A0A096LZM1_POEFO Loading...

Aldehyde dehydrogenase 1 family member L2

AlphaFold DB , UniProt , Accession A0A096LZM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M87.7Confident97.5Very high103 Ų10348.5 Ų48.551%0.50723%0.233SC..  0127.50-176.1172.863.500108.5I31 I87 L185M1-I31 HydrophobicContact CE-CG2 4.3Å; M1-I87 HydrophobicContact CG-CD1 4.34Å; M1-I87 HydrophobicContact SD-CD1 3.97Å; M1-I87 HydrophobicContact SD-CG1 3.89Å; M1-I87 HydrophobicContact SD-CG2 3.91Å; M1-L185 HydrophobicContact CE-CD1 3.51Å; M1-L185 HydrophobicContact CE-CD2 3.89Å; M1-L185 HydrophobicContact CE-CG 4.19Å; M1-L185 HydrophobicContact SD-CB 4.04Å; M1-L185 HydrophobicContact SD-CD1 3.94Å; M1-L185 HydrophobicContact SD-CD2 4.3Å; M1-L185 HydrophobicContact SD-CG 4.32Å
2P97.1Very high97.5Very high18 Ų1849.6 Ų49.612%0.11724%0.237CC..  trans-67.8142.4178.3-1326.9000111.7F11 L188 E192P2-F11 HydrophobicContact CB-CD1 3.72Å; P2-F11 HydrophobicContact CB-CD2 4.22Å; P2-F11 HydrophobicContact CB-CE1 3.31Å; P2-F11 HydrophobicContact CB-CE2 3.86Å; P2-F11 HydrophobicContact CB-CG 4.16Å; P2-F11 HydrophobicContact CB-CZ 3.39Å; P2-F11 HydrophobicContact CG-CE1 4.05Å; P2-F11 HydrophobicContact CG-CE2 3.89Å; P2-F11 HydrophobicContact CG-CZ 3.59Å; P2-L188 HydrophobicContact CB-CB 4.25Å; P2-E192 HydrophobicContact CG-CB 4.12Å
3Y98.3Very high97.6Very high112 Ų11253 Ų5344%0.43926%0.258SS..  trans-133.83.3-178.159-98.5000113.3K33 V34 S35Y3-K33 WeakPolarHBondContact CB-O 3.28Å; Y3-V34 CarbonylContact O-C 3.58Å; Y3-V34 VanDerWaalsContact O-CA 3.3Å; Y3-V34 WeakPolarHBondContact O-CA 3.23Å; Y3-V34 WeakPolarHBondContact O-CG1 3.25Å; Y3-S35 PolarHBondContact O-N 3.21Å
4Q98.8Very high97.6Very high41 Ų4149.5 Ų49.519%0.19224%0.242CC..SBendtrans-98.2169.6-174.2-69.9177.7-68.500111.7F11 E12 D13 S35 L188Q4-F11 HydrophobicContact CB-CB 4.04Å; Q4-F11 HydrophobicContact CB-CD1 4.34Å; Q4-E12 WeakPolarHBondContact CB-O 3.37Å; Q4-D13 PolarHBondContact NE2-OD1 3.32Å; Q4-S35 WeakPolarHBondContact CA-OG 3.26Å; Q4-L188 WeakPolarHBondContact O-CD2 3.4Å
5C98.8Very high97.5Very high0 Ų054.4 Ų54.40%026%0.264CS..EExtended strand (participates in β ladder)trans-62.9144.7167.2-62.60000109.2I7 F11 E12 L207C5-I7 HydrophobicContact CB-CD1 4.35Å; C5-I7 HydrophobicContact CB-CG1 4.41Å; C5-F11 CarbonylContact O-C 3.58Å; C5-F11 VanDerWaalsContact O-CA 3.31Å; C5-F11 WeakPolarHBondContact O-CA 3.31Å; C5-E12 WeakPolarHBondContact CB-O 3.14Å; C5-E12 PolarHBondContact N-O 3.23Å; C5-E12 PolarHBondContact O-N 2.68Å; C5-L207 HydrophobicContact CB-CD2 4.14Å
6F98.9Very high97.2Very high3 Ų355.3 Ų55.31%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-109.3108.2174.4-176.9-106.7000110G9 K10 F11 A191 V195 I204 N205 I206F6-G9 VanDerWaalsContact CE2-C 3.45Å; F6-G9 VanDerWaalsContact CZ-CA 3.49Å; F6-K10 CarbonylContact C-O 3.48Å; F6-K10 VanDerWaalsContact CA-O 3.32Å; F6-K10 WeakPolarHBondContact CA-O 3.46Å; F6-K10 WeakPolarHBondContact CD2-O 3.23Å; F6-F11 HydrophobicContact CB-CD1 4.16Å; F6-F11 HydrophobicContact CB-CE1 3.91Å; F6-F11 HydrophobicContact CD2-CD1 4.05Å; F6-F11 HydrophobicContact CD2-CD2 4.16Å; F6-F11 AromaticContact CD2-CE1 3.81Å; F6-F11 HydrophobicContact CD2-CE1 3.81Å; F6-F11 AromaticContact CD2-CE2 3.94Å; F6-F11 HydrophobicContact CD2-CE2 3.94Å; F6-F11 HydrophobicContact CD2-CG 4.22Å; F6-F11 AromaticContact CD2-CZ 3.75Å; F6-F11 HydrophobicContact CD2-CZ 3.75Å; F6-F11 HydrophobicContact CE2-CE2 4.21Å; F6-F11 HydrophobicContact CE2-CZ 4.32Å; F6-F11 HydrophobicContact CG-CE1 4.24Å; F6-F11 HydrophobicContact CG-CZ 4.44Å; F6-A191 HydrophobicContact CB-CB 3.89Å; F6-A191 HydrophobicContact CD1-CB 3.47Å; F6-A191 VanDerWaalsContact CD1-CB 3.47Å; F6-A191 HydrophobicContact CD2-CB 3.79Å; F6-A191 HydrophobicContact CE1-CB 3.8Å; F6-A191 HydrophobicContact CE2-CB 4.1Å; F6-A191 HydrophobicContact CG-CB 3.44Å; F6-A191 VanDerWaalsContact CG-CB 3.44Å; F6-A191 HydrophobicContact CZ-CB 4.09Å; F6-V195 HydrophobicContact CE2-CG2 3.71Å; F6-V195 HydrophobicContact CZ-CG2 3.53Å; F6-I204 WeakPolarHBondContact CD1-O 3.19Å; F6-I204 HydrophobicContact CE1-CG2 4.37Å; F6-I204 WeakPolarHBondContact CE1-O 3.19Å; F6-N205 CarbonylContact O-C 3.57Å; F6-N205 VanDerWaalsContact O-CA 3.24Å; F6-N205 WeakPolarHBondContact O-CA 3.42Å; F6-I206 HydrophobicContact CB-CB 4.15Å; F6-I206 HydrophobicContact CD1-CG1 4.49Å; F6-I206 PolarHBondContact N-O 3.01Å; F6-I206 PolarHBondContact O-N 3.32Å
7I98.9Very high97.2Very high8 Ų855.4 Ų55.44%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-133.2133-175.6-59.1176.9000108.3C5 G9 K10 D41 R44 A45 A48 L207C5-I7 HydrophobicContact CB-CD1 4.35Å; C5-I7 HydrophobicContact CB-CG1 4.41Å; I7-G9 PolarHBondContact O-N 3.4Å; I7-G9 VanDerWaalsContact O-N 3.13Å; I7-K10 PolarHBondContact N-O 3.15Å; I7-K10 PolarHBondContact O-N 2.78Å; I7-D41 HydrophobicContact CD1-CB 4.32Å; I7-R44 HydrophobicContact CD1-CB 4.42Å; I7-R44 HydrophobicContact CG2-CB 4.47Å; I7-A45 HydrophobicContact CD1-CB 4.44Å; I7-A45 HydrophobicContact CG1-CB 4.23Å; I7-A48 HydrophobicContact CG2-CB 4.39Å; I7-L207 HydrophobicContact CD1-CD2 3.86Å; I7-L207 HydrophobicContact CG1-CD2 3.89Å
8D98.5Very high97.2Very high69 Ų6959.3 Ų59.337%0.36930%0.304SS..THydrogen-bonded Turntrans51.838.9176.3-164.838.7000114.3K10 A48 K201 G202 N205D8-K10 VanDerWaalsContact C-N 3.32Å; D8-K10 PolarHBondContact O-N 3.27Å; D8-A48 HydrophobicContact CB-CB 3.94Å; D8-K201 WeakPolarHBondContact OD1-CB 3.29Å; D8-G202 PolarHBondContact OD1-N 2.81Å; D8-N205 PolarHBondContact N-OD1 3.18Å
9G98.3Very high97.3Very high17 Ų1759.3 Ų59.318%0.17531%0.309CS..THydrogen-bonded Turntrans75.714.5179.100000115.1F6 I7F6-G9 VanDerWaalsContact CE2-C 3.45Å; F6-G9 VanDerWaalsContact CZ-CA 3.49Å; I7-G9 PolarHBondContact O-N 3.4Å; I7-G9 VanDerWaalsContact O-N 3.13Å
10K98.5Very high97.4Very high107 Ų10757.7 Ų57.747%0.46530%0.299SS..EExtended strand (participates in β ladder)trans-130.6151179.1-61.4179.6-171.6169.70111.7F6 I7 D8 E12F6-K10 CarbonylContact C-O 3.48Å; F6-K10 VanDerWaalsContact CA-O 3.32Å; F6-K10 WeakPolarHBondContact CA-O 3.46Å; F6-K10 WeakPolarHBondContact CD2-O 3.23Å; I7-K10 PolarHBondContact N-O 3.15Å; I7-K10 PolarHBondContact O-N 2.78Å; D8-K10 VanDerWaalsContact C-N 3.32Å; D8-K10 PolarHBondContact O-N 3.27Å; K10-E12 HydrophobicContact CB-CG 4.25Å
11F98.8Very high97.4Very high55 Ų5558.5 Ų58.524%0.24130%0.304CS..EExtended strand (participates in β ladder)trans-88.9123.5168.1-72.6-73.7000109.4P2 Q4 C5 F6 L188 A191 E192P2-F11 HydrophobicContact CB-CD1 3.72Å; P2-F11 HydrophobicContact CB-CD2 4.22Å; P2-F11 HydrophobicContact CB-CE1 3.31Å; P2-F11 HydrophobicContact CB-CE2 3.86Å; P2-F11 HydrophobicContact CB-CG 4.16Å; P2-F11 HydrophobicContact CB-CZ 3.39Å; P2-F11 HydrophobicContact CG-CE1 4.05Å; P2-F11 HydrophobicContact CG-CE2 3.89Å; P2-F11 HydrophobicContact CG-CZ 3.59Å; Q4-F11 HydrophobicContact CB-CB 4.04Å; Q4-F11 HydrophobicContact CB-CD1 4.34Å; C5-F11 CarbonylContact O-C 3.58Å; C5-F11 VanDerWaalsContact O-CA 3.31Å; C5-F11 WeakPolarHBondContact O-CA 3.31Å; F6-F11 HydrophobicContact CB-CD1 4.16Å; F6-F11 HydrophobicContact CB-CE1 3.91Å; F6-F11 HydrophobicContact CD2-CD1 4.05Å; F6-F11 HydrophobicContact CD2-CD2 4.16Å; F6-F11 AromaticContact CD2-CE1 3.81Å; F6-F11 HydrophobicContact CD2-CE1 3.81Å; F6-F11 AromaticContact CD2-CE2 3.94Å; F6-F11 HydrophobicContact CD2-CE2 3.94Å; F6-F11 HydrophobicContact CD2-CG 4.22Å; F6-F11 AromaticContact CD2-CZ 3.75Å; F6-F11 HydrophobicContact CD2-CZ 3.75Å; F6-F11 HydrophobicContact CE2-CE2 4.21Å; F6-F11 HydrophobicContact CE2-CZ 4.32Å; F6-F11 HydrophobicContact CG-CE1 4.24Å; F6-F11 HydrophobicContact CG-CZ 4.44Å; F11-L188 HydrophobicContact CE1-CB 4.42Å; F11-L188 HydrophobicContact CE1-CD2 4.36Å; F11-L188 WeakPolarHBondContact CZ-O 3.44Å; F11-A191 HydrophobicContact CE1-CB 4.23Å; F11-A191 HydrophobicContact CZ-CB 3.88Å; F11-E192 HydrophobicContact CE2-CB 4.13Å; F11-E192 HydrophobicContact CZ-CB 4.23Å
12E98Very high98Very high62 Ų6253.7 Ų53.729%0.2928%0.28SS..EExtended strand (participates in β ladder)trans-139.8146-177.4-58.9-174.2174.100110.4Q4 C5 K10 R44Q4-E12 WeakPolarHBondContact CB-O 3.37Å; C5-E12 WeakPolarHBondContact CB-O 3.14Å; C5-E12 PolarHBondContact N-O 3.23Å; C5-E12 PolarHBondContact O-N 2.68Å; K10-E12 HydrophobicContact CB-CG 4.25Å; E12-R44 IonicContact OE2-CZ 3.9Å; E12-R44 IonicContact OE2-NH1 2.89Å; E12-R44 PolarHBondContact OE2-NH1 2.89Å
13D98.4Very high98Very high94 Ų9455.6 Ų55.650%0.50329%0.289SS..  trans-60.7155.2172.8-66.4-32.6000111Q4Q4-D13 PolarHBondContact NE2-OD1 3.32Å
14A97.3Very high98.1Very high4 Ų451.3 Ų51.33%0.03327%0.274CS..  trans-57.2143.416800000109.6N16 G17 Y36A14-N16 PolarHBondContact O-N 2.99Å; A14-N16 VanDerWaalsContact O-N 3.07Å; A14-G17 WeakPolarHBondContact O-CA 3.17Å; A14-G17 PolarHBondContact O-N 3.28Å; A14-Y36 VanDerWaalsContact CB-O 3.25Å; A14-Y36 WeakPolarHBondContact CB-O 3.42Å
15E95.5Very high98.1Very high123 Ų12349.4 Ų49.458%0.57527%0.265SS*.THydrogen-bonded Turntrans-53.6-37.2-173177.5-81.5163.700113G17 A40 D41E15-G17 VanDerWaalsContact C-N 3.34Å; E15-A40 HydrophobicContact CB-CB 4.41Å; E15-A40 HydrophobicContact CG-CB 4.28Å; E15-D41 VanDerWaalsContact CB-OD1 3.3Å; E15-D41 WeakPolarHBondContact CB-OD1 3.48Å; E15-D41 PolarHBondContact N-OD1 3.07Å; E15-D41 PolarHBondContact N-OD2 3.39Å
16N94.1Very high98.1Very high69 Ų6950.2 Ų50.237%0.36927%0.27SS..THydrogen-bonded Turntrans-91.3918064.316.6000114.1A14 K18A14-N16 PolarHBondContact O-N 2.99Å; A14-N16 VanDerWaalsContact O-N 3.07Å; N16-K18 PolarHBondContact O-N 3.47Å; N16-K18 VanDerWaalsContact O-N 3.17Å; N16-K18 WeakPolarHBondContact OD1-CB 3.47Å; N16-K18 VanDerWaalsContact OD1-CG 3.27Å; N16-K18 WeakPolarHBondContact OD1-CG 3.18Å; N16-K18 PolarHBondContact OD1-N 2.95Å
17G96.6Very high98.1Very high57 Ų5754 Ų5459%0.58829%0.29SS*.  trans686.1-178.900000115.5A14 E15A14-G17 WeakPolarHBondContact O-CA 3.17Å; A14-G17 PolarHBondContact O-N 3.28Å; E15-G17 VanDerWaalsContact C-N 3.34Å
18K98.1Very high98.1Very high126 Ų12655.2 Ų55.255%0.54831%0.305SS..  trans-69.9144.6-178.1-70.3-175.6-177.8-177.30111.6N16 Y36N16-K18 PolarHBondContact O-N 3.47Å; N16-K18 VanDerWaalsContact O-N 3.17Å; N16-K18 WeakPolarHBondContact OD1-CB 3.47Å; N16-K18 VanDerWaalsContact OD1-CG 3.27Å; N16-K18 WeakPolarHBondContact OD1-CG 3.18Å; N16-K18 PolarHBondContact OD1-N 2.95Å; K18-Y36 PolarHBondContact O-N 2.94Å
19S98.5Very high98.1Very high59 Ų5954.3 Ų54.341%0.41330%0.304SS..EExtended strand (participates in β ladder)trans-139.3165.8172.752.50000110.8V34S19-V34 CarbonylContact C-O 3.56Å; S19-V34 WeakPolarHBondContact CA-O 3.41Å; S19-V34 VanDerWaalsContact CB-O 3.23Å; S19-V34 WeakPolarHBondContact CB-O 3.29Å
20Y98.6Very high98.1Very high26 Ų2657 Ų5710%0.10232%0.316CS..EExtended strand (participates in β ladder)trans-141159.5174.569.9-76.7000110K33 V34 S35 Y36 Q181 P208Y20-K33 CarbonylContact O-C 3.5Å; Y20-K33 WeakPolarHBondContact O-CA 3.32Å; Y20-V34 HydrophobicContact CD1-CB 4.33Å; Y20-V34 VanDerWaalsContact CD1-O 3.29Å; Y20-V34 WeakPolarHBondContact CD1-O 3.33Å; Y20-V34 HydrophobicContact CE1-CB 3.82Å; Y20-V34 HydrophobicContact CE1-CG1 3.84Å; Y20-V34 HydrophobicContact CE2-CB 4.5Å; Y20-V34 PolarHBondContact N-O 3.1Å; Y20-V34 PolarHBondContact O-N 2.79Å; Y20-S35 WeakPolarHBondContact CE1-O 3.37Å; Y20-Y36 AromaticContact CD1-CD2 3.55Å; Y20-Y36 HydrophobicContact CD1-CD2 3.55Å; Y20-Y36 HydrophobicContact CD1-CG 4.23Å; Y20-Y36 HydrophobicContact CE1-CD2 4.23Å; Y20-Y36 HydrophobicContact CG-CD2 4.02Å; Y20-Q181 HydrophobicContact CD2-CG 3.99Å; Y20-Q181 HydrophobicContact CE1-CG 4.45Å; Y20-Q181 HydrophobicContact CE2-CG 3.56Å; Y20-Q181 WeakPolarHBondContact CE2-O 3.31Å; Y20-Q181 PolarHBondContact OH-O 2.82Å; Y20-Q181 VanDerWaalsContact OH-O 3.04Å; Y20-P208 HydrophobicContact CE1-CB 4.31Å
21D98.7Very high98.1Very high76 Ų7654.2 Ų54.241%0.40631%0.306SS..EExtended strand (participates in β ladder)trans-85.1130.4179.4-61.8-22000109.9I23 V30 K33D21-I23 HydrophobicContact CB-CD1 4.07Å; D21-V30 HydrophobicContact CB-CB 4.5Å; D21-V30 HydrophobicContact CB-CG1 3.77Å; D21-V30 HydrophobicContact CB-CG2 3.98Å; D21-K33 WeakPolarHBondContact OD1-CG 3.23Å
22T98.7Very high98.1Very high2 Ų253.1 Ų53.11%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-92.3143.3160.1-177.60000109.3I31 C32 V34 D91 L185T22-I31 HydrophobicContact CG2-CB 4.03Å; T22-I31 HydrophobicContact CG2-CD1 4.15Å; T22-I31 PolarHBondContact O-N 2.66Å; T22-C32 PolarHBondContact N-O 3.29Å; T22-C32 VanDerWaalsContact N-O 3.13Å; T22-V34 HydrophobicContact CG2-CG2 3.89Å; T22-D91 PolarHBondContact OG1-OD1 2.81Å; T22-L185 HydrophobicContact CG2-CD1 3.99Å; T22-L185 HydrophobicContact CG2-CD2 4.17Å; T22-L185 HydrophobicContact CG2-CG 4.15Å
23I98.9Very high98.1Very high57 Ų5756.3 Ų56.329%0.29232%0.318SS..EExtended strand (participates in β ladder)trans-118133.4-164.9-54.5-58.4000109.6D21 P25 S29 V30 F365D21-I23 HydrophobicContact CB-CD1 4.07Å; I23-P25 WeakPolarHBondContact O-CD 3.45Å; I23-S29 CarbonylContact C-O 3.57Å; I23-S29 WeakPolarHBondContact CA-O 3.42Å; I23-V30 HydrophobicContact CD1-CB 4.44Å; I23-V30 HydrophobicContact CD1-CG2 3.77Å; I23-F365 HydrophobicContact CG2-CE2 3.99Å; I23-F365 HydrophobicContact CG2-CZ 4.1Å
24N98.9Very high98.1Very high23 Ų2351.8 Ų51.812%0.12329%0.294CS..  trans-75.6117171-179-9.7000109.1T26 G28 S29 I31 I90N24-T26 PolarHBondContact O-N 2.62Å; N24-T26 WeakPolarHBondContact OD1-CB 3.28Å; N24-T26 PolarHBondContact OD1-N 2.98Å; N24-T26 PolarHBondContact OD1-OG1 3.08Å; N24-T26 VanDerWaalsContact OD1-OG1 3.05Å; N24-G28 VanDerWaalsContact O-CA 3.29Å; N24-G28 WeakPolarHBondContact O-CA 3.3Å; N24-G28 PolarHBondContact O-N 2.69Å; N24-S29 PolarHBondContact N-O 2.64Å; N24-I31 HydrophobicContact CB-CD1 4.24Å; N24-I31 HydrophobicContact CB-CG1 3.79Å; N24-I90 HydrophobicContact CB-CG2 4.49Å; N24-I90 PolarHBondContact OD1-O 3.01Å
25P98.9Very high98.2Very high0 Ų051.9 Ų51.90%029%0.294CS..THydrogen-bonded Turntrans-69.3-14.7-178.726.4-32000114.2I23 D27 I90 P329 Q330 N331 G364 F365I23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-D27 VanDerWaalsContact C-N 3.35Å; P25-I90 VanDerWaalsContact CD-O 3.26Å; P25-I90 WeakPolarHBondContact CD-O 3.49Å; P25-P329 HydrophobicContact CB-CB 4.13Å; P25-P329 HydrophobicContact CB-CG 3.92Å; P25-P329 HydrophobicContact CG-CG 4Å; P25-P329 WeakPolarHBondContact O-CB 3.45Å; P25-Q330 WeakPolarHBondContact CB-O 3.48Å; P25-N331 WeakPolarHBondContact CB-O 3.19Å; P25-G364 CarbonylContact O-C 3.54Å; P25-G364 WeakPolarHBondContact O-CA 3.41Å; P25-F365 HydrophobicContact CB-CD2 3.71Å; P25-F365 HydrophobicContact CB-CE2 4.31Å; P25-F365 PolarHBondContact O-N 3.5Å
26T98.9Very high98.4Very high18 Ų1848.9 Ų48.911%0.1128%0.278CS..THydrogen-bonded Turntrans-71.9-29.6-177.6-52.60000112.5N24 D319 P320 P363 G364 F366N24-T26 PolarHBondContact O-N 2.62Å; N24-T26 WeakPolarHBondContact OD1-CB 3.28Å; N24-T26 PolarHBondContact OD1-N 2.98Å; N24-T26 PolarHBondContact OD1-OG1 3.08Å; N24-T26 VanDerWaalsContact OD1-OG1 3.05Å; T26-D319 HydrophobicContact CG2-CB 4.41Å; T26-P320 WeakPolarHBondContact OG1-CD 3.45Å; T26-P363 CarbonylContact O-C 3.55Å; T26-G364 WeakPolarHBondContact O-CA 3.28Å; T26-F366 HydrophobicContact CG2-CE2 4.39Å; T26-F366 HydrophobicContact CG2-CZ 4.19Å
27D98.6Very high98.6Very high81 Ų8145.6 Ų45.643%0.43326%0.261SS..THydrogen-bonded Turntrans-139.5-10-176.561.311000114P25 S29P25-D27 VanDerWaalsContact C-N 3.35Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 VanDerWaalsContact CG-OG 3.26Å; D27-S29 VanDerWaalsContact OD1-CB 3.24Å; D27-S29 WeakPolarHBondContact OD1-CB 3.15Å; D27-S29 PolarHBondContact OD1-N 3.09Å; D27-S29 PolarHBondContact OD1-OG 3.22Å; D27-S29 PolarHBondContact OD2-OG 3.38Å
28G98.4Very high98.7Very high34 Ų3443.4 Ų43.435%0.35124%0.236SC..  trans80.88.5-177.400000114.3N24N24-G28 VanDerWaalsContact O-CA 3.29Å; N24-G28 WeakPolarHBondContact O-CA 3.3Å; N24-G28 PolarHBondContact O-N 2.69Å
29S98.8Very high98.7Very high50 Ų5040.6 Ų40.635%0.3523%0.23SC..  trans-74.9154.7178.466.90000112.4I23 N24 D27I23-S29 CarbonylContact C-O 3.57Å; I23-S29 WeakPolarHBondContact CA-O 3.42Å; N24-S29 PolarHBondContact N-O 2.64Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 VanDerWaalsContact CG-OG 3.26Å; D27-S29 VanDerWaalsContact OD1-CB 3.24Å; D27-S29 WeakPolarHBondContact OD1-CB 3.15Å; D27-S29 PolarHBondContact OD1-N 3.09Å; D27-S29 PolarHBondContact OD1-OG 3.22Å; D27-S29 PolarHBondContact OD2-OG 3.38Å
30V98.8Very high98.7Very high73 Ų7339.8 Ų39.844%0.44223%0.226SC..EExtended strand (participates in β ladder)trans-75124171.3175.90000109D21 I23D21-V30 HydrophobicContact CB-CB 4.5Å; D21-V30 HydrophobicContact CB-CG1 3.77Å; D21-V30 HydrophobicContact CB-CG2 3.98Å; I23-V30 HydrophobicContact CD1-CB 4.44Å; I23-V30 HydrophobicContact CD1-CG2 3.77Å
31I98.8Very high98.7Very high49 Ų4938.5 Ų38.525%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-74.3-56.7174.5-54.6158.2000109.2M1 T22 N24 I90 D91 L185M1-I31 HydrophobicContact CE-CG2 4.3Å; T22-I31 HydrophobicContact CG2-CB 4.03Å; T22-I31 HydrophobicContact CG2-CD1 4.15Å; T22-I31 PolarHBondContact O-N 2.66Å; N24-I31 HydrophobicContact CB-CD1 4.24Å; N24-I31 HydrophobicContact CB-CG1 3.79Å; I31-I90 HydrophobicContact CD1-CG2 3.79Å; I31-I90 HydrophobicContact CG1-CG2 3.85Å; I31-I90 HydrophobicContact CG2-CG2 4.24Å; I31-D91 HydrophobicContact CD1-CB 4.42Å; I31-L185 HydrophobicContact CD1-CD1 4.14Å; I31-L185 HydrophobicContact CG2-CD1 3.91Å
32C98.7Very high98.7Very high32 Ų3234.9 Ų34.922%0.21620%0.202CC..EExtended strand (participates in β ladder)trans-165.8171.3176.663.90000111.6T22T22-C32 PolarHBondContact N-O 3.29Å; T22-C32 VanDerWaalsContact N-O 3.13Å
33K98.6Very high98.7Very high129 Ų12937.3 Ų37.356%0.56122%0.215SC*.EExtended strand (participates in β ladder)trans-83.5133.3168.2-64.8-161.3172.1-156.10110.9Y3 Y20 D21Y3-K33 WeakPolarHBondContact CB-O 3.28Å; Y20-K33 CarbonylContact O-C 3.5Å; Y20-K33 WeakPolarHBondContact O-CA 3.32Å; D21-K33 WeakPolarHBondContact OD1-CG 3.23Å
34V98.9Very high98.7Very high0 Ų039 Ų390%022%0.217CC..EExtended strand (participates in β ladder)trans-116.7140.6177.9179.70000109.3Y3 S19 Y20 T22 Y36 P184 L185 L188 P208Y3-V34 CarbonylContact O-C 3.58Å; Y3-V34 VanDerWaalsContact O-CA 3.3Å; Y3-V34 WeakPolarHBondContact O-CA 3.23Å; Y3-V34 WeakPolarHBondContact O-CG1 3.25Å; S19-V34 CarbonylContact C-O 3.56Å; S19-V34 WeakPolarHBondContact CA-O 3.41Å; S19-V34 VanDerWaalsContact CB-O 3.23Å; S19-V34 WeakPolarHBondContact CB-O 3.29Å; Y20-V34 HydrophobicContact CD1-CB 4.33Å; Y20-V34 VanDerWaalsContact CD1-O 3.29Å; Y20-V34 WeakPolarHBondContact CD1-O 3.33Å; Y20-V34 HydrophobicContact CE1-CB 3.82Å; Y20-V34 HydrophobicContact CE1-CG1 3.84Å; Y20-V34 HydrophobicContact CE2-CB 4.5Å; Y20-V34 PolarHBondContact N-O 3.1Å; Y20-V34 PolarHBondContact O-N 2.79Å; T22-V34 HydrophobicContact CG2-CG2 3.89Å; V34-Y36 PolarHBondContact O-N 3.19Å; V34-P184 HydrophobicContact CB-CG 4.36Å; V34-P184 HydrophobicContact CG1-CB 4.12Å; V34-P184 HydrophobicContact CG1-CG 4.01Å; V34-P184 HydrophobicContact CG2-CG 3.84Å; V34-L185 HydrophobicContact CG2-CD2 4Å; V34-L188 HydrophobicContact CG1-CD1 4.13Å; V34-P208 HydrophobicContact CG1-CB 3.58Å; V34-P208 HydrophobicContact CG1-CG 3.85Å
35S98.8Very high98.7Very high5 Ų537.9 Ų37.94%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-56.8136.3175.8-650000111.3Y3 Q4 Y20Y3-S35 PolarHBondContact O-N 3.21Å; Q4-S35 WeakPolarHBondContact CA-OG 3.26Å; Y20-S35 WeakPolarHBondContact CE1-O 3.37Å
36Y98.6Very high98.7Very high61 Ų6137.9 Ų37.924%0.23921%0.211CC..  trans-10390.5177.9-167-83000108.4A14 K18 Y20 V34 S38 S210 M213A14-Y36 VanDerWaalsContact CB-O 3.25Å; A14-Y36 WeakPolarHBondContact CB-O 3.42Å; K18-Y36 PolarHBondContact O-N 2.94Å; Y20-Y36 AromaticContact CD1-CD2 3.55Å; Y20-Y36 HydrophobicContact CD1-CD2 3.55Å; Y20-Y36 HydrophobicContact CD1-CG 4.23Å; Y20-Y36 HydrophobicContact CE1-CD2 4.23Å; Y20-Y36 HydrophobicContact CG-CD2 4.02Å; V34-Y36 PolarHBondContact O-N 3.19Å; Y36-S38 PolarHBondContact O-N 2.63Å; Y36-S210 WeakPolarHBondContact OH-CB 3.32Å; Y36-M213 HydrophobicContact CD1-CE 4.22Å; Y36-M213 HydrophobicContact CE1-CE 3.73Å
37A98.7Very high98.7Very high0 Ų039.7 Ų39.70%023%0.228CC..  trans-50139-176.500000111.2D41 L207 P208 M213 V214A37-D41 HydrophobicContact CB-CB 4.1Å; A37-L207 HydrophobicContact CB-CB 4Å; A37-L207 HydrophobicContact CB-CD2 4.3Å; A37-P208 WeakPolarHBondContact CB-O 3.35Å; A37-P208 PolarHBondContact N-O 3.21Å; A37-M213 WeakPolarHBondContact O-CE 3.33Å; A37-V214 HydrophobicContact CB-CG2 4.05Å
38S98.5Very high98.7Very high11 Ų1136.4 Ų36.48%0.07721%0.213CC..  trans-97.2176.2174.871.80000111.4Y36 A40 D41 V42Y36-S38 PolarHBondContact O-N 2.63Å; S38-A40 VanDerWaalsContact C-N 3.26Å; S38-A40 PolarHBondContact O-N 2.97Å; S38-A40 PolarHBondContact OG-N 3.42Å; S38-D41 VanDerWaalsContact CB-OD2 3.29Å; S38-D41 WeakPolarHBondContact CB-OD2 3.48Å; S38-D41 PolarHBondContact N-OD2 3.02Å; S38-D41 WeakPolarHBondContact O-CB 3.35Å; S38-D41 PolarHBondContact O-N 3.39Å; S38-D41 VanDerWaalsContact OG-CG 3.27Å; S38-D41 PolarHBondContact OG-N 2.99Å; S38-D41 PolarHBondContact OG-OD2 2.95Å; S38-V42 PolarHBondContact O-N 3.08Å; S38-V42 VanDerWaalsContact O-N 3.17Å
39V98.5Very high98.8Very high67 Ų6734.8 Ų34.841%0.40620%0.196SC..Hα-helixtrans-59.7-38172172.40000111.5D41 V42 D43 M213 R217V39-D41 VanDerWaalsContact C-N 3.3Å; V39-D41 PolarHBondContact O-N 3.41Å; V39-V42 WeakPolarHBondContact O-CB 3.3Å; V39-V42 PolarHBondContact O-N 3.07Å; V39-D43 PolarHBondContact O-N 2.91Å; V39-D43 VanDerWaalsContact O-N 3.08Å; V39-M213 HydrophobicContact CG2-CG 4.08Å; V39-M213 HydrophobicContact CG2-SD 4.05Å; V39-R217 HydrophobicContact CG1-CG 4.08Å
40A98.6Very high98.8Very high41 Ų4136 Ų3634%0.33920%0.195SC..Hα-helixtrans-65-35.9177.500000111.6E15 S38 V42 D43 R44E15-A40 HydrophobicContact CB-CB 4.41Å; E15-A40 HydrophobicContact CG-CB 4.28Å; S38-A40 VanDerWaalsContact C-N 3.26Å; S38-A40 PolarHBondContact O-N 2.97Å; S38-A40 PolarHBondContact OG-N 3.42Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-D43 PolarHBondContact O-N 3.4Å; A40-R44 WeakPolarHBondContact O-CG 3.43Å; A40-R44 PolarHBondContact O-N 3.24Å
41D98.8Very high98.8Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-66.1-37.8175.7-58.9-50000111.9I7 E15 A37 S38 V39 R44 A45 L207I7-D41 HydrophobicContact CD1-CB 4.32Å; E15-D41 VanDerWaalsContact CB-OD1 3.3Å; E15-D41 WeakPolarHBondContact CB-OD1 3.48Å; E15-D41 PolarHBondContact N-OD1 3.07Å; E15-D41 PolarHBondContact N-OD2 3.39Å; A37-D41 HydrophobicContact CB-CB 4.1Å; S38-D41 VanDerWaalsContact CB-OD2 3.29Å; S38-D41 WeakPolarHBondContact CB-OD2 3.48Å; S38-D41 PolarHBondContact N-OD2 3.02Å; S38-D41 WeakPolarHBondContact O-CB 3.35Å; S38-D41 PolarHBondContact O-N 3.39Å; S38-D41 VanDerWaalsContact OG-CG 3.27Å; S38-D41 PolarHBondContact OG-N 2.99Å; S38-D41 PolarHBondContact OG-OD2 2.95Å; V39-D41 VanDerWaalsContact C-N 3.3Å; V39-D41 PolarHBondContact O-N 3.41Å; D41-R44 PolarHBondContact O-N 3.07Å; D41-R44 IonicContact OD1-CZ 3.52Å; D41-R44 IonicContact OD1-NE 3.57Å; D41-R44 IonicContact OD1-NH2 2.66Å; D41-R44 PolarHBondContact OD1-NH2 3.17Å; D41-A45 WeakPolarHBondContact O-CB 3.24Å; D41-A45 PolarHBondContact O-N 3.04Å; D41-L207 HydrophobicContact CB-CD2 4.42Å
42V98.9Very high98.8Very high0 Ų035.9 Ų35.90%019%0.189CC..Hα-helixtrans-60.4-47.8172.3-177.60000111S38 V39 A40 R44 A45 V46 L207 V214 R217 L218S38-V42 PolarHBondContact O-N 3.08Å; S38-V42 VanDerWaalsContact O-N 3.17Å; V39-V42 WeakPolarHBondContact O-CB 3.3Å; V39-V42 PolarHBondContact O-N 3.07Å; A40-V42 VanDerWaalsContact C-N 3.34Å; V42-R44 PolarHBondContact O-N 3.05Å; V42-A45 PolarHBondContact O-N 3.36Å; V42-V46 HydrophobicContact CG1-CG2 4.32Å; V42-V46 WeakPolarHBondContact O-CG2 3.39Å; V42-V46 PolarHBondContact O-N 3.1Å; V42-L207 HydrophobicContact CB-CD1 4.18Å; V42-L207 HydrophobicContact CG2-CD1 3.83Å; V42-V214 HydrophobicContact CG2-CB 4.29Å; V42-V214 HydrophobicContact CG2-CG1 3.86Å; V42-V214 HydrophobicContact CG2-CG2 4.32Å; V42-R217 HydrophobicContact CB-CB 4.36Å; V42-R217 HydrophobicContact CB-CG 3.82Å; V42-R217 HydrophobicContact CG1-CB 4.11Å; V42-R217 HydrophobicContact CG1-CG 3.59Å; V42-R217 HydrophobicContact CG2-CB 4.34Å; V42-R217 HydrophobicContact CG2-CG 4.31Å; V42-L218 HydrophobicContact CG1-CD2 3.66Å; V42-L218 HydrophobicContact CG1-CG 4.06Å
43D98.8Very high98.8Very high53 Ų5336.1 Ų36.128%0.28319%0.187SC..Hα-helixtrans-64.9-40.3-178.3-69-2.5000111.5V39 A40 V46 A47 R217 H221V39-D43 PolarHBondContact O-N 2.91Å; V39-D43 VanDerWaalsContact O-N 3.08Å; A40-D43 PolarHBondContact O-N 3.4Å; D43-V46 PolarHBondContact O-N 2.96Å; D43-A47 WeakPolarHBondContact O-CB 3.38Å; D43-A47 PolarHBondContact O-N 3.5Å; D43-R217 IonicContact OD1-CZ 3.19Å; D43-R217 IonicContact OD1-NE 2.71Å; D43-R217 PolarHBondContact OD1-NE 2.77Å; D43-R217 IonicContact OD1-NH2 2.85Å; D43-R217 PolarHBondContact OD1-NH2 3.14Å; D43-R217 IonicContact OD2-CZ 3.71Å; D43-R217 IonicContact OD2-NE 3.67Å; D43-R217 IonicContact OD2-NH2 2.92Å; D43-R217 PolarHBondContact OD2-NH2 3.02Å; D43-H221 IonicContact OD1-CD2 2.77Å; D43-H221 PolarHBondContact OD1-CD2 3.29Å; D43-H221 VanDerWaalsContact OD1-CD2 3.29Å; D43-H221 IonicContact OD1-NE2 3.56Å
