobicContact CE1-CB 3.39Å; F248-A250 HydrophobicContact CE2-CB 4.3Å; F248-A250 HydrophobicContact CZ-CB 3.42Å; F248-A250 VanDerWaalsContact CZ-CB 3.42Å; A250-R259 PolarHBondContact N-O 2.89Å; A250-R259 PolarHBondContact O-N 3.13Å; A250-R259 VanDerWaalsContact O-O 3.12Å
251R97.6Very high97.8Very high1 Ų122.2 Ų22.20%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-92.1132.1170.2-63.8-175.8177.8-77.2-1.3110.5I11 L12 F152 S155 G256 F257I11-R251 PolarHBondContact O-NH2 2.92Å; L12-R251 PolarHBondContact O-NH1 2.87Å; F152-R251 HydrophobicContact CE1-CG 4.16Å; F152-R251 HydrophobicContact CZ-CG 4.24Å; S155-R251 PolarHBondContact O-NE 3.44Å; S155-R251 PolarHBondContact O-NH2 2.86Å; R251-G256 PolarHBondContact NH1-O 3.33Å; R251-F257 CarbonylContact C-O 3.5Å; R251-F257 VanDerWaalsContact CA-O 3.27Å; R251-F257 WeakPolarHBondContact CA-O 3.49Å
252S97.1Very high97.8Very high0 Ų018.9 Ų18.90%010%0.1CC..  trans-60.8137.5172.8168.30000110.4E217 S254 T255 G256 F257 R259E217-S252 VanDerWaalsContact OE1-CB 3.27Å; E217-S252 WeakPolarHBondContact OE1-CB 3.27Å; E217-S252 PolarHBondContact OE1-OG 3.26Å; S252-S254 PolarHBondContact OG-N 3.34Å; S252-S254 PolarHBondContact OG-OG 3.19Å; S252-T255 WeakPolarHBondContact CB-OG1 3.44Å; S252-T255 PolarHBondContact OG-N 2.77Å; S252-T255 PolarHBondContact OG-OG1 2.87Å; S252-G256 WeakPolarHBondContact O-CA 3.47Å; S252-G256 PolarHBondContact O-N 3.08Å; S252-F257 PolarHBondContact N-O 2.97Å; S252-R259 PolarHBondContact OG-NH2 3.28Å
253K96.3Very high97.9Very high109 Ų10914.4 Ų14.447%0.4748%0.079SC..THydrogen-bonded Turntrans-65-40.3178.1-179.2178.1178.7-173.60111.8Y186 M190Y186-K253 HydrophobicContact CD1-CB 3.73Å; Y186-K253 HydrophobicContact CD1-CD 4.32Å; Y186-K253 HydrophobicContact CD1-CG 4.06Å; Y186-K253 HydrophobicContact CD2-CB 4.48Å; Y186-K253 HydrophobicContact CD2-CD 3.71Å; Y186-K253 HydrophobicContact CD2-CG 3.89Å; Y186-K253 HydrophobicContact CE1-CB 3.64Å; Y186-K253 HydrophobicContact CE1-CG 3.92Å; Y186-K253 HydrophobicContact CE2-CB 4.38Å; Y186-K253 HydrophobicContact CE2-CD 4.03Å; Y186-K253 HydrophobicContact CE2-CG 3.72Å; Y186-K253 HydrophobicContact CG-CB 4.12Å; Y186-K253 HydrophobicContact CG-CD 3.82Å; Y186-K253 HydrophobicContact CG-CG 4.01Å; M190-K253 PolarHBondContact O-N 3.48Å
254S94.8Very high97.9Very high76 Ų7614 Ų1453%0.5318%0.077SC..THydrogen-bonded Turntrans-79.4-44.5-174.453.50000111.9S252S252-S254 PolarHBondContact OG-N 3.34Å; S252-S254 PolarHBondContact OG-OG 3.19Å
255T95.1Very high97.9Very high39 Ų3914 Ų1424%0.2398%0.077CC..THydrogen-bonded Turntrans-97.4-27.7-174.865.50000112.6R13 E217 S252 F257R13-T255 PolarHBondContact NE-O 2.71Å; R13-T255 PolarHBondContact NH2-O 2.82Å; R13-T255 VanDerWaalsContact NH2-O 3.14Å; E217-T255 PolarHBondContact OE2-OG1 2.77Å; S252-T255 WeakPolarHBondContact CB-OG1 3.44Å; S252-T255 PolarHBondContact OG-N 2.77Å; S252-T255 PolarHBondContact OG-OG1 2.87Å; T255-F257 HydrophobicContact CG2-CD2 4.33Å; T255-F257 PolarHBondContact O-N 2.95Å; T255-F257 PolarHBondContact OG1-N 3.38Å
256G95.4Very high97.8Very high11 Ų1115.7 Ų15.711%0.1139%0.089CC..  trans75-3.1-17300000114.3R13 S14 R251 S252R13-G256 WeakPolarHBondContact CA-O 3.41Å; S14-G256 PolarHBondContact N-O 3.29Å; R251-G256 PolarHBondContact NH1-O 3.33Å; S252-G256 WeakPolarHBondContact O-CA 3.47Å; S252-G256 PolarHBondContact O-N 3.08Å
257F97.2Very high97.7Very high46 Ų4617.7 Ų17.720%0.20210%0.103CC..BIsolated β-bridgetrans-73157176.2-66.3-44.5000111.6L12 R13 L218 T219 R251 S252 T255 R259L12-F257 HydrophobicContact CD1-CD1 4.29Å; L12-F257 HydrophobicContact CD2-CD1 4.5Å; L12-F257 HydrophobicContact CD2-CE1 4.06Å; L12-F257 HydrophobicContact CG-CD1 3.97Å; L12-F257 HydrophobicContact CG-CE1 4.01Å; R13-F257 HydrophobicContact CB-CD1 4.36Å; R13-F257 HydrophobicContact CB-CE1 4.43Å; L218-F257 WeakPolarHBondContact O-CB 3.32Å; T219-F257 HydrophobicContact CG2-CD2 3.98Å; T219-F257 HydrophobicContact CG2-CE2 4.09Å; R251-F257 CarbonylContact C-O 3.5Å; R251-F257 VanDerWaalsContact CA-O 3.27Å; R251-F257 WeakPolarHBondContact CA-O 3.49Å; S252-F257 PolarHBondContact N-O 2.97Å; T255-F257 HydrophobicContact CG2-CD2 4.33Å; T255-F257 PolarHBondContact O-N 2.95Å; T255-F257 PolarHBondContact OG1-N 3.38Å; F257-R259 PolarHBondContact O-N 3.1Å
258V98Very high97.4Very high0 Ų019.8 Ų19.80%012%0.115CC..EExtended strand (participates in β ladder)trans-66.6119.7171.9-179.50000108.7F152 L153 E217 L218 V249F152-V258 HydrophobicContact CD1-CG1 3.86Å; F152-V258 HydrophobicContact CD1-CG2 3.99Å; F152-V258 HydrophobicContact CE1-CB 4.41Å; F152-V258 HydrophobicContact CE1-CG1 3.9Å; F152-V258 HydrophobicContact CE1-CG2 3.86Å; L153-V258 HydrophobicContact CD2-CG2 3.52Å; L153-V258 HydrophobicContact CG-CG2 4.4Å; E217-V258 CarbonylContact C-O 3.57Å; E217-V258 VanDerWaalsContact CA-O 3.28Å; E217-V258 WeakPolarHBondContact CA-O 3.32Å; L218-V258 HydrophobicContact CB-CB 4.34Å; L218-V258 PolarHBondContact N-O 3.06Å; V249-V258 HydrophobicContact CG1-CG1 3.62Å
259R98.5Very high97Very high6 Ų625.5 Ų25.52%0.02314%0.14CC..EExtended strand (participates in β ladder)trans-108.5130.8174.1-179.9-177.9-70.7-174.2-8108.6A189 T192 V215 L216 E217 V249 A250 S252 F257 V261A189-R259 WeakPolarHBondContact O-CD 3.42Å; A189-R259 PolarHBondContact O-NH1 2.82Å; T192-R259 PolarHBondContact O-NH1 2.8Å; V215-R259 HydrophobicContact CG1-CG 3.67Å; L216-R259 WeakPolarHBondContact O-CA 3.4Å; E217-R259 HydrophobicContact CG-CB 3.99Å; E217-R259 HydrophobicContact CG-CG 4.09Å; E217-R259 IonicContact OE1-CZ 3.37Å; E217-R259 IonicContact OE1-NE 2.63Å; E217-R259 PolarHBondContact OE1-NE 2.77Å; E217-R259 IonicContact OE1-NH2 3.42Å; E217-R259 PolarHBondContact OE1-NH2 2.93Å; V249-R259 WeakPolarHBondContact CA-O 3.37Å; A250-R259 PolarHBondContact N-O 2.89Å; A250-R259 PolarHBondContact O-N 3.13Å; A250-R259 VanDerWaalsContact O-O 3.12Å; S252-R259 PolarHBondContact OG-NH2 3.28Å; F257-R259 PolarHBondContact O-N 3.1Å; R259-V261 HydrophobicContact CG-CG2 4.23Å
260V98.9Very high96.1Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-112.7133.3170.2179.90000109.1F145 I149 V215 L216 F227 L231 V247 F248 V249 V262F145-V260 HydrophobicContact CZ-CG1 4.43Å; I149-V260 HydrophobicContact CD1-CG2 3.86Å; V215-V260 WeakPolarHBondContact CA-O 3.36Å; L216-V260 PolarHBondContact N-O 2.69Å; L216-V260 VanDerWaalsContact N-O 3.09Å; L216-V260 PolarHBondContact O-N 3.32Å; F227-V260 HydrophobicContact CE1-CG2 3.94Å; F227-V260 HydrophobicContact CZ-CB 4.15Å; F227-V260 HydrophobicContact CZ-CG2 3.58Å; L231-V260 HydrophobicContact CD1-CB 3.61Å; L231-V260 HydrophobicContact CD1-CG1 3.81Å; L231-V260 HydrophobicContact CD1-CG2 3.69Å; L231-V260 HydrophobicContact CD2-CB 3.77Å; L231-V260 HydrophobicContact CD2-CG1 3.58Å; L231-V260 HydrophobicContact CG-CB 4.35Å; L231-V260 HydrophobicContact CG-CG1 4.29Å; V247-V260 HydrophobicContact CG1-CG1 3.68Å; F248-V260 CarbonylContact O-C 3.56Å; F248-V260 VanDerWaalsContact O-CA 3.24Å; F248-V260 WeakPolarHBondContact O-CA 3.49Å; V249-V260 HydrophobicContact CB-CG2 4.32Å; V249-V260 HydrophobicContact CG1-CG2 3.89Å; V249-V260 HydrophobicContact CG2-CG1 4.49Å; V249-V260 HydrophobicContact CG2-CG2 4.01Å; V260-V262 HydrophobicContact CG1-CG2 4.48Å
261V98.9Very high94.7Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-119.6127.3174.6-1700000108.7A189 L206 N213 F214 V215 V247 F248 R259 W263A189-V261 HydrophobicContact CB-CG2 4.4Å; L206-V261 HydrophobicContact CD1-CG1 4.07Å; L206-V261 HydrophobicContact CD1-CG2 4.28Å; L206-V261 HydrophobicContact CD2-CG2 4.49Å; L206-V261 HydrophobicContact CG-CG1 4.48Å; N213-V261 HydrophobicContact CB-CG1 3.86Å; F214-V261 CarbonylContact O-C 3.47Å; F214-V261 WeakPolarHBondContact O-CA 3.38Å; V215-V261 HydrophobicContact CG1-CG2 4.41Å; V215-V261 HydrophobicContact CG2-CB 4.44Å; V215-V261 HydrophobicContact CG2-CG1 4Å; V215-V261 HydrophobicContact CG2-CG2 4.07Å; V247-V261 CarbonylContact C-O 3.51Å; V247-V261 WeakPolarHBondContact CA-O 3.41Å; F248-V261 HydrophobicContact CD1-CG2 4.41Å; F248-V261 PolarHBondContact N-O 3.31Å; F248-V261 PolarHBondContact O-N 2.9Å; R259-V261 HydrophobicContact CG-CG2 4.23Å; V261-W263 HydrophobicContact CB-CE3 4.48Å; V261-W263 HydrophobicContact CB-CH2 3.83Å; V261-W263 HydrophobicContact CB-CZ2 3.9Å; V261-W263 HydrophobicContact CB-CZ3 4.15Å; V261-W263 HydrophobicContact CG1-CD2 3.8Å; V261-W263 HydrophobicContact CG1-CE3 4.17Å; V261-W263 HydrophobicContact CG1-CG 4.5Å; V261-W263 HydrophobicContact CG1-CH2 3.82Å; V261-W263 HydrophobicContact CG1-CZ2 3.38Å; V261-W263 HydrophobicContact CG1-CZ3 4.2Å; V261-W263 HydrophobicContact CG2-CH2 4.46Å; V261-W263 HydrophobicContact CG2-CZ2 4.47Å