44R98.8Very high98.7Very high91 Ų9134 Ų3434%0.34318%0.182SC..Hα-helixtrans-61.1-45.4172.9-71.1-167.9-58.2145.7-3112.1I7 E12 A40 D41 V42 A47 A48I7-R44 HydrophobicContact CD1-CB 4.42Å; I7-R44 HydrophobicContact CG2-CB 4.47Å; E12-R44 IonicContact OE2-CZ 3.9Å; E12-R44 IonicContact OE2-NH1 2.89Å; E12-R44 PolarHBondContact OE2-NH1 2.89Å; A40-R44 WeakPolarHBondContact O-CG 3.43Å; A40-R44 PolarHBondContact O-N 3.24Å; D41-R44 PolarHBondContact O-N 3.07Å; D41-R44 IonicContact OD1-CZ 3.52Å; D41-R44 IonicContact OD1-NE 3.57Å; D41-R44 IonicContact OD1-NH2 2.66Å; D41-R44 PolarHBondContact OD1-NH2 3.17Å; V42-R44 PolarHBondContact O-N 3.05Å; R44-A47 PolarHBondContact O-N 3.46Å; R44-A48 PolarHBondContact O-N 3.25Å
45A98.9Very high98.6Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-64.7-40.7178.600000112.5I7 D41 V42 A48 A49 V176 N205 L207I7-A45 HydrophobicContact CD1-CB 4.44Å; I7-A45 HydrophobicContact CG1-CB 4.23Å; D41-A45 WeakPolarHBondContact O-CB 3.24Å; D41-A45 PolarHBondContact O-N 3.04Å; V42-A45 PolarHBondContact O-N 3.36Å; A45-A48 PolarHBondContact O-N 3.44Å; A45-A49 WeakPolarHBondContact O-CB 3.17Å; A45-A49 PolarHBondContact O-N 3.06Å; A45-V176 HydrophobicContact CB-CG1 3.86Å; A45-V176 HydrophobicContact CB-CG2 4.13Å; A45-N205 HydrophobicContact CB-CB 3.88Å; A45-L207 HydrophobicContact CB-CD1 3.77Å; A45-L207 HydrophobicContact CB-CD2 4.15Å; A45-L207 HydrophobicContact CB-CG 4.18Å
46V98.9Very high98.6Very high0 Ų037 Ų370%020%0.204CC..Hα-helixtrans-67.8-39.7176.8175.40000111.1V42 D43 A49 K50 V147 V176 L218 H221 D223 I224V42-V46 HydrophobicContact CG1-CG2 4.32Å; V42-V46 WeakPolarHBondContact O-CG2 3.39Å; V42-V46 PolarHBondContact O-N 3.1Å; D43-V46 PolarHBondContact O-N 2.96Å; V46-A49 PolarHBondContact O-N 3.39Å; V46-K50 WeakPolarHBondContact O-CB 3.36Å; V46-K50 PolarHBondContact O-N 3.28Å; V46-V147 HydrophobicContact CG1-CG1 4.32Å; V46-V176 HydrophobicContact CG2-CG2 3.92Å; V46-L218 HydrophobicContact CG2-CD2 4.32Å; V46-H221 WeakPolarHBondContact CG1-CE1 3.46Å; V46-H221 WeakPolarHBondContact CG1-ND1 3.43Å; V46-D223 HydrophobicContact CG1-CB 3.9Å; V46-I224 HydrophobicContact CG1-CG1 4.19Å; V46-I224 HydrophobicContact CG2-CD1 3.75Å; V46-I224 HydrophobicContact CG2-CG1 4.06Å
47A98.9Very high98.5Very high56 Ų5637.9 Ų37.946%0.46322%0.218SC..Hα-helixtrans-61.1-44.5174.300000111.8D43 R44 K50 E51D43-A47 WeakPolarHBondContact O-CB 3.38Å; D43-A47 PolarHBondContact O-N 3.5Å; R44-A47 PolarHBondContact O-N 3.46Å; A47-K50 PolarHBondContact O-N 3.4Å; A47-E51 PolarHBondContact O-N 2.87Å
48A98.9Very high98.5Very high13 Ų1337.9 Ų37.911%0.10722%0.218CC..Hα-helixtrans-62.5-43.5175.200000112.2I7 D8 R44 A45 K50 E51 A52I7-A48 HydrophobicContact CG2-CB 4.39Å; D8-A48 HydrophobicContact CB-CB 3.94Å; R44-A48 PolarHBondContact O-N 3.25Å; A45-A48 PolarHBondContact O-N 3.44Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3.1Å; A48-E51 PolarHBondContact O-N 3.43Å; A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.33Å
49A98.9Very high98Very high0 Ų039 Ų390%023%0.232CC..Hα-helixtrans-62.4-38.317600000112.9A45 V46 F53 V147 T174 V176 G202A45-A49 WeakPolarHBondContact O-CB 3.17Å; A45-A49 PolarHBondContact O-N 3.06Å; V46-A49 PolarHBondContact O-N 3.39Å; A49-F53 WeakPolarHBondContact O-CB 3.44Å; A49-F53 PolarHBondContact O-N 2.8Å; A49-F53 VanDerWaalsContact O-N 3.16Å; A49-V147 HydrophobicContact CB-CG1 3.71Å; A49-V147 HydrophobicContact CB-CG2 4.16Å; A49-T174 WeakPolarHBondContact O-CB 3.48Å; A49-T174 PolarHBondContact O-OG1 2.72Å; A49-V176 HydrophobicContact CB-CG2 3.96Å; A49-G202 VanDerWaalsContact CA-O 3.24Å; A49-G202 WeakPolarHBondContact CA-O 3.42Å
50K98.8Very high97.7Very high74 Ų7444.6 Ų44.632%0.32225%0.245SC..Hα-helixtrans-67-49.1176.8-176.9176.3178.2175.30111.4V46 A47 A48 A52 F53 D54 V147 D223V46-K50 WeakPolarHBondContact O-CB 3.36Å; V46-K50 PolarHBondContact O-N 3.28Å; A47-K50 PolarHBondContact O-N 3.4Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3.1Å; K50-A52 VanDerWaalsContact C-N 3.32Å; K50-A52 PolarHBondContact O-N 3.3Å; K50-F53 PolarHBondContact O-N 2.82Å; K50-F53 VanDerWaalsContact O-N 3.09Å; K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 PolarHBondContact O-N 2.84Å; K50-V147 HydrophobicContact CB-CG2 3.89Å; K50-D223 HydrophobicContact CD-CB 4.22Å; K50-D223 VanDerWaalsContact NZ-CG 3.34Å; K50-D223 IonicContact NZ-OD1 2.86Å; K50-D223 PolarHBondContact NZ-OD1 2.89Å; K50-D223 IonicContact NZ-OD2 3.43Å; K50-D223 PolarHBondContact NZ-OD2 3.12Å
51E98.8Very high97.6Very high114 Ų11444.7 Ų44.753%0.53324%0.239SC..Hα-helixtrans-59.9-43.6177.9-179.658.6-158.700111.4A47 A48 F53 S55 G56A47-E51 PolarHBondContact O-N 2.87Å; A48-E51 PolarHBondContact O-N 3.43Å; E51-F53 PolarHBondContact O-N 3.07Å; E51-S55 PolarHBondContact O-N 2.8Å; E51-S55 WeakPolarHBondContact OE1-CB 3.5Å; E51-S55 PolarHBondContact OE1-OG 2.97Å; E51-G56 PolarHBondContact O-N 3.25Å
52A98.8Very high97.6Very high6 Ų649.6 Ų49.65%0.0527%0.266CS..Hα-helixtrans-61.7-30.5176.300000113.4A48 K50 G56 T174 K201 V203A48-A52 VanDerWaalsContact O-CB 3.31Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.33Å; K50-A52 VanDerWaalsContact C-N 3.32Å; K50-A52 PolarHBondContact O-N 3.3Å; A52-G56 WeakPolarHBondContact O-CA 3.33Å; A52-T174 HydrophobicContact CB-CG2 4.06Å; A52-K201 WeakPolarHBondContact CB-O 3.09Å; A52-V203 HydrophobicContact CB-CG2 4.17Å
53F98.7Very high97.5Very high37 Ų3752.4 Ų52.416%0.16228%0.283CS..Hα-helixtrans-81.8-51.7178.1-178-102.5000112.8A49 K50 E51 P144 G172 T174A49-F53 WeakPolarHBondContact O-CB 3.44Å; A49-F53 PolarHBondContact O-N 2.8Å; A49-F53 VanDerWaalsContact O-N 3.16Å; K50-F53 PolarHBondContact O-N 2.82Å; K50-F53 VanDerWaalsContact O-N 3.09Å; E51-F53 PolarHBondContact O-N 3.07Å; F53-P144 HydrophobicContact CE2-CB 3.74Å; F53-P144 HydrophobicContact CE2-CG 4.07Å; F53-P144 HydrophobicContact CZ-CB 4.08Å; F53-P144 HydrophobicContact CZ-CG 4.43Å; F53-G172 WeakPolarHBondContact CE2-O 3.28Å; F53-T174 HydrophobicContact CB-CG2 3.82Å; F53-T174 HydrophobicContact CD2-CG2 4.5Å
54D98.2Very high97.5Very high86 Ų8657.6 Ų57.646%0.4630%0.299SS..Hα-helixtrans-76.4-42.2-171.6-71.8-24.5000112.3K50K50-D54 WeakPolarHBondContact CG-OD2 3.33Å; K50-D54 PolarHBondContact O-N 2.84Å
55S96.7Very high97.5Very high53 Ų5356.6 Ų56.637%0.37130%0.301SS..THydrogen-bonded Turntrans-116.6-27.9-170.2-60.20000112.9E51E51-S55 PolarHBondContact O-N 2.8Å; E51-S55 WeakPolarHBondContact OE1-CB 3.5Å; E51-S55 PolarHBondContact OE1-OG 2.97Å
56G97.1Very high97.5Very high13 Ų1357.6 Ų57.613%0.13430%0.304CS..SBendtrans-69.5169.6-176.200000114.8E51 A52 W58E51-G56 PolarHBondContact O-N 3.25Å; A52-G56 WeakPolarHBondContact O-CA 3.33Å; G56-W58 PolarHBondContact O-N 2.96Å
57P96.9Very high97.5Very high80 Ų8057.7 Ų57.752%0.51931%0.306SS..Hα-helixtrans-66.9-24.4-178.627.7-35.1000112.6R60 M61 P200P57-R60 PolarHBondContact O-N 3.23Å; P57-M61 VanDerWaalsContact O-CB 3.25Å; P57-M61 WeakPolarHBondContact O-CB 3.39Å; P57-M61 PolarHBondContact O-N 3.12Å; P57-P200 HydrophobicContact CG-CB 3.71Å; P57-P200 HydrophobicContact CG-CG 3.78Å
58W98.3Very high97.5Very high0 Ų058.2 Ų58.20%031%0.306CS..Hα-helixtrans-63.4-46.4-174.8-170.5-108.9000113.5G56 R60 R66 L69 L70 L169 N173 I199 P200 V203G56-W58 PolarHBondContact O-N 2.96Å; W58-R60 PolarHBondContact O-N 3.41Å; W58-R66 HydrophobicContact CD2-CG 4.47Å; W58-R66 HydrophobicContact CE3-CG 4.3Å; W58-R66 HydrophobicContact CH2-CG 3.32Å; W58-R66 HydrophobicContact CZ2-CG 3.49Å; W58-R66 VanDerWaalsContact CZ2-CG 3.49Å; W58-R66 HydrophobicContact CZ3-CG 3.77Å; W58-L69 HydrophobicContact CE3-CD1 4.49Å; W58-L69 HydrophobicContact CZ3-CD1 3.91Å; W58-L70 HydrophobicContact CH2-CD2 4.27Å; W58-L169 HydrophobicContact CZ2-CB 4.03Å; W58-L169 HydrophobicContact CZ2-CD2 3.95Å; W58-N173 PolarHBondContact NE1-O 3.31Å; W58-I199 HydrophobicContact CH2-CD1 4.14Å; W58-I199 HydrophobicContact CZ3-CD1 4.05Å; W58-P200 HydrophobicContact CB-CG 4.44Å; W58-P200 HydrophobicContact CE3-CG 4.09Å; W58-V203 HydrophobicContact CB-CG2 3.5Å; W58-V203 VanDerWaalsContact CB-CG2 3.5Å; W58-V203 HydrophobicContact CD2-CB 4.48Å; W58-V203 HydrophobicContact CD2-CG1 3.74Å; W58-V203 HydrophobicContact CD2-CG2 3.84Å; W58-V203 HydrophobicContact CE3-CG1 4.27Å; W58-V203 HydrophobicContact CE3-CG2 4.23Å; W58-V203 HydrophobicContact CG-CB 4.45Å; W58-V203 HydrophobicContact CG-CG1 4Å; W58-V203 HydrophobicContact CG-CG2 3.53Å; W58-V203 HydrophobicContact CH2-CG1 4.49Å; W58-V203 HydrophobicContact CZ2-CG1 4.02Å
59G89.2Confident97.5Very high36 Ų3659.1 Ų59.137%0.37131%0.309SS..Hα-helixtrans-69.8-16.7178.900000114.2
60R92.2Very high97.5Very high183 Ų18359.1 Ų59.169%0.69131%0.309SS*.Hα-helixtrans-107.8-11.8-177-58.9178.7-174.7-179.53.1113.7P57 W58P57-R60 PolarHBondContact O-N 3.23Å; W58-R60 PolarHBondContact O-N 3.41Å
61M95.8Very high97.5Very high44 Ų4460.2 Ų60.222%0.21731%0.312CS..SBendtrans-68.3144.2-178.2-176.4178.4-64.800111.2P57 D65 R66 L69P57-M61 VanDerWaalsContact O-CB 3.25Å; P57-M61 WeakPolarHBondContact O-CB 3.39Å; P57-M61 PolarHBondContact O-N 3.12Å; M61-D65 HydrophobicContact CG-CB 3.61Å; M61-D65 HydrophobicContact SD-CB 3.89Å; M61-R66 HydrophobicContact SD-CB 4.25Å; M61-R66 PolarHBondContact SD-N 2.85Å; M61-L69 HydrophobicContact CE-CD1 3.69Å; M61-L69 HydrophobicContact SD-CD1 3.75Å
62N98.4Very high97.5Very high103 Ų10359.5 Ų59.555%0.55131%0.307SS*.  trans-57.4141.4172.4-60.1-49.9000109.7R64 D65 R66N62-R64 PolarHBondContact O-N 3.41Å; N62-R64 VanDerWaalsContact O-N 3.12Å; N62-D65 HydrophobicContact CB-CB 4.43Å; N62-D65 WeakPolarHBondContact CB-OD2 3.43Å; N62-D65 PolarHBondContact ND2-OD2 2.88Å; N62-D65 PolarHBondContact O-N 3.34Å; N62-D65 VanDerWaalsContact O-N 3.08Å; N62-R66 PolarHBondContact O-N 3.15Å; N62-R66 VanDerWaalsContact O-N 3.09Å
63P98.6Very high97.6Very high58 Ų5859.2 Ų59.238%0.37730%0.304SS..Hα-helixtrans-57.9-31.5178.8-22.931.7000113.3R66 G67 C118 D119P63-R66 WeakPolarHBondContact O-CB 3.26Å; P63-R66 PolarHBondContact O-N 2.9Å; P63-G67 PolarHBondContact O-N 3.35Å; P63-C118 HydrophobicContact CB-CB 4.42Å; P63-C118 WeakPolarHBondContact CB-O 3.38Å; P63-C118 WeakPolarHBondContact O-CB 3.32Å; P63-D119 HydrophobicContact CB-CB 4.45Å
64R98.8Very high97.6Very high162 Ų16257.5 Ų57.561%0.61130%0.297SS*.Hα-helixtrans-66.3-41.5175.6-172.3174.4-60.5126.84.4113.7N62 R66 G67 S68 D119N62-R64 PolarHBondContact O-N 3.41Å; N62-R64 VanDerWaalsContact O-N 3.12Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.01Å; R64-G67 PolarHBondContact O-N 3.3Å; R64-S68 PolarHBondContact O-N 3.36Å; R64-S68 PolarHBondContact O-OG 3.02Å; R64-D119 HydrophobicContact CB-CB 4.29Å; R64-D119 IonicContact CZ-OD2 2.76Å; R64-D119 IonicContact NE-OD2 2.88Å; R64-D119 PolarHBondContact NE-OD2 3.01Å; R64-D119 VanDerWaalsContact NE-OD2 3.08Å; R64-D119 IonicContact NH2-OD2 3.73Å; R64-D119 PolarHBondContact NH2-OD2 3.42Å
65D98.8Very high97.6Very high71 Ų7157.1 Ų57.138%0.3830%0.295SS..Hα-helixtrans-68.2-35.7178.3-58.9-29.3000109.9M61 N62 S68 L69M61-D65 HydrophobicContact CG-CB 3.61Å; M61-D65 HydrophobicContact SD-CB 3.89Å; N62-D65 HydrophobicContact CB-CB 4.43Å; N62-D65 WeakPolarHBondContact CB-OD2 3.43Å; N62-D65 PolarHBondContact ND2-OD2 2.88Å; N62-D65 PolarHBondContact O-N 3.34Å; N62-D65 VanDerWaalsContact O-N 3.08Å; D65-S68 WeakPolarHBondContact O-CB 3.33Å; D65-S68 PolarHBondContact O-N 2.9Å; D65-S68 VanDerWaalsContact O-N 3.16Å; D65-L69 PolarHBondContact O-N 2.7Å
66R98.8Very high97.7Very high20 Ų2055.7 Ų55.78%0.07528%0.283CS..Hα-helixtrans-58.8-47.4170.3-164.2-170.5-51.2153.90.8111.7W58 M61 N62 P63 R64 S68 L69 L70 L169 A170 G172W58-R66 HydrophobicContact CD2-CG 4.47Å; W58-R66 HydrophobicContact CE3-CG 4.3Å; W58-R66 HydrophobicContact CH2-CG 3.32Å; W58-R66 HydrophobicContact CZ2-CG 3.49Å; W58-R66 VanDerWaalsContact CZ2-CG 3.49Å; W58-R66 HydrophobicContact CZ3-CG 3.77Å; M61-R66 HydrophobicContact SD-CB 4.25Å; M61-R66 PolarHBondContact SD-N 2.85Å; N62-R66 PolarHBondContact O-N 3.15Å; N62-R66 VanDerWaalsContact O-N 3.09Å; P63-R66 WeakPolarHBondContact O-CB 3.26Å; P63-R66 PolarHBondContact O-N 2.9Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.01Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 2.8Å; R66-L69 PolarHBondContact O-N 3.46Å; R66-L70 WeakPolarHBondContact O-CG 3.48Å; R66-L70 PolarHBondContact O-N 3.36Å; R66-L70 VanDerWaalsContact O-N 3.13Å; R66-L169 WeakPolarHBondContact CD-O 3.42Å; R66-A170 PolarHBondContact NH1-O 2.8Å; R66-G172 VanDerWaalsContact NH1-N 3.13Å
67G98.9Very high97.8Very high3 Ų355.1 Ų55.13%0.03128%0.277CS..Hα-helixtrans-57.1-41.6173.400000112.4P63 R64 L69 L70 Y71 A115P63-G67 PolarHBondContact O-N 3.35Å; R64-G67 PolarHBondContact O-N 3.3Å; G67-L69 VanDerWaalsContact C-N 3.34Å; G67-L69 PolarHBondContact O-N 3.44Å; G67-L70 PolarHBondContact O-N 2.8Å; G67-L70 VanDerWaalsContact O-N 3.16Å; G67-Y71 VanDerWaalsContact O-CD2 3.3Å; G67-Y71 WeakPolarHBondContact O-CD2 3.34Å; G67-Y71 PolarHBondContact O-N 2.81Å; G67-A115 WeakPolarHBondContact CA-O 3.41Å; G67-A115 WeakPolarHBondContact O-CB 3.12Å
68S98.9Very high97.9Very high66 Ų6654.9 Ų54.946%0.46227%0.269SS..Hα-helixtrans-61.7-39.4177.9-55.70000112.7R64 D65 R66 Y71 K72R64-S68 PolarHBondContact O-N 3.36Å; R64-S68 PolarHBondContact O-OG 3.02Å; D65-S68 WeakPolarHBondContact O-CB 3.33Å; D65-S68 PolarHBondContact O-N 2.9Å; D65-S68 VanDerWaalsContact O-N 3.16Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 2.8Å; S68-Y71 PolarHBondContact O-N 2.94Å; S68-K72 WeakPolarHBondContact O-CB 3.48Å; S68-K72 PolarHBondContact O-N 3.2Å
69L98.9Very high97.9Very high32 Ų3261.5 Ų61.517%0.16830%0.3CS..Hα-helixtrans-67.4-37.2174.5-69.5177.5000112.8W58 M61 D65 R66 G67 K72 L73 I199W58-L69 HydrophobicContact CE3-CD1 4.49Å; W58-L69 HydrophobicContact CZ3-CD1 3.91Å; M61-L69 HydrophobicContact CE-CD1 3.69Å; M61-L69 HydrophobicContact SD-CD1 3.75Å; D65-L69 PolarHBondContact O-N 2.7Å; R66-L69 PolarHBondContact O-N 3.46Å; G67-L69 VanDerWaalsContact C-N 3.34Å; G67-L69 PolarHBondContact O-N 3.44Å; L69-K72 PolarHBondContact O-N 3.4Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 3Å; L69-I199 HydrophobicContact CB-CD1 3.89Å
70L98.9Very high98.4Very high0 Ų061.1 Ų61.10%029%0.288CS..Hα-helixtrans-69.7-36.9176.1-64.6-176.6000112.2W58 R66 G67 L73 A74 F111 A115 L169 A170 I199W58-L70 HydrophobicContact CH2-CD2 4.27Å; R66-L70 WeakPolarHBondContact O-CG 3.48Å; R66-L70 PolarHBondContact O-N 3.36Å; R66-L70 VanDerWaalsContact O-N 3.13Å; G67-L70 PolarHBondContact O-N 2.8Å; G67-L70 VanDerWaalsContact O-N 3.16Å; L70-L73 PolarHBondContact O-N 3.11Å; L70-A74 PolarHBondContact O-N 3.3Å; L70-F111 HydrophobicContact CD2-CD1 4.32Å; L70-F111 HydrophobicContact CD2-CE1 4.47Å; L70-A115 HydrophobicContact CB-CB 3.66Å; L70-L169 HydrophobicContact CD1-CB 4.27Å; L70-L169 HydrophobicContact CD2-CB 3.95Å; L70-L169 HydrophobicContact CD2-CD1 4.1Å; L70-A170 HydrophobicContact CD1-CB 3.99Å; L70-I199 HydrophobicContact CD2-CD1 4.38Å
71Y98.9Very high98.7Very high98 Ų9855 Ų5538%0.38427%0.267SS..Hα-helixtrans-60.6-49.3169.9-82.8-59.3000111.3G67 S68 L73 A74 D75 R112 A115 G116G67-Y71 VanDerWaalsContact O-CD2 3.3Å; G67-Y71 WeakPolarHBondContact O-CD2 3.34Å; G67-Y71 PolarHBondContact O-N 2.81Å; S68-Y71 PolarHBondContact O-N 2.94Å; Y71-L73 VanDerWaalsContact C-N 3.27Å; Y71-L73 PolarHBondContact O-N 2.98Å; Y71-A74 WeakPolarHBondContact O-CA 3.42Å; Y71-A74 WeakPolarHBondContact O-CB 3.35Å; Y71-A74 PolarHBondContact O-N 2.87Å; Y71-D75 PolarHBondContact O-N 3.47Å; Y71-R112 HydrophobicContact CD1-CB 4.34Å; Y71-R112 HydrophobicContact CD1-CG 4.12Å; Y71-R112 HydrophobicContact CE1-CB 4.03Å; Y71-R112 HydrophobicContact CE1-CG 4.26Å; Y71-R112 VanDerWaalsContact CE1-O 3.24Å; Y71-R112 WeakPolarHBondContact CE1-O 3.37Å; Y71-R112 PolarHBondContact OH-O 3.44Å; Y71-A115 HydrophobicContact CD1-CB 3.88Å; Y71-A115 HydrophobicContact CD2-CB 3.6Å; Y71-A115 HydrophobicContact CE1-CB 3.87Å; Y71-A115 HydrophobicContact CE2-CB 3.61Å; Y71-A115 HydrophobicContact CG-CB 3.72Å; Y71-G116 WeakPolarHBondContact OH-CA 3.36Å; Y71-G116 PolarHBondContact OH-N 2.95Å
72K98.9Very high98.8Very high99 Ų9957.1 Ų57.143%0.4328%0.277SS..Hα-helixtrans-60.2-36.7178-177.2175170-154.80112.8S68 L69 D75 L76 K196 A197S68-K72 WeakPolarHBondContact O-CB 3.48Å; S68-K72 PolarHBondContact O-N 3.2Å; L69-K72 PolarHBondContact O-N 3.4Å; K72-D75 PolarHBondContact O-N 3.43Å; K72-L76 HydrophobicContact CG-CD1 4.4Å; K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 3.34Å; K72-K196 PolarHBondContact NZ-O 2.95Å; K72-A197 VanDerWaalsContact CD-O 3.31Å; K72-A197 WeakPolarHBondContact CD-O 3.26Å; K72-A197 WeakPolarHBondContact CE-O 3.39Å; K72-A197 HydrophobicContact CG-CB 4.49Å; K72-A197 PolarHBondContact NZ-O 2.86Å
73L98.9Very high98.9Very high0 Ų055.8 Ų55.80%027%0.267CS..Hα-helixtrans-63-44.1173178.354.8000111.5L69 L70 Y71 D75 L76 M77 F111 F190 L193 A197 I199L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 3Å; L70-L73 PolarHBondContact O-N 3.11Å; Y71-L73 VanDerWaalsContact C-N 3.27Å; Y71-L73 PolarHBondContact O-N 2.98Å; L73-D75 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 3.14Å; L73-M77 HydrophobicContact CD1-CG 4.47Å; L73-M77 HydrophobicContact CD1-SD 4.48Å; L73-M77 HydrophobicContact CG-SD 4.23Å; L73-M77 VanDerWaalsContact O-CG 3.28Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 3.13Å; L73-F111 HydrophobicContact CD2-CD1 4.15Å; L73-F111 HydrophobicContact CD2-CE1 3.83Å; L73-F111 HydrophobicContact CD2-CZ 4.3Å; L73-F190 HydrophobicContact CD1-CE2 4.14Å; L73-F190 HydrophobicContact CD2-CE2 3.72Å; L73-F190 HydrophobicContact CD2-CZ 3.83Å; L73-F190 HydrophobicContact CG-CE2 4.14Å; L73-L193 HydrophobicContact CD1-CB 4.13Å; L73-A197 HydrophobicContact CB-CB 3.86Å; L73-A197 HydrophobicContact CD1-CB 4.1Å; L73-I199 HydrophobicContact CD2-CG1 4.45Å
74A98.9Very high98.9Very high0 Ų053 Ų530%025%0.249CC..Hα-helixtrans-62.3-39.4175.600000112.4L70 Y71 M77 E78 I108 F111 R112L70-A74 PolarHBondContact O-N 3.3Å; Y71-A74 WeakPolarHBondContact O-CA 3.42Å; Y71-A74 WeakPolarHBondContact O-CB 3.35Å; Y71-A74 PolarHBondContact O-N 2.87Å; A74-M77 WeakPolarHBondContact O-CB 3.18Å; A74-M77 PolarHBondContact O-N 3.17Å; A74-E78 PolarHBondContact O-N 2.82Å; A74-I108 HydrophobicContact CB-CG2 4.37Å; A74-F111 HydrophobicContact CB-CB 3.78Å; A74-R112 HydrophobicContact CB-CG 3.65Å
75D98.9Very high98.9Very high79 Ų7945.3 Ų45.342%0.42222%0.22SC..Hα-helixtrans-65.1-40.1177-62.8-23.6000111.6Y71 K72 L73 M77 E78 E79 R112Y71-D75 PolarHBondContact O-N 3.47Å; K72-D75 PolarHBondContact O-N 3.43Å; L73-D75 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 3.34Å; D75-M77 VanDerWaalsContact C-N 3.34Å; D75-E78 PolarHBondContact O-N 2.66Å; D75-E79 PolarHBondContact O-N 2.79Å; D75-R112 IonicContact OD1-CZ 2.68Å; D75-R112 IonicContact OD1-NE 3.32Å; D75-R112 IonicContact OD1-NH2 2.67Å; D75-R112 PolarHBondContact OD1-NH2 3.47Å
76L98.9Very high98.9Very high22 Ų2244.3 Ų44.312%0.11522%0.217CC..Hα-helixtrans-67.3-34.2173.9-76.6164.6000112.8K72 L73 E78 H80 K196 A197K72-L76 HydrophobicContact CG-CD1 4.4Å; K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 3.34Å; L73-L76 PolarHBondContact O-N 3.14Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-H80 PolarHBondContact O-N 3.46Å; L76-H80 VanDerWaalsContact O-N 3.17Å; L76-H80 PolarHBondContact O-ND1 2.65Å; L76-K196 VanDerWaalsContact CD1-C 3.5Å; L76-K196 HydrophobicContact CD1-CB 3.79Å; L76-K196 HydrophobicContact CD2-CB 4.39Å; L76-A197 HydrophobicContact CD1-CB 3.71Å
77M98.9Very high98.9Very high1 Ų144 Ų441%0.00522%0.216CC..Hα-helixtrans-65.7-38.8171.8-69.9168.163.600111.4L73 A74 D75 H80 Q81 L84 I108 F111 F190 L193L73-M77 HydrophobicContact CD1-CG 4.47Å; L73-M77 HydrophobicContact CD1-SD 4.48Å; L73-M77 HydrophobicContact CG-SD 4.23Å; L73-M77 VanDerWaalsContact O-CG 3.28Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 3.13Å; A74-M77 WeakPolarHBondContact O-CB 3.18Å; A74-M77 PolarHBondContact O-N 3.17Å; D75-M77 VanDerWaalsContact C-N 3.34Å; M77-H80 CarbonylContact O-C 3.42Å; M77-H80 PolarHBondContact O-N 2.71Å; M77-Q81 WeakPolarHBondContact O-CA 3.33Å; M77-Q81 PolarHBondContact O-N 2.89Å; M77-L84 HydrophobicContact CB-CD1 4.18Å; M77-L84 HydrophobicContact CG-CD1 4.44Å; M77-I108 HydrophobicContact CB-CG1 3.86Å; M77-F111 HydrophobicContact CE-CD2 3.88Å; M77-F111 HydrophobicContact CE-CE2 4.05Å; M77-F111 HydrophobicContact SD-CD2 3.64Å; M77-F111 HydrophobicContact SD-CE2 3.89Å; M77-F111 HydrophobicContact SD-CG 4.37Å; M77-F190 HydrophobicContact SD-CD2 4.05Å; M77-F190 HydrophobicContact SD-CE2 4.02Å; M77-L193 HydrophobicContact CG-CD1 3.96Å
78E98.9Very high98.9Very high76 Ų7643.8 Ų43.836%0.35522%0.215SC..Hα-helixtrans-66.9-41.8174.8-170.5171.8-108.100112A74 D75 L76 H80 Q81 I108 R112A74-E78 PolarHBondContact O-N 2.82Å; D75-E78 PolarHBondContact O-N 2.66Å; L76-E78 VanDerWaalsContact C-N 3.34Å; E78-H80 PolarHBondContact O-N 2.67Å; E78-Q81 WeakPolarHBondContact O-CB 3.32Å; E78-Q81 WeakPolarHBondContact O-CG 3.34Å; E78-Q81 PolarHBondContact O-N 2.94Å; E78-Q81 PolarHBondContact O-NE2 3.41Å; E78-I108 HydrophobicContact CB-CD1 3.86Å; E78-I108 HydrophobicContact CB-CG1 4.42Å; E78-I108 HydrophobicContact CB-CG2 4.28Å; E78-I108 HydrophobicContact CG-CD1 4.28Å; E78-R112 VanDerWaalsContact CD-NH2 3.29Å; E78-R112 IonicContact OE1-CZ 2.65Å; E78-R112 IonicContact OE1-NH1 3.23Å; E78-R112 PolarHBondContact OE1-NH1 3.16Å; E78-R112 IonicContact OE1-NH2 3.94Å; E78-R112 PolarHBondContact OE1-NH2 2.89Å; E78-R112 IonicContact OE2-CZ 3.71Å; E78-R112 IonicContact OE2-NH1 3.43Å; E78-R112 IonicContact OE2-NH2 2.79Å; E78-R112 PolarHBondContact OE2-NH2 3.43Å
79E98.9Very high98.9Very high138 Ų13840.7 Ų40.765%0.64519%0.193SC*.Hα-helixtrans-59.8-32174.1-174-174.7168.300112.6D75D75-E79 PolarHBondContact O-N 2.79Å
80H98.9Very high98.9Very high29 Ų2941.5 Ų41.513%0.13420%0.197CC..THydrogen-bonded Turntrans-105.119.3-179.4-62.470.7000112.6L76 M77 E78 E82 E83 L84 L193 K196L76-H80 PolarHBondContact O-N 3.46Å; L76-H80 VanDerWaalsContact O-N 3.17Å; L76-H80 PolarHBondContact O-ND1 2.65Å; M77-H80 CarbonylContact O-C 3.42Å; M77-H80 PolarHBondContact O-N 2.71Å; E78-H80 PolarHBondContact O-N 2.67Å; H80-E82 VanDerWaalsContact C-N 3.32Å; H80-E82 PolarHBondContact O-N 2.74Å; H80-E83 IonicContact CD2-OE2 3.67Å; H80-E83 PolarHBondContact CD2-OE2 2.88Å; H80-E83 PolarHBondContact O-N 3.32Å; H80-E83 VanDerWaalsContact O-N 3.13Å; H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.43Å; H80-L193 HydrophobicContact CB-CD1 4.29Å; H80-L193 HydrophobicContact CB-CD2 4.4Å; H80-K196 PolarHBondContact NE2-NZ 2.84Å
81Q98.9Very high98.9Very high54 Ų5441.5 Ų41.525%0.25220%0.197SC..Hα-helixtrans-63.2-35.9-169.165.2-175.3-43.600113.4M77 E78 A85 L100 V104 I108M77-Q81 WeakPolarHBondContact O-CA 3.33Å; M77-Q81 PolarHBondContact O-N 2.89Å; E78-Q81 WeakPolarHBondContact O-CB 3.32Å; E78-Q81 WeakPolarHBondContact O-CG 3.34Å; E78-Q81 PolarHBondContact O-N 2.94Å; E78-Q81 PolarHBondContact O-NE2 3.41Å; Q81-A85 VanDerWaalsContact O-CB 3.26Å; Q81-A85 WeakPolarHBondContact O-CB 3.28Å; Q81-A85 PolarHBondContact O-N 3.02Å; Q81-L100 HydrophobicContact CB-CD1 4.01Å; Q81-L100 HydrophobicContact CG-CD1 3.78Å; Q81-V104 HydrophobicContact CB-CG1 3.76Å; Q81-I108 HydrophobicContact CB-CD1 4.33Å
82E98.9Very high98.9Very high89 Ų8936.9 Ų36.942%0.41618%0.179SC..Hα-helixtrans-70.5-36.9177.1-63.679-172.300111.6H80 T86 Y96 L100H80-E82 VanDerWaalsContact C-N 3.32Å; H80-E82 PolarHBondContact O-N 2.74Å; E82-T86 WeakPolarHBondContact O-CB 3.13Å; E82-T86 PolarHBondContact O-N 3.41Å; E82-T86 PolarHBondContact O-OG1 2.89Å; E82-Y96 WeakPolarHBondContact CB-OH 3.46Å; E82-Y96 WeakPolarHBondContact CG-OH 3.03Å; E82-L100 HydrophobicContact CG-CD1 4.47Å
83E98.9Very high98.9Very high74 Ų7432.1 Ų32.135%0.34616%0.158SC..Hα-helixtrans-65.9-48.7174.6-172.6-173.4175.900110H80 A85 T86 I87 K189H80-E83 IonicContact CD2-OE2 3.67Å; H80-E83 PolarHBondContact CD2-OE2 2.88Å; H80-E83 PolarHBondContact O-N 3.32Å; H80-E83 VanDerWaalsContact O-N 3.13Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 2.89Å; E83-T86 PolarHBondContact O-N 3.26Å; E83-I87 HydrophobicContact CG-CD1 4.06Å; E83-I87 VanDerWaalsContact O-CG1 3.31Å; E83-I87 WeakPolarHBondContact O-CG1 3.36Å; E83-I87 PolarHBondContact O-N 3.06Å; E83-K189 VanDerWaalsContact OE1-CE 3.24Å; E83-K189 WeakPolarHBondContact OE1-CE 3.08Å; E83-K189 IonicContact OE1-NZ 2.71Å; E83-K189 PolarHBondContact OE1-NZ 2.96Å; E83-K189 WeakPolarHBondContact OE2-CE 3.29Å; E83-K189 IonicContact OE2-NZ 3.72Å; E83-K189 PolarHBondContact OE2-NZ 3.22Å