262V98.9Very high93.3Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-109.2124171.4-1740000108.2N213 F214 L231 V234 I235 N246 V247 V260 P264N213-V262 CarbonylContact C-O 3.44Å; N213-V262 WeakPolarHBondContact CA-O 3.08Å; F214-V262 PolarHBondContact N-O 2.74Å; F214-V262 PolarHBondContact O-N 3.33Å; L231-V262 HydrophobicContact CD2-CG2 4.25Å; V234-V262 HydrophobicContact CG1-CB 4.18Å; V234-V262 HydrophobicContact CG1-CG1 3.98Å; I235-V262 HydrophobicContact CG1-CG1 4.43Å; I235-V262 HydrophobicContact CG1-CG2 4.23Å; N246-V262 WeakPolarHBondContact O-CA 3.4Å; V247-V262 HydrophobicContact CG1-CG2 4.3Å; V247-V262 HydrophobicContact CG2-CG1 4.34Å; V247-V262 HydrophobicContact CG2-CG2 4.26Å; V260-V262 HydrophobicContact CG1-CG2 4.48Å; V262-P264 WeakPolarHBondContact O-CD 3.25Å
263W98.9Very high91.8Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-109.7103.9173.2-65.2-85.2000110.2A189 L206 H209 V211 N213 H245 N246 F248 V261 V287 L290 A291A189-W263 HydrophobicContact CB-CH2 3.99Å; A189-W263 HydrophobicContact CB-CZ2 4.04Å; L206-W263 HydrophobicContact CD1-CZ2 4.04Å; H209-W263 AromaticContact CE1-CD1 3.83Å; H209-W263 AromaticContact CE1-CE2 4Å; H209-W263 AromaticContact CE1-NE1 3.18Å; H209-W263 PolarHBondContact CE1-NE1 3Å; H209-W263 AromaticContact ND1-CD1 3.92Å; H209-W263 AromaticContact ND1-NE1 3.38Å; H209-W263 PolarHBondContact ND1-NE1 2.86Å; H209-W263 AromaticContact NE2-NE1 3.75Å; V211-W263 HydrophobicContact CG1-CB 4.43Å; N213-W263 HydrophobicContact CB-CG 4.26Å; H245-W263 WeakPolarHBondContact CA-O 3.28Å; N246-W263 HydrophobicContact CB-CE3 4.18Å; N246-W263 PolarHBondContact N-O 2.59Å; N246-W263 PolarHBondContact O-N 3.44Å; F248-W263 HydrophobicContact CB-CE3 4.43Å; F248-W263 HydrophobicContact CB-CH2 3.63Å; F248-W263 HydrophobicContact CB-CZ3 3.3Å; F248-W263 HydrophobicContact CD1-CH2 4.19Å; F248-W263 HydrophobicContact CG-CH2 4.09Å; F248-W263 HydrophobicContact CG-CZ3 4.2Å; V261-W263 HydrophobicContact CB-CE3 4.48Å; V261-W263 HydrophobicContact CB-CH2 3.83Å; V261-W263 HydrophobicContact CB-CZ2 3.9Å; V261-W263 HydrophobicContact CB-CZ3 4.15Å; V261-W263 HydrophobicContact CG1-CD2 3.8Å; V261-W263 HydrophobicContact CG1-CE3 4.17Å; V261-W263 HydrophobicContact CG1-CG 4.5Å; V261-W263 HydrophobicContact CG1-CH2 3.82Å; V261-W263 HydrophobicContact CG1-CZ2 3.38Å; V261-W263 HydrophobicContact CG1-CZ3 4.2Å; V261-W263 HydrophobicContact CG2-CH2 4.46Å; V261-W263 HydrophobicContact CG2-CZ2 4.47Å; W263-V287 HydrophobicContact CZ3-CG2 4.22Å; W263-L290 HydrophobicContact CB-CD1 3.93Å; W263-L290 HydrophobicContact CD2-CB 3.93Å; W263-L290 HydrophobicContact CD2-CD1 4.13Å; W263-L290 HydrophobicContact CE3-CB 3.94Å; W263-L290 HydrophobicContact CE3-CD1 4.1Å; W263-L290 HydrophobicContact CG-CB 4.47Å; W263-L290 HydrophobicContact CG-CD1 4.07Å; W263-L290 HydrophobicContact CG-CD2 4.49Å; W263-L290 HydrophobicContact CH2-CB 4.2Å; W263-L290 HydrophobicContact CZ2-CB 4.22Å; W263-L290 HydrophobicContact CZ3-CB 4.03Å; W263-A291 HydrophobicContact CH2-CB 4.22Å
264P98.8Very high90.4Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-65.4133.5159.6-1227.9000109.1F214 I243 V262 L319 I324 L327F214-P264 HydrophobicContact CD2-CG 4.12Å; F214-P264 HydrophobicContact CE2-CG 3.9Å; I243-P264 HydrophobicContact CG2-CB 3.81Å; V262-P264 WeakPolarHBondContact O-CD 3.25Å; P264-L319 HydrophobicContact CB-CD1 3.77Å; P264-I324 HydrophobicContact CB-CD1 4.31Å; P264-L327 HydrophobicContact CB-CD2 3.61Å; P264-L327 HydrophobicContact CG-CD2 3.33Å
265R98.4Very high88.8Confident0 Ų039.7 Ų39.70%021%0.213CC..  trans-145.1166.3-174.963.7165.7-69.9-1473.8112.8A169 H170 A244 N246 V285 E317 L319A169-R265 VanDerWaalsContact C-NH1 3.29Å; A169-R265 VanDerWaalsContact CA-NH1 3.27Å; A169-R265 HydrophobicContact CB-CG 4.5Å; H170-R265 PolarHBondContact CD2-NH1 2.94Å; H170-R265 PolarHBondContact NE2-NH1 3.08Å; H170-R265 PolarHBondContact NE2-NH2 3.34Å; H170-R265 VanDerWaalsContact NE2-NH2 3.12Å; A244-R265 HydrophobicContact CB-CG 4.3Å; A244-R265 WeakPolarHBondContact O-CG 2.93Å; A244-R265 PolarHBondContact O-N 3.37Å; N246-R265 WeakPolarHBondContact OD1-CD 3.31Å; R265-V285 PolarHBondContact NH1-O 3.3Å; R265-E317 WeakPolarHBondContact CA-O 3.44Å; R265-E317 HydrophobicContact CB-CB 4.47Å; R265-E317 WeakPolarHBondContact CB-O 3.35Å; R265-E317 IonicContact CZ-OE2 3.54Å; R265-E317 IonicContact NE-OE2 2.78Å; R265-E317 PolarHBondContact NE-OE2 3.21Å; R265-E317 IonicContact NH2-OE2 3.87Å; R265-E317 PolarHBondContact NH2-OE2 3.47Å; R265-L319 WeakPolarHBondContact O-CD2 3.5Å
266C97.3Very high86.9Confident38 Ų3842.6 Ų42.626%0.25723%0.23SC..  trans-57.2137.2168.7-79.90000111.6E317 R318C266-E317 PolarHBondContact N-O 3.19Å; C266-R318 PolarHBondContact SG-O 3.08Å
267S96.5Very high85Confident41 Ų4144.8 Ų44.829%0.28724%0.239SC..  trans-71.5137.5175.2-64.60000111.3
268V93.2Very high82.9Confident44 Ų4451.2 Ų51.227%0.26728%0.275SS..  trans-108.6108172.9179.40000109.6L168 E270L168-V268 WeakPolarHBondContact CD2-O 3.49Å; L168-V268 PolarHBondContact O-N 3.37Å; V268-E270 VanDerWaalsContact CG1-O 3.3Å; V268-E270 WeakPolarHBondContact CG1-O 3.16Å
269F89.6Confident80.5Confident123 Ų12355.3 Ų55.354%0.53930%0.304SS..  trans-89.1-26.7177.4-62.2-81.2000112.7L168L168-F269 HydrophobicContact CD1-CD1 4.16Å; L168-F269 HydrophobicContact CD1-CE1 3.54Å; L168-F269 HydrophobicContact CD1-CZ 3.96Å; L168-F269 HydrophobicContact CD2-CD1 3.72Å; L168-F269 HydrophobicContact CD2-CE1 3.99Å; L168-F269 HydrophobicContact CD2-CG 4.4Å; L168-F269 HydrophobicContact CG-CE1 4.42Å
270E79.9Confident78.3Confident143 Ų14362.2 Ų62.267%0.66834%0.336SS*.  trans-89.8123.8-179.2-67-177.5179.500111.8V268 K272V268-E270 VanDerWaalsContact CG1-O 3.3Å; V268-E270 WeakPolarHBondContact CG1-O 3.16Å; E270-K272 PolarHBondContact O-N 3.04Å
271T69.4Low76.3Confident67 Ų6764.2 Ų64.241%0.41135%0.349SS..  trans-85.193.3167.656.80000109.3P74P74-T271 HydrophobicContact CB-CG2 3.95Å
272K68Low75.1Confident124 Ų12464.8 Ų64.854%0.53935%0.353SS..  trans-67.1145.9168.4-64.8-175.9-179.3-1800109.3E270 I277 Y284E270-K272 PolarHBondContact O-N 3.04Å; K272-I277 HydrophobicContact CB-CD1 4.26Å; K272-Y284 HydrophobicContact CB-CE1 4.48Å; K272-Y284 PolarHBondContact O-OH 3.34Å
273N65.4Low74.5Confident73 Ų7365.4 Ų65.439%0.3936%0.356SS..  trans-104107165.3-169.91.9000108.4S275 T276 I277N273-S275 PolarHBondContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 3Å; N273-S275 PolarHBondContact OD1-N 2.98Å; N273-S275 PolarHBondContact OD1-OG 2.62Å; N273-T276 PolarHBondContact O-N 3.18Å; N273-T276 PolarHBondContact O-OG1 3.26Å; N273-T276 VanDerWaalsContact O-OG1 3.08Å; N273-I277 WeakPolarHBondContact O-CD1 3.37Å; N273-I277 WeakPolarHBondContact O-CG1 3.3Å
274L67.5Low74.1Confident14 Ų1466.8 Ų66.87%0.07336%0.362CS..G310 helixtrans-70.4-15.9-173.6-66.9175.7000113.9F68 T276 I277 F283 Y284 V297F68-L274 HydrophobicContact CD1-CB 4.09Å; F68-L274 HydrophobicContact CD1-CD1 3.81Å; F68-L274 HydrophobicContact CE1-CD1 3.61Å; L274-T276 PolarHBondContact O-N 3.38Å; L274-I277 HydrophobicContact CD2-CD1 4.23Å; L274-F283 VanDerWaalsContact CD1-CA 3.49Å; L274-Y284 HydrophobicContact CD1-CD1 4.21Å; L274-Y284 HydrophobicContact CD1-CD2 3.6Å; L274-Y284 HydrophobicContact CD1-CE1 3.95Å; L274-Y284 HydrophobicContact CD1-CE2 3.23Å; L274-Y284 HydrophobicContact CD1-CG 4.06Å; L274-Y284 VanDerWaalsContact CD1-CZ 3.43Å; L274-Y284 HydrophobicContact CG-CE1 4Å; L274-Y284 HydrophobicContact CG-CE2 3.83Å; L274-Y284 WeakPolarHBondContact CG-OH 3.3Å; L274-V297 HydrophobicContact CB-CG2 4.08Å
275S60.4Low73.9Confident65 Ų6567 Ų6746%0.45536%0.362SS..G310 helixtrans-74.9-8.3178.271.80000113.8N273N273-S275 PolarHBondContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 3Å; N273-S275 PolarHBondContact OD1-N 2.98Å; N273-S275 PolarHBondContact OD1-OG 2.62Å
276T55.4Low73.9Confident100 Ų10067.5 Ų67.561%0.61337%0.367SS*.G310 helixtrans-119.513-172.862.10000113.4N273 L274N273-T276 PolarHBondContact O-N 3.18Å; N273-T276 PolarHBondContact O-OG1 3.26Å; N273-T276 VanDerWaalsContact O-OG1 3.08Å; L274-T276 PolarHBondContact O-N 3.38Å
277I56.3Low73.9Confident57 Ų5765.9 Ų65.929%0.29236%0.356SS..  trans-113.8119-170.6-61.9173.4000109.9K272 N273 L274 S279K272-I277 HydrophobicContact CB-CD1 4.26Å; N273-I277 WeakPolarHBondContact O-CD1 3.37Å; N273-I277 WeakPolarHBondContact O-CG1 3.3Å; L274-I277 HydrophobicContact CD2-CD1 4.23Å; I277-S279 VanDerWaalsContact C-N 3.3Å; I277-S279 WeakPolarHBondContact CG2-O 3.28Å; I277-S279 VanDerWaalsContact CG2-OG 3.26Å; I277-S279 WeakPolarHBondContact CG2-OG 3.11Å
278D52.3Low74Confident181 Ų18164.1 Ų64.197%0.96834%0.344SS*.  trans-83.74.4174.7-69.4-33.3000113.6
279S48.5Very low74.2Confident86 Ų8662.8 Ų62.860%0.60134%0.335SS*.SBendtrans-114.3158.7-18058.10000114.1I277I277-S279 VanDerWaalsContact C-N 3.3Å; I277-S279 WeakPolarHBondContact CG2-O 3.28Å; I277-S279 VanDerWaalsContact CG2-OG 3.26Å; I277-S279 WeakPolarHBondContact CG2-OG 3.11Å
280E50.9Low74.7Confident150 Ų15056.9 Ų56.970%0.70131%0.309SS*.SBendtrans-55168.4-178.7-61.3-161.8139.200115.4K309E280-K309 VanDerWaalsContact CD-NZ 3.29Å; E280-K309 IonicContact OE1-NZ 3.02Å; E280-K309 PolarHBondContact OE1-NZ 2.91Å; E280-K309 IonicContact OE2-NZ 3.54Å
281P56.7Low75.6Confident42 Ų4250.1 Ų50.127%0.27328%0.277SS..  -85.6144.9-62.530.4-18.3000110F283 L305 I313P281-F283 HydrophobicContact CB-CD1 4.48Å; P281-F283 HydrophobicContact CB-CE1 4.33Å; P281-F283 PolarHBondContact O-N 3.01Å; P281-L305 HydrophobicContact CB-CD2 4.38Å; P281-I313 HydrophobicContact CB-CD1 3.89Å; P281-I313 HydrophobicContact CG-CD1 3.35Å; P281-I313 HydrophobicContact CG-CG1 3.82Å
282S75.7Confident76.9Confident12 Ų1247 Ų478%0.08426%0.258CS..  trans-97.761.9-168.554.40000113.4V297 V301S282-V297 WeakPolarHBondContact O-CG2 3.47Å; S282-V301 WeakPolarHBondContact OG-CG1 3.12Å; S282-V301 WeakPolarHBondContact OG-CG2 3.09Å
283F86.3Confident78.3Confident14 Ų1441 Ų416%0.06123%0.232CC..  trans-143159.5162.966.8-87.6000112L274 P281 V285 E289 M294 V295 V296 L305 I313L274-F283 VanDerWaalsContact CD1-CA 3.49Å; P281-F283 HydrophobicContact CB-CD1 4.48Å; P281-F283 HydrophobicContact CB-CE1 4.33Å; P281-F283 PolarHBondContact O-N 3.01Å; F283-V285 HydrophobicContact CD2-CG2 4.48Å; F283-V285 HydrophobicContact CE2-CG2 4.02Å; F283-E289 HydrophobicContact CD2-CG 3.95Å; F283-E289 HydrophobicContact CE2-CG 4.32Å; F283-M294 HydrophobicContact CD2-SD 4.25Å; F283-M294 HydrophobicContact CE2-CG 4.46Å; F283-M294 HydrophobicContact CE2-SD 3.45Å; F283-M294 WeakPolarHBondContact CE2-SD 3.41Å; F283-M294 HydrophobicContact CZ-CG 4.37Å; F283-M294 HydrophobicContact CZ-SD 3.72Å; F283-V295 WeakPolarHBondContact CB-O 3.13Å; F283-V296 HydrophobicContact CB-CG1 4.07Å; F283-V296 HydrophobicContact CD1-CG1 3.83Å; F283-V296 HydrophobicContact CG-CG1 4.14Å; F283-L305 HydrophobicContact CD1-CD1 4.15Å; F283-L305 HydrophobicContact CE1-CD1 3.75Å; F283-L305 HydrophobicContact CE1-CD2 4.08Å; F283-I313 HydrophobicContact CE1-CD1 3.81Å; F283-I313 HydrophobicContact CE2-CG2 4.15Å; F283-I313 HydrophobicContact CZ-CB 4.39Å; F283-I313 HydrophobicContact CZ-CD1 3.82Å; F283-I313 HydrophobicContact CZ-CG2 3.85Å
284Y90.1Very high79.9Confident29 Ų2937.6 Ų37.611%0.11421%0.214CC..  trans-95.1141.1173.3-54.8-77.4000109.4F68 R71 H170 K272 L274 A286 E289F68-Y284 HydrophobicContact CD1-CE2 4.06Å; F68-Y284 HydrophobicContact CE1-CD2 4.09Å; F68-Y284 AromaticContact CE1-CE2 3.99Å; F68-Y284 HydrophobicContact CE1-CE2 3.99Å; R71-Y284 VanDerWaalsContact CZ-CE2 3.42Å; R71-Y284 PolarHBondContact NH2-OH 2.81Å; R71-Y284 VanDerWaalsContact NH2-OH 3.07Å; H170-Y284 AromaticContact CE1-CD1 3.8Å; H170-Y284 AromaticContact ND1-CD1 3.76Å; K272-Y284 HydrophobicContact CB-CE1 4.48Å; K272-Y284 PolarHBondContact O-OH 3.34Å; L274-Y284 HydrophobicContact CD1-CD1 4.21Å; L274-Y284 HydrophobicContact CD1-CD2 3.6Å; L274-Y284 HydrophobicContact CD1-CE1 3.95Å; L274-Y284 HydrophobicContact CD1-CE2 3.23Å; L274-Y284 HydrophobicContact CD1-CG 4.06Å; L274-Y284 VanDerWaalsContact CD1-CZ 3.43Å; L274-Y284 HydrophobicContact CG-CE1 4Å; L274-Y284 HydrophobicContact CG-CE2 3.83Å; L274-Y284 WeakPolarHBondContact CG-OH 3.3Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.32Å; Y284-A286 VanDerWaalsContact O-N 3.12Å; Y284-E289 WeakPolarHBondContact O-CG 3.45Å
285V94.9Very high81.2Confident3 Ų337 Ų372%0.01821%0.211CC..  trans-88.673.7176-171.70000110H170 R265 F283 E289 L290 I313 L314 E317H170-V285 VanDerWaalsContact CD2-C 3.45Å; H170-V285 PolarHBondContact CD2-O 3.2Å; R265-V285 PolarHBondContact NH1-O 3.3Å; F283-V285 HydrophobicContact CD2-CG2 4.48Å; F283-V285 HydrophobicContact CE2-CG2 4.02Å; V285-E289 HydrophobicContact CG1-CB 4.26Å; V285-L290 HydrophobicContact CG1-CD2 3.81Å; V285-L290 HydrophobicContact CG1-CG 3.9Å; V285-I313 HydrophobicContact CG2-CG2 3.67Å; V285-L314 HydrophobicContact CG1-CD2 3.45Å; V285-L314 VanDerWaalsContact CG1-CD2 3.45Å; V285-L314 HydrophobicContact CG2-CD2 4.42Å; V285-E317 HydrophobicContact CB-CG 3.72Å; V285-E317 HydrophobicContact CG1-CG 3.61Å; V285-E317 HydrophobicContact CG2-CG 4.06Å
286A96.4Very high82.8Confident12 Ų1233.9 Ų33.910%0.09919%0.189CC..  trans-90.7-164.4174.500000110.4H170 Y284 A288 E289 L290H170-A286 HydrophobicContact CB-CB 3.85Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.32Å; Y284-A286 VanDerWaalsContact O-N 3.12Å; A286-A288 PolarHBondContact O-N 2.89Å; A286-E289 VanDerWaalsContact C-OE2 3.31Å; A286-E289 VanDerWaalsContact CA-OE2 3.28Å; A286-E289 WeakPolarHBondContact CA-OE2 3.36Å; A286-E289 VanDerWaalsContact CB-OE2 3.25Å; A286-E289 WeakPolarHBondContact CB-OE2 2.9Å; A286-E289 PolarHBondContact N-OE2 3.16Å; A286-E289 PolarHBondContact O-N 2.95Å; A286-L290 WeakPolarHBondContact O-CG 3.45Å; A286-L290 PolarHBondContact O-N 3.12Å
287V98.7Very high84.5Confident4 Ų430.1 Ų30.12%0.02417%0.166CC..Hα-helixtrans-62.1-36.1-176.3670000114.3N165 W181 N246 V247 F248 W263 A291N165-V287 VanDerWaalsContact OD1-CB 3.26Å; N165-V287 WeakPolarHBondContact OD1-CB 3.25Å; N165-V287 VanDerWaalsContact OD1-CG1 3.31Å; N165-V287 WeakPolarHBondContact OD1-CG1 3.41Å; N165-V287 PolarHBondContact OD1-N 2.54Å; W181-V287 HydrophobicContact CH2-CG1 4.41Å; N246-V287 HydrophobicContact CB-CB 4.11Å; N246-V287 HydrophobicContact CB-CG2 4.27Å; V247-V287 WeakPolarHBondContact O-CG2 3.29Å; F248-V287 HydrophobicContact CB-CG2 3.79Å; F248-V287 HydrophobicContact CD2-CG2 4.33Å; W263-V287 HydrophobicContact CZ3-CG2 4.22Å; V287-A291 VanDerWaalsContact O-CB 3.32Å; V287-A291 WeakPolarHBondContact O-CB 3.5Å; V287-A291 PolarHBondContact O-N 3.12Å
288A98.4Very high86.1Confident4 Ų429.5 Ų29.53%0.03316%0.163CC..Hα-helixtrans-67.6-41.2179.200000110.8W181 A286 A291 G292 M293W181-A288 HydrophobicContact CZ2-CB 4.35Å; A286-A288 PolarHBondContact O-N 2.89Å; A288-A291 WeakPolarHBondContact O-CB 3.34Å; A288-A291 PolarHBondContact O-N 3.32Å; A288-G292 PolarHBondContact O-N 3.25Å; A288-M293 CarbonylContact C-O 3.28Å; A288-M293 VanDerWaalsContact C-O 3.28Å; A288-M293 HydrophobicContact CB-CE 3.9Å; A288-M293 PolarHBondContact O-N 3.39Å
289E98.2Very high88Confident15 Ų1525.9 Ų25.97%0.0714%0.14CC..Hα-helixtrans-69-47.2179.3-6476.1-153.500110.8F283 Y284 V285 A286 A291 G292 M293 M294 V295F283-E289 HydrophobicContact CD2-CG 3.95Å; F283-E289 HydrophobicContact CE2-CG 4.32Å; Y284-E289 WeakPolarHBondContact O-CG 3.45Å; V285-E289 HydrophobicContact CG1-CB 4.26Å; A286-E289 VanDerWaalsContact C-OE2 3.31Å; A286-E289 VanDerWaalsContact CA-OE2 3.28Å; A286-E289 WeakPolarHBondContact CA-OE2 3.36Å; A286-E289 VanDerWaalsContact CB-OE2 3.25Å; A286-E289 WeakPolarHBondContact CB-OE2 2.9Å; A286-E289 PolarHBondContact N-OE2 3.16Å; A286-E289 PolarHBondContact O-N 2.95Å; E289-A291 PolarHBondContact O-N 3.21Å; E289-G292 PolarHBondContact O-N 3.42Å; E289-M293 VanDerWaalsContact CA-O 3.29Å; E289-M293 WeakPolarHBondContact CA-O 3.28Å; E289-M293 WeakPolarHBondContact CG-O 3.44Å; E289-M293 PolarHBondContact N-O 3.49Å; E289-M294 HydrophobicContact CB-CE 4.13Å; E289-M294 HydrophobicContact CB-SD 3.91Å; E289-M294 HydrophobicContact CG-SD 4.14Å; E289-M294 WeakPolarHBondContact O-CE 3.39Å; E289-V295 PolarHBondContact OE1-N 2.65Å