84L98.9Very high98.9Very high1 Ų132.1 Ų32.11%0.00516%0.158CC..Hα-helixtrans-58.9-44.7177.2-71.8168.1000111.5M77 H80 T86 I87 E88 V104 L158 K189 L193M77-L84 HydrophobicContact CB-CD1 4.18Å; M77-L84 HydrophobicContact CG-CD1 4.44Å; H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.43Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.44Å; L84-I87 PolarHBondContact O-N 3.32Å; L84-E88 WeakPolarHBondContact O-CB 3.42Å; L84-E88 PolarHBondContact O-N 3.33Å; L84-V104 HydrophobicContact CB-CG1 4.13Å; L84-V104 HydrophobicContact CB-CG2 3.78Å; L84-V104 HydrophobicContact CD1-CG1 4.11Å; L84-L158 HydrophobicContact CB-CD2 4.2Å; L84-L158 HydrophobicContact CD1-CD2 4.13Å; L84-L158 HydrophobicContact CD2-CD2 4.15Å; L84-L158 HydrophobicContact CG-CD2 4.4Å; L84-K189 HydrophobicContact CD2-CB 4.11Å; L84-K189 HydrophobicContact CD2-CG 3.65Å; L84-L193 HydrophobicContact CD1-CD1 4.02Å; L84-L193 HydrophobicContact CD2-CD1 4.42Å
85A98.9Very high98.9Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-65.5-37.8178.300000112Q81 E83 E88 S89 Y96 A99 L100 V104Q81-A85 VanDerWaalsContact O-CB 3.26Å; Q81-A85 WeakPolarHBondContact O-CB 3.28Å; Q81-A85 PolarHBondContact O-N 3.02Å; E83-A85 VanDerWaalsContact C-N 3.34Å; E83-A85 PolarHBondContact O-N 2.89Å; A85-E88 PolarHBondContact O-N 2.92Å; A85-S89 WeakPolarHBondContact O-CB 3.44Å; A85-S89 PolarHBondContact O-N 3.49Å; A85-S89 PolarHBondContact O-OG 2.86Å; A85-S89 VanDerWaalsContact O-OG 3.08Å; A85-Y96 HydrophobicContact CB-CD2 4.05Å; A85-Y96 HydrophobicContact CB-CE2 3.79Å; A85-A99 HydrophobicContact CB-CB 4.06Å; A85-L100 HydrophobicContact CB-CB 4.04Å; A85-L100 HydrophobicContact CB-CD1 4.1Å; A85-V104 HydrophobicContact CB-CG2 4.01Å
86T98.9Very high98.9Very high49 Ų4929.7 Ų29.730%0.30114%0.144SC..Hα-helixtrans-65.5-44.6176.2-56.20000111.3E82 E83 L84 E88 S89 I90 Y96 L321E82-T86 WeakPolarHBondContact O-CB 3.13Å; E82-T86 PolarHBondContact O-N 3.41Å; E82-T86 PolarHBondContact O-OG1 2.89Å; E83-T86 PolarHBondContact O-N 3.26Å; L84-T86 VanDerWaalsContact C-N 3.34Å; L84-T86 PolarHBondContact O-N 3.44Å; T86-E88 VanDerWaalsContact C-N 3.34Å; T86-S89 PolarHBondContact O-N 3.27Å; T86-I90 HydrophobicContact CG2-CD1 3.9Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.49Å; T86-Y96 WeakPolarHBondContact OG1-CE2 3.44Å; T86-L321 HydrophobicContact CG2-CD2 4.27Å
87I98.9Very high98.9Very high13 Ų1331.6 Ų31.67%0.06716%0.157CC..Hα-helixtrans-61.5-45.8175.7-64.1166.6000109.9M1 E83 L84 S89 I90 D91 L185 T186 K189M1-I87 HydrophobicContact CG-CD1 4.34Å; M1-I87 HydrophobicContact SD-CD1 3.97Å; M1-I87 HydrophobicContact SD-CG1 3.89Å; M1-I87 HydrophobicContact SD-CG2 3.91Å; E83-I87 HydrophobicContact CG-CD1 4.06Å; E83-I87 VanDerWaalsContact O-CG1 3.31Å; E83-I87 WeakPolarHBondContact O-CG1 3.36Å; E83-I87 PolarHBondContact O-N 3.06Å; L84-I87 PolarHBondContact O-N 3.32Å; I87-S89 VanDerWaalsContact C-N 3.32Å; I87-S89 PolarHBondContact O-N 3.12Å; I87-I90 PolarHBondContact O-N 2.94Å; I87-D91 VanDerWaalsContact O-CB 3.31Å; I87-D91 WeakPolarHBondContact O-CB 3.17Å; I87-D91 PolarHBondContact O-N 2.87Å; I87-L185 HydrophobicContact CG2-CB 3.5Å; I87-L185 VanDerWaalsContact CG2-CB 3.5Å; I87-T186 HydrophobicContact CB-CG2 3.81Å; I87-T186 HydrophobicContact CG2-CG2 3.51Å; I87-K189 HydrophobicContact CD1-CB 4Å; I87-K189 HydrophobicContact CD1-CD 4.27Å; I87-K189 HydrophobicContact CD1-CG 3.89Å
88E98.9Very high98.8Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-61.4-40.8178.7-15985.5142.200111.2L84 A85 T86 I90 S92 A94 A99 H103 P157 L158 T186L84-E88 WeakPolarHBondContact O-CB 3.42Å; L84-E88 PolarHBondContact O-N 3.33Å; A85-E88 PolarHBondContact O-N 2.92Å; T86-E88 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 2.99Å; E88-S92 WeakPolarHBondContact O-CA 3.25Å; E88-S92 WeakPolarHBondContact O-CB 3.28Å; E88-S92 PolarHBondContact O-N 2.82Å; E88-S92 PolarHBondContact O-OG 2.9Å; E88-A94 HydrophobicContact CG-CB 4.28Å; E88-A99 HydrophobicContact CB-CB 4.39Å; E88-H103 HydrophobicContact CG-CB 4.09Å; E88-H103 IonicContact OE1-CD2 3.67Å; E88-P157 VanDerWaalsContact OE1-CD 3.23Å; E88-P157 WeakPolarHBondContact OE1-CD 3.46Å; E88-L158 WeakPolarHBondContact OE1-CB 3.25Å; E88-L158 PolarHBondContact OE1-N 3.43Å; E88-T186 HydrophobicContact CB-CG2 3.99Å; E88-T186 VanDerWaalsContact OE2-CB 3.23Å; E88-T186 WeakPolarHBondContact OE2-CB 3.31Å; E88-T186 WeakPolarHBondContact OE2-CG2 3.44Å; E88-T186 PolarHBondContact OE2-OG1 3.2Å
89S98.9Very high98.8Very high1 Ų129.4 Ų29.41%0.00715%0.148CC..Hα-helixtrans-61.2-41.8175.2-700000113.1A85 T86 I87 G93 A94 Y96A85-S89 WeakPolarHBondContact O-CB 3.44Å; A85-S89 PolarHBondContact O-N 3.49Å; A85-S89 PolarHBondContact O-OG 2.86Å; A85-S89 VanDerWaalsContact O-OG 3.08Å; T86-S89 PolarHBondContact O-N 3.27Å; I87-S89 VanDerWaalsContact C-N 3.32Å; I87-S89 PolarHBondContact O-N 3.12Å; S89-G93 VanDerWaalsContact O-CA 3.26Å; S89-G93 WeakPolarHBondContact O-CA 3.15Å; S89-G93 PolarHBondContact O-N 3.32Å; S89-A94 WeakPolarHBondContact CA-O 3.49Å; S89-A94 WeakPolarHBondContact CB-O 3.42Å; S89-A94 PolarHBondContact OG-O 3.28Å; S89-Y96 VanDerWaalsContact OG-CA 3.25Å; S89-Y96 WeakPolarHBondContact OG-CA 2.86Å; S89-Y96 PolarHBondContact OG-N 2.84Å
90I98.8Very high98.8Very high49 Ų4925 Ų2525%0.25113%0.128SC..Hα-helixtrans-76.5-41.8-178.2-66.4165.7000111.6N24 P25 I31 T86 I87 E88 L321N24-I90 HydrophobicContact CB-CG2 4.49Å; N24-I90 PolarHBondContact OD1-O 3.01Å; P25-I90 VanDerWaalsContact CD-O 3.26Å; P25-I90 WeakPolarHBondContact CD-O 3.49Å; I31-I90 HydrophobicContact CD1-CG2 3.79Å; I31-I90 HydrophobicContact CG1-CG2 3.85Å; I31-I90 HydrophobicContact CG2-CG2 4.24Å; T86-I90 HydrophobicContact CG2-CD1 3.9Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.49Å; I87-I90 PolarHBondContact O-N 2.94Å; E88-I90 PolarHBondContact O-N 2.99Å; I90-L321 HydrophobicContact CG1-CD1 4.42Å
91D98.8Very high98.8Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-82.9-29-174.2-158.340.3000112.2T22 I31 I87 T183 P184 L185T22-D91 PolarHBondContact OG1-OD1 2.81Å; I31-D91 HydrophobicContact CD1-CB 4.42Å; I87-D91 VanDerWaalsContact O-CB 3.31Å; I87-D91 WeakPolarHBondContact O-CB 3.17Å; I87-D91 PolarHBondContact O-N 2.87Å; D91-T183 WeakPolarHBondContact OD2-CA 3.34Å; D91-P184 WeakPolarHBondContact OD2-CD 3.41Å; D91-P184 VanDerWaalsContact OD2-N 3.15Å; D91-L185 HydrophobicContact CB-CB 4.21Å; D91-L185 HydrophobicContact CB-CD1 3.97Å; D91-L185 HydrophobicContact CB-CG 4.3Å; D91-L185 WeakPolarHBondContact OD1-CD1 3.48Å; D91-L185 WeakPolarHBondContact OD1-CG 3.25Å; D91-L185 VanDerWaalsContact OD2-CB 3.31Å; D91-L185 WeakPolarHBondContact OD2-CB 3.45Å; D91-L185 WeakPolarHBondContact OD2-CG 3.31Å; D91-L185 PolarHBondContact OD2-N 2.93Å
92S98.8Very high98.8Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-118.7-12.4-174.578.80000116E88 A94 N331E88-S92 WeakPolarHBondContact O-CA 3.25Å; E88-S92 WeakPolarHBondContact O-CB 3.28Å; E88-S92 PolarHBondContact O-N 2.82Å; E88-S92 PolarHBondContact O-OG 2.9Å; S92-A94 VanDerWaalsContact C-N 3.31Å; S92-A94 WeakPolarHBondContact OG-CB 3.44Å; S92-A94 PolarHBondContact OG-N 2.68Å; S92-N331 VanDerWaalsContact CA-ND2 3.28Å; S92-N331 WeakPolarHBondContact CA-ND2 3.33Å; S92-N331 WeakPolarHBondContact CB-ND2 3.38Å; S92-N331 PolarHBondContact O-ND2 2.89Å
93G98.8Very high98.8Very high0 Ų025.5 Ų25.50%013%0.129CC..  trans80.36.8-173.300000114.5S89 V95 P320S89-G93 VanDerWaalsContact O-CA 3.26Å; S89-G93 WeakPolarHBondContact O-CA 3.15Å; S89-G93 PolarHBondContact O-N 3.32Å; G93-V95 PolarHBondContact O-N 3.06Å; G93-P320 WeakPolarHBondContact O-CG 3.41Å
94A98.8Very high98.8Very high0 Ų022 Ų220%011%0.113CC..  trans-61.6124.3178.300000111.4E88 S89 S92 Y96 A99 P320E88-A94 HydrophobicContact CG-CB 4.28Å; S89-A94 WeakPolarHBondContact CA-O 3.49Å; S89-A94 WeakPolarHBondContact CB-O 3.42Å; S89-A94 PolarHBondContact OG-O 3.28Å; S92-A94 VanDerWaalsContact C-N 3.31Å; S92-A94 WeakPolarHBondContact OG-CB 3.44Å; S92-A94 PolarHBondContact OG-N 2.68Å; A94-Y96 PolarHBondContact O-N 3.35Å; A94-A99 HydrophobicContact CB-CB 4.05Å; A94-P320 WeakPolarHBondContact O-CB 3.34Å
95V98.9Very high98.8Very high10 Ų1022.5 Ų22.56%0.06112%0.119CC..  trans-54.5126.9173.6176.80000109.4G93 T97 L98 A99 T325G93-V95 PolarHBondContact O-N 3.06Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.92Å; V95-L98 HydrophobicContact CB-CB 4.29Å; V95-L98 CarbonylContact O-C 3.46Å; V95-L98 WeakPolarHBondContact O-CA 3.23Å; V95-L98 WeakPolarHBondContact O-CB 3.48Å; V95-L98 PolarHBondContact O-N 2.81Å; V95-A99 PolarHBondContact O-N 3.06Å; V95-T325 HydrophobicContact CG1-CG2 4.43Å; V95-T325 VanDerWaalsContact CG1-O 3.25Å; V95-T325 WeakPolarHBondContact CG1-O 3.4Å; V95-T325 HydrophobicContact CG2-CG2 3.86Å
96Y98.9Very high98.8Very high17 Ų1723.3 Ų23.37%0.06712%0.123CC..Hα-helixtrans-56.1-43.6-167.7174.1-84.2000113.5E82 A85 T86 S89 A94 L98 A99 L100 P320 L321 R323E82-Y96 WeakPolarHBondContact CB-OH 3.46Å; E82-Y96 WeakPolarHBondContact CG-OH 3.03Å; A85-Y96 HydrophobicContact CB-CD2 4.05Å; A85-Y96 HydrophobicContact CB-CE2 3.79Å; T86-Y96 WeakPolarHBondContact OG1-CE2 3.44Å; S89-Y96 VanDerWaalsContact OG-CA 3.25Å; S89-Y96 WeakPolarHBondContact OG-CA 2.86Å; S89-Y96 PolarHBondContact OG-N 2.84Å; A94-Y96 PolarHBondContact O-N 3.35Å; Y96-L98 PolarHBondContact O-N 3.15Å; Y96-A99 PolarHBondContact O-N 2.97Å; Y96-L100 HydrophobicContact CE1-CB 4.44Å; Y96-L100 HydrophobicContact CE1-CD2 4.09Å; Y96-L100 WeakPolarHBondContact O-CB 3.29Å; Y96-L100 PolarHBondContact O-N 3.05Å; Y96-P320 VanDerWaalsContact CB-O 3.31Å; Y96-P320 WeakPolarHBondContact CB-O 3.4Å; Y96-P320 PolarHBondContact N-O 3.38Å; Y96-L321 HydrophobicContact CD2-CD2 4.19Å; Y96-R323 VanDerWaalsContact CG-NH1 3.28Å
97T98.8Very high98.8Very high63 Ų6321 Ų2139%0.38711%0.108SC..Hα-helixtrans-62.6-36179.552.50000111.1V95 K101V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.92Å; T97-K101 WeakPolarHBondContact O-CB 3.48Å; T97-K101 PolarHBondContact O-N 3.44Å
98L98.6Very high98.8Very high31 Ų3120.5 Ų20.516%0.16211%0.106CC..Hα-helixtrans-74.3-39.4173.5179.163.9000112.4V95 Y96 T102 F282 N283V95-L98 HydrophobicContact CB-CB 4.29Å; V95-L98 CarbonylContact O-C 3.46Å; V95-L98 WeakPolarHBondContact O-CA 3.23Å; V95-L98 WeakPolarHBondContact O-CB 3.48Å; V95-L98 PolarHBondContact O-N 2.81Å; Y96-L98 PolarHBondContact O-N 3.15Å; L98-T102 VanDerWaalsContact CD1-OG1 3.29Å; L98-T102 WeakPolarHBondContact CD1-OG1 3.35Å; L98-T102 WeakPolarHBondContact O-CA 3.29Å; L98-T102 VanDerWaalsContact O-CB 3.26Å; L98-T102 WeakPolarHBondContact O-CB 3.48Å; L98-T102 PolarHBondContact O-N 3.42Å; L98-T102 PolarHBondContact O-OG1 3.1Å; L98-F282 HydrophobicContact CD1-CD2 4.28Å; L98-F282 HydrophobicContact CD1-CE1 4.41Å; L98-F282 HydrophobicContact CD1-CE2 3.33Å; L98-F282 HydrophobicContact CD1-CZ 3.44Å; L98-F282 VanDerWaalsContact CD1-CZ 3.44Å; L98-F282 HydrophobicContact CD2-CE2 4.25Å; L98-F282 HydrophobicContact CD2-CZ 4.32Å; L98-F282 HydrophobicContact CG-CE2 4.43Å; L98-F282 HydrophobicContact CG-CZ 4.4Å; L98-N283 HydrophobicContact CD2-CB 4.08Å
99A98.8Very high98.8Very high0 Ų025.4 Ų25.40%013%0.129CC..Iπ-helixtrans-59.9-48.9175.800000110.7A85 E88 A94 V95 Y96 H103 V104A85-A99 HydrophobicContact CB-CB 4.06Å; E88-A99 HydrophobicContact CB-CB 4.39Å; A94-A99 HydrophobicContact CB-CB 4.05Å; V95-A99 PolarHBondContact O-N 3.06Å; Y96-A99 PolarHBondContact O-N 2.97Å; A99-H103 HydrophobicContact CB-CB 4.43Å; A99-H103 WeakPolarHBondContact O-CA 3.37Å; A99-H103 WeakPolarHBondContact O-CB 3.5Å; A99-H103 PolarHBondContact O-N 2.87Å; A99-V104 PolarHBondContact O-N 3.11Å
100L98.8Very high98.8Very high44 Ų4425.3 Ų25.323%0.2313%0.129CC..Iπ-helixtrans-59.1-52.6177.9-171.966000111.5Q81 E82 A85 Y96 G105Q81-L100 HydrophobicContact CB-CD1 4.01Å; Q81-L100 HydrophobicContact CG-CD1 3.78Å; E82-L100 HydrophobicContact CG-CD1 4.47Å; A85-L100 HydrophobicContact CB-CB 4.04Å; A85-L100 HydrophobicContact CB-CD1 4.1Å; Y96-L100 HydrophobicContact CE1-CB 4.44Å; Y96-L100 HydrophobicContact CE1-CD2 4.09Å; Y96-L100 WeakPolarHBondContact O-CB 3.29Å; Y96-L100 PolarHBondContact O-N 3.05Å; L100-G105 PolarHBondContact O-N 3.31Å
101K98.6Very high98.8Very high163 Ų16323 Ų2371%0.70912%0.117SC*.Iπ-helixtrans-70.2-39.4-176.5-179175.9175.2-70.20113.5T97T97-K101 WeakPolarHBondContact O-CB 3.48Å; T97-K101 PolarHBondContact O-N 3.44Å
102T98.7Very high98.8Very high20 Ų2026.4 Ų26.412%0.12313%0.13CC..Iπ-helixtrans-110.2-62.4-168.3-51.30000111.7L98 V104 M106 M159 F282L98-T102 VanDerWaalsContact CD1-OG1 3.29Å; L98-T102 WeakPolarHBondContact CD1-OG1 3.35Å; L98-T102 WeakPolarHBondContact O-CA 3.29Å; L98-T102 VanDerWaalsContact O-CB 3.26Å; L98-T102 WeakPolarHBondContact O-CB 3.48Å; L98-T102 PolarHBondContact O-N 3.42Å; L98-T102 PolarHBondContact O-OG1 3.1Å; T102-V104 VanDerWaalsContact C-N 3.32Å; T102-V104 PolarHBondContact O-N 2.99Å; T102-M106 WeakPolarHBondContact O-CB 3.41Å; T102-M106 PolarHBondContact O-N 2.82Å; T102-M159 HydrophobicContact CG2-SD 3.95Å; T102-F282 HydrophobicContact CG2-CZ 4.08Å
103H98.8Very high98.8Very high0 Ų028.9 Ų28.90%014%0.139CC..Iπ-helixtrans-60.5-44.7-173.4-63.860.3000110.9E88 A99 S107 Y156 N283E88-H103 HydrophobicContact CG-CB 4.09Å; E88-H103 IonicContact OE1-CD2 3.67Å; A99-H103 HydrophobicContact CB-CB 4.43Å; A99-H103 WeakPolarHBondContact O-CA 3.37Å; A99-H103 WeakPolarHBondContact O-CB 3.5Å; A99-H103 PolarHBondContact O-N 2.87Å; H103-S107 WeakPolarHBondContact O-CB 3.29Å; H103-S107 PolarHBondContact O-OG 2.81Å; H103-Y156 AromaticContact CD2-CD1 3.54Å; H103-Y156 AromaticContact CE1-CD1 3.42Å; H103-Y156 VanDerWaalsContact CE1-CD1 3.42Å; H103-Y156 WeakPolarHBondContact CE1-CD1 3.36Å; H103-Y156 AromaticContact CE1-CE1 3.58Å; H103-Y156 AromaticContact CG-CD1 3.92Å; H103-Y156 AromaticContact ND1-CD1 3.85Å; H103-Y156 AromaticContact NE2-CD1 3.19Å; H103-Y156 WeakPolarHBondContact NE2-CD1 3.36Å; H103-Y156 AromaticContact NE2-CE1 3.73Å; H103-N283 PolarHBondContact CE1-OD1 3.14Å
104V98.9Very high98.9Very high0 Ų028.9 Ų28.90%014%0.139CC..Iπ-helixtrans-90.2-51.1179-175.10000111.2Q81 L84 A85 A99 T102 M106 S107 I108 L158Q81-V104 HydrophobicContact CB-CG1 3.76Å; L84-V104 HydrophobicContact CB-CG1 4.13Å; L84-V104 HydrophobicContact CB-CG2 3.78Å; L84-V104 HydrophobicContact CD1-CG1 4.11Å; A85-V104 HydrophobicContact CB-CG2 4.01Å; A99-V104 PolarHBondContact O-N 3.11Å; T102-V104 VanDerWaalsContact C-N 3.32Å; T102-V104 PolarHBondContact O-N 2.99Å; V104-M106 PolarHBondContact O-N 3.33Å; V104-S107 WeakPolarHBondContact O-CA 3.38Å; V104-S107 VanDerWaalsContact O-CB 3.27Å; V104-S107 WeakPolarHBondContact O-CB 3.49Å; V104-S107 PolarHBondContact O-N 2.99Å; V104-I108 HydrophobicContact CG1-CD1 3.9Å; V104-I108 HydrophobicContact CG1-CG1 4.49Å; V104-I108 WeakPolarHBondContact O-CG1 3.04Å; V104-I108 PolarHBondContact O-N 3.11Å; V104-L158 HydrophobicContact CB-CD2 4.48Å; V104-L158 HydrophobicContact CG1-CD2 4.49Å; V104-L158 HydrophobicContact CG2-CD2 4.03Å
105G98.9Very high98.9Very high13 Ų1329 Ų2913%0.13414%0.14CC..Hα-helixtrans-56.2-44.9-177.900000113.7L100 S107 I108 Q109L100-G105 PolarHBondContact O-N 3.31Å; G105-S107 VanDerWaalsContact C-N 3.35Å; G105-I108 PolarHBondContact O-N 3.34Å; G105-Q109 WeakPolarHBondContact O-CG 3.48Å; G105-Q109 PolarHBondContact O-N 3.19Å; G105-Q109 VanDerWaalsContact O-N 3.11Å
106M98.9Very high98.9Very high16 Ų1629.2 Ų29.28%0.07915%0.145CC..Hα-helixtrans-71.3-30.8176.5-164.7177.3-175.700112T102 V104 Q109 T110 M159 W163 V449 L465T102-M106 WeakPolarHBondContact O-CB 3.41Å; T102-M106 PolarHBondContact O-N 2.82Å; V104-M106 PolarHBondContact O-N 3.33Å; M106-Q109 PolarHBondContact O-N 3.31Å; M106-T110 WeakPolarHBondContact O-CB 3.34Å; M106-T110 PolarHBondContact O-N 2.99Å; M106-T110 PolarHBondContact O-OG1 2.75Å; M106-M159 HydrophobicContact CB-CG 4.33Å; M106-M159 HydrophobicContact CB-SD 3.97Å; M106-M159 HydrophobicContact CG-SD 4.31Å; M106-M159 HydrophobicContact SD-CG 4.49Å; M106-M159 HydrophobicContact SD-SD 3.72Å; M106-W163 HydrophobicContact CE-CZ2 3.51Å; M106-W163 HydrophobicContact SD-CZ2 3.76Å; M106-V449 HydrophobicContact CE-CG1 3.98Å; M106-V449 HydrophobicContact CG-CG1 4.01Å; M106-L465 HydrophobicContact CE-CD1 3.92Å
107S99Very high98.9Very high0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-61.4-45.7173.1-64.80000111.7H103 V104 G105 T110 F111 L158 M159H103-S107 WeakPolarHBondContact O-CB 3.29Å; H103-S107 PolarHBondContact O-OG 2.81Å; V104-S107 WeakPolarHBondContact O-CA 3.38Å; V104-S107 VanDerWaalsContact O-CB 3.27Å; V104-S107 WeakPolarHBondContact O-CB 3.49Å; V104-S107 PolarHBondContact O-N 2.99Å; G105-S107 VanDerWaalsContact C-N 3.35Å; S107-T110 WeakPolarHBondContact O-CB 3.35Å; S107-T110 PolarHBondContact O-N 2.96Å; S107-F111 WeakPolarHBondContact O-CD2 3.37Å; S107-F111 PolarHBondContact O-N 3.28Å; S107-F111 VanDerWaalsContact O-N 3.1Å; S107-L158 PolarHBondContact OG-O 3.26Å; S107-M159 VanDerWaalsContact OG-CA 3.24Å; S107-M159 WeakPolarHBondContact OG-CA 3.33Å; S107-M159 PolarHBondContact OG-N 3.21Å
108I98.9Very high98.9Very high4 Ų428 Ų282%0.02113%0.133CC..Hα-helixtrans-59.7-48.3175.4-65.4159.3000110.2A74 M77 E78 Q81 V104 G105 T110 F111 R112A74-I108 HydrophobicContact CB-CG2 4.37Å; M77-I108 HydrophobicContact CB-CG1 3.86Å; E78-I108 HydrophobicContact CB-CD1 3.86Å; E78-I108 HydrophobicContact CB-CG1 4.42Å; E78-I108 HydrophobicContact CB-CG2 4.28Å; E78-I108 HydrophobicContact CG-CD1 4.28Å; Q81-I108 HydrophobicContact CB-CD1 4.33Å; V104-I108 HydrophobicContact CG1-CD1 3.9Å; V104-I108 HydrophobicContact CG1-CG1 4.49Å; V104-I108 WeakPolarHBondContact O-CG1 3.04Å; V104-I108 PolarHBondContact O-N 3.11Å; G105-I108 PolarHBondContact O-N 3.34Å; I108-T110 VanDerWaalsContact C-N 3.25Å; I108-T110 PolarHBondContact O-N 2.98Å; I108-F111 PolarHBondContact O-N 2.83Å; I108-R112 WeakPolarHBondContact O-CG 3.5Å; I108-R112 PolarHBondContact O-N 3.22Å
109Q98.9Very high98.9Very high102 Ų10229.5 Ų29.548%0.47714%0.141SC..Hα-helixtrans-58.3-39.1176.3-70.4176.116.600112.1G105 M106 R112 Y113 V449G105-Q109 WeakPolarHBondContact O-CG 3.48Å; G105-Q109 PolarHBondContact O-N 3.19Å; G105-Q109 VanDerWaalsContact O-N 3.11Å; M106-Q109 PolarHBondContact O-N 3.31Å; Q109-R112 PolarHBondContact O-N 3.18Å; Q109-Y113 VanDerWaalsContact O-CB 3.26Å; Q109-Y113 WeakPolarHBondContact O-CB 3.18Å; Q109-Y113 PolarHBondContact O-N 3.48Å; Q109-V449 HydrophobicContact CB-CG1 3.92Å; Q109-V449 HydrophobicContact CB-CG2 4.48Å
110T98.9Very high98.9Very high0 Ų034.7 Ų34.70%016%0.164CC..Hα-helixtrans-65.2-46.6-178.1-58.80000111.1M106 S107 I108 Y113 F114 A162 A166 V449 L465M106-T110 WeakPolarHBondContact O-CB 3.34Å; M106-T110 PolarHBondContact O-N 2.99Å; M106-T110 PolarHBondContact O-OG1 2.75Å; S107-T110 WeakPolarHBondContact O-CB 3.35Å; S107-T110 PolarHBondContact O-N 2.96Å; I108-T110 VanDerWaalsContact C-N 3.25Å; I108-T110 PolarHBondContact O-N 2.98Å; T110-Y113 PolarHBondContact O-N 2.61Å; T110-F114 HydrophobicContact CG2-CD2 3.87Å; T110-F114 HydrophobicContact CG2-CE2 4Å; T110-F114 WeakPolarHBondContact O-CD2 3.49Å; T110-F114 PolarHBondContact O-N 3.24Å; T110-A162 HydrophobicContact CG2-CB 4.45Å; T110-A162 WeakPolarHBondContact CG2-O 3.34Å; T110-A166 HydrophobicContact CG2-CB 3.83Å; T110-V449 WeakPolarHBondContact OG1-CG1 3.24Å; T110-L465 HydrophobicContact CG2-CD2 4.16Å
111F98.9Very high98.9Very high0 Ų034.7 Ų34.70%016%0.164CC..Hα-helixtrans-64.4-41.9175.3-82.8-80.1000112L70 L73 A74 M77 S107 I108 Y113 A115 A162 A166 L169 F190L70-F111 HydrophobicContact CD2-CD1 4.32Å; L70-F111 HydrophobicContact CD2-CE1 4.47Å; L73-F111 HydrophobicContact CD2-CD1 4.15Å; L73-F111 HydrophobicContact CD2-CE1 3.83Å; L73-F111 HydrophobicContact CD2-CZ 4.3Å; A74-F111 HydrophobicContact CB-CB 3.78Å; M77-F111 HydrophobicContact CE-CD2 3.88Å; M77-F111 HydrophobicContact CE-CE2 4.05Å; M77-F111 HydrophobicContact SD-CD2 3.64Å; M77-F111 HydrophobicContact SD-CE2 3.89Å; M77-F111 HydrophobicContact SD-CG 4.37Å; S107-F111 WeakPolarHBondContact O-CD2 3.37Å; S107-F111 PolarHBondContact O-N 3.28Å; S107-F111 VanDerWaalsContact O-N 3.1Å; I108-F111 PolarHBondContact O-N 2.83Å; F111-Y113 VanDerWaalsContact C-N 3.35Å; F111-Y113 PolarHBondContact O-N 2.83Å; F111-A115 WeakPolarHBondContact O-CB 3.4Å; F111-A115 PolarHBondContact O-N 3.32Å; F111-A162 HydrophobicContact CD2-CB 4.09Å; F111-A162 HydrophobicContact CE2-CB 3.69Å; F111-A166 HydrophobicContact CD1-CB 3.82Å; F111-A166 HydrophobicContact CD2-CB 4.5Å; F111-A166 HydrophobicContact CE1-CB 3.94Å; F111-A166 HydrophobicContact CG-CB 4.11Å; F111-A166 HydrophobicContact CZ-CB 4.32Å; F111-L169 HydrophobicContact CE1-CD1 4.18Å; F111-F190 HydrophobicContact CE1-CE2 4.23Å; F111-F190 HydrophobicContact CE1-CZ 4.2Å; F111-F190 AromaticContact CE2-CE2 3.64Å; F111-F190 HydrophobicContact CE2-CE2 3.64Å; F111-F190 HydrophobicContact CE2-CZ 4.19Å; F111-F190 AromaticContact CZ-CE2 3.4Å; F111-F190 HydrophobicContact CZ-CE2 3.4Å; F111-F190 AromaticContact CZ-CZ 3.49Å; F111-F190 HydrophobicContact CZ-CZ 3.49Å; F111-F190 VanDerWaalsContact CZ-CZ 3.49Å
112R98.9Very high98.9Very high72 Ų7234.1 Ų34.127%0.27216%0.164SC..Hα-helixtrans-61.6-41.2175.3-72.7-179.6170.2153.3-0.9112.6Y71 A74 D75 E78 I108 Q109 G116Y71-R112 HydrophobicContact CD1-CB 4.34Å; Y71-R112 HydrophobicContact CD1-CG 4.12Å; Y71-R112 HydrophobicContact CE1-CB 4.03Å; Y71-R112 HydrophobicContact CE1-CG 4.26Å; Y71-R112 VanDerWaalsContact CE1-O 3.24Å; Y71-R112 WeakPolarHBondContact CE1-O 3.37Å; Y71-R112 PolarHBondContact OH-O 3.44Å; A74-R112 HydrophobicContact CB-CG 3.65Å; D75-R112 IonicContact OD1-CZ 2.68Å; D75-R112 IonicContact OD1-NE 3.32Å; D75-R112 IonicContact OD1-NH2 2.67Å; D75-R112 PolarHBondContact OD1-NH2 3.47Å; E78-R112 VanDerWaalsContact CD-NH2 3.29Å; E78-R112 IonicContact OE1-CZ 2.65Å; E78-R112 IonicContact OE1-NH1 3.23Å; E78-R112 PolarHBondContact OE1-NH1 3.16Å; E78-R112 IonicContact OE1-NH2 3.94Å; E78-R112 PolarHBondContact OE1-NH2 2.89Å; E78-R112 IonicContact OE2-CZ 3.71Å; E78-R112 IonicContact OE2-NH1 3.43Å; E78-R112 IonicContact OE2-NH2 2.79Å; E78-R112 PolarHBondContact OE2-NH2 3.43Å; I108-R112 WeakPolarHBondContact O-CG 3.5Å; I108-R112 PolarHBondContact O-N 3.22Å; Q109-R112 PolarHBondContact O-N 3.18Å; R112-G116 PolarHBondContact O-N 2.95Å
113Y98.9Very high98.9Very high51 Ų5134.8 Ų34.820%0.218%0.175CC..Hα-helixtrans-62.6-54.2178.3175.5-100.3000111.1Q109 T110 F111 A115 G116 W117 V449 A450 E467Q109-Y113 VanDerWaalsContact O-CB 3.26Å; Q109-Y113 WeakPolarHBondContact O-CB 3.18Å; Q109-Y113 PolarHBondContact O-N 3.48Å; T110-Y113 PolarHBondContact O-N 2.61Å; F111-Y113 VanDerWaalsContact C-N 3.35Å; F111-Y113 PolarHBondContact O-N 2.83Å; Y113-A115 PolarHBondContact O-N 3.21Å; Y113-G116 PolarHBondContact O-N 2.92Å; Y113-W117 AromaticContact CE1-CD1 3.67Å; Y113-W117 AromaticContact CE1-NE1 3.36Å; Y113-W117 AromaticContact CE2-NE1 3.61Å; Y113-W117 AromaticContact CZ-CD1 3.84Å; Y113-W117 AromaticContact CZ-NE1 3.07Å; Y113-W117 PolarHBondContact OH-NE1 3.44Å; Y113-V449 WeakPolarHBondContact CD1-O 3.27Å; Y113-V449 HydrophobicContact CD2-CG2 4Å; Y113-V449 VanDerWaalsContact CE1-O 3.31Å; Y113-V449 WeakPolarHBondContact CE1-O 3.22Å; Y113-V449 HydrophobicContact CG-CB 4.25Å; Y113-V449 HydrophobicContact CG-CG2 3.84Å; Y113-A450 HydrophobicContact CD2-CB 4.34Å; Y113-A450 HydrophobicContact CE2-CB 3.61Å; Y113-E467 PolarHBondContact OH-N 3.34Å
114F98.9Very high98.8Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-73.1-27.2-177.9-76.5-65.1000113.8T110 G116 W117 A166 A167 A170 G466 A469 L470T110-F114 HydrophobicContact CG2-CD2 3.87Å; T110-F114 HydrophobicContact CG2-CE2 4Å; T110-F114 WeakPolarHBondContact O-CD2 3.49Å; T110-F114 PolarHBondContact O-N 3.24Å; F114-G116 PolarHBondContact O-N 2.82Å; F114-W117 WeakPolarHBondContact O-CB 3.08Å; F114-W117 PolarHBondContact O-N 2.8Å; F114-A166 HydrophobicContact CB-CB 4.01Å; F114-A166 HydrophobicContact CD2-CB 3.66Å; F114-A166 HydrophobicContact CG-CB 4.19Å; F114-A167 HydrophobicContact CD1-CB 4.01Å; F114-A167 HydrophobicContact CD2-CB 4.27Å; F114-A167 HydrophobicContact CE1-CB 3.71Å; F114-A167 HydrophobicContact CE2-CB 3.99Å; F114-A167 HydrophobicContact CG-CB 4.29Å; F114-A167 HydrophobicContact CZ-CB 3.7Å; F114-A170 HydrophobicContact CB-CB 3.88Å; F114-A170 VanDerWaalsContact O-CB 3.26Å; F114-A170 WeakPolarHBondContact O-CB 3.47Å; F114-G466 VanDerWaalsContact CE1-O 3.25Å; F114-G466 WeakPolarHBondContact CE1-O 3.35Å; F114-G466 WeakPolarHBondContact CZ-O 2.96Å; F114-A469 HydrophobicContact CE1-CB 4.36Å; F114-A469 HydrophobicContact CZ-CB 3.99Å; F114-L470 HydrophobicContact CD1-CD2 3.92Å; F114-L470 HydrophobicContact CD1-CG 4.3Å; F114-L470 HydrophobicContact CE1-CD2 4.14Å; F114-L470 HydrophobicContact CE1-CG 4.1Å
115A98.9Very high98.8Very high3 Ų347.5 Ų47.53%0.02524%0.24CC..Hα-helixtrans-55.6-39.9169.100000111.8G67 L70 Y71 F111 Y113 W117 C118G67-A115 WeakPolarHBondContact CA-O 3.41Å; G67-A115 WeakPolarHBondContact O-CB 3.12Å; L70-A115 HydrophobicContact CB-CB 3.66Å; Y71-A115 HydrophobicContact CD1-CB 3.88Å; Y71-A115 HydrophobicContact CD2-CB 3.6Å; Y71-A115 HydrophobicContact CE1-CB 3.87Å; Y71-A115 HydrophobicContact CE2-CB 3.61Å; Y71-A115 HydrophobicContact CG-CB 3.72Å; F111-A115 WeakPolarHBondContact O-CB 3.4Å; F111-A115 PolarHBondContact O-N 3.32Å; Y113-A115 PolarHBondContact O-N 3.21Å; A115-W117 PolarHBondContact O-N 3.49Å; A115-C118 PolarHBondContact O-N 3.31Å; A115-C118 PolarHBondContact O-SG 2.87Å
116G98.9Very high98.8Very high15 Ų1550.5 Ų50.516%0.15525%0.252CS..THydrogen-bonded Turntrans-66.9-19.9176.300000114.3Y71 R112 Y113 F114 K120Y71-G116 WeakPolarHBondContact OH-CA 3.36Å; Y71-G116 PolarHBondContact OH-N 2.95Å; R112-G116 PolarHBondContact O-N 2.95Å; Y113-G116 PolarHBondContact O-N 2.92Å; F114-G116 PolarHBondContact O-N 2.82Å; G116-K120 WeakPolarHBondContact O-CD 3.39Å; G116-K120 WeakPolarHBondContact O-CE 3.36Å; G116-K120 PolarHBondContact O-NZ 3.37Å
117W98.9Very high98.8Very high50 Ų5055.9 Ų55.919%0.18929%0.288CS..THydrogen-bonded Turntrans-85.3-21.6-179.1-83105.2000114.3Y113 F114 A115 D119 K120 I121 E467 L470Y113-W117 AromaticContact CE1-CD1 3.67Å; Y113-W117 AromaticContact CE1-NE1 3.36Å; Y113-W117 AromaticContact CE2-NE1 3.61Å; Y113-W117 AromaticContact CZ-CD1 3.84Å; Y113-W117 AromaticContact CZ-NE1 3.07Å; Y113-W117 PolarHBondContact OH-NE1 3.44Å; F114-W117 WeakPolarHBondContact O-CB 3.08Å; F114-W117 PolarHBondContact O-N 2.8Å; A115-W117 PolarHBondContact O-N 3.49Å; W117-D119 VanDerWaalsContact C-N 3.26Å; W117-D119 PolarHBondContact O-N 2.95Å; W117-D119 VanDerWaalsContact O-N 3.11Å; W117-K120 HydrophobicContact CE3-CB 3.97Å; W117-K120 HydrophobicContact CZ3-CB 4.33Å; W117-K120 PolarHBondContact O-N 2.91Å; W117-I121 WeakPolarHBondContact O-CG1 3.5Å; W117-I121 PolarHBondContact O-N 3.26Å; W117-E467 HydrophobicContact CH2-CB 3.86Å; W117-E467 VanDerWaalsContact CH2-CD 3.42Å; W117-E467 HydrophobicContact CH2-CG 3.57Å; W117-E467 WeakPolarHBondContact CH2-OE2 3.09Å; W117-E467 HydrophobicContact CZ2-CB 3.79Å; W117-E467 HydrophobicContact CZ2-CG 4Å; W117-E467 HydrophobicContact CZ3-CG 3.88Å; W117-L470 HydrophobicContact CB-CD1 3.75Å; W117-L470 HydrophobicContact CD2-CD1 3.7Å; W117-L470 HydrophobicContact CE3-CD1 3.82Å; W117-L470 HydrophobicContact CG-CD1 3.69Å
118C98.9Very high98.8Very high4 Ų458.7 Ų58.73%0.02730%0.302CS..THydrogen-bonded Turntrans-51.8-43-171.9-61.30000113.2P63 A115 A170P63-C118 HydrophobicContact CB-CB 4.42Å; P63-C118 WeakPolarHBondContact CB-O 3.38Å; P63-C118 WeakPolarHBondContact O-CB 3.32Å; A115-C118 PolarHBondContact O-N 3.31Å; A115-C118 PolarHBondContact O-SG 2.87Å; C118-A170 VanDerWaalsContact SG-CA 3.54Å
119D98.7Very high98.8Very high62 Ų6265.9 Ų65.933%0.33234%0.341SS..THydrogen-bonded Turntrans-96.89.4179.677-13.6000114.9P63 R64 W117P63-D119 HydrophobicContact CB-CB 4.45Å; R64-D119 HydrophobicContact CB-CB 4.29Å; R64-D119 IonicContact CZ-OD2 2.76Å; R64-D119 IonicContact NE-OD2 2.88Å; R64-D119 PolarHBondContact NE-OD2 3.01Å; R64-D119 VanDerWaalsContact NE-OD2 3.08Å; R64-D119 IonicContact NH2-OD2 3.73Å; R64-D119 PolarHBondContact NH2-OD2 3.42Å; W117-D119 VanDerWaalsContact C-N 3.26Å; W117-D119 PolarHBondContact O-N 2.95Å; W117-D119 VanDerWaalsContact O-N 3.11Å
120K98.9Very high98.7Very high109 Ų10964.8 Ų64.847%0.47434%0.336SS..THydrogen-bonded Turntrans-114.1-2.8179.6-61.2178.4-171.659.10113.2G116 W117 Q122G116-K120 WeakPolarHBondContact O-CD 3.39Å; G116-K120 WeakPolarHBondContact O-CE 3.36Å; G116-K120 PolarHBondContact O-NZ 3.37Å; W117-K120 HydrophobicContact CE3-CB 3.97Å; W117-K120 HydrophobicContact CZ3-CB 4.33Å; W117-K120 PolarHBondContact O-N 2.91Å; K120-Q122 PolarHBondContact O-N 2.72Å
121I98.7Very high98.7Very high44 Ų4467 Ų6723%0.22635%0.354CS..  trans-69.1113.7170.9-66.1159.6000109.1W117 K142 L470 L474W117-I121 WeakPolarHBondContact O-CG1 3.5Å; W117-I121 PolarHBondContact O-N 3.26Å; I121-K142 HydrophobicContact CG2-CB 3.52Å; I121-K142 HydrophobicContact CG2-CG 3.88Å; I121-L470 HydrophobicContact CD1-CD2 4.24Å; I121-L470 HydrophobicContact CG1-CD1 4.13Å; I121-L474 HydrophobicContact CD1-CD1 4.33Å; I121-L474 HydrophobicContact CG1-CD1 4.38Å; I121-L474 HydrophobicContact CG2-CD1 3.6Å; I121-L474 HydrophobicContact CG2-CD2 4.42Å
122Q98.8Very high98.6Very high152 Ų15276 Ų7671%0.7139%0.388SS*.  trans-118.3150.7-174.7-67.9-179.79.200113.6K120 K142K120-Q122 PolarHBondContact O-N 2.72Å; Q122-K142 WeakPolarHBondContact O-CG 3.31Å
123G98.3Very high98.5Very high34 Ų3477.9 Ų77.935%0.35141%0.41SS..  trans-84.1-163.8164.700000112.4T140G123-T140 WeakPolarHBondContact CA-O 3.49Å; G123-T140 WeakPolarHBondContact CA-OG1 3.26Å
124K98.6Very high98.5Very high153 Ų15378.8 Ų78.867%0.66542%0.418SS*.  trans-137.7150.5177.6-58.7-172.6178.7-173.80110.3F139 T140K124-F139 CarbonylContact O-C 3.46Å; K124-F139 WeakPolarHBondContact O-CA 3.39Å; K124-F139 WeakPolarHBondContact O-CB 3.08Å; K124-T140 PolarHBondContact N-OG1 3.19Å; K124-T140 PolarHBondContact O-N 2.95Å
125T98.8Very high98.5Very high114 Ų11485.6 Ų85.670%0.69944%0.443SS*.EExtended strand (participates in β ladder)trans-95.7140.6160.4510000108.9T138 F139T125-T138 WeakPolarHBondContact CA-O 3.47Å; T125-F139 HydrophobicContact CG2-CB 4.18Å
126I98.7Very high98.5Very high75 Ų7586.4 Ų86.439%0.38545%0.448SS..EExtended strand (participates in β ladder)trans-125.7121.7-170.3-51.5179.9000109.9I128 T138 T140I126-I128 VanDerWaalsContact C-N 3.32Å; I126-I128 HydrophobicContact CB-CG2 4.38Å; I126-I128 HydrophobicContact CG2-CG2 3.85Å; I126-I128 PolarHBondContact O-N 2.79Å; I126-T138 HydrophobicContact CB-CG2 3.98Å; I126-T138 HydrophobicContact CD1-CG2 4.09Å; I126-T138 HydrophobicContact CG1-CG2 4.29Å; I126-T138 PolarHBondContact N-O 3.01Å; I126-T140 HydrophobicContact CD1-CG2 3.91Å
127P98.1Very high98.5Very high129 Ų12989.5 Ų89.584%0.83846%0.46SS*.  trans-80.177179.833.4-35000111
128I98.6Very high98.5Very high59 Ų5987.4 Ų87.430%0.30345%0.453SS..PPolyproline II helixtrans-75.3160177.164.9159.5000111.9I126 Q130 N136 T138 T480I126-I128 VanDerWaalsContact C-N 3.32Å; I126-I128 HydrophobicContact CB-CG2 4.38Å; I126-I128 HydrophobicContact CG2-CG2 3.85Å; I126-I128 PolarHBondContact O-N 2.79Å; I128-Q130 PolarHBondContact O-NE2 2.88Å; I128-N136 HydrophobicContact CD1-CB 3.83Å; I128-N136 HydrophobicContact CG1-CB 4.22Å; I128-T138 WeakPolarHBondContact CD1-OG1 3.31Å; I128-T138 HydrophobicContact CG2-CG2 4.42Å; I128-T480 HydrophobicContact CD1-CG2 3.98Å
129N98.6Very high98.5Very high156 Ų15690 Ų9083%0.83446%0.464SS*.PPolyproline II helixtrans-56.2142.3169.6-74.6-11.2000110.6
130Q98.5Very high98.5Very high78 Ų7888 Ų8836%0.36445%0.454SS..PPolyproline II helixtrans-92.2137.5-175.6-54.7-67.7-6600111I128 R132 N136I128-Q130 PolarHBondContact O-NE2 2.88Å; Q130-R132 VanDerWaalsContact C-N 3.26Å; Q130-R132 HydrophobicContact CB-CG 4.33Å; Q130-R132 PolarHBondContact O-N 3.02Å; Q130-N136 PolarHBondContact NE2-O 2.96Å
131A98.2Very high98.5Very high46 Ų4687.7 Ų87.738%0.3845%0.453SS..  trans-78.671.117200000110.8N134 N136 E482A131-N134 WeakPolarHBondContact O-CA 3.13Å; A131-N134 WeakPolarHBondContact O-CB 3.49Å; A131-N134 PolarHBondContact O-N 2.75Å; A131-N136 WeakPolarHBondContact CB-OD1 3.17Å; A131-N136 PolarHBondContact N-OD1 3.18Å; A131-E482 WeakPolarHBondContact CB-OE2 3.5Å
132R97.5Very high98.4Very high189 Ų18988.7 Ų88.771%0.71346%0.455SS*.THydrogen-bonded Turntrans-57.7140.4-173.3-62-69.2-77.6176.2-7112Q130Q130-R132 VanDerWaalsContact C-N 3.26Å; Q130-R132 HydrophobicContact CB-CG 4.33Å; Q130-R132 PolarHBondContact O-N 3.02Å
133P96.9Very high98.4Very high113 Ų11383.6 Ų83.673%0.73443%0.431SS*.THydrogen-bonded Turncis-80.9-78.834-36.9000115.5
134N98.5Very high98.5Very high70 Ų7083.4 Ų83.437%0.37442%0.424SS..SBendtrans-71.6173-179.6-57.8-18.1000111.8A131 E482A131-N134 WeakPolarHBondContact O-CA 3.13Å; A131-N134 WeakPolarHBondContact O-CB 3.49Å; A131-N134 PolarHBondContact O-N 2.75Å; N134-E482 HydrophobicContact CB-CG 3.83Å; N134-E482 PolarHBondContact ND2-OE1 2.87Å
135R98.5Very high98.5Very high142 Ų14277 Ų7754%0.53640%0.397SS..  trans-116.2157174-67.9-179.4177.5-124.31.8111.2E482 Y483R135-E482 CarbonylContact O-C 3.56Å; R135-E482 VanDerWaalsContact O-CA 3.32Å; R135-E482 WeakPolarHBondContact O-CA 3.47Å; R135-Y483 HydrophobicContact CB-CD1 4.3Å; R135-Y483 HydrophobicContact CB-CD2 4.22Å; R135-Y483 HydrophobicContact CB-CE1 3.8Å; R135-Y483 HydrophobicContact CB-CE2 3.73Å; R135-Y483 HydrophobicContact CB-CG 4.48Å; R135-Y483 VanDerWaalsContact CB-CZ 3.49Å; R135-Y483 HydrophobicContact CG-CE2 4.39Å; R135-Y483 PolarHBondContact N-O 2.88Å; R135-Y483 PolarHBondContact O-N 3.07Å
136N98.8Very high98.4Very high21 Ų2171.7 Ų71.711%0.11237%0.365CS..EExtended strand (participates in β ladder)trans-127.9136.1174.9-54.393.4000111.2I128 Q130 A131 V481 E482I128-N136 HydrophobicContact CD1-CB 3.83Å; I128-N136 HydrophobicContact CG1-CB 4.22Å; Q130-N136 PolarHBondContact NE2-O 2.96Å; A131-N136 WeakPolarHBondContact CB-OD1 3.17Å; A131-N136 PolarHBondContact N-OD1 3.18Å; N136-V481 CarbonylContact C-O 3.48Å; N136-V481 VanDerWaalsContact CA-O 3.25Å; N136-V481 WeakPolarHBondContact CA-O 3.22Å; N136-E482 WeakPolarHBondContact ND2-CB 3.27Å; N136-E482 PolarHBondContact ND2-OE2 3.5Å
137L98.7Very high98.5Very high79 Ų7968.3 Ų68.341%0.41435%0.348SS..EExtended strand (participates in β ladder)trans-110.3119.6168.7171.663.2000108.5F139 T480 V481 Y483L137-F139 HydrophobicContact CD2-CD1 4.31Å; L137-F139 HydrophobicContact CG-CD1 4.17Å; L137-T480 WeakPolarHBondContact O-CA 3.21Å; L137-V481 PolarHBondContact N-O 3.05Å; L137-V481 PolarHBondContact O-N 3.36Å; L137-Y483 HydrophobicContact CB-CD1 4.43Å; L137-Y483 HydrophobicContact CB-CE1 3.89Å
138T98.8Very high98.5Very high7 Ų762.2 Ų62.24%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-113.6130.5169.7-64.70000110.3T125 I126 I128 V479 T480T125-T138 WeakPolarHBondContact CA-O 3.47Å; I126-T138 HydrophobicContact CB-CG2 3.98Å; I126-T138 HydrophobicContact CD1-CG2 4.09Å; I126-T138 HydrophobicContact CG1-CG2 4.29Å; I126-T138 PolarHBondContact N-O 3.01Å; I128-T138 WeakPolarHBondContact CD1-OG1 3.31Å; I128-T138 HydrophobicContact CG2-CG2 4.42Å; T138-V479 WeakPolarHBondContact CA-O 3.34Å; T138-T480 WeakPolarHBondContact OG1-CG2 3.46Å; T138-T480 PolarHBondContact OG1-OG1 3.2Å
139F98.8Very high98.5Very high58 Ų5859.4 Ų59.425%0.25429%0.294SS..EExtended strand (participates in β ladder)trans-140.8161.8170.565.5-83.5000111.3K124 T125 L137 K141 V479K124-F139 CarbonylContact O-C 3.46Å; K124-F139 WeakPolarHBondContact O-CA 3.39Å; K124-F139 WeakPolarHBondContact O-CB 3.08Å; T125-F139 HydrophobicContact CG2-CB 4.18Å; L137-F139 HydrophobicContact CD2-CD1 4.31Å; L137-F139 HydrophobicContact CG-CD1 4.17Å; F139-K141 HydrophobicContact CD2-CG 4.42Å; F139-K141 HydrophobicContact CE2-CD 4.49Å; F139-K141 HydrophobicContact CE2-CG 4.11Å; F139-V479 HydrophobicContact CD1-CB 4.31Å; F139-V479 HydrophobicContact CD2-CB 4.46Å; F139-V479 HydrophobicContact CE1-CB 3.86Å; F139-V479 HydrophobicContact CE1-CG1 3.77Å; F139-V479 HydrophobicContact CE2-CB 4.03Å; F139-V479 HydrophobicContact CE2-CG1 4.49Å; F139-V479 HydrophobicContact CE2-CG2 4.17Å; F139-V479 HydrophobicContact CZ-CB 3.71Å; F139-V479 HydrophobicContact CZ-CG1 3.71Å; F139-V479 HydrophobicContact CZ-CG2 4.18Å; F139-V479 PolarHBondContact N-O 2.96Å; F139-V479 PolarHBondContact O-N 2.83Å
140T98.8Very high98.5Very high19 Ų1952 Ų5212%0.11725%0.254CS..EExtended strand (participates in β ladder)trans-112.2148.5177.466.30000112G123 K124 I126 T476 K477 A478G123-T140 WeakPolarHBondContact CA-O 3.49Å; G123-T140 WeakPolarHBondContact CA-OG1 3.26Å; K124-T140 PolarHBondContact N-OG1 3.19Å; K124-T140 PolarHBondContact O-N 2.95Å; I126-T140 HydrophobicContact CD1-CG2 3.91Å; T140-T476 HydrophobicContact CG2-CG2 3.91Å; T140-K477 CarbonylContact C-O 3.46Å; T140-K477 WeakPolarHBondContact CA-O 3.29Å; T140-A478 HydrophobicContact CG2-CB 4.5Å
141K98.6Very high98.5Very high104 Ų10448.7 Ų48.745%0.45224%0.239SC..EExtended strand (participates in β ladder)trans-113.6135.1168.7-61.8-174178.9-174.10109.1F139 E143 T476 K477F139-K141 HydrophobicContact CD2-CG 4.42Å; F139-K141 HydrophobicContact CE2-CD 4.49Å; F139-K141 HydrophobicContact CE2-CG 4.11Å; K141-E143 HydrophobicContact CB-CG 4.38Å; K141-T476 WeakPolarHBondContact O-CA 3.23Å; K141-K477 HydrophobicContact CB-CB 4.48Å; K141-K477 PolarHBondContact N-O 3.43Å; K141-K477 PolarHBondContact O-N 2.89Å
142K98.6Very high98.6Very high64 Ų6446.8 Ų46.828%0.27822%0.223SC..EExtended strand (participates in β ladder)trans-90.1121.8167.7-65.2-64.3-173.5172.50108I121 Q122 L474 T476I121-K142 HydrophobicContact CG2-CB 3.52Å; I121-K142 HydrophobicContact CG2-CG 3.88Å; Q122-K142 WeakPolarHBondContact O-CG 3.31Å; K142-L474 HydrophobicContact CB-CD1 4.38Å; K142-L474 HydrophobicContact CB-CD2 4.45Å; K142-T476 PolarHBondContact NZ-OG1 2.78Å
143E98.5Very high98.6Very high45 Ų4538.3 Ų38.321%0.2119%0.192CC..EExtended strand (participates in β ladder)trans-124.6149.8-177.8-63.9-179.116500109.9K141 L474 K475 K477K141-E143 HydrophobicContact CB-CG 4.38Å; E143-L474 CarbonylContact O-C 3.56Å; E143-L474 WeakPolarHBondContact O-CA 3.35Å; E143-L474 WeakPolarHBondContact O-CD2 3.47Å; E143-K475 HydrophobicContact CB-CG 3.93Å; E143-K475 PolarHBondContact N-O 2.97Å; E143-K475 PolarHBondContact O-N 3.45Å; E143-K477 WeakPolarHBondContact OE1-CE 3.1Å; E143-K477 IonicContact OE1-NZ 3.08Å; E143-K477 PolarHBondContact OE1-NZ 3.01Å; E143-K477 WeakPolarHBondContact OE2-CE 3.21Å; E143-K477 IonicContact OE2-NZ 3.36Å; E143-K477 PolarHBondContact OE2-NZ 3.17Å
144P98.6Very high98.7Very high31 Ų3135.3 Ų35.320%0.20117%0.166CC..EExtended strand (participates in β ladder)trans-61.1156.7171.4-10.621.1000111.6F53 A171 N173 K475F53-P144 HydrophobicContact CE2-CB 3.74Å; F53-P144 HydrophobicContact CE2-CG 4.07Å; F53-P144 HydrophobicContact CZ-CB 4.08Å; F53-P144 HydrophobicContact CZ-CG 4.43Å; P144-A171 WeakPolarHBondContact CB-O 3.48Å; P144-A171 WeakPolarHBondContact CG-O 3.29Å; P144-N173 WeakPolarHBondContact CB-OD1 3.48Å; P144-K475 WeakPolarHBondContact O-CE 3.25Å; P144-K475 PolarHBondContact O-NZ 2.89Å
145L98.6Very high98.7Very high18 Ų1832.1 Ų32.19%0.09415%0.149CC..  trans-75.3-36.7174.7-66.3173.5000112.5N173 R225 K226 K250 E472 K475L145-N173 WeakPolarHBondContact CA-OD1 3.43Å; L145-N173 PolarHBondContact N-OD1 3.34Å; L145-R225 HydrophobicContact CB-CB 4.48Å; L145-K226 HydrophobicContact CD1-CB 3.85Å; L145-K226 HydrophobicContact CD1-CD 3.91Å; L145-K226 HydrophobicContact CD1-CG 4.16Å; L145-K250 HydrophobicContact CD1-CD 3.93Å; L145-K250 HydrophobicContact CD2-CD 3.98Å; L145-E472 WeakPolarHBondContact CD1-O 3.37Å; L145-K475 HydrophobicContact CD2-CB 3.93Å; L145-K475 HydrophobicContact CD2-CG 4.5Å
146G98.6Very high98.8Very high3 Ų325.5 Ų25.53%0.03112%0.124CC..  trans121.8-135.9-17500000111.3C148 N173 T174G146-C148 PolarHBondContact O-N 3.11Å; G146-N173 PolarHBondContact N-OD1 3.46Å; G146-N173 VanDerWaalsContact O-CB 3.28Å; G146-N173 WeakPolarHBondContact O-CB 3.37Å; G146-N173 PolarHBondContact O-OD1 3.29Å; G146-T174 PolarHBondContact O-N 3.45Å
147V98.9Very high98.8Very high4 Ų424.6 Ų24.62%0.02412%0.119CC..EExtended strand (participates in β ladder)trans-71.8125.1176.9-174.30000110.7V46 A49 K50 I224 R225V46-V147 HydrophobicContact CG1-CG1 4.32Å; A49-V147 HydrophobicContact CB-CG1 3.71Å; A49-V147 HydrophobicContact CB-CG2 4.16Å; K50-V147 HydrophobicContact CB-CG2 3.89Å; V147-I224 HydrophobicContact CG1-CG1 4.18Å; V147-R225 PolarHBondContact O-N 3.05Å
148C98.9Very high98.8Very high0 Ų020.8 Ų20.80%010%0.099CC..EExtended strand (participates in β ladder)trans-111.4143.3176.4-62.20000111G146 T174 L175 V176 K226G146-C148 PolarHBondContact O-N 3.11Å; C148-T174 PolarHBondContact N-O 2.71Å; C148-L175 CarbonylContact O-C 3.47Å; C148-L175 VanDerWaalsContact O-CA 3.24Å; C148-L175 WeakPolarHBondContact O-CA 3.29Å; C148-V176 PolarHBondContact O-N 3.44Å; C148-K226 CarbonylContact C-O 3.38Å; C148-K226 WeakPolarHBondContact CA-O 3.31Å; C148-K226 HydrophobicContact CB-CB 4.43Å
149A98.9Very high98.8Very high0 Ų020.9 Ų20.90%010%0.1CC..EExtended strand (participates in β ladder)trans-100.6139.4164.800000110V176 L218 I224 K226 L227 G228A149-V176 WeakPolarHBondContact CA-O 3.49Å; A149-L218 HydrophobicContact CB-CB 3.94Å; A149-L218 HydrophobicContact CB-CD1 4.25Å; A149-L218 HydrophobicContact CB-CD2 4.09Å; A149-L218 HydrophobicContact CB-CG 4.31Å; A149-I224 HydrophobicContact CB-CD1 3.91Å; A149-I224 HydrophobicContact CB-CG2 3.98Å; A149-K226 PolarHBondContact N-O 3.4Å; A149-L227 HydrophobicContact CB-CB 4.41Å; A149-L227 HydrophobicContact CB-CD1 4.32Å; A149-L227 HydrophobicContact CB-CG 4.01Å; A149-L227 CarbonylContact O-C 3.59Å; A149-L227 WeakPolarHBondContact O-CA 3.44Å; A149-G228 PolarHBondContact O-N 3.07Å
150I98.9Very high98.8Very high0 Ų018.2 Ų18.20%09%0.088CC..EExtended strand (participates in β ladder)trans-128.2124.9175.5-62.7176000108.1I152 K164 C168 L175 V176 L177 K178 G228I150-I152 HydrophobicContact CG2-CG2 3.74Å; I150-K164 HydrophobicContact CD1-CB 4Å; I150-K164 HydrophobicContact CG1-CB 4.47Å; I150-K164 HydrophobicContact CG2-CB 3.67Å; I150-K164 HydrophobicContact CG2-CD 3.72Å; I150-K164 HydrophobicContact CG2-CG 4.31Å; I150-C168 HydrophobicContact CD1-CB 4.09Å; I150-L175 HydrophobicContact CD1-CB 4.31Å; I150-L175 HydrophobicContact CD1-CD2 4.09Å; I150-V176 PolarHBondContact N-O 3.07Å; I150-L177 HydrophobicContact CB-CD1 4.36Å; I150-L177 HydrophobicContact CB-CG 4.49Å; I150-L177 HydrophobicContact CG2-CD1 4.1Å; I150-L177 HydrophobicContact CG2-CG 4.49Å; I150-L177 CarbonylContact O-C 3.57Å; I150-L177 WeakPolarHBondContact O-CA 3.42Å; I150-K178 PolarHBondContact O-N 3.47Å; I150-G228 WeakPolarHBondContact CA-O 3.39Å
151V98.9Very high98.8Very high10 Ų1017.3 Ų17.36%0.0618%0.082CC..EExtended strand (participates in β ladder)trans-118.2118.3176.3175.60000107.6K178 L218 G228 F229 T230V151-K178 HydrophobicContact CB-CD 4.46Å; V151-K178 HydrophobicContact CG1-CD 3.75Å; V151-K178 HydrophobicContact CG2-CB 4.26Å; V151-K178 HydrophobicContact CG2-CD 4.28Å; V151-L218 HydrophobicContact CG2-CD1 4.32Å; V151-G228 PolarHBondContact N-O 2.87Å; V151-F229 HydrophobicContact CB-CD2 3.8Å; V151-F229 HydrophobicContact CG1-CD2 3.57Å; V151-F229 HydrophobicContact CG1-CE2 3.82Å; V151-T230 PolarHBondContact O-N 3.48Å; V151-T230 VanDerWaalsContact O-N 3.13Å
152I98.8Very high98.8Very high5 Ų512.4 Ų12.43%0.0266%0.061CC..  trans-109.7152.1-173.761.6175.3000112I150 M160 L161 K164 L177 K178 P179 A180I150-I152 HydrophobicContact CG2-CG2 3.74Å; I152-M160 HydrophobicContact CB-CB 4.27Å; I152-M160 HydrophobicContact CG2-CB 4.41Å; I152-L161 HydrophobicContact CD1-CB 3.82Å; I152-K164 HydrophobicContact CG2-CD 4.42Å; I152-L177 HydrophobicContact CD1-CD2 4.03Å; I152-L177 HydrophobicContact CG1-CD2 4.48Å; I152-L177 HydrophobicContact CG2-CD1 4.42Å; I152-K178 PolarHBondContact N-O 3.19Å; I152-P179 HydrophobicContact CD1-CB 4.21Å; I152-P179 HydrophobicContact CG1-CB 4.39Å; I152-A180 PolarHBondContact O-N 2.95Å
153P98.8Very high98.8Very high11 Ų119.7 Ų9.77%0.0715%0.049CC..  trans-79.2-177.7174.339.7-42.3000110.8N155 M160 T230P153-N155 WeakPolarHBondContact CB-OD1 3.29Å; P153-N155 WeakPolarHBondContact CG-OD1 3.27Å; P153-M160 HydrophobicContact CG-CB 4.08Å; P153-M160 HydrophobicContact CG-CG 3.68Å; P153-T230 HydrophobicContact CB-CG2 4.03Å; P153-T230 HydrophobicContact CG-CG2 3.49Å; P153-T230 VanDerWaalsContact CG-CG2 3.49Å
154W98.8Very high98.8Very high51 Ų517.7 Ų7.719%0.1934%0.039CC..SBendtrans-103.5-7.9-174.343.3-96.4000114.4P157 A180 V182 T183 E286 N331 H332 H335 F387W154-P157 WeakPolarHBondContact O-CD 3.47Å; W154-P157 WeakPolarHBondContact O-CG 3.48Å; W154-A180 HydrophobicContact CB-CB 3.6Å; W154-A180 HydrophobicContact CG-CB 4.3Å; W154-V182 HydrophobicContact CB-CG2 3.6Å; W154-V182 HydrophobicContact CG-CG2 3.95Å; W154-T183 WeakPolarHBondContact CA-OG1 3.39Å; W154-T183 HydrophobicContact CB-CG2 3.98Å; W154-E286 HydrophobicContact CH2-CG 4.05Å; W154-E286 HydrophobicContact CZ3-CB 4.02Å; W154-E286 HydrophobicContact CZ3-CG 3.71Å; W154-E286 WeakPolarHBondContact CZ3-OE2 3.33Å; W154-N331 HydrophobicContact CE3-CB 3.5Å; W154-N331 VanDerWaalsContact CE3-CG 3.46Å; W154-N331 HydrophobicContact CZ3-CB 3.51Å; W154-N331 PolarHBondContact O-ND2 3.4Å; W154-H332 AromaticContact CE2-CE1 3.81Å; W154-H332 AromaticContact CZ2-CE1 3.96Å; W154-H335 HydrophobicContact CH2-CB 4.34Å; W154-H335 AromaticContact CH2-CD2 3.58Å; W154-H335 AromaticContact CH2-CE1 3.94Å; W154-H335 AromaticContact CH2-CG 3.66Å; W154-H335 AromaticContact CH2-ND1 3.88Å; W154-H335 AromaticContact CH2-NE2 3.74Å; W154-F387 HydrophobicContact CE3-CE1 4.43Å; W154-F387 AromaticContact CH2-CD1 3.36Å; W154-F387 HydrophobicContact CH2-CD1 3.36Å; W154-F387 AromaticContact CH2-CE1 3.39Å; W154-F387 HydrophobicContact CH2-CE1 3.39Å; W154-F387 AromaticContact CZ2-CD1 3.7Å; W154-F387 HydrophobicContact CZ2-CD1 3.7Å; W154-F387 AromaticContact CZ2-CE1 3.61Å; W154-F387 HydrophobicContact CZ2-CE1 3.61Å; W154-F387 HydrophobicContact CZ3-CD1 4.12Å; W154-F387 AromaticContact CZ3-CE1 3.82Å; W154-F387 HydrophobicContact CZ3-CE1 3.82Å
155N98.8Very high98.8Very high2 Ų26.2 Ų6.21%0.0113%0.03CC..SBendtrans-79.7-31.7-169.864.9-42.5000114.5P153 N283 E286 F387P153-N155 WeakPolarHBondContact CB-OD1 3.29Å; P153-N155 WeakPolarHBondContact CG-OD1 3.27Å; N155-N283 PolarHBondContact O-ND2 3.37Å; N155-E286 HydrophobicContact CB-CB 3.99Å; N155-E286 WeakPolarHBondContact CB-O 3.15Å; N155-E286 PolarHBondContact ND2-O 2.71Å; N155-F387 HydrophobicContact CB-CE1 3.71Å; N155-F387 HydrophobicContact CB-CZ 3.69Å; N155-F387 WeakPolarHBondContact ND2-CZ 3.12Å
156Y98.9Very high98.9Very high4 Ų45.3 Ų5.32%0.0163%0.025CC..SBendtrans-136.874.9166.7-55.7-92.8000109.2H103 L158 M159 M160 F282 N283 E286 N287H103-Y156 AromaticContact CD2-CD1 3.54Å; H103-Y156 AromaticContact CE1-CD1 3.42Å; H103-Y156 VanDerWaalsContact CE1-CD1 3.42Å; H103-Y156 WeakPolarHBondContact CE1-CD1 3.36Å; H103-Y156 AromaticContact CE1-CE1 3.58Å; H103-Y156 AromaticContact CG-CD1 3.92Å; H103-Y156 AromaticContact ND1-CD1 3.85Å; H103-Y156 AromaticContact NE2-CD1 3.19Å; H103-Y156 WeakPolarHBondContact NE2-CD1 3.36Å; H103-Y156 AromaticContact NE2-CE1 3.73Å; Y156-L158 PolarHBondContact O-N 3.05Å; Y156-M159 HydrophobicContact CD1-CE 3.71Å; Y156-M159 HydrophobicContact CD1-SD 4.42Å; Y156-M159 HydrophobicContact CD2-CE 3.9Å; Y156-M159 HydrophobicContact CE1-CE 4.21Å; Y156-M159 HydrophobicContact CE2-CE 4.35Å; Y156-M159 HydrophobicContact CG-CE 3.58Å; Y156-M159 PolarHBondContact O-N 2.96Å; Y156-M160 WeakPolarHBondContact O-CB 3.29Å; Y156-M160 WeakPolarHBondContact O-CG 3.45Å; Y156-M160 PolarHBondContact O-N 3.12Å; Y156-F282 HydrophobicContact CE1-CE1 4.17Å; Y156-F282 VanDerWaalsContact OH-CD1 3.29Å; Y156-F282 WeakPolarHBondContact OH-CD1 3.46Å; Y156-F282 VanDerWaalsContact OH-CE1 3.27Å; Y156-F282 WeakPolarHBondContact OH-CE1 3.44Å; Y156-N283 HydrophobicContact CE1-CB 3.77Å; Y156-N283 WeakPolarHBondContact CE1-ND2 3.38Å; Y156-N283 WeakPolarHBondContact OH-CB 3.16Å; Y156-E286 WeakPolarHBondContact CE2-O 3.47Å; Y156-N287 HydrophobicContact CE2-CB 4.34Å
157P98.9Very high98.9Very high1 Ų15.2 Ų5.21%0.0062%0.024CC..Hα-helixtrans-52.2-52.1-168-27.433.7000114E88 W154 L161 T183E88-P157 VanDerWaalsContact OE1-CD 3.23Å; E88-P157 WeakPolarHBondContact OE1-CD 3.46Å; W154-P157 WeakPolarHBondContact O-CD 3.47Å; W154-P157 WeakPolarHBondContact O-CG 3.48Å; P157-L161 WeakPolarHBondContact O-CB 3.18Å; P157-L161 PolarHBondContact O-N 2.86Å; P157-T183 VanDerWaalsContact CG-CB 3.43Å; P157-T183 HydrophobicContact CG-CG2 3.79Å; P157-T183 WeakPolarHBondContact CG-OG1 3.42Å
158L98.9Very high98.9Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-73-37.5-179.6-175.263.2000112.3L84 E88 V104 S107 Y156 L161 A162 F190L84-L158 HydrophobicContact CB-CD2 4.2Å; L84-L158 HydrophobicContact CD1-CD2 4.13Å; L84-L158 HydrophobicContact CD2-CD2 4.15Å; L84-L158 HydrophobicContact CG-CD2 4.4Å; E88-L158 WeakPolarHBondContact OE1-CB 3.25Å; E88-L158 PolarHBondContact OE1-N 3.43Å; V104-L158 HydrophobicContact CB-CD2 4.48Å; V104-L158 HydrophobicContact CG1-CD2 4.49Å; V104-L158 HydrophobicContact CG2-CD2 4.03Å; S107-L158 PolarHBondContact OG-O 3.26Å; Y156-L158 PolarHBondContact O-N 3.05Å; L158-L161 HydrophobicContact CD1-CD2 4.48Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.4Å; L158-A162 WeakPolarHBondContact O-CB 3.23Å; L158-A162 PolarHBondContact O-N 3.02Å; L158-F190 HydrophobicContact CD1-CB 4.08Å