290L98.6Very high90Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-56.6-35.2172-70.5168.3000112.2H209 V211 N246 W263 V285 A286 G292 L314H209-L290 PolarHBondContact NE2-O 2.91Å; V211-L290 HydrophobicContact CB-CD2 4.14Å; V211-L290 HydrophobicContact CG1-CD2 4.36Å; V211-L290 HydrophobicContact CG2-CD2 3.72Å; N246-L290 HydrophobicContact CB-CD1 3.76Å; N246-L290 WeakPolarHBondContact OD1-CD1 3.29Å; W263-L290 HydrophobicContact CB-CD1 3.93Å; W263-L290 HydrophobicContact CD2-CB 3.93Å; W263-L290 HydrophobicContact CD2-CD1 4.13Å; W263-L290 HydrophobicContact CE3-CB 3.94Å; W263-L290 HydrophobicContact CE3-CD1 4.1Å; W263-L290 HydrophobicContact CG-CB 4.47Å; W263-L290 HydrophobicContact CG-CD1 4.07Å; W263-L290 HydrophobicContact CG-CD2 4.49Å; W263-L290 HydrophobicContact CH2-CB 4.2Å; W263-L290 HydrophobicContact CZ2-CB 4.22Å; W263-L290 HydrophobicContact CZ3-CB 4.03Å; V285-L290 HydrophobicContact CG1-CD2 3.81Å; V285-L290 HydrophobicContact CG1-CG 3.9Å; A286-L290 WeakPolarHBondContact O-CG 3.45Å; A286-L290 PolarHBondContact O-N 3.12Å; L290-G292 PolarHBondContact O-N 2.92Å; L290-L314 HydrophobicContact CD2-CD2 4.44Å
291A98.6Very high91.9Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-70.6-17.4176.700000113.8L187 R188 A189 F248 W263 V287 A288 E289L187-A291 VanDerWaalsContact CB-O 3.27Å; L187-A291 WeakPolarHBondContact CB-O 3.38Å; L187-A291 HydrophobicContact CD1-CB 3.91Å; R188-A291 WeakPolarHBondContact CB-O 3.08Å; R188-A291 PolarHBondContact N-O 3.3Å; R188-A291 VanDerWaalsContact N-O 3.08Å; A189-A291 HydrophobicContact CB-CB 4.11Å; A189-A291 PolarHBondContact N-O 2.97Å; F248-A291 HydrophobicContact CD1-CB 4.29Å; F248-A291 HydrophobicContact CD2-CB 3.78Å; F248-A291 HydrophobicContact CE1-CB 4.15Å; F248-A291 HydrophobicContact CE2-CB 3.62Å; F248-A291 HydrophobicContact CG-CB 4.1Å; F248-A291 HydrophobicContact CZ-CB 3.81Å; W263-A291 HydrophobicContact CH2-CB 4.22Å; V287-A291 VanDerWaalsContact O-CB 3.32Å; V287-A291 WeakPolarHBondContact O-CB 3.5Å; V287-A291 PolarHBondContact O-N 3.12Å; A288-A291 WeakPolarHBondContact O-CB 3.34Å; A288-A291 PolarHBondContact O-N 3.32Å; E289-A291 PolarHBondContact O-N 3.21Å
292G98.2Very high93.7Very high1 Ų119.6 Ų19.61%0.0110%0.104CC..THydrogen-bonded Turntrans111.618.6-179.200000114.8I59 L60 A288 E289 L290I59-G292 WeakPolarHBondContact CA-O 3.37Å; L60-G292 PolarHBondContact N-O 2.63Å; A288-G292 PolarHBondContact O-N 3.25Å; E289-G292 PolarHBondContact O-N 3.42Å; L290-G292 PolarHBondContact O-N 2.92Å
293M97.7Very high94.5Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-120.898.9175.6-171.2169.568.700110.9L60 L62 F121 W181 L187 A288 E289 V295L60-M293 HydrophobicContact CB-CG 4.38Å; L60-M293 HydrophobicContact CD2-CG 4.03Å; L60-M293 HydrophobicContact CD2-SD 4.04Å; L60-M293 HydrophobicContact CG-CG 4.38Å; L60-M293 CarbonylContact O-C 3.48Å; L60-M293 WeakPolarHBondContact O-CA 3.44Å; L62-M293 HydrophobicContact CD2-SD 4.44Å; F121-M293 HydrophobicContact CD2-CE 3.72Å; F121-M293 HydrophobicContact CE2-CE 3.42Å; F121-M293 VanDerWaalsContact CE2-CE 3.42Å; F121-M293 HydrophobicContact CZ-CE 4.34Å; W181-M293 HydrophobicContact CZ2-CE 4.49Å; L187-M293 HydrophobicContact CD1-CB 4.02Å; L187-M293 HydrophobicContact CD2-CB 3.74Å; L187-M293 HydrophobicContact CD2-CG 4.39Å; L187-M293 HydrophobicContact CD2-SD 4.41Å; A288-M293 CarbonylContact C-O 3.28Å; A288-M293 VanDerWaalsContact C-O 3.28Å; A288-M293 HydrophobicContact CB-CE 3.9Å; A288-M293 PolarHBondContact O-N 3.39Å; E289-M293 VanDerWaalsContact CA-O 3.29Å; E289-M293 WeakPolarHBondContact CA-O 3.28Å; E289-M293 WeakPolarHBondContact CG-O 3.44Å; E289-M293 PolarHBondContact N-O 3.49Å; M293-V295 HydrophobicContact CE-CG2 4.4Å; M293-V295 PolarHBondContact O-N 3.02Å
294M97Very high94.8Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans-77.398.6177.8-52.2-55.7125.100110.1I59 L60 I61 L62 F283 E289 V296 V310 L314I59-M294 HydrophobicContact CG2-CE 3.89Å; I59-M294 HydrophobicContact CG2-CG 3.8Å; L60-M294 PolarHBondContact O-N 2.91Å; I61-M294 CarbonylContact C-O 3.59Å; I61-M294 WeakPolarHBondContact CA-O 3.37Å; I61-M294 HydrophobicContact CB-CB 4.49Å; I61-M294 HydrophobicContact CG1-CB 4.15Å; I61-M294 HydrophobicContact CG1-CG 4.35Å; I61-M294 HydrophobicContact CG2-CB 4.47Å; L62-M294 PolarHBondContact N-O 2.88Å; F283-M294 HydrophobicContact CD2-SD 4.25Å; F283-M294 HydrophobicContact CE2-CG 4.46Å; F283-M294 HydrophobicContact CE2-SD 3.45Å; F283-M294 WeakPolarHBondContact CE2-SD 3.41Å; F283-M294 HydrophobicContact CZ-CG 4.37Å; F283-M294 HydrophobicContact CZ-SD 3.72Å; E289-M294 HydrophobicContact CB-CE 4.13Å; E289-M294 HydrophobicContact CB-SD 3.91Å; E289-M294 HydrophobicContact CG-SD 4.14Å; E289-M294 WeakPolarHBondContact O-CE 3.39Å; M294-V296 HydrophobicContact CB-CG1 4.13Å; M294-V296 PolarHBondContact O-N 2.65Å; M294-V310 HydrophobicContact CE-CG1 3.87Å; M294-V310 HydrophobicContact CG-CG1 4.06Å; M294-V310 HydrophobicContact CG-CG2 4.27Å; M294-V310 HydrophobicContact SD-CG1 3.77Å; M294-L314 HydrophobicContact CE-CD1 4.4Å; M294-L314 HydrophobicContact CE-CD2 4.41Å
295V95.2Very high95Very high2 Ų225.2 Ų25.21%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-80.2114.9170.3-173.60000107.9L62 N64 F68 F121 F283 E289 M293L62-V295 WeakPolarHBondContact O-CA 3.21Å; N64-V295 HydrophobicContact CB-CG1 4.38Å; F68-V295 HydrophobicContact CE2-CG1 4.34Å; F68-V295 HydrophobicContact CZ-CG1 4.39Å; F68-V295 WeakPolarHBondContact CZ-O 3.43Å; F121-V295 HydrophobicContact CB-CG1 4.11Å; F121-V295 HydrophobicContact CB-CG2 4.23Å; F121-V295 HydrophobicContact CD2-CG2 4.31Å; F121-V295 HydrophobicContact CG-CG2 4.2Å; F283-V295 WeakPolarHBondContact CB-O 3.13Å; E289-V295 PolarHBondContact OE1-N 2.65Å; M293-V295 HydrophobicContact CE-CG2 4.4Å; M293-V295 PolarHBondContact O-N 3.02Å
296V94.2Very high95Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-119.9159.4-172.7-57.50000111.7I61 L62 P63 N64 F68 F283 M294 N298 V301 A302 L305I61-V296 HydrophobicContact CG2-CG1 3.96Å; I61-V296 HydrophobicContact CG2-CG2 3.72Å; L62-V296 PolarHBondContact O-N 3.24Å; P63-V296 CarbonylContact C-O 3.56Å; P63-V296 WeakPolarHBondContact CA-O 2.85Å; P63-V296 HydrophobicContact CB-CG2 4.41Å; P63-V296 HydrophobicContact CG-CG2 4.24Å; N64-V296 PolarHBondContact N-O 2.83Å; F68-V296 WeakPolarHBondContact CE2-O 3.39Å; F283-V296 HydrophobicContact CB-CG1 4.07Å; F283-V296 HydrophobicContact CD1-CG1 3.83Å; F283-V296 HydrophobicContact CG-CG1 4.14Å; M294-V296 HydrophobicContact CB-CG1 4.13Å; M294-V296 PolarHBondContact O-N 2.65Å; V296-N298 WeakPolarHBondContact CG2-O 3.26Å; V296-N298 PolarHBondContact O-N 2.96Å; V296-V301 HydrophobicContact CB-CB 4.5Å; V296-V301 HydrophobicContact CB-CG1 3.97Å; V296-V301 HydrophobicContact CG1-CG1 4.29Å; V296-A302 HydrophobicContact CG2-CB 3.98Å; V296-L305 HydrophobicContact CG1-CD1 3.78Å
297V90.9Very high95Very high21 Ų2130 Ų3013%0.12717%0.167CC..SBendtrans-58.7-45.5-174.5174.90000112.4N64 N65 F68 L274 S282N64-V297 CarbonylContact C-O 3.09Å; N64-V297 VanDerWaalsContact O-O 3.08Å; N65-V297 WeakPolarHBondContact CA-O 3.35Å; N65-V297 PolarHBondContact N-O 3.39Å; N65-V297 PolarHBondContact OD1-O 3.12Å; F68-V297 HydrophobicContact CB-CG2 4.08Å; F68-V297 HydrophobicContact CD1-CG2 3.87Å; F68-V297 HydrophobicContact CD2-CB 4.12Å; F68-V297 HydrophobicContact CD2-CG2 3.68Å; F68-V297 HydrophobicContact CE1-CG2 4.21Å; F68-V297 HydrophobicContact CE2-CB 4.43Å; F68-V297 HydrophobicContact CE2-CG2 4.05Å; F68-V297 HydrophobicContact CG-CB 4.46Å; F68-V297 HydrophobicContact CG-CG2 3.58Å; F68-V297 HydrophobicContact CZ-CG2 4.29Å; L274-V297 HydrophobicContact CB-CG2 4.08Å; S282-V297 WeakPolarHBondContact O-CG2 3.47Å