159M98.9Very high98.9Very high9 Ų95 Ų54%0.0442%0.023CC..Hα-helixtrans-67.7-44.6-176.9-161.3174.874.500112.3T102 M106 S107 Y156 L161 A162 W163T102-M159 HydrophobicContact CG2-SD 3.95Å; M106-M159 HydrophobicContact CB-CG 4.33Å; M106-M159 HydrophobicContact CB-SD 3.97Å; M106-M159 HydrophobicContact CG-SD 4.31Å; M106-M159 HydrophobicContact SD-CG 4.49Å; M106-M159 HydrophobicContact SD-SD 3.72Å; S107-M159 VanDerWaalsContact OG-CA 3.24Å; S107-M159 WeakPolarHBondContact OG-CA 3.33Å; S107-M159 PolarHBondContact OG-N 3.21Å; Y156-M159 HydrophobicContact CD1-CE 3.71Å; Y156-M159 HydrophobicContact CD1-SD 4.42Å; Y156-M159 HydrophobicContact CD2-CE 3.9Å; Y156-M159 HydrophobicContact CE1-CE 4.21Å; Y156-M159 HydrophobicContact CE2-CE 4.35Å; Y156-M159 HydrophobicContact CG-CE 3.58Å; Y156-M159 PolarHBondContact O-N 2.96Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-A162 PolarHBondContact O-N 2.93Å; M159-A162 VanDerWaalsContact O-N 3.14Å; M159-W163 HydrophobicContact CE-CZ2 3.97Å; M159-W163 PolarHBondContact O-N 2.88Å; M159-W163 HydrophobicContact SD-CZ2 4.49Å
160M98.9Very high98.9Very high2 Ų25 Ų51%0.012%0.023CC..Hα-helixtrans-69.9-32.8177.3-65.8-63.5103.700111.9I152 P153 Y156 W163 K164I152-M160 HydrophobicContact CB-CB 4.27Å; I152-M160 HydrophobicContact CG2-CB 4.41Å; P153-M160 HydrophobicContact CG-CB 4.08Å; P153-M160 HydrophobicContact CG-CG 3.68Å; Y156-M160 WeakPolarHBondContact O-CB 3.29Å; Y156-M160 WeakPolarHBondContact O-CG 3.45Å; Y156-M160 PolarHBondContact O-N 3.12Å; M160-W163 HydrophobicContact CE-CD2 3.53Å; M160-W163 HydrophobicContact CE-CE3 3.54Å; M160-W163 HydrophobicContact CE-CG 4.1Å; M160-W163 HydrophobicContact CE-CH2 4Å; M160-W163 HydrophobicContact CE-CZ2 3.98Å; M160-W163 HydrophobicContact CE-CZ3 3.78Å; M160-W163 HydrophobicContact SD-CE3 4.25Å; M160-K164 PolarHBondContact O-N 2.97Å
161L98.9Very high98.9Very high0 Ų05.1 Ų5.10%02%0.024CC..Hα-helixtrans-56.8-51.4166.4177.4155.9000110.5I152 P157 L158 M159 S165 L177 A187 F190I152-L161 HydrophobicContact CD1-CB 3.82Å; P157-L161 WeakPolarHBondContact O-CB 3.18Å; P157-L161 PolarHBondContact O-N 2.86Å; L158-L161 HydrophobicContact CD1-CD2 4.48Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.4Å; M159-L161 VanDerWaalsContact C-N 3.32Å; L161-S165 WeakPolarHBondContact O-CB 3.11Å; L161-S165 PolarHBondContact O-N 3.25Å; L161-S165 PolarHBondContact O-OG 3.12Å; L161-L177 HydrophobicContact CB-CD1 4.25Å; L161-L177 HydrophobicContact CD1-CD1 3.87Å; L161-L177 HydrophobicContact CD1-CD2 4.09Å; L161-L177 HydrophobicContact CG-CD1 3.62Å; L161-A187 HydrophobicContact CD1-CB 3.68Å; L161-F190 HydrophobicContact CD1-CB 4.47Å; L161-F190 HydrophobicContact CD1-CD1 3.9Å; L161-F190 HydrophobicContact CD1-CE1 4.48Å; L161-F190 HydrophobicContact CD1-CG 4.28Å; L161-F190 HydrophobicContact CD2-CD1 3.74Å; L161-F190 HydrophobicContact CD2-CD2 4.01Å; L161-F190 HydrophobicContact CD2-CE1 3.76Å; L161-F190 HydrophobicContact CD2-CE2 4.02Å; L161-F190 HydrophobicContact CD2-CG 3.87Å; L161-F190 HydrophobicContact CD2-CZ 3.9Å; L161-F190 HydrophobicContact CG-CD1 4.44Å
162A98.9Very high98.9Very high0 Ų04.6 Ų4.60%02%0.021CC..Hα-helixtrans-64.1-46-175.900000112.1T110 F111 L158 M159 K164 S165 A166T110-A162 HydrophobicContact CG2-CB 4.45Å; T110-A162 WeakPolarHBondContact CG2-O 3.34Å; F111-A162 HydrophobicContact CD2-CB 4.09Å; F111-A162 HydrophobicContact CE2-CB 3.69Å; L158-A162 WeakPolarHBondContact O-CB 3.23Å; L158-A162 PolarHBondContact O-N 3.02Å; M159-A162 PolarHBondContact O-N 2.93Å; M159-A162 VanDerWaalsContact O-N 3.14Å; A162-K164 PolarHBondContact O-N 2.77Å; A162-S165 PolarHBondContact O-N 2.93Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.35Å
163W98.8Very high98.9Very high7 Ų74.4 Ų4.43%0.0272%0.019CC..Hα-helixtrans-52.8-51.1179.7-77.124.6000112.2M106 M159 M160 T447 F453 D464 L465M106-W163 HydrophobicContact CE-CZ2 3.51Å; M106-W163 HydrophobicContact SD-CZ2 3.76Å; M159-W163 HydrophobicContact CE-CZ2 3.97Å; M159-W163 PolarHBondContact O-N 2.88Å; M159-W163 HydrophobicContact SD-CZ2 4.49Å; M160-W163 HydrophobicContact CE-CD2 3.53Å; M160-W163 HydrophobicContact CE-CE3 3.54Å; M160-W163 HydrophobicContact CE-CG 4.1Å; M160-W163 HydrophobicContact CE-CH2 4Å; M160-W163 HydrophobicContact CE-CZ2 3.98Å; M160-W163 HydrophobicContact CE-CZ3 3.78Å; M160-W163 HydrophobicContact SD-CE3 4.25Å; W163-T447 HydrophobicContact CH2-CG2 4.31Å; W163-F453 HydrophobicContact CE3-CD1 4.19Å; W163-F453 HydrophobicContact CH2-CD1 4.36Å; W163-F453 HydrophobicContact CZ3-CB 4.32Å; W163-F453 AromaticContact CZ3-CD1 3.44Å; W163-F453 HydrophobicContact CZ3-CD1 3.44Å; W163-F453 VanDerWaalsContact CZ3-CD1 3.44Å; W163-F453 AromaticContact CZ3-CE1 3.9Å; W163-F453 HydrophobicContact CZ3-CE1 3.9Å; W163-F453 AromaticContact CZ3-CG 3.94Å; W163-F453 HydrophobicContact CZ3-CG 3.94Å; W163-D464 HydrophobicContact CB-CB 4.43Å; W163-D464 HydrophobicContact CE3-CB 4.07Å; W163-L465 HydrophobicContact CB-CD2 4.26Å; W163-L465 HydrophobicContact CD2-CD1 3.87Å; W163-L465 HydrophobicContact CD2-CD2 3.76Å; W163-L465 HydrophobicContact CD2-CG 3.81Å; W163-L465 HydrophobicContact CE3-CD1 3.99Å; W163-L465 HydrophobicContact CE3-CD2 4.42Å; W163-L465 HydrophobicContact CE3-CG 3.98Å; W163-L465 HydrophobicContact CG-CD2 3.66Å; W163-L465 HydrophobicContact CG-CG 4.21Å; W163-L465 HydrophobicContact CH2-CD1 3.76Å; W163-L465 HydrophobicContact CZ2-CD1 3.63Å; W163-L465 HydrophobicContact CZ2-CG 4.49Å; W163-L465 HydrophobicContact CZ3-CD1 3.94Å; W163-L465 HydrophobicContact CZ3-CG 4.38Å
164K98.9Very high98.9Very high3 Ų33.9 Ų3.91%0.0132%0.016CC..Hα-helixtrans-78.8-41.3-177.4-62.8-171.8-173.5-60.30112.3I150 I152 M160 A162 C168 T230 D464 Y473I150-K164 HydrophobicContact CD1-CB 4Å; I150-K164 HydrophobicContact CG1-CB 4.47Å; I150-K164 HydrophobicContact CG2-CB 3.67Å; I150-K164 HydrophobicContact CG2-CD 3.72Å; I150-K164 HydrophobicContact CG2-CG 4.31Å; I152-K164 HydrophobicContact CG2-CD 4.42Å; M160-K164 PolarHBondContact O-N 2.97Å; A162-K164 PolarHBondContact O-N 2.77Å; K164-C168 VanDerWaalsContact O-CB 3.24Å; K164-C168 WeakPolarHBondContact O-CB 3.32Å; K164-C168 PolarHBondContact O-N 2.98Å; K164-T230 WeakPolarHBondContact CE-OG1 3.18Å; K164-T230 PolarHBondContact NZ-OG1 2.91Å; K164-D464 WeakPolarHBondContact CG-OD1 2.75Å; K164-D464 IonicContact NZ-OD1 3.85Å; K164-D464 PolarHBondContact NZ-OD1 3.17Å; K164-D464 IonicContact NZ-OD2 2.7Å; K164-D464 PolarHBondContact NZ-OD2 3.05Å; K164-Y473 PolarHBondContact O-OH 3.02Å
165S98.9Very high98.9Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-74.1-38.5-172.7-55.20000112.2L161 A162 C168 L169L161-S165 WeakPolarHBondContact O-CB 3.11Å; L161-S165 PolarHBondContact O-N 3.25Å; L161-S165 PolarHBondContact O-OG 3.12Å; A162-S165 PolarHBondContact O-N 2.93Å; S165-C168 WeakPolarHBondContact O-CB 3.41Å; S165-C168 PolarHBondContact O-N 2.82Å; S165-L169 WeakPolarHBondContact O-CB 3.23Å; S165-L169 WeakPolarHBondContact O-CG 3.43Å; S165-L169 PolarHBondContact O-N 2.83Å
166A98.9Very high98.9Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-64.4-46.2-177.100000112T110 F111 F114 A162 L169 A170T110-A166 HydrophobicContact CG2-CB 3.83Å; F111-A166 HydrophobicContact CD1-CB 3.82Å; F111-A166 HydrophobicContact CD2-CB 4.5Å; F111-A166 HydrophobicContact CE1-CB 3.94Å; F111-A166 HydrophobicContact CG-CB 4.11Å; F111-A166 HydrophobicContact CZ-CB 4.32Å; F114-A166 HydrophobicContact CB-CB 4.01Å; F114-A166 HydrophobicContact CD2-CB 3.66Å; F114-A166 HydrophobicContact CG-CB 4.19Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.35Å; A166-L169 PolarHBondContact O-N 3Å; A166-A170 VanDerWaalsContact O-CB 3.24Å; A166-A170 WeakPolarHBondContact O-CB 3.5Å; A166-A170 PolarHBondContact O-N 3.36Å
167A98.9Very high98.9Very high0 Ų01.2 Ų1.20%01%0.006CC..Hα-helixtrans-63.2-43.2174.800000111.9F114 L169 A170 A171 A469 Y473F114-A167 HydrophobicContact CD1-CB 4.01Å; F114-A167 HydrophobicContact CD2-CB 4.27Å; F114-A167 HydrophobicContact CE1-CB 3.71Å; F114-A167 HydrophobicContact CE2-CB 3.99Å; F114-A167 HydrophobicContact CG-CB 4.29Å; F114-A167 HydrophobicContact CZ-CB 3.7Å; A167-L169 PolarHBondContact O-N 3.43Å; A167-A170 PolarHBondContact O-N 2.99Å; A167-A171 WeakPolarHBondContact O-CB 3Å; A167-A171 PolarHBondContact O-N 2.83Å; A167-A469 HydrophobicContact CB-CB 4.01Å; A167-Y473 HydrophobicContact CB-CD2 3.97Å; A167-Y473 HydrophobicContact CB-CE2 4.06Å
168C98.9Very high98.9Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-56.9-50.1176.9-178.10000112.1I150 K164 S165 G172 N173 Y473I150-C168 HydrophobicContact CD1-CB 4.09Å; K164-C168 VanDerWaalsContact O-CB 3.24Å; K164-C168 WeakPolarHBondContact O-CB 3.32Å; K164-C168 PolarHBondContact O-N 2.98Å; S165-C168 WeakPolarHBondContact O-CB 3.41Å; S165-C168 PolarHBondContact O-N 2.82Å; C168-G172 PolarHBondContact O-N 2.85Å; C168-N173 WeakPolarHBondContact O-CB 3.25Å; C168-N173 PolarHBondContact O-N 2.84Å; C168-N173 PolarHBondContact O-ND2 2.86Å; C168-Y473 HydrophobicContact CB-CD1 3.63Å; C168-Y473 HydrophobicContact CB-CD2 4.42Å; C168-Y473 HydrophobicContact CB-CE1 3.45Å; C168-Y473 VanDerWaalsContact CB-CE1 3.45Å; C168-Y473 HydrophobicContact CB-CE2 4.31Å; C168-Y473 HydrophobicContact CB-CG 4.13Å
169L98.9Very high98.9Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-70.4-41.9-178.9-68.3171000111.6W58 R66 L70 F111 S165 A166 A167 A171 G172 L175 V203 I204W58-L169 HydrophobicContact CZ2-CB 4.03Å; W58-L169 HydrophobicContact CZ2-CD2 3.95Å; R66-L169 WeakPolarHBondContact CD-O 3.42Å; L70-L169 HydrophobicContact CD1-CB 4.27Å; L70-L169 HydrophobicContact CD2-CB 3.95Å; L70-L169 HydrophobicContact CD2-CD1 4.1Å; F111-L169 HydrophobicContact CE1-CD1 4.18Å; S165-L169 WeakPolarHBondContact O-CB 3.23Å; S165-L169 WeakPolarHBondContact O-CG 3.43Å; S165-L169 PolarHBondContact O-N 2.83Å; A166-L169 PolarHBondContact O-N 3Å; A167-L169 PolarHBondContact O-N 3.43Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 3.18Å; L169-G172 WeakPolarHBondContact O-CA 3.28Å; L169-G172 PolarHBondContact O-N 2.93Å; L169-L175 HydrophobicContact CD1-CD2 4.13Å; L169-L175 HydrophobicContact CD2-CD2 3.86Å; L169-L175 HydrophobicContact CD2-CG 4.5Å; L169-L175 HydrophobicContact CG-CD2 3.79Å; L169-V203 HydrophobicContact CD2-CG1 3.55Å; L169-I204 HydrophobicContact CD1-CD1 3.85Å; L169-I204 HydrophobicContact CD1-CG1 4.16Å; L169-I204 HydrophobicContact CD2-CG1 4.16Å
170A98.9Very high98.9Very high0 Ų01.6 Ų1.60%01%0.01CC..Hα-helixtrans-59.4-41.1177.200000112R66 L70 F114 C118 A166 A167 G172 L470R66-A170 PolarHBondContact NH1-O 2.8Å; L70-A170 HydrophobicContact CD1-CB 3.99Å; F114-A170 HydrophobicContact CB-CB 3.88Å; F114-A170 VanDerWaalsContact O-CB 3.26Å; F114-A170 WeakPolarHBondContact O-CB 3.47Å; C118-A170 VanDerWaalsContact SG-CA 3.54Å; A166-A170 VanDerWaalsContact O-CB 3.24Å; A166-A170 WeakPolarHBondContact O-CB 3.5Å; A166-A170 PolarHBondContact O-N 3.36Å; A167-A170 PolarHBondContact O-N 2.99Å; A170-G172 PolarHBondContact O-N 3.47Å; A170-G172 VanDerWaalsContact O-N 3.16Å; A170-L470 HydrophobicContact CB-CD2 4.29Å
171A98.9Very high98.9Very high2 Ų25 Ų52%0.0173%0.025CC..THydrogen-bonded Turntrans-65.8-11.5173.200000114.1P144 A167 L169 N173 L474P144-A171 WeakPolarHBondContact CB-O 3.48Å; P144-A171 WeakPolarHBondContact CG-O 3.29Å; A167-A171 WeakPolarHBondContact O-CB 3Å; A167-A171 PolarHBondContact O-N 2.83Å; L169-A171 VanDerWaalsContact C-N 3.28Å; L169-A171 PolarHBondContact O-N 3.18Å; A171-N173 WeakPolarHBondContact CB-ND2 3.27Å; A171-L474 HydrophobicContact CB-CD2 3.87Å; A171-L474 HydrophobicContact CB-CG 4Å
172G98.8Very high98.8Very high0 Ų07.2 Ų7.20%04%0.039CC..THydrogen-bonded Turntrans94.416.1173.700000115.3F53 R66 C168 L169 A170F53-G172 WeakPolarHBondContact CE2-O 3.28Å; R66-G172 VanDerWaalsContact NH1-N 3.13Å; C168-G172 PolarHBondContact O-N 2.85Å; L169-G172 WeakPolarHBondContact O-CA 3.28Å; L169-G172 PolarHBondContact O-N 2.93Å; A170-G172 PolarHBondContact O-N 3.47Å; A170-G172 VanDerWaalsContact O-N 3.16Å
173N98.9Very high98.8Very high0 Ų07.2 Ų7.20%04%0.039CC..  trans-82.5165.2175.9-57.4-76.5000110.7W58 P144 L145 G146 C168 A171 Y473W58-N173 PolarHBondContact NE1-O 3.31Å; P144-N173 WeakPolarHBondContact CB-OD1 3.48Å; L145-N173 WeakPolarHBondContact CA-OD1 3.43Å; L145-N173 PolarHBondContact N-OD1 3.34Å; G146-N173 PolarHBondContact N-OD1 3.46Å; G146-N173 VanDerWaalsContact O-CB 3.28Å; G146-N173 WeakPolarHBondContact O-CB 3.37Å; G146-N173 PolarHBondContact O-OD1 3.29Å; C168-N173 WeakPolarHBondContact O-CB 3.25Å; C168-N173 PolarHBondContact O-N 2.84Å; C168-N173 PolarHBondContact O-ND2 2.86Å; A171-N173 WeakPolarHBondContact CB-ND2 3.27Å; N173-Y473 PolarHBondContact ND2-O 3.33Å
174T98.9Very high98.8Very high0 Ų06.9 Ų6.90%04%0.038CC..EExtended strand (participates in β ladder)trans-105.6158.2162.857.30000108.8A49 A52 F53 G146 C148 V203A49-T174 WeakPolarHBondContact O-CB 3.48Å; A49-T174 PolarHBondContact O-OG1 2.72Å; A52-T174 HydrophobicContact CB-CG2 4.06Å; F53-T174 HydrophobicContact CB-CG2 3.82Å; F53-T174 HydrophobicContact CD2-CG2 4.5Å; G146-T174 PolarHBondContact O-N 3.45Å; C148-T174 PolarHBondContact N-O 2.71Å; T174-V203 WeakPolarHBondContact CA-O 3.23Å; T174-V203 HydrophobicContact CG2-CB 4.36Å; T174-V203 HydrophobicContact CG2-CG1 4.38Å; T174-V203 HydrophobicContact CG2-CG2 4.22Å
175L98.6Very high98.8Very high1 Ų16.8 Ų6.81%0.0054%0.037CC..EExtended strand (participates in β ladder)trans-135.6146.7-174.567.589.9000114.4C148 I150 L169 L177 V203 I204 N205C148-L175 CarbonylContact O-C 3.47Å; C148-L175 VanDerWaalsContact O-CA 3.24Å; C148-L175 WeakPolarHBondContact O-CA 3.29Å; I150-L175 HydrophobicContact CD1-CB 4.31Å; I150-L175 HydrophobicContact CD1-CD2 4.09Å; L169-L175 HydrophobicContact CD1-CD2 4.13Å; L169-L175 HydrophobicContact CD2-CD2 3.86Å; L169-L175 HydrophobicContact CD2-CG 4.5Å; L169-L175 HydrophobicContact CG-CD2 3.79Å; L175-L177 HydrophobicContact CD1-CB 3.75Å; L175-V203 PolarHBondContact N-O 3.02Å; L175-I204 HydrophobicContact CD1-CG1 4.5Å; L175-I204 HydrophobicContact CD1-CG2 4.18Å; L175-I204 HydrophobicContact CD2-CG1 4.49Å; L175-I204 HydrophobicContact CG-CG1 4.36Å; L175-N205 PolarHBondContact O-N 3.24Å; L175-N205 PolarHBondContact O-ND2 3.38Å
176V98.9Very high98.8Very high0 Ų06.8 Ų6.80%04%0.037CC..EExtended strand (participates in β ladder)trans-114112.5161.9-174.60000107.5A45 V46 A49 C148 A149 I150 N205 L207 L218A45-V176 HydrophobicContact CB-CG1 3.86Å; A45-V176 HydrophobicContact CB-CG2 4.13Å; V46-V176 HydrophobicContact CG2-CG2 3.92Å; A49-V176 HydrophobicContact CB-CG2 3.96Å; C148-V176 PolarHBondContact O-N 3.44Å; A149-V176 WeakPolarHBondContact CA-O 3.49Å; I150-V176 PolarHBondContact N-O 3.07Å; V176-N205 HydrophobicContact CG2-CB 4.35Å; V176-L207 HydrophobicContact CG1-CD1 3.69Å; V176-L207 HydrophobicContact CG1-CG 4.17Å; V176-L218 HydrophobicContact CB-CD2 4.01Å; V176-L218 HydrophobicContact CG1-CD2 3.73Å
177L98.9Very high98.8Very high1 Ų16.9 Ų6.91%0.0054%0.038CC..EExtended strand (participates in β ladder)trans-102.1137.1-176.6-174.4141.2000110.8I150 I152 L161 L175 P179 A187 N205 I206 L207I150-L177 HydrophobicContact CB-CD1 4.36Å; I150-L177 HydrophobicContact CB-CG 4.49Å; I150-L177 HydrophobicContact CG2-CD1 4.1Å; I150-L177 HydrophobicContact CG2-CG 4.49Å; I150-L177 CarbonylContact O-C 3.57Å; I150-L177 WeakPolarHBondContact O-CA 3.42Å; I152-L177 HydrophobicContact CD1-CD2 4.03Å; I152-L177 HydrophobicContact CG1-CD2 4.48Å; I152-L177 HydrophobicContact CG2-CD1 4.42Å; L161-L177 HydrophobicContact CB-CD1 4.25Å; L161-L177 HydrophobicContact CD1-CD1 3.87Å; L161-L177 HydrophobicContact CD1-CD2 4.09Å; L161-L177 HydrophobicContact CG-CD1 3.62Å; L175-L177 HydrophobicContact CD1-CB 3.75Å; L177-P179 HydrophobicContact CD2-CB 4.38Å; L177-A187 HydrophobicContact CD2-CB 4.36Å; L177-N205 PolarHBondContact N-O 3.34Å; L177-I206 HydrophobicContact CB-CG1 4.36Å; L177-I206 HydrophobicContact CD2-CG1 4.48Å; L177-I206 HydrophobicContact CD2-CG2 3.94Å; L177-I206 CarbonylContact O-C 3.52Å; L177-I206 WeakPolarHBondContact O-CA 3.28Å; L177-L207 PolarHBondContact O-N 3.05Å
178K98.9Very high98.8Very high6 Ų66.9 Ų6.93%0.0264%0.038CC..EExtended strand (participates in β ladder)trans-116.4107.5172.4179.5-107.7178.958.10108.7I150 V151 I152 G209 S210 V214 L218I150-K178 PolarHBondContact O-N 3.47Å; V151-K178 HydrophobicContact CB-CD 4.46Å; V151-K178 HydrophobicContact CG1-CD 3.75Å; V151-K178 HydrophobicContact CG2-CB 4.26Å; V151-K178 HydrophobicContact CG2-CD 4.28Å; I152-K178 PolarHBondContact N-O 3.19Å; K178-G209 WeakPolarHBondContact CE-O 3.46Å; K178-G209 PolarHBondContact NZ-O 3.05Å; K178-G209 VanDerWaalsContact NZ-O 3.1Å; K178-S210 PolarHBondContact NZ-O 3.38Å; K178-V214 HydrophobicContact CB-CG1 4.02Å; K178-V214 HydrophobicContact CG-CB 4.15Å; K178-V214 HydrophobicContact CG-CG1 3.68Å; K178-L218 HydrophobicContact CB-CD1 3.96Å
179P98.9Very high98.8Very high0 Ų07.2 Ų7.20%04%0.039CC..  trans-67.8159.1170.131.5-30.9000110I152 L177 P184 A187 I206 L207 P208I152-P179 HydrophobicContact CD1-CB 4.21Å; I152-P179 HydrophobicContact CG1-CB 4.39Å; L177-P179 HydrophobicContact CD2-CB 4.38Å; P179-P184 HydrophobicContact CG-CB 4.31Å; P179-A187 HydrophobicContact CB-CB 4.01Å; P179-A187 HydrophobicContact CG-CB 4.32Å; P179-I206 HydrophobicContact CG-CG2 4.21Å; P179-L207 WeakPolarHBondContact CD-O 3.43Å; P179-P208 HydrophobicContact CG-CB 4.38Å; P179-P208 HydrophobicContact CG-CG 4.39Å
180A98.7Very high98.8Very high12 Ų127.3 Ų7.310%0.0994%0.04CC..  trans-59.1141.9166.400000109.5I152 W154 V182 T183I152-A180 PolarHBondContact O-N 2.95Å; W154-A180 HydrophobicContact CB-CB 3.6Å; W154-A180 HydrophobicContact CG-CB 4.3Å; A180-V182 PolarHBondContact O-N 3.4Å; A180-T183 PolarHBondContact O-N 3.46Å
181Q98.6Very high98.8Very high73 Ų737.3 Ų7.334%0.3414%0.04SC..THydrogen-bonded Turntrans-60-32.3-174.9-173.6-178.5-51.200111.7Y20 S210Y20-Q181 HydrophobicContact CD2-CG 3.99Å; Y20-Q181 HydrophobicContact CE1-CG 4.45Å; Y20-Q181 HydrophobicContact CE2-CG 3.56Å; Y20-Q181 WeakPolarHBondContact CE2-O 3.31Å; Y20-Q181 PolarHBondContact OH-O 2.82Å; Y20-Q181 VanDerWaalsContact OH-O 3.04Å; Q181-S210 VanDerWaalsContact OE1-CA 3.3Å
182V98.8Very high98.8Very high46 Ų469.5 Ų9.528%0.2795%0.05SC..THydrogen-bonded Turntrans-82-9.2-176.7-66.20000114.4W154 A180 N331 H332W154-V182 HydrophobicContact CB-CG2 3.6Å; W154-V182 HydrophobicContact CG-CG2 3.95Å; A180-V182 PolarHBondContact O-N 3.4Å; V182-N331 WeakPolarHBondContact CG2-OD1 3.5Å; V182-H332 HydrophobicContact CB-CB 4.47Å; V182-H332 HydrophobicContact CG1-CB 4.28Å
183T98.8Very high98.9Very high1 Ų19.5 Ų9.51%0.0065%0.05CC..  trans-142.663.8-176.857.10000112.9D91 W154 P157 A180 N331D91-T183 WeakPolarHBondContact OD2-CA 3.34Å; W154-T183 WeakPolarHBondContact CA-OG1 3.39Å; W154-T183 HydrophobicContact CB-CG2 3.98Å; P157-T183 VanDerWaalsContact CG-CB 3.43Å; P157-T183 HydrophobicContact CG-CG2 3.79Å; P157-T183 WeakPolarHBondContact CG-OG1 3.42Å; A180-T183 PolarHBondContact O-N 3.46Å; T183-N331 WeakPolarHBondContact CG2-ND2 3.26Å
184P98.8Very high98.8Very high0 Ų09.7 Ų9.70%05%0.051CC..  trans-85-18.6-174.434.7-36.1000114.3V34 D91 P179 A187 L188 P208V34-P184 HydrophobicContact CB-CG 4.36Å; V34-P184 HydrophobicContact CG1-CB 4.12Å; V34-P184 HydrophobicContact CG1-CG 4.01Å; V34-P184 HydrophobicContact CG2-CG 3.84Å; D91-P184 WeakPolarHBondContact OD2-CD 3.41Å; D91-P184 VanDerWaalsContact OD2-N 3.15Å; P179-P184 HydrophobicContact CG-CB 4.31Å; P184-A187 PolarHBondContact O-N 3.49Å; P184-L188 WeakPolarHBondContact O-CG 3.43Å; P184-L188 PolarHBondContact O-N 3.36Å; P184-P208 HydrophobicContact CB-CB 4Å; P184-P208 HydrophobicContact CB-CG 4.27Å
185L98.9Very high98.8Very high1 Ų113.1 Ų13.11%0.0057%0.072CC..Hα-helixtrans-74-41.2-154.7-63.5-178.8000114M1 T22 I31 V34 I87 D91 A187 L188 K189M1-L185 HydrophobicContact CE-CD1 3.51Å; M1-L185 HydrophobicContact CE-CD2 3.89Å; M1-L185 HydrophobicContact CE-CG 4.19Å; M1-L185 HydrophobicContact SD-CB 4.04Å; M1-L185 HydrophobicContact SD-CD1 3.94Å; M1-L185 HydrophobicContact SD-CD2 4.3Å; M1-L185 HydrophobicContact SD-CG 4.32Å; T22-L185 HydrophobicContact CG2-CD1 3.99Å; T22-L185 HydrophobicContact CG2-CD2 4.17Å; T22-L185 HydrophobicContact CG2-CG 4.15Å; I31-L185 HydrophobicContact CD1-CD1 4.14Å; I31-L185 HydrophobicContact CG2-CD1 3.91Å; V34-L185 HydrophobicContact CG2-CD2 4Å; I87-L185 HydrophobicContact CG2-CB 3.5Å; I87-L185 VanDerWaalsContact CG2-CB 3.5Å; D91-L185 HydrophobicContact CB-CB 4.21Å; D91-L185 HydrophobicContact CB-CD1 3.97Å; D91-L185 HydrophobicContact CB-CG 4.3Å; D91-L185 WeakPolarHBondContact OD1-CD1 3.48Å; D91-L185 WeakPolarHBondContact OD1-CG 3.25Å; D91-L185 VanDerWaalsContact OD2-CB 3.31Å; D91-L185 WeakPolarHBondContact OD2-CB 3.45Å; D91-L185 WeakPolarHBondContact OD2-CG 3.31Å; D91-L185 PolarHBondContact OD2-N 2.93Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.82Å; L185-L188 PolarHBondContact O-N 3.33Å; L185-K189 PolarHBondContact O-N 2.9Å
186T98.9Very high98.8Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-69.7-30.1176.948.50000112.7I87 E88 K189 F190I87-T186 HydrophobicContact CB-CG2 3.81Å; I87-T186 HydrophobicContact CG2-CG2 3.51Å; E88-T186 HydrophobicContact CB-CG2 3.99Å; E88-T186 VanDerWaalsContact OE2-CB 3.23Å; E88-T186 WeakPolarHBondContact OE2-CB 3.31Å; E88-T186 WeakPolarHBondContact OE2-CG2 3.44Å; E88-T186 PolarHBondContact OE2-OG1 3.2Å; T186-K189 PolarHBondContact O-N 2.75Å; T186-F190 VanDerWaalsContact O-CB 3.31Å; T186-F190 WeakPolarHBondContact O-CB 3.46Å; T186-F190 PolarHBondContact O-N 2.65Å
187A98.9Very high98.8Very high1 Ų117.3 Ų17.31%0.0089%0.09CC..Hα-helixtrans-63.4-43.7171.500000111.1L161 L177 P179 P184 L185 F190 A191 I206L161-A187 HydrophobicContact CD1-CB 3.68Å; L177-A187 HydrophobicContact CD2-CB 4.36Å; P179-A187 HydrophobicContact CB-CB 4.01Å; P179-A187 HydrophobicContact CG-CB 4.32Å; P184-A187 PolarHBondContact O-N 3.49Å; L185-A187 VanDerWaalsContact C-N 3.32Å; L185-A187 PolarHBondContact O-N 2.82Å; A187-F190 WeakPolarHBondContact O-CB 3.33Å; A187-F190 PolarHBondContact O-N 2.69Å; A187-A191 PolarHBondContact O-N 3.25Å; A187-I206 HydrophobicContact CB-CD1 4.4Å; A187-I206 HydrophobicContact CB-CG2 4.11Å; A187-I206 WeakPolarHBondContact O-CD1 3.38Å
188L98.9Very high98.8Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-68.3-37.3176.9-63178.8000112.4P2 Q4 F11 V34 P184 L185 A191 E192 I206 P208P2-L188 HydrophobicContact CB-CB 4.25Å; Q4-L188 WeakPolarHBondContact O-CD2 3.4Å; F11-L188 HydrophobicContact CE1-CB 4.42Å; F11-L188 HydrophobicContact CE1-CD2 4.36Å; F11-L188 WeakPolarHBondContact CZ-O 3.44Å; V34-L188 HydrophobicContact CG1-CD1 4.13Å; P184-L188 WeakPolarHBondContact O-CG 3.43Å; P184-L188 PolarHBondContact O-N 3.36Å; L185-L188 PolarHBondContact O-N 3.33Å; L188-A191 WeakPolarHBondContact O-CB 3.38Å; L188-A191 PolarHBondContact O-N 3.23Å; L188-E192 PolarHBondContact O-N 2.67Å; L188-I206 HydrophobicContact CD2-CB 4.43Å; L188-I206 HydrophobicContact CD2-CG2 4.02Å; L188-P208 HydrophobicContact CD1-CG 3.93Å; L188-P208 HydrophobicContact CD2-CG 3.75Å; L188-P208 HydrophobicContact CG-CG 4.13Å
189K98.9Very high98.8Very high8 Ų819.6 Ų19.64%0.03511%0.112CC..Hα-helixtrans-63.8-41.1171.6-176.465.2-172.1-169.50111.8E83 L84 I87 L185 T186 A191 E192 L193E83-K189 VanDerWaalsContact OE1-CE 3.24Å; E83-K189 WeakPolarHBondContact OE1-CE 3.08Å; E83-K189 IonicContact OE1-NZ 2.71Å; E83-K189 PolarHBondContact OE1-NZ 2.96Å; E83-K189 WeakPolarHBondContact OE2-CE 3.29Å; E83-K189 IonicContact OE2-NZ 3.72Å; E83-K189 PolarHBondContact OE2-NZ 3.22Å; L84-K189 HydrophobicContact CD2-CB 4.11Å; L84-K189 HydrophobicContact CD2-CG 3.65Å; I87-K189 HydrophobicContact CD1-CB 4Å; I87-K189 HydrophobicContact CD1-CD 4.27Å; I87-K189 HydrophobicContact CD1-CG 3.89Å; L185-K189 PolarHBondContact O-N 2.9Å; T186-K189 PolarHBondContact O-N 2.75Å; K189-A191 VanDerWaalsContact C-N 3.31Å; K189-A191 PolarHBondContact O-N 2.9Å; K189-E192 WeakPolarHBondContact CD-OE2 3.38Å; K189-E192 WeakPolarHBondContact CE-OE2 3.26Å; K189-E192 IonicContact NZ-OE1 3.52Å; K189-E192 IonicContact NZ-OE2 3.52Å; K189-E192 PolarHBondContact NZ-OE2 3.31Å; K189-E192 VanDerWaalsContact O-CB 3.31Å; K189-E192 WeakPolarHBondContact O-CB 3.25Å; K189-E192 PolarHBondContact O-N 3.46Å; K189-E192 VanDerWaalsContact O-N 3.15Å; K189-L193 PolarHBondContact O-N 2.88Å; K189-L193 VanDerWaalsContact O-N 3.16Å
190F98.9Very high98.8Very high2 Ų220.8 Ų20.81%0.00912%0.119CC..Hα-helixtrans-59.2-39.7174.2166.4-93.1000112.3L73 M77 F111 L158 L161 T186 A187 E192 L193 S194 I204 I206L73-F190 HydrophobicContact CD1-CE2 4.14Å; L73-F190 HydrophobicContact CD2-CE2 3.72Å; L73-F190 HydrophobicContact CD2-CZ 3.83Å; L73-F190 HydrophobicContact CG-CE2 4.14Å; M77-F190 HydrophobicContact SD-CD2 4.05Å; M77-F190 HydrophobicContact SD-CE2 4.02Å; F111-F190 HydrophobicContact CE1-CE2 4.23Å; F111-F190 HydrophobicContact CE1-CZ 4.2Å; F111-F190 AromaticContact CE2-CE2 3.64Å; F111-F190 HydrophobicContact CE2-CE2 3.64Å; F111-F190 HydrophobicContact CE2-CZ 4.19Å; F111-F190 AromaticContact CZ-CE2 3.4Å; F111-F190 HydrophobicContact CZ-CE2 3.4Å; F111-F190 AromaticContact CZ-CZ 3.49Å; F111-F190 HydrophobicContact CZ-CZ 3.49Å; F111-F190 VanDerWaalsContact CZ-CZ 3.49Å; L158-F190 HydrophobicContact CD1-CB 4.08Å; L161-F190 HydrophobicContact CD1-CB 4.47Å; L161-F190 HydrophobicContact CD1-CD1 3.9Å; L161-F190 HydrophobicContact CD1-CE1 4.48Å; L161-F190 HydrophobicContact CD1-CG 4.28Å; L161-F190 HydrophobicContact CD2-CD1 3.74Å; L161-F190 HydrophobicContact CD2-CD2 4.01Å; L161-F190 HydrophobicContact CD2-CE1 3.76Å; L161-F190 HydrophobicContact CD2-CE2 4.02Å; L161-F190 HydrophobicContact CD2-CG 3.87Å; L161-F190 HydrophobicContact CD2-CZ 3.9Å; L161-F190 HydrophobicContact CG-CD1 4.44Å; T186-F190 VanDerWaalsContact O-CB 3.31Å; T186-F190 WeakPolarHBondContact O-CB 3.46Å; T186-F190 PolarHBondContact O-N 2.65Å; A187-F190 WeakPolarHBondContact O-CB 3.33Å; A187-F190 PolarHBondContact O-N 2.69Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 2.89Å; F190-L193 PolarHBondContact O-N 3.11Å; F190-L193 VanDerWaalsContact O-N 3.16Å; F190-S194 PolarHBondContact O-N 2.79Å; F190-I204 HydrophobicContact CE1-CD1 4.01Å; F190-I204 HydrophobicContact CE1-CG2 4.18Å; F190-I204 HydrophobicContact CZ-CD1 4.08Å; F190-I206 HydrophobicContact CD1-CD1 4.06Å
191A98.9Very high98.8Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-58-43.1173.400000112.5F6 F11 A187 L188 K189 L193 S194 V195 I206F6-A191 HydrophobicContact CB-CB 3.89Å; F6-A191 HydrophobicContact CD1-CB 3.47Å; F6-A191 VanDerWaalsContact CD1-CB 3.47Å; F6-A191 HydrophobicContact CD2-CB 3.79Å; F6-A191 HydrophobicContact CE1-CB 3.8Å; F6-A191 HydrophobicContact CE2-CB 4.1Å; F6-A191 HydrophobicContact CG-CB 3.44Å; F6-A191 VanDerWaalsContact CG-CB 3.44Å; F6-A191 HydrophobicContact CZ-CB 4.09Å; F11-A191 HydrophobicContact CE1-CB 4.23Å; F11-A191 HydrophobicContact CZ-CB 3.88Å; A187-A191 PolarHBondContact O-N 3.25Å; L188-A191 WeakPolarHBondContact O-CB 3.38Å; L188-A191 PolarHBondContact O-N 3.23Å; K189-A191 VanDerWaalsContact C-N 3.31Å; K189-A191 PolarHBondContact O-N 2.9Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.11Å; A191-S194 WeakPolarHBondContact O-CB 3.36Å; A191-S194 PolarHBondContact O-N 2.86Å; A191-S194 PolarHBondContact O-OG 2.98Å; A191-V195 PolarHBondContact O-N 2.89Å; A191-I206 HydrophobicContact CB-CD1 3.71Å; A191-I206 HydrophobicContact CB-CG1 4.36Å
192E98.9Very high98.8Very high48 Ų4823 Ų2322%0.22413%0.126CC..Hα-helixtrans-58-45.7174.2-169.7-158.715200111.3P2 F11 L188 K189 F190 S194 V195 K196P2-E192 HydrophobicContact CG-CB 4.12Å; F11-E192 HydrophobicContact CE2-CB 4.13Å; F11-E192 HydrophobicContact CZ-CB 4.23Å; L188-E192 PolarHBondContact O-N 2.67Å; K189-E192 WeakPolarHBondContact CD-OE2 3.38Å; K189-E192 WeakPolarHBondContact CE-OE2 3.26Å; K189-E192 IonicContact NZ-OE1 3.52Å; K189-E192 IonicContact NZ-OE2 3.52Å; K189-E192 PolarHBondContact NZ-OE2 3.31Å; K189-E192 VanDerWaalsContact O-CB 3.31Å; K189-E192 WeakPolarHBondContact O-CB 3.25Å; K189-E192 PolarHBondContact O-N 3.46Å; K189-E192 VanDerWaalsContact O-N 3.15Å; F190-E192 VanDerWaalsContact C-N 3.33Å; F190-E192 PolarHBondContact O-N 2.89Å; E192-S194 VanDerWaalsContact C-N 3.31Å; E192-S194 PolarHBondContact O-N 2.83Å; E192-V195 PolarHBondContact O-N 2.95Å; E192-K196 PolarHBondContact O-N 2.82Å; E192-K196 WeakPolarHBondContact OE1-CE 3.19Å; E192-K196 IonicContact OE1-NZ 3.58Å; E192-K196 PolarHBondContact OE1-NZ 3.2Å
193L98.9Very high98.8Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-65-34.1178.5-60-177000112.2L73 M77 H80 L84 K189 F190 A191 V195 K196 A197L73-L193 HydrophobicContact CD1-CB 4.13Å; M77-L193 HydrophobicContact CG-CD1 3.96Å; H80-L193 HydrophobicContact CB-CD1 4.29Å; H80-L193 HydrophobicContact CB-CD2 4.4Å; L84-L193 HydrophobicContact CD1-CD1 4.02Å; L84-L193 HydrophobicContact CD2-CD1 4.42Å; K189-L193 PolarHBondContact O-N 2.88Å; K189-L193 VanDerWaalsContact O-N 3.16Å; F190-L193 PolarHBondContact O-N 3.11Å; F190-L193 VanDerWaalsContact O-N 3.16Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.11Å; L193-V195 VanDerWaalsContact C-N 3.29Å; L193-V195 PolarHBondContact O-N 2.91Å; L193-K196 HydrophobicContact CD2-CD 4.22Å; L193-K196 PolarHBondContact O-N 2.85Å; L193-A197 WeakPolarHBondContact O-CB 3.31Å; L193-A197 PolarHBondContact O-N 3.34Å
194S98.8Very high98.8Very high3 Ų320.9 Ų20.92%0.02111%0.113CC..Hα-helixtrans-61.7-36.9175.481.40000112.7F190 A191 E192 A197 G198 I199F190-S194 PolarHBondContact O-N 2.79Å; A191-S194 WeakPolarHBondContact O-CB 3.36Å; A191-S194 PolarHBondContact O-N 2.86Å; A191-S194 PolarHBondContact O-OG 2.98Å; E192-S194 VanDerWaalsContact C-N 3.31Å; E192-S194 PolarHBondContact O-N 2.83Å; S194-A197 PolarHBondContact O-N 2.82Å; S194-G198 PolarHBondContact O-N 3.12Å; S194-I199 WeakPolarHBondContact O-CB 3.21Å; S194-I199 WeakPolarHBondContact O-CG1 3.48Å; S194-I199 PolarHBondContact O-N 3.15Å
195V98.6Very high98.8Very high73 Ų7320.9 Ų20.944%0.44211%0.113SC..Hα-helixtrans-66.7-46174.3179.60000110.4F6 A191 E192 L193 A197 G198F6-V195 HydrophobicContact CE2-CG2 3.71Å; F6-V195 HydrophobicContact CZ-CG2 3.53Å; A191-V195 PolarHBondContact O-N 2.89Å; E192-V195 PolarHBondContact O-N 2.95Å; L193-V195 VanDerWaalsContact C-N 3.29Å; L193-V195 PolarHBondContact O-N 2.91Å; V195-A197 VanDerWaalsContact C-N 3.25Å; V195-A197 PolarHBondContact O-N 2.92Å; V195-G198 PolarHBondContact O-N 3.44Å
196K98.7Very high98.8Very high89 Ų8920.8 Ų20.839%0.38711%0.113SC..Hα-helixtrans-61-35176.7-66.1-179.8-172.7172.30112.3K72 L76 H80 E192 L193 G198K72-K196 PolarHBondContact NZ-O 2.95Å; L76-K196 VanDerWaalsContact CD1-C 3.5Å; L76-K196 HydrophobicContact CD1-CB 3.79Å; L76-K196 HydrophobicContact CD2-CB 4.39Å; H80-K196 PolarHBondContact NE2-NZ 2.84Å; E192-K196 PolarHBondContact O-N 2.82Å; E192-K196 WeakPolarHBondContact OE1-CE 3.19Å; E192-K196 IonicContact OE1-NZ 3.58Å; E192-K196 PolarHBondContact OE1-NZ 3.2Å; L193-K196 HydrophobicContact CD2-CD 4.22Å; L193-K196 PolarHBondContact O-N 2.85Å; K196-G198 PolarHBondContact O-N 3.19Å
197A98.7Very high98.8Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-65.8-23.3175.400000112.1K72 L73 L76 L193 S194 V195 I199K72-A197 VanDerWaalsContact CD-O 3.31Å; K72-A197 WeakPolarHBondContact CD-O 3.26Å; K72-A197 WeakPolarHBondContact CE-O 3.39Å; K72-A197 HydrophobicContact CG-CB 4.49Å; K72-A197 PolarHBondContact NZ-O 2.86Å; L73-A197 HydrophobicContact CB-CB 3.86Å; L73-A197 HydrophobicContact CD1-CB 4.1Å; L76-A197 HydrophobicContact CD1-CB 3.71Å; L193-A197 WeakPolarHBondContact O-CB 3.31Å; L193-A197 PolarHBondContact O-N 3.34Å; S194-A197 PolarHBondContact O-N 2.82Å; V195-A197 VanDerWaalsContact C-N 3.25Å; V195-A197 PolarHBondContact O-N 2.92Å; A197-I199 HydrophobicContact CB-CG1 4.22Å
198G98.7Very high98.8Very high40 Ų4020.8 Ų20.841%0.41211%0.112SC..THydrogen-bonded Turntrans85.623.9-174.500000112.5S194 V195 K196S194-G198 PolarHBondContact O-N 3.12Å; V195-G198 PolarHBondContact O-N 3.44Å; K196-G198 PolarHBondContact O-N 3.19Å
199I98.8Very high98.7Very high15 Ų1520.8 Ų20.88%0.07711%0.112CC..PPolyproline II helixtrans-61128.8168.9-60.7-67.3000107.9W58 L69 L70 L73 S194 A197 V203 I204W58-I199 HydrophobicContact CH2-CD1 4.14Å; W58-I199 HydrophobicContact CZ3-CD1 4.05Å; L69-I199 HydrophobicContact CB-CD1 3.89Å; L70-I199 HydrophobicContact CD2-CD1 4.38Å; L73-I199 HydrophobicContact CD2-CG1 4.45Å; S194-I199 WeakPolarHBondContact O-CB 3.21Å; S194-I199 WeakPolarHBondContact O-CG1 3.48Å; S194-I199 PolarHBondContact O-N 3.15Å; A197-I199 HydrophobicContact CB-CG1 4.22Å; I199-V203 HydrophobicContact CG2-CB 3.75Å; I199-V203 HydrophobicContact CG2-CG1 3.81Å; I199-V203 HydrophobicContact CG2-CG2 4.42Å; I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 4.37Å
200P98.8Very high98.7Very high24 Ų2421.6 Ų21.616%0.15612%0.119CC..PPolyproline II helixtrans-58147.4-179.1-2533.6000112.6P57 W58 V203P57-P200 HydrophobicContact CG-CB 3.71Å; P57-P200 HydrophobicContact CG-CG 3.78Å; W58-P200 HydrophobicContact CB-CG 4.44Å; W58-P200 HydrophobicContact CE3-CG 4.09Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.27Å; P200-V203 VanDerWaalsContact O-CB 3.32Å; P200-V203 WeakPolarHBondContact O-CB 3.12Å; P200-V203 VanDerWaalsContact O-CG2 3.27Å; P200-V203 WeakPolarHBondContact O-CG2 3.33Å; P200-V203 PolarHBondContact O-N 3.24Å
201K98.8Very high98.5Very high130 Ų13023.5 Ų23.557%0.56514%0.139SC*.THydrogen-bonded Turntrans-56143177.6-60.7-177.1179.6175.90111D8 A52 V203D8-K201 WeakPolarHBondContact OD1-CB 3.29Å; A52-K201 WeakPolarHBondContact CB-O 3.09Å; K201-V203 PolarHBondContact O-N 2.82Å
202G98.7Very high98.4Very high1 Ų126.2 Ų26.21%0.0117%0.167CC..THydrogen-bonded Turntrans76.9-12.9-17900000115D8 A49 I204 N205D8-G202 PolarHBondContact OD1-N 2.81Å; A49-G202 VanDerWaalsContact CA-O 3.24Å; A49-G202 WeakPolarHBondContact CA-O 3.42Å; G202-I204 VanDerWaalsContact C-N 3.3Å; G202-I204 PolarHBondContact O-N 3.32Å; G202-N205 PolarHBondContact O-ND2 3.48Å
203V98.9Very high98.3Very high0 Ų026.1 Ų26.10%017%0.168CC..SBendtrans-64.8-38177.9174.30000111.7A52 W58 L169 T174 L175 I199 P200 K201A52-V203 HydrophobicContact CB-CG2 4.17Å; W58-V203 HydrophobicContact CB-CG2 3.5Å; W58-V203 VanDerWaalsContact CB-CG2 3.5Å; W58-V203 HydrophobicContact CD2-CB 4.48Å; W58-V203 HydrophobicContact CD2-CG1 3.74Å; W58-V203 HydrophobicContact CD2-CG2 3.84Å; W58-V203 HydrophobicContact CE3-CG1 4.27Å; W58-V203 HydrophobicContact CE3-CG2 4.23Å; W58-V203 HydrophobicContact CG-CB 4.45Å; W58-V203 HydrophobicContact CG-CG1 4Å; W58-V203 HydrophobicContact CG-CG2 3.53Å; W58-V203 HydrophobicContact CH2-CG1 4.49Å; W58-V203 HydrophobicContact CZ2-CG1 4.02Å; L169-V203 HydrophobicContact CD2-CG1 3.55Å; T174-V203 WeakPolarHBondContact CA-O 3.23Å; T174-V203 HydrophobicContact CG2-CB 4.36Å; T174-V203 HydrophobicContact CG2-CG1 4.38Å; T174-V203 HydrophobicContact CG2-CG2 4.22Å; L175-V203 PolarHBondContact N-O 3.02Å; I199-V203 HydrophobicContact CG2-CB 3.75Å; I199-V203 HydrophobicContact CG2-CG1 3.81Å; I199-V203 HydrophobicContact CG2-CG2 4.42Å; P200-V203 HydrophobicContact CB-CG2 3.82Å; P200-V203 HydrophobicContact CG-CG2 4.27Å; P200-V203 VanDerWaalsContact O-CB 3.32Å; P200-V203 WeakPolarHBondContact O-CB 3.12Å; P200-V203 VanDerWaalsContact O-CG2 3.27Å; P200-V203 WeakPolarHBondContact O-CG2 3.33Å; P200-V203 PolarHBondContact O-N 3.24Å; K201-V203 PolarHBondContact O-N 2.82Å
204I98.9Very high98.3Very high3 Ų326.1 Ų26.12%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-121.1127.1175.3-65168.7000107.2F6 L169 L175 F190 I199 G202 I206F6-I204 WeakPolarHBondContact CD1-O 3.19Å; F6-I204 HydrophobicContact CE1-CG2 4.37Å; F6-I204 WeakPolarHBondContact CE1-O 3.19Å; L169-I204 HydrophobicContact CD1-CD1 3.85Å; L169-I204 HydrophobicContact CD1-CG1 4.16Å; L169-I204 HydrophobicContact CD2-CG1 4.16Å; L175-I204 HydrophobicContact CD1-CG1 4.5Å; L175-I204 HydrophobicContact CD1-CG2 4.18Å; L175-I204 HydrophobicContact CD2-CG1 4.49Å; L175-I204 HydrophobicContact CG-CG1 4.36Å; F190-I204 HydrophobicContact CE1-CD1 4.01Å; F190-I204 HydrophobicContact CE1-CG2 4.18Å; F190-I204 HydrophobicContact CZ-CD1 4.08Å; I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 4.37Å; G202-I204 VanDerWaalsContact C-N 3.3Å; G202-I204 PolarHBondContact O-N 3.32Å; I204-I206 HydrophobicContact CG2-CD1 4.24Å; I204-I206 HydrophobicContact CG2-CG1 4.04Å
205N98.9Very high98.3Very high0 Ų026.2 Ų26.20%017%0.169CC..EExtended strand (participates in β ladder)trans-130.7139.7171.1-50.1-91.7000108F6 D8 A45 L175 V176 L177 G202F6-N205 CarbonylContact O-C 3.57Å; F6-N205 VanDerWaalsContact O-CA 3.24Å; F6-N205 WeakPolarHBondContact O-CA 3.42Å; D8-N205 PolarHBondContact N-OD1 3.18Å; A45-N205 HydrophobicContact CB-CB 3.88Å; L175-N205 PolarHBondContact O-N 3.24Å; L175-N205 PolarHBondContact O-ND2 3.38Å; V176-N205 HydrophobicContact CG2-CB 4.35Å; L177-N205 PolarHBondContact N-O 3.34Å; G202-N205 PolarHBondContact O-ND2 3.48Å
206I98.9Very high98.3Very high0 Ų024.9 Ų24.90%016%0.158CC..EExtended strand (participates in β ladder)trans-131.3124.5-175.1-53.5-172.7000109.8F6 L177 P179 A187 L188 F190 A191 I204F6-I206 HydrophobicContact CB-CB 4.15Å; F6-I206 HydrophobicContact CD1-CG1 4.49Å; F6-I206 PolarHBondContact N-O 3.01Å; F6-I206 PolarHBondContact O-N 3.32Å; L177-I206 HydrophobicContact CB-CG1 4.36Å; L177-I206 HydrophobicContact CD2-CG1 4.48Å; L177-I206 HydrophobicContact CD2-CG2 3.94Å; L177-I206 CarbonylContact O-C 3.52Å; L177-I206 WeakPolarHBondContact O-CA 3.28Å; P179-I206 HydrophobicContact CG-CG2 4.21Å; A187-I206 HydrophobicContact CB-CD1 4.4Å; A187-I206 HydrophobicContact CB-CG2 4.11Å; A187-I206 WeakPolarHBondContact O-CD1 3.38Å; L188-I206 HydrophobicContact CD2-CB 4.43Å; L188-I206 HydrophobicContact CD2-CG2 4.02Å; F190-I206 HydrophobicContact CD1-CD1 4.06Å; A191-I206 HydrophobicContact CB-CD1 3.71Å; A191-I206 HydrophobicContact CB-CG1 4.36Å; I204-I206 HydrophobicContact CG2-CD1 4.24Å; I204-I206 HydrophobicContact CG2-CG1 4.04Å
207L98.9Very high98.3Very high0 Ų023.8 Ų23.80%015%0.151CC..  trans-124.491-172.8-61.3-179.5000111.5C5 I7 A37 D41 V42 A45 V176 L177 P179 V214C5-L207 HydrophobicContact CB-CD2 4.14Å; I7-L207 HydrophobicContact CD1-CD2 3.86Å; I7-L207 HydrophobicContact CG1-CD2 3.89Å; A37-L207 HydrophobicContact CB-CB 4Å; A37-L207 HydrophobicContact CB-CD2 4.3Å; D41-L207 HydrophobicContact CB-CD2 4.42Å; V42-L207 HydrophobicContact CB-CD1 4.18Å; V42-L207 HydrophobicContact CG2-CD1 3.83Å; A45-L207 HydrophobicContact CB-CD1 3.77Å; A45-L207 HydrophobicContact CB-CD2 4.15Å; A45-L207 HydrophobicContact CB-CG 4.18Å; V176-L207 HydrophobicContact CG1-CD1 3.69Å; V176-L207 HydrophobicContact CG1-CG 4.17Å; L177-L207 PolarHBondContact O-N 3.05Å; P179-L207 WeakPolarHBondContact CD-O 3.43Å; L207-V214 HydrophobicContact CB-CG1 4.16Å; L207-V214 HydrophobicContact CD1-CG1 4.42Å
208P98.8Very high98.3Very high0 Ų023.8 Ų23.80%015%0.151CC..  trans-62.7139.2168.4-1629.4000111.1Y20 V34 A37 P179 P184 L188Y20-P208 HydrophobicContact CE1-CB 4.31Å; V34-P208 HydrophobicContact CG1-CB 3.58Å; V34-P208 HydrophobicContact CG1-CG 3.85Å; A37-P208 WeakPolarHBondContact CB-O 3.35Å; A37-P208 PolarHBondContact N-O 3.21Å; P179-P208 HydrophobicContact CG-CB 4.38Å; P179-P208 HydrophobicContact CG-CG 4.39Å; P184-P208 HydrophobicContact CB-CB 4Å; P184-P208 HydrophobicContact CB-CG 4.27Å; L188-P208 HydrophobicContact CD1-CG 3.93Å; L188-P208 HydrophobicContact CD2-CG 3.75Å; L188-P208 HydrophobicContact CG-CG 4.13Å
209G96.9Very high98.3Very high0 Ų021.9 Ų21.90%013%0.132CC..SBendtrans150.3-177.5178.400000113.9K178 G211K178-G209 WeakPolarHBondContact CE-O 3.46Å; K178-G209 PolarHBondContact NZ-O 3.05Å; K178-G209 VanDerWaalsContact NZ-O 3.1Å; G209-G211 PolarHBondContact O-N 2.67Å
210S97.4Very high98.3Very high25 Ų2524 Ų2418%0.17514%0.143CC..  trans-60134-169.4157.40000114.8Y36 K178 Q181 G212 M213 V214Y36-S210 WeakPolarHBondContact OH-CB 3.32Å; K178-S210 PolarHBondContact NZ-O 3.38Å; Q181-S210 VanDerWaalsContact OE1-CA 3.3Å; S210-G212 PolarHBondContact OG-N 3.35Å; S210-M213 PolarHBondContact O-N 3.43Å; S210-V214 PolarHBondContact O-N 3.44Å
211G96Very high98.3Very high43 Ų4323.5 Ų23.544%0.44314%0.139SC..Iπ-helixtrans-41.6-62.4167.500000112.7G209 M213 G215G209-G211 PolarHBondContact O-N 2.67Å; G211-M213 PolarHBondContact O-N 2.9Å; G211-M213 VanDerWaalsContact O-N 3.16Å; G211-G215 VanDerWaalsContact O-CA 3.27Å; G211-G215 WeakPolarHBondContact O-CA 3.45Å; G211-G215 PolarHBondContact O-N 3.13Å
212G95.9Very high98.3Very high57 Ų5720.7 Ų20.759%0.58813%0.134SC*.Iπ-helixtrans-69.6-8.9-173.300000115.5S210 Q216S210-G212 PolarHBondContact OG-N 3.35Å; G212-Q216 WeakPolarHBondContact O-CB 3.35Å
213M98Very high98.3Very high46 Ų4622.9 Ų22.923%0.22715%0.145CC..Iπ-helixtrans-112.6-59177.6177.2-86.1-65.600111.9Y36 A37 V39 S210 G211 Q216 R217Y36-M213 HydrophobicContact CD1-CE 4.22Å; Y36-M213 HydrophobicContact CE1-CE 3.73Å; A37-M213 WeakPolarHBondContact O-CE 3.33Å; V39-M213 HydrophobicContact CG2-CG 4.08Å; V39-M213 HydrophobicContact CG2-SD 4.05Å; S210-M213 PolarHBondContact O-N 3.43Å; G211-M213 PolarHBondContact O-N 2.9Å; G211-M213 VanDerWaalsContact O-N 3.16Å; M213-Q216 PolarHBondContact O-N 3.41Å; M213-R217 WeakPolarHBondContact O-CB 3.27Å; M213-R217 PolarHBondContact O-N 3.07Å
214V98.6Very high98.3Very high0 Ų022.9 Ų22.90%015%0.145CC..Iπ-helixtrans-65.3-46178.9177.50000110.1A37 V42 K178 L207 S210 Q216 R217 L218A37-V214 HydrophobicContact CB-CG2 4.05Å; V42-V214 HydrophobicContact CG2-CB 4.29Å; V42-V214 HydrophobicContact CG2-CG1 3.86Å; V42-V214 HydrophobicContact CG2-CG2 4.32Å; K178-V214 HydrophobicContact CB-CG1 4.02Å; K178-V214 HydrophobicContact CG-CB 4.15Å; K178-V214 HydrophobicContact CG-CG1 3.68Å; L207-V214 HydrophobicContact CB-CG1 4.16Å; L207-V214 HydrophobicContact CD1-CG1 4.42Å; S210-V214 PolarHBondContact O-N 3.44Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 2.83Å; V214-R217 PolarHBondContact O-N 3.13Å; V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 HydrophobicContact CG1-CG 4.41Å; V214-L218 WeakPolarHBondContact O-CB 3.48Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 2.89Å
215G98.1Very high98.3Very high5 Ų528.6 Ų28.65%0.05217%0.167CC..Iπ-helixtrans-65.3-38.7-179.700000112.4G211 S219G211-G215 VanDerWaalsContact O-CA 3.27Å; G211-G215 WeakPolarHBondContact O-CA 3.45Å; G211-G215 PolarHBondContact O-N 3.13Å; G215-S219 WeakPolarHBondContact O-CB 3.31Å; G215-S219 PolarHBondContact O-N 2.92Å; G215-S219 PolarHBondContact O-OG 2.86Å
216Q98.6Very high98.3Very high44 Ų4428.6 Ų28.621%0.20617%0.167CC..Hα-helixtrans-64.4-49.9175.5-173.56056.700111.1G212 M213 V214 L218 S219 D220 S242G212-Q216 WeakPolarHBondContact O-CB 3.35Å; M213-Q216 PolarHBondContact O-N 3.41Å; V214-Q216 VanDerWaalsContact C-N 3.34Å; V214-Q216 PolarHBondContact O-N 2.83Å; Q216-L218 VanDerWaalsContact C-N 3.32Å; Q216-L218 PolarHBondContact O-N 2.95Å; Q216-S219 WeakPolarHBondContact O-CA 3.38Å; Q216-S219 WeakPolarHBondContact O-CB 3.28Å; Q216-S219 PolarHBondContact O-N 3Å; Q216-D220 VanDerWaalsContact NE2-CG 3.27Å; Q216-D220 PolarHBondContact NE2-OD1 3.19Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.07Å; Q216-D220 PolarHBondContact NE2-OD2 3.38Å; Q216-D220 VanDerWaalsContact O-CG 3.31Å; Q216-D220 PolarHBondContact O-N 2.78Å; Q216-S242 PolarHBondContact NE2-OG 3.46Å
217R98.8Very high98.3Very high66 Ų6628.6 Ų28.625%0.24917%0.167CC..Hα-helixtrans-60.8-40.7178.6-17857.2-178.9156.6-2.7112.3V39 V42 D43 M213 V214 S219 D220 H221V39-R217 HydrophobicContact CG1-CG 4.08Å; V42-R217 HydrophobicContact CB-CB 4.36Å; V42-R217 HydrophobicContact CB-CG 3.82Å; V42-R217 HydrophobicContact CG1-CB 4.11Å; V42-R217 HydrophobicContact CG1-CG 3.59Å; V42-R217 HydrophobicContact CG2-CB 4.34Å; V42-R217 HydrophobicContact CG2-CG 4.31Å; D43-R217 IonicContact OD1-CZ 3.19Å; D43-R217 IonicContact OD1-NE 2.71Å; D43-R217 PolarHBondContact OD1-NE 2.77Å; D43-R217 IonicContact OD1-NH2 2.85Å; D43-R217 PolarHBondContact OD1-NH2 3.14Å; D43-R217 IonicContact OD2-CZ 3.71Å; D43-R217 IonicContact OD2-NE 3.67Å; D43-R217 IonicContact OD2-NH2 2.92Å; D43-R217 PolarHBondContact OD2-NH2 3.02Å; M213-R217 WeakPolarHBondContact O-CB 3.27Å; M213-R217 PolarHBondContact O-N 3.07Å; V214-R217 PolarHBondContact O-N 3.13Å; R217-S219 VanDerWaalsContact C-N 3.3Å; R217-S219 PolarHBondContact O-N 2.82Å; R217-D220 PolarHBondContact O-N 3.11Å; R217-H221 WeakPolarHBondContact O-CB 3.46Å; R217-H221 PolarHBondContact O-N 2.77Å
218L98.8Very high98.3Very high0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-60.5-40173.5-70172000112V42 V46 A149 V151 V176 K178 V214 Q216 D220 I224V42-L218 HydrophobicContact CG1-CD2 3.66Å; V42-L218 HydrophobicContact CG1-CG 4.06Å; V46-L218 HydrophobicContact CG2-CD2 4.32Å; A149-L218 HydrophobicContact CB-CB 3.94Å; A149-L218 HydrophobicContact CB-CD1 4.25Å; A149-L218 HydrophobicContact CB-CD2 4.09Å; A149-L218 HydrophobicContact CB-CG 4.31Å; V151-L218 HydrophobicContact CG2-CD1 4.32Å; V176-L218 HydrophobicContact CB-CD2 4.01Å; V176-L218 HydrophobicContact CG1-CD2 3.73Å; K178-L218 HydrophobicContact CB-CD1 3.96Å; V214-L218 HydrophobicContact CG1-CD1 4.01Å; V214-L218 HydrophobicContact CG1-CG 4.41Å; V214-L218 WeakPolarHBondContact O-CB 3.48Å; V214-L218 WeakPolarHBondContact O-CG 3.48Å; V214-L218 PolarHBondContact O-N 2.89Å; Q216-L218 VanDerWaalsContact C-N 3.32Å; Q216-L218 PolarHBondContact O-N 2.95Å; L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 3.23Å; L218-I224 HydrophobicContact CB-CD1 4.08Å; L218-I224 HydrophobicContact CD2-CD1 3.57Å; L218-I224 HydrophobicContact CG-CD1 4.44Å; L218-I224 WeakPolarHBondContact O-CD1 3.25Å
219S98.7Very high98.3Very high0 Ų029.1 Ų29.10%017%0.169CC..Hα-helixtrans-67.8-31.2178.1-550000112.5G215 Q216 R217 L227 S246 K249G215-S219 WeakPolarHBondContact O-CB 3.31Å; G215-S219 PolarHBondContact O-N 2.92Å; G215-S219 PolarHBondContact O-OG 2.86Å; Q216-S219 WeakPolarHBondContact O-CA 3.38Å; Q216-S219 WeakPolarHBondContact O-CB 3.28Å; Q216-S219 PolarHBondContact O-N 3Å; R217-S219 VanDerWaalsContact C-N 3.3Å; R217-S219 PolarHBondContact O-N 2.82Å; S219-L227 VanDerWaalsContact OG-CD1 3.22Å; S219-L227 WeakPolarHBondContact OG-CD1 2.85Å; S219-S246 PolarHBondContact O-OG 3.01Å; S219-K249 WeakPolarHBondContact O-CE 3.46Å; S219-K249 PolarHBondContact O-NZ 3.06Å
220D98.8Very high98.4Very high60 Ų6029.5 Ų29.532%0.32117%0.171SC..Hα-helixtrans-93.3-18.3-177-60.1-27.8000113.5Q216 R217 L218 S242Q216-D220 VanDerWaalsContact NE2-CG 3.27Å; Q216-D220 PolarHBondContact NE2-OD1 3.19Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.07Å; Q216-D220 PolarHBondContact NE2-OD2 3.38Å; Q216-D220 VanDerWaalsContact O-CG 3.31Å; Q216-D220 PolarHBondContact O-N 2.78Å; R217-D220 PolarHBondContact O-N 3.11Å; L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 3.23Å; D220-S242 VanDerWaalsContact OD1-CB 3.25Å; D220-S242 WeakPolarHBondContact OD1-CB 3.4Å; D220-S242 PolarHBondContact OD1-OG 3.38Å
221H98.9Very high98.4Very high13 Ų1329.4 Ų29.46%0.0618%0.175CC..  trans-62.5133.3-171.7-158.1-78.2000112.3D43 V46 R217 D223 I224 K249D43-H221 IonicContact OD1-CD2 2.77Å; D43-H221 PolarHBondContact OD1-CD2 3.29Å; D43-H221 VanDerWaalsContact OD1-CD2 3.29Å; D43-H221 IonicContact OD1-NE2 3.56Å; V46-H221 WeakPolarHBondContact CG1-CE1 3.46Å; V46-H221 WeakPolarHBondContact CG1-ND1 3.43Å; R217-H221 WeakPolarHBondContact O-CB 3.46Å; R217-H221 PolarHBondContact O-N 2.77Å; H221-D223 IonicContact CE1-OD2 3.29Å; H221-D223 PolarHBondContact ND1-N 3.28Å; H221-D223 VanDerWaalsContact ND1-N 3.19Å; H221-D223 PolarHBondContact O-N 2.91Å; H221-I224 HydrophobicContact CB-CB 4.47Å; H221-I224 HydrophobicContact CB-CD1 3.79Å; H221-I224 HydrophobicContact CB-CG1 4.1Å; H221-K249 WeakPolarHBondContact O-CE 3.14Å; H221-K249 PolarHBondContact O-NZ 2.89Å
222P98.7Very high98.5Very high72 Ų7230.3 Ų30.347%0.46817%0.174SC..THydrogen-bonded Turntrans-73.1-25.7-174.927.5-36.2000114.4N247P222-N247 PolarHBondContact O-ND2 3.22Å
223D98.8Very high98.6Very high47 Ų4728 Ų2825%0.25115%0.149SC..THydrogen-bonded Turntrans-85.3-13.1179.5-70.4-49.2000114.5V46 K50 H221V46-D223 HydrophobicContact CG1-CB 3.9Å; K50-D223 HydrophobicContact CD-CB 4.22Å; K50-D223 VanDerWaalsContact NZ-CG 3.34Å; K50-D223 IonicContact NZ-OD1 2.86Å; K50-D223 PolarHBondContact NZ-OD1 2.89Å; K50-D223 IonicContact NZ-OD2 3.43Å; K50-D223 PolarHBondContact NZ-OD2 3.12Å; H221-D223 IonicContact CE1-OD2 3.29Å; H221-D223 PolarHBondContact ND1-N 3.28Å; H221-D223 VanDerWaalsContact ND1-N 3.19Å; H221-D223 PolarHBondContact O-N 2.91Å
224I98.9Very high98.6Very high0 Ų030.2 Ų30.20%017%0.166CC..  trans-77.6130.7174.9-69.5171.5000108.9V46 V147 A149 L218 H221 K226 N247 K249V46-I224 HydrophobicContact CG1-CG1 4.19Å; V46-I224 HydrophobicContact CG2-CD1 3.75Å; V46-I224 HydrophobicContact CG2-CG1 4.06Å; V147-I224 HydrophobicContact CG1-CG1 4.18Å; A149-I224 HydrophobicContact CB-CD1 3.91Å; A149-I224 HydrophobicContact CB-CG2 3.98Å; L218-I224 HydrophobicContact CB-CD1 4.08Å; L218-I224 HydrophobicContact CD2-CD1 3.57Å; L218-I224 HydrophobicContact CG-CD1 4.44Å; L218-I224 WeakPolarHBondContact O-CD1 3.25Å; H221-I224 HydrophobicContact CB-CB 4.47Å; H221-I224 HydrophobicContact CB-CD1 3.79Å; H221-I224 HydrophobicContact CB-CG1 4.1Å; I224-K226 WeakPolarHBondContact CG2-O 3.47Å; I224-N247 PolarHBondContact O-ND2 3.35Å; I224-K249 HydrophobicContact CG2-CD 3.96Å; I224-K249 VanDerWaalsContact O-CE 3.29Å; I224-K249 WeakPolarHBondContact O-CE 3.43Å
225R98.8Very high98.6Very high122 Ų12233.7 Ų33.746%0.4618%0.184SC..  trans-106.8-17.2-177.2-59.9-56.8177.3-177-4.7114.2L145 V147 K250L145-R225 HydrophobicContact CB-CB 4.48Å; V147-R225 PolarHBondContact O-N 3.05Å; R225-K250 PolarHBondContact O-N 3.38Å