298N90.6Very high94.9Very high43 Ų4335.4 Ų35.423%0.2320%0.196CC..  trans-158.6178.8-175.361.424000112.2N65 V296 D300 V301 A302N65-N298 WeakPolarHBondContact OD1-CA 3.48Å; N65-N298 WeakPolarHBondContact OD1-CB 3.48Å; V296-N298 WeakPolarHBondContact CG2-O 3.26Å; V296-N298 PolarHBondContact O-N 2.96Å; N298-D300 PolarHBondContact OD1-N 2.67Å; N298-V301 PolarHBondContact O-N 2.78Å; N298-V301 WeakPolarHBondContact OD1-CG2 3.37Å; N298-V301 PolarHBondContact OD1-N 2.68Å; N298-A302 PolarHBondContact O-N 2.86Å; N298-A302 VanDerWaalsContact O-N 3.14Å
299E91.7Very high94.8Very high105 Ų10537 Ų3749%0.49120%0.202SC..Hα-helixtrans-66-34.5180-72174-124.200113P63 V301 A302 C303P63-E299 HydrophobicContact CB-CG 3.96Å; P63-E299 HydrophobicContact CG-CG 3.83Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 3.07Å; E299-A302 CarbonylContact O-C 3.58Å; E299-A302 WeakPolarHBondContact O-CB 3.09Å; E299-A302 PolarHBondContact O-N 3.29Å; E299-A302 VanDerWaalsContact O-N 3.13Å; E299-C303 PolarHBondContact O-N 2.86Å; E299-C303 PolarHBondContact O-SG 3.47Å; E299-C303 VanDerWaalsContact O-SG 3.34Å
300D91.4Very high94.7Very high121 Ų12136.3 Ų36.365%0.64720%0.199SC*.Hα-helixtrans-59.3-46.5176.9-63.8-33000110.7N298 A302 C303 T304N298-D300 PolarHBondContact OD1-N 2.67Å; D300-A302 VanDerWaalsContact C-N 3.35Å; D300-A302 PolarHBondContact O-N 3.06Å; D300-C303 WeakPolarHBondContact O-CB 3.45Å; D300-C303 PolarHBondContact O-N 3.24Å; D300-T304 WeakPolarHBondContact O-CG2 3.46Å; D300-T304 PolarHBondContact O-N 2.99Å
301V91.2Very high94.6Very high22 Ų2236.8 Ų36.813%0.13320%0.201CC..Hα-helixtrans-62.6-44.3175.5174.40000110.2S282 V296 N298 E299 C303 T304 L305S282-V301 WeakPolarHBondContact OG-CG1 3.12Å; S282-V301 WeakPolarHBondContact OG-CG2 3.09Å; V296-V301 HydrophobicContact CB-CB 4.5Å; V296-V301 HydrophobicContact CB-CG1 3.97Å; V296-V301 HydrophobicContact CG1-CG1 4.29Å; N298-V301 PolarHBondContact O-N 2.78Å; N298-V301 WeakPolarHBondContact OD1-CG2 3.37Å; N298-V301 PolarHBondContact OD1-N 2.68Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 3.07Å; V301-C303 VanDerWaalsContact C-N 3.26Å; V301-C303 PolarHBondContact O-N 2.93Å; V301-T304 PolarHBondContact O-N 3.28Å; V301-T304 VanDerWaalsContact O-N 3.07Å; V301-T304 PolarHBondContact O-OG1 2.95Å; V301-L305 PolarHBondContact O-N 2.63Å
302A93.2Very high94.5Very high3 Ų340.3 Ų40.33%0.02523%0.226CC..Hα-helixtrans-59.2-36.7176.800000112.8K50 I61 P63 V296 N298 E299 D300 T304 L305K50-A302 WeakPolarHBondContact CD-O 3.5Å; K50-A302 PolarHBondContact NZ-O 2.91Å; I61-A302 HydrophobicContact CG2-CB 3.52Å; P63-A302 HydrophobicContact CG-CB 3.82Å; V296-A302 HydrophobicContact CG2-CB 3.98Å; N298-A302 PolarHBondContact O-N 2.86Å; N298-A302 VanDerWaalsContact O-N 3.14Å; E299-A302 CarbonylContact O-C 3.58Å; E299-A302 WeakPolarHBondContact O-CB 3.09Å; E299-A302 PolarHBondContact O-N 3.29Å; E299-A302 VanDerWaalsContact O-N 3.13Å; D300-A302 VanDerWaalsContact C-N 3.35Å; D300-A302 PolarHBondContact O-N 3.06Å; A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 3.22Å; A302-L305 PolarHBondContact O-N 3.2Å
303C92.6Very high94.4Very high97 Ų9741.4 Ų41.466%0.65523%0.231SC*.Hα-helixtrans-62.7-36.9175.4-75.50000112K50 E299 D300 V301 L305K50-C303 PolarHBondContact NZ-O 3.32Å; E299-C303 PolarHBondContact O-N 2.86Å; E299-C303 PolarHBondContact O-SG 3.47Å; E299-C303 VanDerWaalsContact O-SG 3.34Å; D300-C303 WeakPolarHBondContact O-CB 3.45Å; D300-C303 PolarHBondContact O-N 3.24Å; V301-C303 VanDerWaalsContact C-N 3.26Å; V301-C303 PolarHBondContact O-N 2.93Å; C303-L305 VanDerWaalsContact C-N 3.28Å; C303-L305 PolarHBondContact O-N 3.15Å
304T92.4Very high94.4Very high75 Ų7541.4 Ų41.446%0.4623%0.231SC..Hα-helixtrans-72.4-16.1178.675.90000114.9D300 V301 A302D300-T304 WeakPolarHBondContact O-CG2 3.46Å; D300-T304 PolarHBondContact O-N 2.99Å; V301-T304 PolarHBondContact O-N 3.28Å; V301-T304 VanDerWaalsContact O-N 3.07Å; V301-T304 PolarHBondContact O-OG1 2.95Å; A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 3.22Å
305L94.6Very high94.4Very high1 Ų146.8 Ų46.81%0.00525%0.252CS..  trans-89.1132.2-176.2-64.6178.7000111.7K50 I61 P281 F283 V296 V301 A302 C303 K309 V310 I313K50-L305 PolarHBondContact NZ-O 3.38Å; I61-L305 HydrophobicContact CD1-CB 3.67Å; I61-L305 HydrophobicContact CD1-CD1 4.28Å; I61-L305 HydrophobicContact CG1-CD1 4.48Å; I61-L305 HydrophobicContact CG2-CD1 4.34Å; P281-L305 HydrophobicContact CB-CD2 4.38Å; F283-L305 HydrophobicContact CD1-CD1 4.15Å; F283-L305 HydrophobicContact CE1-CD1 3.75Å; F283-L305 HydrophobicContact CE1-CD2 4.08Å; V296-L305 HydrophobicContact CG1-CD1 3.78Å; V301-L305 PolarHBondContact O-N 2.63Å; A302-L305 PolarHBondContact O-N 3.2Å; C303-L305 VanDerWaalsContact C-N 3.28Å; C303-L305 PolarHBondContact O-N 3.15Å; L305-K309 HydrophobicContact CD2-CD 4.13Å; L305-K309 HydrophobicContact CD2-CG 4.18Å; L305-V310 HydrophobicContact CB-CG2 4.19Å; L305-V310 HydrophobicContact CD1-CG2 4.38Å; L305-V310 HydrophobicContact CD2-CG2 4.34Å; L305-I313 HydrophobicContact CD2-CD1 4.2Å
306N95.4Very high94.4Very high85 Ų8550.5 Ų50.546%0.45528%0.278SS..  trans-127.8175.3168.266.730.4000109.5D308 K309 V310N306-D308 PolarHBondContact O-N 3.34Å; N306-D308 PolarHBondContact OD1-N 2.88Å; N306-K309 PolarHBondContact O-N 3.46Å; N306-K309 VanDerWaalsContact OD1-CB 3.27Å; N306-K309 WeakPolarHBondContact OD1-CB 3.22Å; N306-K309 PolarHBondContact OD1-N 2.73Å; N306-V310 WeakPolarHBondContact O-CG2 3.31Å; N306-V310 PolarHBondContact O-N 2.95Å
307F96.9Very high94.5Very high31 Ų3151.7 Ų51.714%0.13628%0.283CS..Hα-helixtrans-58.9-47.8-174-170.8-88.6000112.3S54 V57 I59 K309 V310 E311S54-F307 VanDerWaalsContact CB-CD1 3.41Å; S54-F307 VanDerWaalsContact CB-CZ 3.49Å; V57-F307 HydrophobicContact CB-CE2 4.05Å; V57-F307 HydrophobicContact CB-CZ 4.15Å; V57-F307 HydrophobicContact CG1-CE2 3.82Å; V57-F307 HydrophobicContact CG1-CZ 4.03Å; I59-F307 HydrophobicContact CD1-CD2 3.9Å; I59-F307 HydrophobicContact CD1-CE2 3.74Å; I59-F307 HydrophobicContact CG1-CE2 4.28Å; F307-K309 PolarHBondContact O-N 3.22Å; F307-V310 PolarHBondContact O-N 3.24Å; F307-E311 HydrophobicContact CD1-CG 3.76Å; F307-E311 HydrophobicContact CE1-CG 3.38Å; F307-E311 HydrophobicContact CZ-CG 3.94Å; F307-E311 WeakPolarHBondContact O-CB 3.42Å; F307-E311 WeakPolarHBondContact O-CG 3.3Å; F307-E311 PolarHBondContact O-N 2.63Å
308D96.3Very high94.9Very high117 Ų11756.1 Ų56.163%0.62630%0.298SS*.Hα-helixtrans-66.2-37.9-177.2-63.7-32.2000112.6N306 E311 S312N306-D308 PolarHBondContact O-N 3.34Å; N306-D308 PolarHBondContact OD1-N 2.88Å; D308-E311 PolarHBondContact O-N 3.19Å; D308-S312 WeakPolarHBondContact O-CB 3.4Å; D308-S312 PolarHBondContact O-N 3.05Å
309K95.5Very high95.2Very high39 Ų3955 Ų5517%0.1729%0.292CS..Hα-helixtrans-65.3-45.6175.8-174.6165.5176.8176.80111.1E280 L305 N306 F307 S312 I313E280-K309 VanDerWaalsContact CD-NZ 3.29Å; E280-K309 IonicContact OE1-NZ 3.02Å; E280-K309 PolarHBondContact OE1-NZ 2.91Å; E280-K309 IonicContact OE2-NZ 3.54Å; L305-K309 HydrophobicContact CD2-CD 4.13Å; L305-K309 HydrophobicContact CD2-CG 4.18Å; N306-K309 PolarHBondContact O-N 3.46Å; N306-K309 VanDerWaalsContact OD1-CB 3.27Å; N306-K309 WeakPolarHBondContact OD1-CB 3.22Å; N306-K309 PolarHBondContact OD1-N 2.73Å; F307-K309 PolarHBondContact O-N 3.22Å; K309-S312 WeakPolarHBondContact O-CB 3.41Å; K309-S312 PolarHBondContact O-N 3.42Å; K309-I313 HydrophobicContact CG-CD1 4.14Å; K309-I313 WeakPolarHBondContact O-CD1 3.45Å; K309-I313 VanDerWaalsContact O-CG1 3.26Å; K309-I313 WeakPolarHBondContact O-CG1 3.48Å; K309-I313 PolarHBondContact O-N 2.98Å