226K98.9Very high98.6Very high0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-144.6143.5173.1-173.3-162.3170.354.80110.7L145 C148 A149 I224 K250 S252 E472 Y473L145-K226 HydrophobicContact CD1-CB 3.85Å; L145-K226 HydrophobicContact CD1-CD 3.91Å; L145-K226 HydrophobicContact CD1-CG 4.16Å; C148-K226 CarbonylContact C-O 3.38Å; C148-K226 WeakPolarHBondContact CA-O 3.31Å; C148-K226 HydrophobicContact CB-CB 4.43Å; A149-K226 PolarHBondContact N-O 3.4Å; I224-K226 WeakPolarHBondContact CG2-O 3.47Å; K226-K250 CarbonylContact C-O 3.58Å; K226-K250 WeakPolarHBondContact CA-O 3.42Å; K226-K250 HydrophobicContact CB-CB 4.32Å; K226-K250 HydrophobicContact CG-CB 4.06Å; K226-S252 PolarHBondContact NZ-OG 3.18Å; K226-S252 VanDerWaalsContact NZ-OG 3.07Å; K226-E472 VanDerWaalsContact CD-O 3.23Å; K226-E472 WeakPolarHBondContact CD-O 3.3Å; K226-E472 VanDerWaalsContact CE-O 3.24Å; K226-E472 WeakPolarHBondContact CE-O 3.44Å; K226-E472 PolarHBondContact NZ-O 3.27Å; K226-E472 IonicContact NZ-OE2 3.38Å; K226-E472 PolarHBondContact NZ-OE2 3.18Å; K226-Y473 HydrophobicContact CD-CD1 3.38Å; K226-Y473 HydrophobicContact CD-CE1 3.37Å; K226-Y473 HydrophobicContact CD-CG 4.21Å
227L98.9Very high98.7Very high0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-121.2120.7164.5-165.5158.2000110.6A149 S219 F229 I239 K249 K250 V251 S252A149-L227 HydrophobicContact CB-CB 4.41Å; A149-L227 HydrophobicContact CB-CD1 4.32Å; A149-L227 HydrophobicContact CB-CG 4.01Å; A149-L227 CarbonylContact O-C 3.59Å; A149-L227 WeakPolarHBondContact O-CA 3.44Å; S219-L227 VanDerWaalsContact OG-CD1 3.22Å; S219-L227 WeakPolarHBondContact OG-CD1 2.85Å; L227-F229 HydrophobicContact CD2-CB 3.72Å; L227-I239 HydrophobicContact CD1-CG2 3.96Å; L227-I239 HydrophobicContact CD2-CG2 3.49Å; L227-I239 VanDerWaalsContact CD2-CG2 3.49Å; L227-I239 HydrophobicContact CG-CG2 4.28Å; L227-K249 HydrophobicContact CB-CD 4.43Å; L227-K250 PolarHBondContact N-O 3.06Å; L227-V251 VanDerWaalsContact O-CA 3.27Å; L227-V251 WeakPolarHBondContact O-CA 3.29Å; L227-S252 PolarHBondContact O-N 3.05Å
228G98.9Very high98.6Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-99.1120168.400000110.1A149 I150 V151A149-G228 PolarHBondContact O-N 3.07Å; I150-G228 WeakPolarHBondContact CA-O 3.39Å; V151-G228 PolarHBondContact N-O 2.87Å
229F98.9Very high98.6Very high11 Ų1138.5 Ų38.55%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-122.1134.3-178.7173.8-101.6000110.7V151 L227 I235 I239 S252 L253 E254 L255V151-F229 HydrophobicContact CB-CD2 3.8Å; V151-F229 HydrophobicContact CG1-CD2 3.57Å; V151-F229 HydrophobicContact CG1-CE2 3.82Å; L227-F229 HydrophobicContact CD2-CB 3.72Å; F229-I235 HydrophobicContact CE1-CB 4.47Å; F229-I235 HydrophobicContact CE1-CG2 4.37Å; F229-I235 HydrophobicContact CE2-CG2 3.78Å; F229-I235 HydrophobicContact CZ-CB 3.84Å; F229-I235 HydrophobicContact CZ-CG2 3.5Å; F229-I239 HydrophobicContact CB-CD1 4.01Å; F229-I239 HydrophobicContact CB-CG2 4.46Å; F229-I239 HydrophobicContact CD1-CD1 4.1Å; F229-I239 HydrophobicContact CD2-CD1 3.09Å; F229-I239 HydrophobicContact CE1-CD1 4.36Å; F229-I239 HydrophobicContact CE2-CD1 3.44Å; F229-I239 VanDerWaalsContact CE2-CD1 3.44Å; F229-I239 HydrophobicContact CG-CD1 3.47Å; F229-I239 VanDerWaalsContact CG-CD1 3.47Å; F229-I239 HydrophobicContact CZ-CD1 4.06Å; F229-S252 PolarHBondContact N-O 3.1Å; F229-L253 HydrophobicContact CB-CD2 3.99Å; F229-L253 HydrophobicContact CD1-CD2 4.06Å; F229-L253 HydrophobicContact CG-CD2 4.46Å; F229-L253 WeakPolarHBondContact O-CA 3.4Å; F229-E254 PolarHBondContact O-N 2.61Å; F229-L255 HydrophobicContact CD1-CD2 3.7Å; F229-L255 HydrophobicContact CE1-CD2 3.57Å
230T98.8Very high98.6Very high8 Ų842.5 Ų42.55%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-121.3133.3159.2-76.20000109.4V151 P153 K164 E254V151-T230 PolarHBondContact O-N 3.48Å; V151-T230 VanDerWaalsContact O-N 3.13Å; P153-T230 HydrophobicContact CB-CG2 4.03Å; P153-T230 HydrophobicContact CG-CG2 3.49Å; P153-T230 VanDerWaalsContact CG-CG2 3.49Å; K164-T230 WeakPolarHBondContact CE-OG1 3.18Å; K164-T230 PolarHBondContact NZ-OG1 2.91Å; T230-E254 VanDerWaalsContact CA-O 3.24Å; T230-E254 WeakPolarHBondContact CA-O 3.27Å; T230-E254 WeakPolarHBondContact CB-OE2 3.37Å; T230-E254 WeakPolarHBondContact CG2-OE2 3.31Å; T230-E254 PolarHBondContact OG1-OE2 3.34Å
231G98.2Very high98.6Very high24 Ų2446.4 Ų46.425%0.24724%0.241CC..SBendtrans162.1-157.1177.400000112.3E254 L255G231-E254 PolarHBondContact N-O 3.47Å; G231-L255 VanDerWaalsContact O-CA 3.31Å; G231-L255 WeakPolarHBondContact O-CA 3.35Å
232S98Very high98.6Very high62 Ų6246.5 Ų46.543%0.43424%0.242SC..  trans-73149.5-174.367.40000113.5I235 G236S232-I235 PolarHBondContact O-N 3Å; S232-I235 VanDerWaalsContact O-N 3.14Å; S232-I235 WeakPolarHBondContact OG-CG1 3.24Å; S232-G236 PolarHBondContact O-N 3.27Å
233T98.3Very high98.6Very high9 Ų943.1 Ų43.16%0.05522%0.221CC..Hα-helixtrans-55.1-44-178.8-52.90000114.3I235 G236 K237 L255 Q458T233-I235 VanDerWaalsContact C-N 3.31Å; T233-I235 PolarHBondContact O-N 3.37Å; T233-G236 PolarHBondContact O-N 3.35Å; T233-K237 HydrophobicContact CG2-CD 4.44Å; T233-K237 WeakPolarHBondContact O-CG 3.37Å; T233-K237 PolarHBondContact O-N 3.36Å; T233-L255 HydrophobicContact CG2-CD1 4.22Å; T233-Q458 HydrophobicContact CG2-CB 4.32Å
234P98Very high98.6Very high91 Ų9143.6 Ų43.659%0.59123%0.231SC*.Hα-helixtrans-59.9-40.1177.6-2535.9000113Q238P234-Q238 PolarHBondContact O-N 3.28Å
235I98.4Very high98.6Very high73 Ų7350 Ų5037%0.37426%0.264SS..Hα-helixtrans-72.7-39178.5-58.5-58.7000110.8F229 S232 T233 K237 Q238 I239F229-I235 HydrophobicContact CE1-CB 4.47Å; F229-I235 HydrophobicContact CE1-CG2 4.37Å; F229-I235 HydrophobicContact CE2-CG2 3.78Å; F229-I235 HydrophobicContact CZ-CB 3.84Å; F229-I235 HydrophobicContact CZ-CG2 3.5Å; S232-I235 PolarHBondContact O-N 3Å; S232-I235 VanDerWaalsContact O-N 3.14Å; S232-I235 WeakPolarHBondContact OG-CG1 3.24Å; T233-I235 VanDerWaalsContact C-N 3.31Å; T233-I235 PolarHBondContact O-N 3.37Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.35Å; I235-Q238 WeakPolarHBondContact O-CB 3.44Å; I235-Q238 PolarHBondContact O-N 2.71Å; I235-Q238 VanDerWaalsContact O-N 3.15Å; I235-I239 HydrophobicContact CG2-CD1 3.98Å; I235-I239 HydrophobicContact CG2-CG1 4.43Å; I235-I239 WeakPolarHBondContact O-CG1 3.38Å; I235-I239 PolarHBondContact O-N 3.43Å
236G98.7Very high98.6Very high0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-56.9-44.1173.300000112.8S232 T233 Q238 I239 M240S232-G236 PolarHBondContact O-N 3.27Å; T233-G236 PolarHBondContact O-N 3.35Å; G236-Q238 PolarHBondContact O-N 3.08Å; G236-I239 PolarHBondContact O-N 2.86Å; G236-M240 WeakPolarHBondContact O-CB 3.31Å; G236-M240 PolarHBondContact O-N 2.77Å
237K98.7Very high98.6Very high116 Ų11648.2 Ų48.250%0.50427%0.268SS..Hα-helixtrans-60.8-42.6174.6-72176.6179.61740112T233 I235 K241T233-K237 HydrophobicContact CG2-CD 4.44Å; T233-K237 WeakPolarHBondContact O-CG 3.37Å; T233-K237 PolarHBondContact O-N 3.36Å; I235-K237 VanDerWaalsContact C-N 3.33Å; I235-K237 PolarHBondContact O-N 3.35Å; K237-K241 WeakPolarHBondContact O-CB 3.18Å; K237-K241 PolarHBondContact O-N 3.01Å
238Q98.6Very high98.6Very high89 Ų8955 Ų5542%0.41630%0.303SS..Hα-helixtrans-63.4-45.6176.2179.9177.8-11.600111.9P234 I235 G236 K241 S242P234-Q238 PolarHBondContact O-N 3.28Å; I235-Q238 WeakPolarHBondContact O-CB 3.44Å; I235-Q238 PolarHBondContact O-N 2.71Å; I235-Q238 VanDerWaalsContact O-N 3.15Å; G236-Q238 PolarHBondContact O-N 3.08Å; Q238-K241 WeakPolarHBondContact O-CB 3.38Å; Q238-K241 PolarHBondContact O-N 3.5Å; Q238-S242 PolarHBondContact O-N 3.41Å
239I98.7Very high98.5Very high11 Ų1155.4 Ų55.46%0.05631%0.305CS..Hα-helixtrans-60.6-47.5178-76.4172.6000110.9L227 F229 I235 G236 K241 S242 C243 V251 L253L227-I239 HydrophobicContact CD1-CG2 3.96Å; L227-I239 HydrophobicContact CD2-CG2 3.49Å; L227-I239 VanDerWaalsContact CD2-CG2 3.49Å; L227-I239 HydrophobicContact CG-CG2 4.28Å; F229-I239 HydrophobicContact CB-CD1 4.01Å; F229-I239 HydrophobicContact CB-CG2 4.46Å; F229-I239 HydrophobicContact CD1-CD1 4.1Å; F229-I239 HydrophobicContact CD2-CD1 3.09Å; F229-I239 HydrophobicContact CE1-CD1 4.36Å; F229-I239 HydrophobicContact CE2-CD1 3.44Å; F229-I239 VanDerWaalsContact CE2-CD1 3.44Å; F229-I239 HydrophobicContact CG-CD1 3.47Å; F229-I239 VanDerWaalsContact CG-CD1 3.47Å; F229-I239 HydrophobicContact CZ-CD1 4.06Å; I235-I239 HydrophobicContact CG2-CD1 3.98Å; I235-I239 HydrophobicContact CG2-CG1 4.43Å; I235-I239 WeakPolarHBondContact O-CG1 3.38Å; I235-I239 PolarHBondContact O-N 3.43Å; G236-I239 PolarHBondContact O-N 2.86Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.48Å; I239-S242 PolarHBondContact O-N 3.32Å; I239-C243 PolarHBondContact O-N 3.03Å; I239-C243 PolarHBondContact O-SG 3.11Å; I239-V251 HydrophobicContact CG2-CG2 4.21Å; I239-L253 HydrophobicContact CG2-CD2 4.46Å
240M98.8Very high98.5Very high85 Ų8559.2 Ų59.242%0.41932%0.322SS..Hα-helixtrans-59.2-43.9177.3-175.3174.2-176.800111.7G236 S242 C243 A244 V251 L253 F461G236-M240 WeakPolarHBondContact O-CB 3.31Å; G236-M240 PolarHBondContact O-N 2.77Å; M240-S242 PolarHBondContact O-N 3.11Å; M240-C243 PolarHBondContact O-N 3.32Å; M240-A244 WeakPolarHBondContact O-CB 3.45Å; M240-A244 PolarHBondContact O-N 3.32Å; M240-V251 HydrophobicContact CG-CG1 4.16Å; M240-L253 HydrophobicContact CB-CD1 4.13Å; M240-L253 HydrophobicContact SD-CD1 4.15Å; M240-F461 HydrophobicContact CE-CE1 4.18Å; M240-F461 HydrophobicContact CE-CZ 3.88Å; M240-F461 HydrophobicContact SD-CE1 4.05Å; M240-F461 HydrophobicContact SD-CZ 3.92Å
241K98.8Very high98.5Very high142 Ų14260 Ų6062%0.61733%0.326SS*.Hα-helixtrans-58.5-47.2175.4179.6-176.9176.7-177.90111.5K237 Q238 I239 A244 L245K237-K241 WeakPolarHBondContact O-CB 3.18Å; K237-K241 PolarHBondContact O-N 3.01Å; Q238-K241 WeakPolarHBondContact O-CB 3.38Å; Q238-K241 PolarHBondContact O-N 3.5Å; I239-K241 VanDerWaalsContact C-N 3.32Å; I239-K241 PolarHBondContact O-N 3.48Å; K241-A244 PolarHBondContact O-N 3.37Å; K241-L245 HydrophobicContact CD-CD1 4.49Å; K241-L245 HydrophobicContact CG-CD1 3.87Å; K241-L245 HydrophobicContact CG-CG 4.41Å; K241-L245 WeakPolarHBondContact O-CG 3.41Å; K241-L245 PolarHBondContact O-N 2.97Å
242S98.7Very high98.6Very high14 Ų1459 Ų5910%0.09832%0.316CS..Hα-helixtrans-64.7-39.6177.4-93.10000113.4Q216 D220 Q238 I239 M240 A244 L245 S246Q216-S242 PolarHBondContact NE2-OG 3.46Å; D220-S242 VanDerWaalsContact OD1-CB 3.25Å; D220-S242 WeakPolarHBondContact OD1-CB 3.4Å; D220-S242 PolarHBondContact OD1-OG 3.38Å; Q238-S242 PolarHBondContact O-N 3.41Å; I239-S242 PolarHBondContact O-N 3.32Å; M240-S242 PolarHBondContact O-N 3.11Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 3.42Å; S242-L245 PolarHBondContact O-N 2.87Å; S242-S246 VanDerWaalsContact O-CB 3.32Å; S242-S246 WeakPolarHBondContact O-CB 3.44Å; S242-S246 PolarHBondContact O-N 2.96Å; S242-S246 PolarHBondContact O-OG 2.84Å
243C98.7Very high98.6Very high2 Ų256.4 Ų56.41%0.01430%0.297CS..Hα-helixtrans-60-41.3174.2-66.50000111.2I239 M240 S246 L248 K249I239-C243 PolarHBondContact O-N 3.03Å; I239-C243 PolarHBondContact O-SG 3.11Å; M240-C243 PolarHBondContact O-N 3.32Å; C243-S246 PolarHBondContact O-OG 3.37Å; C243-L248 WeakPolarHBondContact O-CA 3.3Å; C243-L248 PolarHBondContact O-N 3.31Å; C243-L248 VanDerWaalsContact O-N 3.12Å; C243-K249 HydrophobicContact CB-CD 4.25Å; C243-K249 HydrophobicContact CB-CG 3.66Å
244A98.7Very high98.6Very high56 Ų5656.3 Ų56.346%0.46330%0.296SS..Hα-helixtrans-67.3-44.5177.400000112.8M240 K241 S242 L248M240-A244 WeakPolarHBondContact O-CB 3.45Å; M240-A244 PolarHBondContact O-N 3.32Å; K241-A244 PolarHBondContact O-N 3.37Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 3.42Å; A244-L248 WeakPolarHBondContact O-CD2 3Å
245L98.7Very high98.6Very high134 Ų13452.4 Ų52.470%0.70227%0.27SS*.Hα-helixtrans-75.3-22.8-176.5-69176000114.1K241 S242K241-L245 HydrophobicContact CD-CD1 4.49Å; K241-L245 HydrophobicContact CG-CD1 3.87Å; K241-L245 HydrophobicContact CG-CG 4.41Å; K241-L245 WeakPolarHBondContact O-CG 3.41Å; K241-L245 PolarHBondContact O-N 2.97Å; S242-L245 PolarHBondContact O-N 2.87Å
246S98.3Very high98.3Very high46 Ų4649.1 Ų49.132%0.32225%0.254SS..Hα-helixtrans-84.9-83-177.553.60000112.2S219 S242 C243 K249S219-S246 PolarHBondContact O-OG 3.01Å; S242-S246 VanDerWaalsContact O-CB 3.32Å; S242-S246 WeakPolarHBondContact O-CB 3.44Å; S242-S246 PolarHBondContact O-N 2.96Å; S242-S246 PolarHBondContact O-OG 2.84Å; C243-S246 PolarHBondContact O-OG 3.37Å; S246-K249 PolarHBondContact OG-NZ 3.47Å
247N98.4Very high98.2Very high40 Ų4049.3 Ų49.321%0.21426%0.256CS..THydrogen-bonded Turntrans-136.919.2-171.171.3-15.9000113.5P222 I224 K249P222-N247 PolarHBondContact O-ND2 3.22Å; I224-N247 PolarHBondContact O-ND2 3.35Å; N247-K249 PolarHBondContact O-N 3.34Å; N247-K249 VanDerWaalsContact OD1-CB 3.24Å; N247-K249 WeakPolarHBondContact OD1-CB 3.46Å; N247-K249 VanDerWaalsContact OD1-CE 3.31Å; N247-K249 WeakPolarHBondContact OD1-CE 3.24Å; N247-K249 WeakPolarHBondContact OD1-CG 3.34Å; N247-K249 PolarHBondContact OD1-N 3.41Å; N247-K249 PolarHBondContact OD1-NZ 3.18Å
248L98.4Very high98.2Very high141 Ų14143.9 Ų43.974%0.73823%0.232SC*.  trans5333.8-176.3-59.7174.2000113C243 A244C243-L248 WeakPolarHBondContact O-CA 3.3Å; C243-L248 PolarHBondContact O-N 3.31Å; C243-L248 VanDerWaalsContact O-N 3.12Å; A244-L248 WeakPolarHBondContact O-CD2 3Å
249K98.6Very high98.2Very high10 Ų1039.8 Ų39.84%0.04321%0.213CC..  trans-55.9142.5172.85717766.763.60110S219 H221 I224 L227 C243 S246 N247S219-K249 WeakPolarHBondContact O-CE 3.46Å; S219-K249 PolarHBondContact O-NZ 3.06Å; H221-K249 WeakPolarHBondContact O-CE 3.14Å; H221-K249 PolarHBondContact O-NZ 2.89Å; I224-K249 HydrophobicContact CG2-CD 3.96Å; I224-K249 VanDerWaalsContact O-CE 3.29Å; I224-K249 WeakPolarHBondContact O-CE 3.43Å; L227-K249 HydrophobicContact CB-CD 4.43Å; C243-K249 HydrophobicContact CB-CD 4.25Å; C243-K249 HydrophobicContact CB-CG 3.66Å; S246-K249 PolarHBondContact OG-NZ 3.47Å; N247-K249 PolarHBondContact O-N 3.34Å; N247-K249 VanDerWaalsContact OD1-CB 3.24Å; N247-K249 WeakPolarHBondContact OD1-CB 3.46Å; N247-K249 VanDerWaalsContact OD1-CE 3.31Å; N247-K249 WeakPolarHBondContact OD1-CE 3.24Å; N247-K249 WeakPolarHBondContact OD1-CG 3.34Å; N247-K249 PolarHBondContact OD1-N 3.41Å; N247-K249 PolarHBondContact OD1-NZ 3.18Å
250K98.8Very high98.2Very high91 Ų9139.6 Ų39.640%0.39621%0.213SC..EExtended strand (participates in β ladder)trans-59.5147.1175.3-73.3-169.6175.4-1710109.7L145 R225 K226 L227 L474L145-K250 HydrophobicContact CD1-CD 3.93Å; L145-K250 HydrophobicContact CD2-CD 3.98Å; R225-K250 PolarHBondContact O-N 3.38Å; K226-K250 CarbonylContact C-O 3.58Å; K226-K250 WeakPolarHBondContact CA-O 3.42Å; K226-K250 HydrophobicContact CB-CB 4.32Å; K226-K250 HydrophobicContact CG-CB 4.06Å; L227-K250 PolarHBondContact N-O 3.06Å; K250-L474 PolarHBondContact NZ-O 3.38Å
251V98.8Very high98.3Very high23 Ų2335.6 Ų35.614%0.13919%0.193CC..EExtended strand (participates in β ladder)trans-133.4139.8175.666.20000109.7L227 I239 M240 L253 F461L227-V251 VanDerWaalsContact O-CA 3.27Å; L227-V251 WeakPolarHBondContact O-CA 3.29Å; I239-V251 HydrophobicContact CG2-CG2 4.21Å; M240-V251 HydrophobicContact CG-CG1 4.16Å; V251-L253 HydrophobicContact CG2-CD2 3.58Å; V251-L253 HydrophobicContact CG2-CG 3.97Å; V251-F461 HydrophobicContact CG1-CE2 4.11Å; V251-F461 HydrophobicContact CG1-CZ 4.08Å; V251-F461 WeakPolarHBondContact O-CE2 3.43Å
252S98.9Very high98.3Very high5 Ų528.8 Ų28.84%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-123.8136.8164.852.80000108.3K226 L227 F229K226-S252 PolarHBondContact NZ-OG 3.18Å; K226-S252 VanDerWaalsContact NZ-OG 3.07Å; L227-S252 PolarHBondContact O-N 3.05Å; F229-S252 PolarHBondContact N-O 3.1Å
253L98.9Very high98.3Very high7 Ų728.1 Ų28.14%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-128.7120.4-171.3-59.6177000108.3F229 I239 M240 V251 L255 G460 F461F229-L253 HydrophobicContact CB-CD2 3.99Å; F229-L253 HydrophobicContact CD1-CD2 4.06Å; F229-L253 HydrophobicContact CG-CD2 4.46Å; F229-L253 WeakPolarHBondContact O-CA 3.4Å; I239-L253 HydrophobicContact CG2-CD2 4.46Å; M240-L253 HydrophobicContact CB-CD1 4.13Å; M240-L253 HydrophobicContact SD-CD1 4.15Å; V251-L253 HydrophobicContact CG2-CD2 3.58Å; V251-L253 HydrophobicContact CG2-CG 3.97Å; L253-L255 HydrophobicContact CB-CD1 4.14Å; L253-L255 HydrophobicContact CB-CD2 4.19Å; L253-L255 HydrophobicContact CB-CG 4.03Å; L253-L255 HydrophobicContact CD1-CD1 4.32Å; L253-G460 CarbonylContact O-C 3.57Å; L253-G460 VanDerWaalsContact O-CA 3.29Å; L253-G460 WeakPolarHBondContact O-CA 3.47Å; L253-F461 HydrophobicContact CD1-CE1 3.95Å; L253-F461 HydrophobicContact CD1-CZ 3.96Å; L253-F461 HydrophobicContact CG-CZ 4.3Å; L253-F461 PolarHBondContact N-O 3.47Å; L253-F461 PolarHBondContact O-N 2.87Å; L253-F461 VanDerWaalsContact O-O 3.08Å
254E98.8Very high98.3Very high7 Ų728.1 Ų28.13%0.03316%0.159CC..EExtended strand (participates in β ladder)trans-114.6114.1162.8-176.7-90.7152.500107.6F229 T230 G231 C288 L415 F453F229-E254 PolarHBondContact O-N 2.61Å; T230-E254 VanDerWaalsContact CA-O 3.24Å; T230-E254 WeakPolarHBondContact CA-O 3.27Å; T230-E254 WeakPolarHBondContact CB-OE2 3.37Å; T230-E254 WeakPolarHBondContact CG2-OE2 3.31Å; T230-E254 PolarHBondContact OG1-OE2 3.34Å; G231-E254 PolarHBondContact N-O 3.47Å; E254-C288 WeakPolarHBondContact OE1-CB 3.45Å; E254-C288 PolarHBondContact OE1-SG 3.12Å; E254-L415 HydrophobicContact CG-CD1 3.93Å; E254-L415 VanDerWaalsContact OE1-CD2 3.23Å; E254-L415 WeakPolarHBondContact OE1-CD2 3.22Å; E254-F453 HydrophobicContact CG-CE1 3.73Å; E254-F453 HydrophobicContact CG-CZ 4.27Å
255L98.2Very high98.3Very high8 Ų827.8 Ų27.84%0.04215%0.153CC..  trans-117.6176.9-168.7-49.7173.7000109.5F229 G231 T233 L253 Q458 S459F229-L255 HydrophobicContact CD1-CD2 3.7Å; F229-L255 HydrophobicContact CE1-CD2 3.57Å; G231-L255 VanDerWaalsContact O-CA 3.31Å; G231-L255 WeakPolarHBondContact O-CA 3.35Å; T233-L255 HydrophobicContact CG2-CD1 4.22Å; L253-L255 HydrophobicContact CB-CD1 4.14Å; L253-L255 HydrophobicContact CB-CD2 4.19Å; L253-L255 HydrophobicContact CB-CG 4.03Å; L253-L255 HydrophobicContact CD1-CD1 4.32Å; L255-Q458 WeakPolarHBondContact CD1-O 3.5Å; L255-S459 PolarHBondContact N-O 3.33Å
256G91.3Very high98.3Very high5 Ų523.8 Ų23.85%0.05213%0.132CC..  trans-52.6166-173.200000115.2E385 Y413 S459G256-E385 VanDerWaalsContact CA-OE2 3.27Å; G256-E385 WeakPolarHBondContact CA-OE2 3.49Å; G256-Y413 WeakPolarHBondContact O-CD1 3.38Å; G256-Y413 WeakPolarHBondContact O-CE1 3.29Å; G256-S459 WeakPolarHBondContact O-CB 3.29Å; G256-S459 PolarHBondContact O-OG 3.37Å
257G96.9Very high98.3Very high3 Ų322.2 Ų22.23%0.03112%0.121CC..  trans-132.4151.8179.400000113.2E385G257-E385 PolarHBondContact N-OE1 3.48Å; G257-E385 WeakPolarHBondContact O-CB 3.33Å; G257-E385 VanDerWaalsContact O-CG 3.28Å; G257-E385 WeakPolarHBondContact O-CG 3.36Å
258K98.7Very high98.3Very high2 Ų223.6 Ų23.61%0.00913%0.129CC..  trans-125.853.4161.8-165.360.9171.11710109.6G292 R293 Y342 I381 A382 E384 Y413K258-G292 WeakPolarHBondContact CE-O 3.24Å; K258-G292 PolarHBondContact NZ-O 3.02Å; K258-R293 HydrophobicContact CD-CG 4.45Å; K258-R293 HydrophobicContact CG-CG 4.29Å; K258-Y342 PolarHBondContact NZ-OH 2.84Å; K258-I381 WeakPolarHBondContact CE-O 3.26Å; K258-I381 PolarHBondContact NZ-O 2.86Å; K258-A382 VanDerWaalsContact CE-C 3.42Å; K258-A382 WeakPolarHBondContact CE-O 3.25Å; K258-A382 WeakPolarHBondContact CG-O 3.32Å; K258-E384 WeakPolarHBondContact CD-O 3.47Å; K258-E384 VanDerWaalsContact CE-O 3.22Å; K258-E384 WeakPolarHBondContact CE-O 3.14Å; K258-E384 PolarHBondContact NZ-O 3Å; K258-Y413 HydrophobicContact CB-CD2 3.72Å; K258-Y413 HydrophobicContact CB-CE2 4.46Å; K258-Y413 HydrophobicContact CB-CG 4.46Å
259S98.9Very high98.3Very high3 Ų318.3 Ų18.32%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-58.7122.4-166.8-54.60000111.6A290 A291 G292 R293 A416 Y444S259-A290 WeakPolarHBondContact CB-O 3.37Å; S259-A291 CarbonylContact O-C 3.42Å; S259-A291 WeakPolarHBondContact O-CA 3.5Å; S259-G292 PolarHBondContact O-N 3.31Å; S259-R293 PolarHBondContact O-N 3.42Å; S259-A416 VanDerWaalsContact CA-O 3.32Å; S259-A416 WeakPolarHBondContact CA-O 3.03Å; S259-A416 WeakPolarHBondContact CB-O 3.47Å; S259-A416 PolarHBondContact OG-N 3.32Å; S259-A416 PolarHBondContact OG-O 3.34Å; S259-Y444 WeakPolarHBondContact CB-OH 3.41Å
260P98.9Very high98.3Very high8 Ų822.3 Ų22.35%0.05212%0.123CC..EExtended strand (participates in β ladder)trans-81.8143.317833.3-36000111.5R293 F295 A408 S417 G418 L434P260-R293 CarbonylContact C-O 3.43Å; P260-R293 WeakPolarHBondContact CA-O 3.27Å; P260-F295 HydrophobicContact CB-CD2 4.22Å; P260-F295 HydrophobicContact CB-CE2 3.85Å; P260-A408 HydrophobicContact CB-CB 3.71Å; P260-A408 HydrophobicContact CG-CB 3.92Å; P260-S417 CarbonylContact O-C 3.5Å; P260-S417 WeakPolarHBondContact O-CA 3.21Å; P260-G418 PolarHBondContact O-N 3.4Å; P260-L434 HydrophobicContact CG-CD2 4.01Å
261L98.9Very high98.3Very high0 Ų021.8 Ų21.80%012%0.12CC..EExtended strand (participates in β ladder)trans-123.1117.1167.9178.665.6000109.9I263 A291 R293 L294 F295 G418 F420 Y444L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CD2-CG1 4.42Å; L261-I263 HydrophobicContact CG-CD1 4.49Å; L261-I263 HydrophobicContact CG-CG1 4.2Å; L261-A291 HydrophobicContact CB-CB 3.82Å; L261-A291 HydrophobicContact CD2-CB 4.37Å; L261-R293 PolarHBondContact N-O 2.94Å; L261-L294 HydrophobicContact CB-CG 4.22Å; L261-L294 HydrophobicContact CD2-CD2 4.34Å; L261-L294 HydrophobicContact CD2-CG 4.14Å; L261-L294 CarbonylContact O-C 3.51Å; L261-L294 WeakPolarHBondContact O-CA 3.49Å; L261-F295 PolarHBondContact O-N 2.78Å; L261-G418 WeakPolarHBondContact CA-O 3.47Å; L261-G418 VanDerWaalsContact CD1-C 3.44Å; L261-F420 HydrophobicContact CD1-CD2 3.61Å; L261-F420 HydrophobicContact CD1-CE2 3.47Å; L261-F420 VanDerWaalsContact CD1-CE2 3.47Å; L261-F420 HydrophobicContact CD2-CD2 4.26Å; L261-F420 HydrophobicContact CD2-CE2 3.91Å; L261-F420 HydrophobicContact CG-CD2 4.19Å; L261-F420 HydrophobicContact CG-CE2 4.17Å; L261-Y444 HydrophobicContact CB-CE2 4.32Å; L261-Y444 HydrophobicContact CD1-CD2 3.71Å; L261-Y444 HydrophobicContact CD1-CE2 3.75Å; L261-Y444 HydrophobicContact CD2-CD2 4.46Å; L261-Y444 HydrophobicContact CG-CE2 4.45Å
262I98.9Very high98.3Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-100.5125.1-178.2-54.6171.1000109.2F264 F295 F396 V404 L405 A408 G418 V419 F420 V430 L434I262-F264 HydrophobicContact CB-CE2 4.5Å; I262-F264 HydrophobicContact CG2-CD2 4.09Å; I262-F264 HydrophobicContact CG2-CE2 3.56Å; I262-F264 HydrophobicContact CG2-CZ 3.85Å; I262-F295 CarbonylContact C-O 3.42Å; I262-F295 WeakPolarHBondContact CA-O 3.45Å; I262-F295 HydrophobicContact CG1-CB 4.41Å; I262-F295 HydrophobicContact CG1-CD2 4.36Å; I262-F396 HydrophobicContact CG2-CE1 3.96Å; I262-F396 HydrophobicContact CG2-CZ 3.97Å; I262-V404 HydrophobicContact CD1-CG1 4.27Å; I262-V404 HydrophobicContact CD1-CG2 4.31Å; I262-V404 HydrophobicContact CG1-CG2 4.23Å; I262-V404 HydrophobicContact CG2-CG1 4.07Å; I262-V404 HydrophobicContact CG2-CG2 4.12Å; I262-L405 HydrophobicContact CD1-CD2 4.31Å; I262-A408 HydrophobicContact CD1-CB 4Å; I262-A408 HydrophobicContact CG1-CB 4.46Å; I262-G418 PolarHBondContact N-O 2.86Å; I262-V419 CarbonylContact O-C 3.19Å; I262-V419 VanDerWaalsContact O-CA 3.26Å; I262-V419 WeakPolarHBondContact O-CA 3.43Å; I262-F420 PolarHBondContact O-N 3.2Å; I262-V430 HydrophobicContact CD1-CG1 4.13Å; I262-L434 HydrophobicContact CD1-CD2 4.21Å
263I98.9Very high98.3Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-120108.1-177.5-54.2-178000108.7L261 A272 L294 F295 V296 E297 I300 Y304 F420L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CD2-CG1 4.42Å; L261-I263 HydrophobicContact CG-CD1 4.49Å; L261-I263 HydrophobicContact CG-CG1 4.2Å; I263-A272 HydrophobicContact CG2-CB 3.97Å; I263-L294 HydrophobicContact CD1-CD2 4.25Å; I263-F295 PolarHBondContact N-O 3.22Å; I263-V296 HydrophobicContact CB-CG2 4.36Å; I263-V296 HydrophobicContact CD1-CG2 4.28Å; I263-E297 PolarHBondContact O-N 3.42Å; I263-I300 HydrophobicContact CG2-CD1 4.05Å; I263-Y304 HydrophobicContact CD1-CD2 4.49Å; I263-Y304 HydrophobicContact CD1-CE1 4.43Å; I263-Y304 HydrophobicContact CD1-CE2 3.67Å; I263-F420 HydrophobicContact CG1-CB 4.42Å; I263-F420 HydrophobicContact CG1-CD2 4.15Å; I263-F420 HydrophobicContact CG2-CB 4.25Å