310V96.7Very high95.5Very high0 Ų053.3 Ų53.30%029%0.29CS..Hα-helixtrans-62.7-45.5175.5174.10000110.9I52 I59 M294 L305 N306 F307 S312 I313 L314I52-V310 HydrophobicContact CD1-CB 4.37Å; I52-V310 HydrophobicContact CD1-CG2 3.83Å; I59-V310 HydrophobicContact CD1-CB 4.36Å; I59-V310 HydrophobicContact CD1-CG1 3.83Å; I59-V310 HydrophobicContact CG2-CG1 4.32Å; M294-V310 HydrophobicContact CE-CG1 3.87Å; M294-V310 HydrophobicContact CG-CG1 4.06Å; M294-V310 HydrophobicContact CG-CG2 4.27Å; M294-V310 HydrophobicContact SD-CG1 3.77Å; L305-V310 HydrophobicContact CB-CG2 4.19Å; L305-V310 HydrophobicContact CD1-CG2 4.38Å; L305-V310 HydrophobicContact CD2-CG2 4.34Å; N306-V310 WeakPolarHBondContact O-CG2 3.31Å; N306-V310 PolarHBondContact O-N 2.95Å; F307-V310 PolarHBondContact O-N 3.24Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.4Å; V310-I313 PolarHBondContact O-N 3.09Å; V310-L314 HydrophobicContact CG1-CD1 4.02Å; V310-L314 HydrophobicContact CG1-CG 4.2Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.29Å
311E96.9Very high95.8Very high9 Ų953.7 Ų53.74%0.04228%0.282CS..Hα-helixtrans-57.2-42.4175.5-82.8-71.5121.500112.7R188 F307 D308 L314 R315R188-E311 IonicContact CZ-OE1 3.3Å; R188-E311 VanDerWaalsContact CZ-OE1 3.25Å; R188-E311 IonicContact NH1-OE1 2.69Å; R188-E311 PolarHBondContact NH1-OE1 2.84Å; R188-E311 IonicContact NH2-OE1 3.75Å; R188-E311 PolarHBondContact NH2-OE1 2.76Å; R188-E311 IonicContact NH2-OE2 3.14Å; F307-E311 HydrophobicContact CD1-CG 3.76Å; F307-E311 HydrophobicContact CE1-CG 3.38Å; F307-E311 HydrophobicContact CZ-CG 3.94Å; F307-E311 WeakPolarHBondContact O-CB 3.42Å; F307-E311 WeakPolarHBondContact O-CG 3.3Å; F307-E311 PolarHBondContact O-N 2.63Å; D308-E311 PolarHBondContact O-N 3.19Å; E311-L314 PolarHBondContact O-N 3.21Å; E311-R315 VanDerWaalsContact O-CG 3.27Å; E311-R315 WeakPolarHBondContact O-CG 3.18Å; E311-R315 PolarHBondContact O-N 2.74Å; E311-R315 IonicContact OE2-CZ 3.73Å; E311-R315 IonicContact OE2-NE 2.65Å; E311-R315 IonicContact OE2-NH2 2.73Å; E311-R315 PolarHBondContact OE2-NH2 3.33Å
312S96.5Very high96.1Very high74 Ų7456.8 Ų56.852%0.51731%0.305SS..Hα-helixtrans-61.1-46.1176.4-170.10000111.8D308 K309 V310 R315 S316D308-S312 WeakPolarHBondContact O-CB 3.4Å; D308-S312 PolarHBondContact O-N 3.05Å; K309-S312 WeakPolarHBondContact O-CB 3.41Å; K309-S312 PolarHBondContact O-N 3.42Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.4Å; S312-R315 PolarHBondContact O-N 3.23Å; S312-S316 PolarHBondContact O-N 3.22Å
313I95.9Very high96.3Very high25 Ų2558.9 Ų58.913%0.12832%0.318CS..Hα-helixtrans-62.5-44176.5-63.8158.5000110.9P281 F283 V285 L305 K309 V310 R315 S316P281-I313 HydrophobicContact CB-CD1 3.89Å; P281-I313 HydrophobicContact CG-CD1 3.35Å; P281-I313 HydrophobicContact CG-CG1 3.82Å; F283-I313 HydrophobicContact CE1-CD1 3.81Å; F283-I313 HydrophobicContact CE2-CG2 4.15Å; F283-I313 HydrophobicContact CZ-CB 4.39Å; F283-I313 HydrophobicContact CZ-CD1 3.82Å; F283-I313 HydrophobicContact CZ-CG2 3.85Å; V285-I313 HydrophobicContact CG2-CG2 3.67Å; L305-I313 HydrophobicContact CD2-CD1 4.2Å; K309-I313 HydrophobicContact CG-CD1 4.14Å; K309-I313 WeakPolarHBondContact O-CD1 3.45Å; K309-I313 VanDerWaalsContact O-CG1 3.26Å; K309-I313 WeakPolarHBondContact O-CG1 3.48Å; K309-I313 PolarHBondContact O-N 2.98Å; V310-I313 PolarHBondContact O-N 3.09Å; I313-R315 VanDerWaalsContact C-N 3.3Å; I313-R315 PolarHBondContact O-N 3.26Å; I313-S316 PolarHBondContact O-N 3.07Å; I313-S316 PolarHBondContact O-OG 3.3Å
314L97.3Very high96.6Very high0 Ų054.3 Ų54.30%029%0.287CS..Hα-helixtrans-63.9-38.4177.8-66.1177.9000111.2P210 V211 V285 L290 M294 V310 E311 S316 E317P210-L314 HydrophobicContact CB-CB 3.86Å; P210-L314 HydrophobicContact CG-CB 3.39Å; P210-L314 HydrophobicContact CG-CD1 3.62Å; P210-L314 HydrophobicContact CG-CG 4.15Å; V211-L314 HydrophobicContact CG2-CB 4.42Å; V211-L314 WeakPolarHBondContact CG2-O 3.46Å; V285-L314 HydrophobicContact CG1-CD2 3.45Å; V285-L314 VanDerWaalsContact CG1-CD2 3.45Å; V285-L314 HydrophobicContact CG2-CD2 4.42Å; L290-L314 HydrophobicContact CD2-CD2 4.44Å; M294-L314 HydrophobicContact CE-CD1 4.4Å; M294-L314 HydrophobicContact CE-CD2 4.41Å; V310-L314 HydrophobicContact CG1-CD1 4.02Å; V310-L314 HydrophobicContact CG1-CG 4.2Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.29Å; E311-L314 PolarHBondContact O-N 3.21Å; L314-S316 PolarHBondContact O-N 3.49Å; L314-E317 WeakPolarHBondContact O-CB 3.27Å; L314-E317 PolarHBondContact O-N 2.8Å; L314-E317 VanDerWaalsContact O-N 3.09Å
315R97.2Very high96.8Very high112 Ų11254 Ų5442%0.42328%0.282SS..Hα-helixtrans-63.4-26.9177.7-73.8174.7-160.2125.35.8113.3P210 E311 S312 I313 E317 R318P210-R315 HydrophobicContact CB-CG 3.56Å; E311-R315 VanDerWaalsContact O-CG 3.27Å; E311-R315 WeakPolarHBondContact O-CG 3.18Å; E311-R315 PolarHBondContact O-N 2.74Å; E311-R315 IonicContact OE2-CZ 3.73Å; E311-R315 IonicContact OE2-NE 2.65Å; E311-R315 IonicContact OE2-NH2 2.73Å; E311-R315 PolarHBondContact OE2-NH2 3.33Å; S312-R315 PolarHBondContact O-N 3.23Å; I313-R315 VanDerWaalsContact C-N 3.3Å; I313-R315 PolarHBondContact O-N 3.26Å; R315-E317 PolarHBondContact O-N 2.92Å; R315-R318 WeakPolarHBondContact O-CB 3.31Å; R315-R318 WeakPolarHBondContact O-CG 3.48Å; R315-R318 PolarHBondContact O-N 3.4Å
316S95.5Very high97Very high81 Ų8156.3 Ų56.357%0.56630%0.301SS*.THydrogen-bonded Turntrans-68-12.417661.30000113.4S312 I313 L314 R318S312-S316 PolarHBondContact O-N 3.22Å; I313-S316 PolarHBondContact O-N 3.07Å; I313-S316 PolarHBondContact O-OG 3.3Å; L314-S316 PolarHBondContact O-N 3.49Å; S316-R318 VanDerWaalsContact C-N 3.34Å
317E97Very high97.1Very high24 Ų2452.3 Ų52.311%0.11228%0.28CS..THydrogen-bonded Turntrans-84.4-7.6175.5-52.8-50.3147.700114V211 R265 C266 V285 L314 R315 L319V211-E317 HydrophobicContact CG2-CB 4.17Å; R265-E317 WeakPolarHBondContact CA-O 3.44Å; R265-E317 HydrophobicContact CB-CB 4.47Å; R265-E317 WeakPolarHBondContact CB-O 3.35Å; R265-E317 IonicContact CZ-OE2 3.54Å; R265-E317 IonicContact NE-OE2 2.78Å; R265-E317 PolarHBondContact NE-OE2 3.21Å; R265-E317 IonicContact NH2-OE2 3.87Å; R265-E317 PolarHBondContact NH2-OE2 3.47Å; C266-E317 PolarHBondContact N-O 3.19Å; V285-E317 HydrophobicContact CB-CG 3.72Å; V285-E317 HydrophobicContact CG1-CG 3.61Å; V285-E317 HydrophobicContact CG2-CG 4.06Å; L314-E317 WeakPolarHBondContact O-CB 3.27Å; L314-E317 PolarHBondContact O-N 2.8Å; L314-E317 VanDerWaalsContact O-N 3.09Å; R315-E317 PolarHBondContact O-N 2.92Å; E317-L319 PolarHBondContact O-N 3.26Å
318R97.8Very high97.1Very high114 Ų11451.5 Ų51.543%0.4328%0.277SS..PPolyproline II helixtrans-63.2135.4179.9-75.5-176.9172.9177.6-0.1111.6P210 C266 R315 S316P210-R318 WeakPolarHBondContact O-CD 3.21Å; P210-R318 VanDerWaalsContact O-CG 3.28Å; P210-R318 WeakPolarHBondContact O-CG 3.34Å; P210-R318 PolarHBondContact O-NE 2.84Å; P210-R318 PolarHBondContact O-NH2 3.46Å; C266-R318 PolarHBondContact SG-O 3.08Å; R315-R318 WeakPolarHBondContact O-CB 3.31Å; R315-R318 WeakPolarHBondContact O-CG 3.48Å; R315-R318 PolarHBondContact O-N 3.4Å; S316-R318 VanDerWaalsContact C-N 3.34Å
319L98.1Very high97.1Very high20 Ų2050 Ų5011%0.10527%0.274CS..PPolyproline II helixtrans-66.7152.5165.7-74173.5000111.2I243 P264 R265 E317 T323 I324I243-L319 HydrophobicContact CD1-CD1 4.22Å; I243-L319 HydrophobicContact CG1-CD1 4.37Å; I243-L319 HydrophobicContact CG2-CD1 3.46Å; I243-L319 VanDerWaalsContact CG2-CD1 3.46Å; P264-L319 HydrophobicContact CB-CD1 3.77Å; R265-L319 WeakPolarHBondContact O-CD2 3.5Å; E317-L319 PolarHBondContact O-N 3.26Å; L319-T323 HydrophobicContact CB-CG2 4.49Å; L319-T323 HydrophobicContact CD1-CG2 3.97Å; L319-T323 HydrophobicContact CD2-CG2 4.12Å; L319-T323 HydrophobicContact CG-CG2 4.43Å; L319-I324 HydrophobicContact CB-CD1 3.86Å; L319-I324 HydrophobicContact CB-CG1 3.76Å; L319-I324 HydrophobicContact CD1-CD1 3.76Å; L319-I324 HydrophobicContact CD1-CG1 4.44Å; L319-I324 HydrophobicContact CG-CD1 4.34Å
320P97.7Very high97.2Very high69 Ų6950.7 Ų50.745%0.44828%0.277SS..PPolyproline II helixtrans-53.8142.9165.3-23.433.8000110.9S322 T323 I324P320-S322 PolarHBondContact O-N 3.37Å; P320-S322 VanDerWaalsContact O-N 3.16Å; P320-T323 WeakPolarHBondContact O-CB 3.38Å; P320-T323 PolarHBondContact O-N 3.28Å; P320-I324 PolarHBondContact O-N 3.04Å; P320-I324 VanDerWaalsContact O-N 3.11Å
321R97.1Very high97.2Very high129 Ų12950.8 Ų50.849%0.48728%0.278SS..Hα-helixtrans-59.4-32.1-176.6-17563.7-158.9166.710.1112.9D212 T323 I324 N325 E328D212-R321 IonicContact OD1-NH1 3.75Å; R321-T323 VanDerWaalsContact C-N 3.35Å; R321-T323 PolarHBondContact O-N 2.7Å; R321-I324 VanDerWaalsContact NH1-CG2 3.29Å; R321-I324 PolarHBondContact O-N 2.98Å; R321-N325 PolarHBondContact NE-OD1 3.27Å; R321-N325 PolarHBondContact NH2-OD1 2.82Å; R321-N325 WeakPolarHBondContact O-CB 3.13Å; R321-N325 PolarHBondContact O-N 2.56Å; R321-N325 PolarHBondContact O-OD1 3.43Å; R321-E328 IonicContact CZ-OE1 2.99Å; R321-E328 IonicContact CZ-OE2 2.95Å; R321-E328 IonicContact NH1-OE1 2.63Å; R321-E328 PolarHBondContact NH1-OE1 3.34Å; R321-E328 VanDerWaalsContact NH2-CD 3.27Å; R321-E328 IonicContact NH2-OE1 3.99Å; R321-E328 PolarHBondContact NH2-OE1 2.89Å; R321-E328 IonicContact NH2-OE2 3.25Å; R321-E328 PolarHBondContact NH2-OE2 2.74Å
322S97.9Very high97.1Very high87 Ų8753.5 Ų53.561%0.60829%0.29SS*.Hα-helixtrans-60.6-41.5173.649.90000112.6P320 N325 A326P320-S322 PolarHBondContact O-N 3.37Å; P320-S322 VanDerWaalsContact O-N 3.16Å; S322-N325 PolarHBondContact O-N 3.44Å; S322-A326 PolarHBondContact O-N 3.28Å
323T98.2Very high97Very high48 Ų4855.8 Ų55.829%0.29429%0.292SS..Hα-helixtrans-68.6-41.6176.9-52.60000111.5I243 L319 P320 R321 A326 L327I243-T323 HydrophobicContact CD1-CG2 3.81Å; I243-T323 HydrophobicContact CG1-CG2 4.1Å; L319-T323 HydrophobicContact CB-CG2 4.49Å; L319-T323 HydrophobicContact CD1-CG2 3.97Å; L319-T323 HydrophobicContact CD2-CG2 4.12Å; L319-T323 HydrophobicContact CG-CG2 4.43Å; P320-T323 WeakPolarHBondContact O-CB 3.38Å; P320-T323 PolarHBondContact O-N 3.28Å; R321-T323 VanDerWaalsContact C-N 3.35Å; R321-T323 PolarHBondContact O-N 2.7Å; T323-A326 PolarHBondContact O-N 3.05Å; T323-L327 PolarHBondContact O-N 3.03Å
324I97.9Very high96.8Very high1 Ų156.2 Ų56.21%0.00530%0.296CS..Hα-helixtrans-61.5-47.9173.5-68-67.5000110.5D212 P264 L319 P320 R321 A326 L327 E328D212-I324 HydrophobicContact CB-CD1 3.71Å; D212-I324 HydrophobicContact CB-CG1 4.34Å; P264-I324 HydrophobicContact CB-CD1 4.31Å; L319-I324 HydrophobicContact CB-CD1 3.86Å; L319-I324 HydrophobicContact CB-CG1 3.76Å; L319-I324 HydrophobicContact CD1-CD1 3.76Å; L319-I324 HydrophobicContact CD1-CG1 4.44Å; L319-I324 HydrophobicContact CG-CD1 4.34Å; P320-I324 PolarHBondContact O-N 3.04Å; P320-I324 VanDerWaalsContact O-N 3.11Å; R321-I324 VanDerWaalsContact NH1-CG2 3.29Å; R321-I324 PolarHBondContact O-N 2.98Å; I324-A326 VanDerWaalsContact C-N 3.28Å; I324-A326 PolarHBondContact O-N 2.87Å; I324-L327 WeakPolarHBondContact O-CB 3.26Å; I324-L327 PolarHBondContact O-N 2.78Å; I324-L327 VanDerWaalsContact O-N 3.08Å; I324-E328 HydrophobicContact CG2-CG 4.05Å; I324-E328 VanDerWaalsContact CG2-OE1 3.3Å; I324-E328 WeakPolarHBondContact CG2-OE1 3.22Å; I324-E328 WeakPolarHBondContact O-CG 3.37Å; I324-E328 PolarHBondContact O-N 3.48Å
325N97.5Very high96.5Very high68 Ų6856.6 Ų56.636%0.36430%0.298SS..Hα-helixtrans-56.1-42.4176.7-72-10.9000111.9R321 S322 E328 C329R321-N325 PolarHBondContact NE-OD1 3.27Å; R321-N325 PolarHBondContact NH2-OD1 2.82Å; R321-N325 WeakPolarHBondContact O-CB 3.13Å; R321-N325 PolarHBondContact O-N 2.56Å; R321-N325 PolarHBondContact O-OD1 3.43Å; S322-N325 PolarHBondContact O-N 3.44Å; N325-E328 PolarHBondContact O-N 3.38Å; N325-C329 PolarHBondContact O-N 2.88Å; N325-C329 PolarHBondContact O-SG 3.45Å
326A98.3Very high96.1Very high50 Ų5054.6 Ų54.641%0.41330%0.301SS..Hα-helixtrans-63.3-41.1177.100000112.4S322 T323 I324 K330S322-A326 PolarHBondContact O-N 3.28Å; T323-A326 PolarHBondContact O-N 3.05Å; I324-A326 VanDerWaalsContact C-N 3.28Å; I324-A326 PolarHBondContact O-N 2.87Å; A326-K330 PolarHBondContact O-N 2.88Å; A326-K330 VanDerWaalsContact O-N 3.11Å
327L98.4Very high95.7Very high0 Ų055.9 Ų55.90%030%0.3CS..Hα-helixtrans-62.4-46.3173.7174.162.4000111.7F214 L241 I243 P264 T323 I324 K330 V331F214-L327 HydrophobicContact CE2-CD2 4Å; F214-L327 HydrophobicContact CZ-CD2 4.45Å; L241-L327 HydrophobicContact CD1-CB 4.06Å; L241-L327 HydrophobicContact CD1-CD1 4.18Å; I243-L327 HydrophobicContact CD1-CB 3.97Å; I243-L327 HydrophobicContact CD1-CD1 4.41Å; I243-L327 HydrophobicContact CD1-CD2 4.26Å; I243-L327 HydrophobicContact CD1-CG 4.45Å; P264-L327 HydrophobicContact CB-CD2 3.61Å; P264-L327 HydrophobicContact CG-CD2 3.33Å; T323-L327 PolarHBondContact O-N 3.03Å; I324-L327 WeakPolarHBondContact O-CB 3.26Å; I324-L327 PolarHBondContact O-N 2.78Å; I324-L327 VanDerWaalsContact O-N 3.08Å; L327-K330 PolarHBondContact O-N 3.21Å; L327-V331 HydrophobicContact CD1-CG2 4.15Å; L327-V331 WeakPolarHBondContact O-CG2 2.99Å; L327-V331 PolarHBondContact O-N 2.89Å
328E96.6Very high95Very high15 Ų1557.3 Ų57.37%0.0731%0.307CS..Hα-helixtrans-58.7-50.1178.1-66.8173.5164.100111.1Y198 F214 R321 I324 N325 K330 V331 F332Y198-E328 HydrophobicContact CE1-CG 4.45Å; Y198-E328 WeakPolarHBondContact OH-CG 3.26Å; Y198-E328 PolarHBondContact OH-OE1 3.3Å; F214-E328 HydrophobicContact CZ-CG 4.33Å; R321-E328 IonicContact CZ-OE1 2.99Å; R321-E328 IonicContact CZ-OE2 2.95Å; R321-E328 IonicContact NH1-OE1 2.63Å; R321-E328 PolarHBondContact NH1-OE1 3.34Å; R321-E328 VanDerWaalsContact NH2-CD 3.27Å; R321-E328 IonicContact NH2-OE1 3.99Å; R321-E328 PolarHBondContact NH2-OE1 2.89Å; R321-E328 IonicContact NH2-OE2 3.25Å; R321-E328 PolarHBondContact NH2-OE2 2.74Å; I324-E328 HydrophobicContact CG2-CG 4.05Å; I324-E328 VanDerWaalsContact CG2-OE1 3.3Å; I324-E328 WeakPolarHBondContact CG2-OE1 3.22Å; I324-E328 WeakPolarHBondContact O-CG 3.37Å; I324-E328 PolarHBondContact O-N 3.48Å; N325-E328 PolarHBondContact O-N 3.38Å; E328-K330 VanDerWaalsContact C-N 3.3Å; E328-K330 PolarHBondContact O-N 3.36Å; E328-V331 PolarHBondContact O-N 3.31Å; E328-F332 HydrophobicContact CB-CD2 4.48Å; E328-F332 HydrophobicContact CB-CE2 4.28Å; E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.49Å
329C96.2Very high94.2Very high86 Ų8655.4 Ų55.458%0.58130%0.303SS*.Hα-helixtrans-54.2-47176-71.90000111.8N325 V331 F332 E333N325-C329 PolarHBondContact O-N 2.88Å; N325-C329 PolarHBondContact O-SG 3.45Å; C329-V331 PolarHBondContact O-N 3.39Å; C329-F332 PolarHBondContact O-N 2.64Å; C329-E333 WeakPolarHBondContact O-CB 3.37Å; C329-E333 PolarHBondContact O-N 3.06Å
330K97Very high93.3Very high53 Ų5356.7 Ų56.723%0.2332%0.316CS..Hα-helixtrans-64.6-40.4179.8-173.7176.4171.499.20112.7D240 L241 A326 L327 E328 T334D240-K330 HydrophobicContact CB-CD 4.27Å; D240-K330 WeakPolarHBondContact OD2-CE 3.38Å; D240-K330 IonicContact OD2-NZ 3.2Å; D240-K330 PolarHBondContact OD2-NZ 2.72Å; L241-K330 HydrophobicContact CD1-CB 4.29Å; L241-K330 HydrophobicContact CD1-CD 3.98Å; L241-K330 HydrophobicContact CD2-CD 4.22Å; L241-K330 HydrophobicContact CG-CD 3.85Å; A326-K330 PolarHBondContact O-N 2.88Å; A326-K330 VanDerWaalsContact O-N 3.11Å; L327-K330 PolarHBondContact O-N 3.21Å; E328-K330 VanDerWaalsContact C-N 3.3Å; E328-K330 PolarHBondContact O-N 3.36Å; K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 PolarHBondContact O-N 3.19Å; K330-T334 PolarHBondContact O-OG1 2.86Å
331V96.5Very high92.3Very high1 Ų156.1 Ų56.11%0.00631%0.314CS..Hα-helixtrans-61-45.2176165.20000110.7Y203 I233 V234 L327 E328 C329 L335Y203-V331 HydrophobicContact CD2-CG1 4.13Å; Y203-V331 HydrophobicContact CE2-CG1 3.3Å; I233-V331 HydrophobicContact CG2-CB 4.43Å; I233-V331 HydrophobicContact CG2-CG1 4.14Å; I233-V331 HydrophobicContact CG2-CG2 4.48Å; V234-V331 HydrophobicContact CG2-CG1 4.28Å; V234-V331 HydrophobicContact CG2-CG2 4.24Å; L327-V331 HydrophobicContact CD1-CG2 4.15Å; L327-V331 WeakPolarHBondContact O-CG2 2.99Å; L327-V331 PolarHBondContact O-N 2.89Å; E328-V331 PolarHBondContact O-N 3.31Å; C329-V331 PolarHBondContact O-N 3.39Å; V331-L335 HydrophobicContact CG1-CD1 4.37Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.39Å
332F94.5Very high91Very high67 Ų6755 Ų5529%0.29432%0.315SS..Hα-helixtrans-69.6-40.2179.2-70.8-58.5000113.6Y198 E328 C329 T334 L335 S336Y198-F332 HydrophobicContact CD1-CE2 4.48Å; Y198-F332 HydrophobicContact CD1-CZ 4.22Å; Y198-F332 HydrophobicContact CD2-CE1 4.19Å; Y198-F332 HydrophobicContact CD2-CE2 4.14Å; Y198-F332 AromaticContact CD2-CZ 3.33Å; Y198-F332 HydrophobicContact CD2-CZ 3.33Å; Y198-F332 HydrophobicContact CE2-CE2 4.11Å; Y198-F332 AromaticContact CE2-CZ 3.68Å; Y198-F332 HydrophobicContact CE2-CZ 3.68Å; Y198-F332 HydrophobicContact CG-CE2 4.3Å; Y198-F332 AromaticContact CG-CZ 3.61Å; Y198-F332 HydrophobicContact CG-CZ 3.61Å; E328-F332 HydrophobicContact CB-CD2 4.48Å; E328-F332 HydrophobicContact CB-CE2 4.28Å; E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.49Å; C329-F332 PolarHBondContact O-N 2.64Å; F332-T334 VanDerWaalsContact C-N 3.35Å; F332-L335 HydrophobicContact CD1-CD1 4.4Å; F332-L335 PolarHBondContact O-N 3.22Å; F332-S336 WeakPolarHBondContact O-CB 3.27Å; F332-S336 PolarHBondContact O-N 3.34Å; F332-S336 PolarHBondContact O-OG 2.85Å
333E94Very high89.4Confident122 Ų12257.2 Ų57.257%0.5732%0.315SS*.Hα-helixtrans-58.4-48.3173.6-176.8179.9-168.800110.8C329 L335 S336 I337C329-E333 WeakPolarHBondContact O-CB 3.37Å; C329-E333 PolarHBondContact O-N 3.06Å; E333-L335 PolarHBondContact O-N 3.31Å; E333-S336 PolarHBondContact O-N 3.35Å; E333-I337 HydrophobicContact CG-CD1 4.09Å; E333-I337 WeakPolarHBondContact O-CG1 3.39Å; E333-I337 PolarHBondContact O-N 2.81Å
334T93.3Very high87Confident34 Ų3461.1 Ų61.121%0.20933%0.33CS..Hα-helixtrans-63.6-40.9179.6-53.70000112I233 K330 F332 Q338I233-T334 HydrophobicContact CB-CG2 4.45Å; I233-T334 HydrophobicContact CD1-CG2 4.47Å; I233-T334 HydrophobicContact CG1-CG2 3.98Å; I233-T334 HydrophobicContact CG2-CG2 3.84Å; K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 PolarHBondContact O-N 3.19Å; K330-T334 PolarHBondContact O-OG1 2.86Å; F332-T334 VanDerWaalsContact C-N 3.35Å; T334-Q338 WeakPolarHBondContact O-CG 3.41Å; T334-Q338 PolarHBondContact O-N 3.04Å
335L90.8Very high84.9Confident8 Ų866.7 Ų66.74%0.04236%0.358CS..Hα-helixtrans-60-45.6174.2-84.7173.7000111.9F202 Y203 Y230 I233 V331 F332 E333 I337 Q338 Q339F202-L335 HydrophobicContact CD2-CD2 4.43Å; Y203-L335 HydrophobicContact CD2-CD1 4.36Å; Y203-L335 HydrophobicContact CE2-CD1 3.45Å; Y203-L335 VanDerWaalsContact CE2-CD1 3.45Å; Y203-L335 HydrophobicContact CE2-CG 4.38Å; Y230-L335 HydrophobicContact CD1-CD2 3.53Å; Y230-L335 HydrophobicContact CE1-CD2 3.53Å; Y230-L335 HydrophobicContact CG-CD2 4.41Å; I233-L335 HydrophobicContact CD1-CD2 3.44Å; I233-L335 VanDerWaalsContact CD1-CD2 3.44Å; I233-L335 HydrophobicContact CD1-CG 3.91Å; V331-L335 HydrophobicContact CG1-CD1 4.37Å; V331-L335 WeakPolarHBondContact O-CG 3.48Å; V331-L335 PolarHBondContact O-N 3.39Å; F332-L335 HydrophobicContact CD1-CD1 4.4Å; F332-L335 PolarHBondContact O-N 3.22Å; E333-L335 PolarHBondContact O-N 3.31Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 3.31Å; L335-Q338 PolarHBondContact O-N 3.44Å; L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.32Å
336S88.2Confident82.8Confident69 Ų6969.5 Ų69.548%0.48337%0.373SS..Hα-helixtrans-63.8-41.2-176.8-55.90000111.3F332 E333 Q338 Q339 A340F332-S336 WeakPolarHBondContact O-CB 3.27Å; F332-S336 PolarHBondContact O-N 3.34Å; F332-S336 PolarHBondContact O-OG 2.85Å; E333-S336 PolarHBondContact O-N 3.35Å; S336-Q338 VanDerWaalsContact C-N 3.35Å; S336-Q338 PolarHBondContact O-N 2.87Å; S336-Q339 PolarHBondContact O-N 3.43Å; S336-A340 WeakPolarHBondContact O-CB 3.16Å; S336-A340 PolarHBondContact O-N 3.22Å
337I85.8Confident80.4Confident108 Ų10873.9 Ų73.955%0.55439%0.389SS*.Hα-helixtrans-62.1-41.9175.5-67.2165.4000111.2E333 L335 S341E333-I337 HydrophobicContact CG-CD1 4.09Å; E333-I337 WeakPolarHBondContact O-CG1 3.39Å; E333-I337 PolarHBondContact O-N 2.81Å; L335-I337 VanDerWaalsContact C-N 3.34Å; L335-I337 PolarHBondContact O-N 3.31Å; I337-S341 PolarHBondContact O-N 2.84Å; I337-S341 VanDerWaalsContact O-N 3.11Å; I337-S341 PolarHBondContact O-OG 3.3Å
338Q83.2Confident77.9Confident54 Ų5485.2 Ų85.225%0.25244%0.439SS..Hα-helixtrans-71.5-34.9179.7-71.9-174.12.500113.4N229 I233 T334 L335 S336 S341 Q342N229-Q338 PolarHBondContact ND2-OE1 2.82Å; I233-Q338 VanDerWaalsContact CD1-OE1 3.27Å; T334-Q338 WeakPolarHBondContact O-CG 3.41Å; T334-Q338 PolarHBondContact O-N 3.04Å; L335-Q338 PolarHBondContact O-N 3.44Å; S336-Q338 VanDerWaalsContact C-N 3.35Å; S336-Q338 PolarHBondContact O-N 2.87Å; Q338-S341 PolarHBondContact O-OG 3.38Å; Q338-Q342 WeakPolarHBondContact O-CB 3.37Å; Q338-Q342 PolarHBondContact O-N 3.48Å
339Q81.7Confident77Confident75 Ų7588.7 Ų88.735%0.3546%0.457SS..Hα-helixtrans-68-43.6175.3-71.3178.1-54.600111.1L335 S336 S341 Q342 E343L335-Q339 WeakPolarHBondContact O-CG 3.49Å; L335-Q339 PolarHBondContact O-N 3.32Å; S336-Q339 PolarHBondContact O-N 3.43Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 3.32Å; Q339-Q342 PolarHBondContact O-N 3.13Å; Q339-E343 PolarHBondContact O-N 3.14Å
340A79.2Confident76Confident46 Ų4688.8 Ų88.838%0.3845%0.451SS..Hα-helixtrans-61.9-38.8176.900000112.8S336 Q342 Q344S336-A340 WeakPolarHBondContact O-CB 3.16Å; S336-A340 PolarHBondContact O-N 3.22Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; A340-Q344 WeakPolarHBondContact O-CG 3.26Å; A340-Q344 PolarHBondContact O-N 3.36Å; A340-Q344 VanDerWaalsContact O-N 3.12Å
341S75.9Confident74.8Confident57 Ų5790.8 Ų90.840%0.39946%0.463SS..Hα-helixtrans-69.2-33.3176.667.20000112.5I337 Q338 Q339 Q344 I345I337-S341 PolarHBondContact O-N 2.84Å; I337-S341 VanDerWaalsContact O-N 3.11Å; I337-S341 PolarHBondContact O-OG 3.3Å; Q338-S341 PolarHBondContact O-OG 3.38Å; Q339-S341 VanDerWaalsContact C-N 3.34Å; Q339-S341 PolarHBondContact O-N 3.32Å; S341-Q344 PolarHBondContact O-N 3.45Å; S341-I345 WeakPolarHBondContact O-CG1 3.49Å; S341-I345 PolarHBondContact O-N 3.07Å; S341-I345 VanDerWaalsContact O-N 3.17Å
342Q70.6Confident73.6Confident107 Ų10796.1 Ų96.150%0.549%0.49SS..Hα-helixtrans-72.9-35.5177.4-160.1161.920.600112.3Q338 Q339 A340 I345 N346Q338-Q342 WeakPolarHBondContact O-CB 3.37Å; Q338-Q342 PolarHBondContact O-N 3.48Å; Q339-Q342 PolarHBondContact O-N 3.13Å; A340-Q342 VanDerWaalsContact C-N 3.34Å; Q342-I345 PolarHBondContact O-N 2.76Å; Q342-N346 PolarHBondContact O-N 2.95Å; Q342-N346 PolarHBondContact O-ND2 2.65Å
343E63.5Low72.3Confident133 Ų13397.9 Ų97.962%0.62150%0.502SS*.Hα-helixtrans-66-39.7172.1-73.1176.7-179.700112.3Q339 I345 N346 L347Q339-E343 PolarHBondContact O-N 3.14Å; E343-I345 VanDerWaalsContact C-N 3.35Å; E343-I345 PolarHBondContact O-N 3.45Å; E343-N346 PolarHBondContact O-N 3.45Å; E343-L347 PolarHBondContact O-N 3.34Å
344Q47.5Very low70.8Confident130 Ų13096.3 Ų96.361%0.60750%0.498SS*.Hα-helixtrans-63.5-38.8174.9-76.5-178.9-0.800112.6A340 S341 N346 L347 F348A340-Q344 WeakPolarHBondContact O-CG 3.26Å; A340-Q344 PolarHBondContact O-N 3.36Å; A340-Q344 VanDerWaalsContact O-N 3.12Å; S341-Q344 PolarHBondContact O-N 3.45Å; Q344-N346 VanDerWaalsContact C-N 3.32Å; Q344-N346 PolarHBondContact O-N 3.32Å; Q344-L347 PolarHBondContact O-N 3.26Å; Q344-F348 WeakPolarHBondContact O-CD2 3.38Å
345I54.5Low69.2Low117 Ų117100.8 Ų100.860%0.652%0.518SS*.Hα-helixtrans-66.2-34.6177.7-69.4165.4000111.6S341 Q342 E343 L347S341-I345 WeakPolarHBondContact O-CG1 3.49Å; S341-I345 PolarHBondContact O-N 3.07Å; S341-I345 VanDerWaalsContact O-N 3.17Å; Q342-I345 PolarHBondContact O-N 2.76Å; E343-I345 VanDerWaalsContact C-N 3.35Å; E343-I345 PolarHBondContact O-N 3.45Å; I345-L347 VanDerWaalsContact C-N 3.27Å; I345-L347 PolarHBondContact O-N 3.41Å
346N53.7Low67.5Low127 Ų127107.9 Ų107.968%0.67956%0.555SS**THydrogen-bonded Turntrans-78.5-8.5179.9-67.1-27.8000114Q342 E343 Q344Q342-N346 PolarHBondContact O-N 2.95Å; Q342-N346 PolarHBondContact O-ND2 2.65Å; E343-N346 PolarHBondContact O-N 3.45Å; Q344-N346 VanDerWaalsContact C-N 3.32Å; Q344-N346 PolarHBondContact O-N 3.32Å
347L48.2Very low65.8Low143 Ų143111.2 Ų111.275%0.74956%0.561SS**THydrogen-bonded Turntrans-89.8-8.4176.3-78.2162.1000113.1E343 Q344 I345E343-L347 PolarHBondContact O-N 3.34Å; Q344-L347 PolarHBondContact O-N 3.26Å; I345-L347 VanDerWaalsContact C-N 3.27Å; I345-L347 PolarHBondContact O-N 3.41Å
348F46Very low64Low237 Ų237111.5 Ų111.5100%1.03956%0.562SS**  trans-113.20174.1-64-73.1000110.4Q344Q344-F348 WeakPolarHBondContact O-CD2 3.38Å

Retrieved 348 of 348 residues in 924.1 ms (Link to these results)

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