264F98.9Very high98.3Very high1 Ų128 Ų280%0.00414%0.14CC..  trans-83.6153.8176.6-69.9-83.7000111.7I262 D266 C267 E297 F396 V401 V404 V419 F420 K426 V430I262-F264 HydrophobicContact CB-CE2 4.5Å; I262-F264 HydrophobicContact CG2-CD2 4.09Å; I262-F264 HydrophobicContact CG2-CE2 3.56Å; I262-F264 HydrophobicContact CG2-CZ 3.85Å; F264-D266 WeakPolarHBondContact CB-OD1 3.42Å; F264-D266 PolarHBondContact O-N 3.31Å; F264-C267 VanDerWaalsContact O-CB 3.23Å; F264-C267 WeakPolarHBondContact O-CB 3.42Å; F264-C267 PolarHBondContact O-N 2.92Å; F264-C267 VanDerWaalsContact O-N 3.08Å; F264-C267 PolarHBondContact O-SG 3.05Å; F264-E297 WeakPolarHBondContact CA-OE2 3.41Å; F264-F396 AromaticContact CD1-CE2 3.96Å; F264-F396 HydrophobicContact CD1-CE2 3.96Å; F264-F396 AromaticContact CD1-CZ 3.76Å; F264-F396 HydrophobicContact CD1-CZ 3.76Å; F264-F396 AromaticContact CE1-CE2 3.73Å; F264-F396 HydrophobicContact CE1-CE2 3.73Å; F264-F396 AromaticContact CE1-CZ 3.81Å; F264-F396 HydrophobicContact CE1-CZ 3.81Å; F264-F396 HydrophobicContact CG-CZ 4.31Å; F264-F396 HydrophobicContact CZ-CZ 4.41Å; F264-V401 HydrophobicContact CE1-CG2 3.9Å; F264-V401 HydrophobicContact CZ-CG1 4.32Å; F264-V401 HydrophobicContact CZ-CG2 4.15Å; F264-V404 HydrophobicContact CZ-CG1 4.46Å; F264-V419 HydrophobicContact CD2-CG2 3.89Å; F264-V419 HydrophobicContact CE2-CG2 3.7Å; F264-F420 PolarHBondContact N-O 3.22Å; F264-K426 HydrophobicContact CD1-CD 4.06Å; F264-K426 HydrophobicContact CE1-CD 4.07Å; F264-K426 HydrophobicContact CG-CD 4.34Å; F264-K426 HydrophobicContact CZ-CD 4.37Å; F264-V430 HydrophobicContact CE2-CG2 4.09Å; F264-V430 HydrophobicContact CZ-CG2 4.18Å
265S98.8Very high98.3Very high50 Ų5029.5 Ų29.535%0.3515%0.148SC..THydrogen-bonded Turntrans-60.6-26.4179.155.70000114.2C267 E297 S299S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 2.8Å; S265-E297 WeakPolarHBondContact CB-OE2 3.4Å; S265-E297 PolarHBondContact N-OE2 3.15Å; S265-E297 PolarHBondContact OG-OE2 3.2Å; S265-S299 WeakPolarHBondContact CB-OG 3.37Å
266D98.7Very high98.3Very high49 Ų4929.1 Ų29.126%0.26215%0.146SC..THydrogen-bonded Turntrans-86.67.7176.676.9-26000113.6F264 T421 Q422 D423 K426F264-D266 WeakPolarHBondContact CB-OD1 3.42Å; F264-D266 PolarHBondContact O-N 3.31Å; D266-T421 WeakPolarHBondContact OD1-CA 3.36Å; D266-T421 PolarHBondContact OD1-OG1 2.64Å; D266-T421 PolarHBondContact OD2-OG1 2.72Å; D266-Q422 VanDerWaalsContact O-CB 3.28Å; D266-Q422 WeakPolarHBondContact O-CB 3.48Å; D266-Q422 WeakPolarHBondContact O-CG 3.27Å; D266-Q422 PolarHBondContact O-N 2.76Å; D266-D423 VanDerWaalsContact OD2-CB 3.31Å; D266-D423 WeakPolarHBondContact OD2-CB 3.15Å; D266-D423 PolarHBondContact OD2-N 2.89Å; D266-D423 VanDerWaalsContact OD2-N 3.15Å; D266-K426 IonicContact OD1-NZ 2.63Å; D266-K426 PolarHBondContact OD1-NZ 3.03Å; D266-K426 IonicContact OD2-NZ 3.52Å; D266-K426 PolarHBondContact OD2-NZ 3.08Å
267C98.7Very high98.7Very high13 Ų1329.9 Ų29.99%0.08815%0.149CC..SBendtrans-70.6164.7175.776.30000112F264 S265 M269 A272 F420F264-C267 VanDerWaalsContact O-CB 3.23Å; F264-C267 WeakPolarHBondContact O-CB 3.42Å; F264-C267 PolarHBondContact O-N 2.92Å; F264-C267 VanDerWaalsContact O-N 3.08Å; F264-C267 PolarHBondContact O-SG 3.05Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 2.8Å; C267-M269 PolarHBondContact O-N 3.48Å; C267-A272 VanDerWaalsContact SG-CB 3.54Å; C267-F420 HydrophobicContact CB-CB 3.93Å
268D98.7Very high98.7Very high70 Ų7031.5 Ų31.537%0.37416%0.159SC..  trans-71.5105.1161.2176-26.8000108.6D270 K271 A272D268-D270 PolarHBondContact O-N 3.34Å; D268-D270 PolarHBondContact OD1-N 3.26Å; D268-D270 VanDerWaalsContact OD1-N 3.15Å; D268-K271 HydrophobicContact CB-CB 3.91Å; D268-K271 PolarHBondContact O-N 3.4Å; D268-K271 PolarHBondContact OD1-N 2.93Å; D268-A272 WeakPolarHBondContact O-CB 3.45Å; D268-A272 PolarHBondContact O-N 2.9Å
269M98.6Very high98.8Very high29 Ų2931.4 Ų31.414%0.14316%0.159CC..Hα-helixtrans-56.4-44.8-176.5177.662.981.900112.8C267 K271 A272 V273 I300 E303 Y304C267-M269 PolarHBondContact O-N 3.48Å; M269-K271 VanDerWaalsContact C-N 3.3Å; M269-K271 PolarHBondContact O-N 3.44Å; M269-A272 PolarHBondContact O-N 3.19Å; M269-V273 WeakPolarHBondContact O-CG2 3.19Å; M269-V273 PolarHBondContact O-N 3.32Å; M269-V273 HydrophobicContact SD-CG2 4.05Å; M269-I300 HydrophobicContact CE-CB 3.73Å; M269-I300 HydrophobicContact CE-CD1 4.2Å; M269-I300 HydrophobicContact CE-CG2 4.15Å; M269-E303 HydrophobicContact CE-CB 4.47Å; M269-E303 HydrophobicContact CE-CG 4.29Å; M269-Y304 HydrophobicContact SD-CD2 4.05Å
270D98.5Very high98.8Very high95 Ų9531.4 Ų31.451%0.50816%0.159SC..Hα-helixtrans-67.1-35.6-178.2-70.5-21.4000111.6D268 R274 R307D268-D270 PolarHBondContact O-N 3.34Å; D268-D270 PolarHBondContact OD1-N 3.26Å; D268-D270 VanDerWaalsContact OD1-N 3.15Å; D270-R274 WeakPolarHBondContact O-CG 3.24Å; D270-R274 PolarHBondContact O-N 3.39Å; D270-R274 PolarHBondContact O-NE 3.37Å; D270-R274 VanDerWaalsContact O-NE 3.12Å; D270-R307 IonicContact OD1-CZ 2.89Å; D270-R307 IonicContact OD1-NH1 3.05Å; D270-R307 PolarHBondContact OD1-NH1 3.41Å
271K98.4Very high98.8Very high79 Ų7931.6 Ų31.634%0.34316%0.159SC..Hα-helixtrans-72.5-41.3173.8-166.7-178.9-173.9-1700111.5D268 M269 R274 M275 N442D268-K271 HydrophobicContact CB-CB 3.91Å; D268-K271 PolarHBondContact O-N 3.4Å; D268-K271 PolarHBondContact OD1-N 2.93Å; M269-K271 VanDerWaalsContact C-N 3.3Å; M269-K271 PolarHBondContact O-N 3.44Å; K271-R274 PolarHBondContact O-N 2.89Å; K271-M275 HydrophobicContact CG-CG 4.17Å; K271-M275 WeakPolarHBondContact O-CB 3.47Å; K271-M275 WeakPolarHBondContact O-CG 3.47Å; K271-M275 PolarHBondContact O-N 2.9Å; K271-N442 WeakPolarHBondContact CE-O 3.4Å; K271-N442 PolarHBondContact NZ-O 3.14Å
272A98.8Very high98.8Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-62.4-43.8178.600000111.6I263 C267 D268 M269 G276 Y304 F420I263-A272 HydrophobicContact CG2-CB 3.97Å; C267-A272 VanDerWaalsContact SG-CB 3.54Å; D268-A272 WeakPolarHBondContact O-CB 3.45Å; D268-A272 PolarHBondContact O-N 2.9Å; M269-A272 PolarHBondContact O-N 3.19Å; A272-G276 WeakPolarHBondContact O-CA 3.45Å; A272-G276 PolarHBondContact O-N 3Å; A272-Y304 HydrophobicContact CB-CE2 4.39Å; A272-F420 HydrophobicContact CB-CD1 4.41Å; A272-F420 HydrophobicContact CB-CG 4.44Å
273V98.9Very high98.7Very high7 Ų734.4 Ų34.44%0.04217%0.172CC..Hα-helixtrans-60.7-52.6174.8171.60000110.7M269 M275 G276 M277 Y304 R307 V308 E311M269-V273 WeakPolarHBondContact O-CG2 3.19Å; M269-V273 PolarHBondContact O-N 3.32Å; M269-V273 HydrophobicContact SD-CG2 4.05Å; V273-M275 PolarHBondContact O-N 2.82Å; V273-G276 PolarHBondContact O-N 2.91Å; V273-M277 HydrophobicContact CG1-SD 4.25Å; V273-M277 WeakPolarHBondContact O-CB 3.25Å; V273-M277 VanDerWaalsContact O-CG 3.28Å; V273-M277 WeakPolarHBondContact O-CG 3.2Å; V273-M277 PolarHBondContact O-N 3.37Å; V273-Y304 HydrophobicContact CB-CE2 4.44Å; V273-Y304 HydrophobicContact CG2-CD2 3.7Å; V273-Y304 HydrophobicContact CG2-CE2 3.89Å; V273-R307 HydrophobicContact CG1-CB 4.26Å; V273-R307 HydrophobicContact CG2-CB 3.82Å; V273-V308 HydrophobicContact CG1-CG2 4.03Å; V273-E311 HydrophobicContact CG1-CG 4.19Å
274R98.6Very high98.7Very high158 Ų15834.8 Ų34.860%0.59617%0.173SC*.Hα-helixtrans-59.6-46-179.7-76.8-177.8-66.8164.6-2.2112.9D270 K271 S278D270-R274 WeakPolarHBondContact O-CG 3.24Å; D270-R274 PolarHBondContact O-N 3.39Å; D270-R274 PolarHBondContact O-NE 3.37Å; D270-R274 VanDerWaalsContact O-NE 3.12Å; K271-R274 PolarHBondContact O-N 2.89Å; R274-S278 PolarHBondContact O-N 3.47Å
275M98.8Very high98.7Very high39 Ų3934.7 Ų34.719%0.19217%0.173CC..Hα-helixtrans-78.2-31.3-177.7-65.6-52.8-5800112.7K271 V273 S278 S279 F420 Y444K271-M275 HydrophobicContact CG-CG 4.17Å; K271-M275 WeakPolarHBondContact O-CB 3.47Å; K271-M275 WeakPolarHBondContact O-CG 3.47Å; K271-M275 PolarHBondContact O-N 2.9Å; V273-M275 PolarHBondContact O-N 2.82Å; M275-S278 PolarHBondContact O-N 2.78Å; M275-S279 WeakPolarHBondContact O-CB 3.43Å; M275-S279 PolarHBondContact O-N 3.2Å; M275-F420 HydrophobicContact CB-CE1 3.72Å; M275-F420 HydrophobicContact CB-CE2 4.26Å; M275-F420 HydrophobicContact CB-CZ 3.31Å; M275-F420 HydrophobicContact CG-CE1 4.08Å; M275-F420 HydrophobicContact CG-CZ 4.06Å; M275-Y444 VanDerWaalsContact CE-O 3.29Å; M275-Y444 WeakPolarHBondContact CE-O 3.39Å
276G98.8Very high98.7Very high0 Ų032.3 Ų32.30%016%0.156CC..Hα-helixtrans-63.6-44170.600000111.2A272 V273 S279 V280 Y304A272-G276 WeakPolarHBondContact O-CA 3.45Å; A272-G276 PolarHBondContact O-N 3Å; V273-G276 PolarHBondContact O-N 2.91Å; G276-S279 PolarHBondContact O-N 2.8Å; G276-S279 PolarHBondContact O-OG 2.81Å; G276-V280 PolarHBondContact O-N 3.07Å; G276-Y304 WeakPolarHBondContact CA-OH 3.41Å
277M98.8Very high98.7Very high22 Ų2230.4 Ų30.411%0.10815%0.146CC..Hα-helixtrans-60.2-47.7170.2-73.2-17872.500112.2V273 S279 V280 F281 V308 E311 I312 M315 M391V273-M277 HydrophobicContact CG1-SD 4.25Å; V273-M277 WeakPolarHBondContact O-CB 3.25Å; V273-M277 VanDerWaalsContact O-CG 3.28Å; V273-M277 WeakPolarHBondContact O-CG 3.2Å; V273-M277 PolarHBondContact O-N 3.37Å; M277-S279 VanDerWaalsContact C-N 3.26Å; M277-S279 PolarHBondContact O-N 3.26Å; M277-V280 PolarHBondContact O-N 3.01Å; M277-F281 HydrophobicContact CB-CD2 3.97Å; M277-F281 HydrophobicContact CB-CE2 4.34Å; M277-F281 HydrophobicContact CE-CD2 4.29Å; M277-F281 HydrophobicContact CE-CE2 4.44Å; M277-F281 HydrophobicContact CG-CD2 4.24Å; M277-F281 HydrophobicContact CG-CE2 4.15Å; M277-F281 WeakPolarHBondContact O-CB 3.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.47Å; M277-F281 PolarHBondContact O-N 2.87Å; M277-V308 HydrophobicContact CG-CG1 4.35Å; M277-V308 HydrophobicContact CG-CG2 4.38Å; M277-E311 HydrophobicContact CE-CB 3.64Å; M277-E311 HydrophobicContact SD-CB 3.25Å; M277-E311 WeakPolarHBondContact SD-CB 3.09Å; M277-E311 HydrophobicContact SD-CG 4.01Å; M277-I312 HydrophobicContact CE-CG1 3.82Å; M277-M315 HydrophobicContact CE-CG 4.46Å; M277-M315 HydrophobicContact CE-SD 3.86Å; M277-M391 HydrophobicContact CG-CE 4.47Å
278S98.7Very high98.6Very high36 Ų3630.4 Ų30.425%0.25215%0.146SC..Hα-helixtrans-57.3-41.8175.8-176.90000111.6R274 M275 V280 F282 N445R274-S278 PolarHBondContact O-N 3.47Å; M275-S278 PolarHBondContact O-N 2.78Å; S278-V280 PolarHBondContact O-N 2.63Å; S278-V280 VanDerWaalsContact O-N 3.11Å; S278-F282 WeakPolarHBondContact O-CB 3.37Å; S278-F282 PolarHBondContact O-N 3.3Å; S278-N445 VanDerWaalsContact C-ND2 3.33Å; S278-N445 PolarHBondContact O-ND2 3.25Å; S278-N445 PolarHBondContact OG-ND2 3.47Å
279S98.9Very high98.6Very high0 Ų027.4 Ų27.40%013%0.13CC..Hα-helixtrans-60-24.1-178.377.70000113.8M275 G276 M277 A290 A291 Y444M275-S279 WeakPolarHBondContact O-CB 3.43Å; M275-S279 PolarHBondContact O-N 3.2Å; G276-S279 PolarHBondContact O-N 2.8Å; G276-S279 PolarHBondContact O-OG 2.81Å; M277-S279 VanDerWaalsContact C-N 3.26Å; M277-S279 PolarHBondContact O-N 3.26Å; S279-A290 CarbonylContact O-C 3.57Å; S279-A290 WeakPolarHBondContact O-CA 3.24Å; S279-A291 PolarHBondContact O-N 3.26Å; S279-A291 VanDerWaalsContact OG-CB 3.27Å; S279-A291 WeakPolarHBondContact OG-CB 3.4Å; S279-Y444 VanDerWaalsContact CB-CG 3.48Å
280V98.9Very high98.6Very high4 Ų426.9 Ų26.92%0.02413%0.13CC..Hα-helixtrans-107.6-48.9-178.4179.70000111.8G276 M277 S278 G285 A291 L294 V390 M391G276-V280 PolarHBondContact O-N 3.07Å; M277-V280 PolarHBondContact O-N 3.01Å; S278-V280 PolarHBondContact O-N 2.63Å; S278-V280 VanDerWaalsContact O-N 3.11Å; V280-G285 WeakPolarHBondContact O-CA 3.02Å; V280-A291 HydrophobicContact CG2-CB 4.42Å; V280-L294 HydrophobicContact CG2-CD1 3.74Å; V280-V390 VanDerWaalsContact CG1-C 3.47Å; V280-V390 WeakPolarHBondContact CG1-O 3.44Å; V280-M391 HydrophobicContact CB-CB 4.45Å; V280-M391 HydrophobicContact CB-CE 4.23Å; V280-M391 HydrophobicContact CG1-CB 4Å; V280-M391 HydrophobicContact CG2-CB 4.13Å; V280-M391 HydrophobicContact CG2-CE 3.87Å; V280-M391 HydrophobicContact CG2-CG 4.1Å
281F98.9Very high98.7Very high12 Ų1222.4 Ų22.45%0.05311%0.106CC..Hα-helixtrans-93.5-9.7-166.4-54.1-52.9000113.8M277 N283 K284 I312 M315 P369 V371 P389 M391M277-F281 HydrophobicContact CB-CD2 3.97Å; M277-F281 HydrophobicContact CB-CE2 4.34Å; M277-F281 HydrophobicContact CE-CD2 4.29Å; M277-F281 HydrophobicContact CE-CE2 4.44Å; M277-F281 HydrophobicContact CG-CD2 4.24Å; M277-F281 HydrophobicContact CG-CE2 4.15Å; M277-F281 WeakPolarHBondContact O-CB 3.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.47Å; M277-F281 PolarHBondContact O-N 2.87Å; F281-N283 PolarHBondContact O-N 3.06Å; F281-K284 WeakPolarHBondContact O-CA 3.47Å; F281-K284 PolarHBondContact O-N 2.96Å; F281-I312 HydrophobicContact CE2-CD1 3.7Å; F281-I312 HydrophobicContact CE2-CG1 3.86Å; F281-I312 HydrophobicContact CZ-CD1 3.63Å; F281-I312 HydrophobicContact CZ-CG1 4.23Å; F281-M315 HydrophobicContact CB-CE 4.25Å; F281-M315 HydrophobicContact CD2-SD 4.49Å; F281-P369 HydrophobicContact CD1-CB 4.1Å; F281-P369 HydrophobicContact CE1-CB 3.92Å; F281-P369 HydrophobicContact CZ-CB 4.33Å; F281-V371 HydrophobicContact CZ-CG2 4.41Å; F281-P389 HydrophobicContact CD1-CB 3.77Å; F281-P389 HydrophobicContact CE1-CB 4.36Å; F281-P389 WeakPolarHBondContact CE1-O 3.45Å; F281-M391 HydrophobicContact CE1-CB 4.44Å; F281-M391 HydrophobicContact CE2-CE 3.8Å; F281-M391 HydrophobicContact CZ-CB 3.97Å; F281-M391 HydrophobicContact CZ-CE 4.11Å
282F98.8Very high98.7Very high52 Ų5219.1 Ų19.123%0.22810%0.095CC..G310 helixtrans-57.3133.4176.7-177.4-94.6000111.3L98 T102 Y156 S278 K284 G285L98-F282 HydrophobicContact CD1-CD2 4.28Å; L98-F282 HydrophobicContact CD1-CE1 4.41Å; L98-F282 HydrophobicContact CD1-CE2 3.33Å; L98-F282 HydrophobicContact CD1-CZ 3.44Å; L98-F282 VanDerWaalsContact CD1-CZ 3.44Å; L98-F282 HydrophobicContact CD2-CE2 4.25Å; L98-F282 HydrophobicContact CD2-CZ 4.32Å; L98-F282 HydrophobicContact CG-CE2 4.43Å; L98-F282 HydrophobicContact CG-CZ 4.4Å; T102-F282 HydrophobicContact CG2-CZ 4.08Å; Y156-F282 HydrophobicContact CE1-CE1 4.17Å; Y156-F282 VanDerWaalsContact OH-CD1 3.29Å; Y156-F282 WeakPolarHBondContact OH-CD1 3.46Å; Y156-F282 VanDerWaalsContact OH-CE1 3.27Å; Y156-F282 WeakPolarHBondContact OH-CE1 3.44Å; S278-F282 WeakPolarHBondContact O-CB 3.37Å; S278-F282 PolarHBondContact O-N 3.3Å; F282-K284 PolarHBondContact O-N 2.88Å; F282-G285 PolarHBondContact O-N 3.13Å; F282-G285 VanDerWaalsContact O-N 3.12Å
283N98.8Very high98.7Very high7 Ų719.4 Ų19.44%0.03710%0.096CC..G310 helixtrans49.143.2-173.1-165.740.2000112.1L98 H103 N155 Y156 F281 G285 E286L98-N283 HydrophobicContact CD2-CB 4.08Å; H103-N283 PolarHBondContact CE1-OD1 3.14Å; N155-N283 PolarHBondContact O-ND2 3.37Å; Y156-N283 HydrophobicContact CE1-CB 3.77Å; Y156-N283 WeakPolarHBondContact CE1-ND2 3.38Å; Y156-N283 WeakPolarHBondContact OH-CB 3.16Å; F281-N283 PolarHBondContact O-N 3.06Å; N283-G285 PolarHBondContact O-N 3.19Å; N283-G285 VanDerWaalsContact O-N 3.11Å; N283-E286 PolarHBondContact ND2-O 2.94Å; N283-E286 VanDerWaalsContact ND2-O 3.12Å; N283-E286 PolarHBondContact O-N 3.36Å; N283-E286 VanDerWaalsContact O-N 3.13Å
284K98.8Very high98.7Very high7 Ų719 Ų193%0.039%0.094CC..G310 helixtrans49.336.5-179.241.174.9-166.11110113.7F281 F282 E286 H327 Q330 P389F281-K284 WeakPolarHBondContact O-CA 3.47Å; F281-K284 PolarHBondContact O-N 2.96Å; F282-K284 PolarHBondContact O-N 2.88Å; K284-E286 HydrophobicContact CD-CB 4.08Å; K284-E286 HydrophobicContact CD-CG 3.66Å; K284-E286 WeakPolarHBondContact CD-OE1 3.24Å; K284-E286 VanDerWaalsContact CD-OE2 3.25Å; K284-E286 WeakPolarHBondContact CD-OE2 3.23Å; K284-E286 WeakPolarHBondContact CE-OE2 3.45Å; K284-E286 IonicContact NZ-OE2 2.89Å; K284-E286 PolarHBondContact NZ-OE2 3.38Å; K284-E286 PolarHBondContact O-N 3.25Å; K284-E286 VanDerWaalsContact O-N 3.13Å; K284-H327 VanDerWaalsContact CB-CE1 3.47Å; K284-H327 WeakPolarHBondContact CB-CE1 3.32Å; K284-Q330 PolarHBondContact O-NE2 3.4Å; K284-Q330 VanDerWaalsContact O-NE2 3.07Å; K284-P389 VanDerWaalsContact O-CD 3.31Å; K284-P389 WeakPolarHBondContact O-CD 3.32Å
285G98.6Very high98.7Very high0 Ų011.5 Ų11.50%07%0.066CC..G310 helixtrans69.40.9177.400000116.1V280 F282 N283 N287 F387 G388V280-G285 WeakPolarHBondContact O-CA 3.02Å; F282-G285 PolarHBondContact O-N 3.13Å; F282-G285 VanDerWaalsContact O-N 3.12Å; N283-G285 PolarHBondContact O-N 3.19Å; N283-G285 VanDerWaalsContact O-N 3.11Å; G285-N287 PolarHBondContact O-N 2.97Å; G285-F387 CarbonylContact O-C 3.54Å; G285-G388 PolarHBondContact O-N 3.44Å
286E98.9Very high98.7Very high0 Ų09.7 Ų9.70%06%0.056CC..  trans-81.873.7172.6-62.6168.3-177.400108.4W154 N155 Y156 N283 K284 Q330 N331 H335 F387W154-E286 HydrophobicContact CH2-CG 4.05Å; W154-E286 HydrophobicContact CZ3-CB 4.02Å; W154-E286 HydrophobicContact CZ3-CG 3.71Å; W154-E286 WeakPolarHBondContact CZ3-OE2 3.33Å; N155-E286 HydrophobicContact CB-CB 3.99Å; N155-E286 WeakPolarHBondContact CB-O 3.15Å; N155-E286 PolarHBondContact ND2-O 2.71Å; Y156-E286 WeakPolarHBondContact CE2-O 3.47Å; N283-E286 PolarHBondContact ND2-O 2.94Å; N283-E286 VanDerWaalsContact ND2-O 3.12Å; N283-E286 PolarHBondContact O-N 3.36Å; N283-E286 VanDerWaalsContact O-N 3.13Å; K284-E286 HydrophobicContact CD-CB 4.08Å; K284-E286 HydrophobicContact CD-CG 3.66Å; K284-E286 WeakPolarHBondContact CD-OE1 3.24Å; K284-E286 VanDerWaalsContact CD-OE2 3.25Å; K284-E286 WeakPolarHBondContact CD-OE2 3.23Å; K284-E286 WeakPolarHBondContact CE-OE2 3.45Å; K284-E286 IonicContact NZ-OE2 2.89Å; K284-E286 PolarHBondContact NZ-OE2 3.38Å; K284-E286 PolarHBondContact O-N 3.25Å; K284-E286 VanDerWaalsContact O-N 3.13Å; E286-Q330 VanDerWaalsContact OE1-CA 3.22Å; E286-Q330 WeakPolarHBondContact OE1-CA 3.33Å; E286-Q330 WeakPolarHBondContact OE1-CB 2.78Å; E286-Q330 PolarHBondContact OE1-NE2 3.26Å; E286-N331 PolarHBondContact OE1-N 2.61Å; E286-N331 WeakPolarHBondContact OE2-CB 3.45Å; E286-H335 IonicContact OE1-CD2 2.76Å; E286-H335 PolarHBondContact OE1-CD2 3.04Å; E286-H335 VanDerWaalsContact OE1-CD2 3.3Å; E286-H335 IonicContact OE1-NE2 3.46Å; E286-F387 HydrophobicContact CB-CD1 4.08Å; E286-F387 HydrophobicContact CB-CE1 3.93Å; E286-F387 HydrophobicContact CG-CD1 4.18Å; E286-F387 HydrophobicContact CG-CE1 4.43Å; E286-F387 VanDerWaalsContact CG-O 3.28Å; E286-F387 WeakPolarHBondContact CG-O 3.38Å
287N98.6Very high98.7Very high9 Ų910.1 Ų10.15%0.0486%0.058CC..  trans-148.7117.1-170.2179.520.9000108.1Y156 G285 I289 A290 N445Y156-N287 HydrophobicContact CE2-CB 4.34Å; G285-N287 PolarHBondContact O-N 2.97Å; N287-I289 PolarHBondContact O-N 2.62Å; N287-I289 WeakPolarHBondContact OD1-CG1 3.34Å; N287-A290 HydrophobicContact CB-CB 4.19Å; N287-A290 WeakPolarHBondContact O-CB 3.15Å; N287-A290 PolarHBondContact O-N 3.4Å; N287-N445 PolarHBondContact ND2-OD1 2.91Å
288C97.1Very high98.7Very high13 Ų1314 Ų149%0.0888%0.076CC..THydrogen-bonded Turntrans-61.1-30.6-174.455.40000112.5E254 A290 F387 L415E254-C288 WeakPolarHBondContact OE1-CB 3.45Å; E254-C288 PolarHBondContact OE1-SG 3.12Å; C288-A290 VanDerWaalsContact C-N 3.34Å; C288-F387 HydrophobicContact CB-CE2 4.35Å; C288-L415 HydrophobicContact CB-CD2 3.79Å; C288-L415 VanDerWaalsContact O-CD2 3.25Å; C288-L415 WeakPolarHBondContact O-CD2 3.48Å
289I98.6Very high98.7Very high7 Ų715.8 Ų15.84%0.0369%0.089CC..THydrogen-bonded Turntrans-88.23.8176.862.7171000113.9N287 A291 L415 A416 F440 Y444 T447 F453N287-I289 PolarHBondContact O-N 2.62Å; N287-I289 WeakPolarHBondContact OD1-CG1 3.34Å; I289-A291 PolarHBondContact O-N 2.97Å; I289-L415 HydrophobicContact CG2-CD2 4.44Å; I289-L415 HydrophobicContact CG2-CG 4.4Å; I289-A416 HydrophobicContact CB-CB 3.79Å; I289-A416 HydrophobicContact CG2-CB 3.84Å; I289-F440 HydrophobicContact CD1-CE2 4.17Å; I289-F440 HydrophobicContact CD1-CZ 4.02Å; I289-Y444 WeakPolarHBondContact O-CE1 3.22Å; I289-Y444 PolarHBondContact O-OH 2.91Å; I289-T447 HydrophobicContact CD1-CG2 3.91Å; I289-F453 HydrophobicContact CG2-CD2 4.29Å; I289-F453 HydrophobicContact CG2-CE2 3.21Å; I289-F453 HydrophobicContact CG2-CZ 3.52Å
290A98.8Very high98.7Very high17 Ų1716.6 Ų16.614%0.149%0.093CC..  trans-52.2141.3-178.600000111.5S259 S279 N287 C288 G292S259-A290 WeakPolarHBondContact CB-O 3.37Å; S279-A290 CarbonylContact O-C 3.57Å; S279-A290 WeakPolarHBondContact O-CA 3.24Å; N287-A290 HydrophobicContact CB-CB 4.19Å; N287-A290 WeakPolarHBondContact O-CB 3.15Å; N287-A290 PolarHBondContact O-N 3.4Å; C288-A290 VanDerWaalsContact C-N 3.34Å; A290-G292 VanDerWaalsContact C-N 3.32Å; A290-G292 PolarHBondContact O-N 3.49Å
291A98.9Very high98.7Very high2 Ų216.7 Ų16.72%0.0179%0.093CC..EExtended strand (participates in β ladder)trans-70.790.8176.300000109.5S259 L261 S279 V280 I289 R293 L294 Y444S259-A291 CarbonylContact O-C 3.42Å; S259-A291 WeakPolarHBondContact O-CA 3.5Å; L261-A291 HydrophobicContact CB-CB 3.82Å; L261-A291 HydrophobicContact CD2-CB 4.37Å; S279-A291 PolarHBondContact O-N 3.26Å; S279-A291 VanDerWaalsContact OG-CB 3.27Å; S279-A291 WeakPolarHBondContact OG-CB 3.4Å; V280-A291 HydrophobicContact CG2-CB 4.42Å; I289-A291 PolarHBondContact O-N 2.97Å; A291-R293 PolarHBondContact O-N 3.28Å; A291-L294 HydrophobicContact CB-CD1 3.78Å; A291-Y444 HydrophobicContact CB-CE1 4.19Å; A291-Y444 HydrophobicContact CB-CE2 4.41Å
292G98.5Very high98.7Very high10 Ų1021.2 Ų21.210%0.10312%0.118CC..EExtended strand (participates in β ladder)trans-71.7-13.2-178.600000113.9K258 S259 A290K258-G292 WeakPolarHBondContact CE-O 3.24Å; K258-G292 PolarHBondContact NZ-O 3.02Å; S259-G292 PolarHBondContact O-N 3.31Å; A290-G292 VanDerWaalsContact C-N 3.32Å; A290-G292 PolarHBondContact O-N 3.49Å
293R98.9Very high98.7Very high5 Ų523.2 Ų23.22%0.01913%0.128CC..EExtended strand (participates in β ladder)trans-141.8133.6169.2-66.6-174.8-72.7-172.97.9110K258 S259 P260 L261 A291 F295 A382 V392 R407 A408 D410K258-R293 HydrophobicContact CD-CG 4.45Å; K258-R293 HydrophobicContact CG-CG 4.29Å; S259-R293 PolarHBondContact O-N 3.42Å; P260-R293 CarbonylContact C-O 3.43Å; P260-R293 WeakPolarHBondContact CA-O 3.27Å; L261-R293 PolarHBondContact N-O 2.94Å; A291-R293 PolarHBondContact O-N 3.28Å; R293-F295 HydrophobicContact CB-CE2 3.89Å; R293-F295 HydrophobicContact CB-CZ 4.27Å; R293-A382 VanDerWaalsContact CD-O 3.23Å; R293-A382 WeakPolarHBondContact CD-O 3.5Å; R293-V392 WeakPolarHBondContact CA-O 3.29Å; R293-R407 PolarHBondContact NH1-O 2.98Å; R293-R407 PolarHBondContact NH2-O 3.35Å; R293-R407 VanDerWaalsContact NH2-O 3.13Å; R293-A408 PolarHBondContact NH2-O 3.23Å; R293-D410 PolarHBondContact NH1-O 3.33Å
294L98.9Very high98.7Very high0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-108.4125.5167.7-80.170.7000108.5L261 I263 V280 A291 V296 Y304 M391 V392 V393 S394L261-L294 HydrophobicContact CB-CG 4.22Å; L261-L294 HydrophobicContact CD2-CD2 4.34Å; L261-L294 HydrophobicContact CD2-CG 4.14Å; L261-L294 CarbonylContact O-C 3.51Å; L261-L294 WeakPolarHBondContact O-CA 3.49Å; I263-L294 HydrophobicContact CD1-CD2 4.25Å; V280-L294 HydrophobicContact CG2-CD1 3.74Å; A291-L294 HydrophobicContact CB-CD1 3.78Å; L294-V296 HydrophobicContact CB-CG2 4.49Å; L294-Y304 HydrophobicContact CD2-CE1 4.2Å; L294-Y304 VanDerWaalsContact CD2-OH 3.28Å; L294-Y304 WeakPolarHBondContact CD2-OH 3.37Å; L294-M391 HydrophobicContact CD1-CG 4.19Å; L294-M391 HydrophobicContact CD2-CE 4.03Å; L294-M391 HydrophobicContact CD2-CG 4.04Å; L294-M391 HydrophobicContact CD2-SD 3.88Å; L294-V392 PolarHBondContact N-O 2.87Å; L294-V393 HydrophobicContact CB-CG1 4.46Å; L294-V393 HydrophobicContact CB-CG2 4.25Å; L294-V393 WeakPolarHBondContact O-CA 3.44Å; L294-S394 PolarHBondContact O-N 2.9Å
295F98.9Very high98.7Very high0 Ų023.2 Ų23.20%013%0.128CC..EExtended strand (participates in β ladder)trans-104114.7170.2-62-84.8000107.7P260 L261 I262 I263 R293 S394 F396 V404 R407 A408P260-F295 HydrophobicContact CB-CD2 4.22Å; P260-F295 HydrophobicContact CB-CE2 3.85Å; L261-F295 PolarHBondContact O-N 2.78Å; I262-F295 CarbonylContact C-O 3.42Å; I262-F295 WeakPolarHBondContact CA-O 3.45Å; I262-F295 HydrophobicContact CG1-CB 4.41Å; I262-F295 HydrophobicContact CG1-CD2 4.36Å; I263-F295 PolarHBondContact N-O 3.22Å; R293-F295 HydrophobicContact CB-CE2 3.89Å; R293-F295 HydrophobicContact CB-CZ 4.27Å; F295-S394 WeakPolarHBondContact CA-O 3.43Å; F295-F396 HydrophobicContact CB-CD1 3.85Å; F295-F396 HydrophobicContact CB-CE1 4.28Å; F295-F396 WeakPolarHBondContact O-CE1 3.42Å; F295-V404 HydrophobicContact CB-CG2 3.54Å; F295-V404 HydrophobicContact CD1-CG2 4.05Å; F295-V404 HydrophobicContact CD2-CG2 4.44Å; F295-V404 HydrophobicContact CG-CG2 3.77Å; F295-R407 HydrophobicContact CE1-CB 4.03Å; F295-R407 HydrophobicContact CZ-CB 4.23Å; F295-A408 HydrophobicContact CD2-CB 4.4Å; F295-A408 HydrophobicContact CE2-CB 4.04Å
296V98.9Very high98.7Very high0 Ų026.3 Ų26.30%015%0.15CC..EExtended strand (participates in β ladder)trans-114.8132.9-177.3-173.90000109.4I263 L294 I300 H301 Y304 V393 S394 K395 F396I263-V296 HydrophobicContact CB-CG2 4.36Å; I263-V296 HydrophobicContact CD1-CG2 4.28Å; L294-V296 HydrophobicContact CB-CG2 4.49Å; V296-I300 HydrophobicContact CG1-CD1 3.97Å; V296-I300 HydrophobicContact CG1-CG1 3.92Å; V296-H301 HydrophobicContact CG1-CB 4.23Å; V296-Y304 HydrophobicContact CG1-CD1 4.41Å; V296-Y304 HydrophobicContact CG1-CG 4.27Å; V296-Y304 HydrophobicContact CG2-CD1 4Å; V296-Y304 HydrophobicContact CG2-CE1 4.1Å; V296-V393 HydrophobicContact CB-CG1 4.4Å; V296-V393 HydrophobicContact CG2-CG1 3.79Å; V296-S394 PolarHBondContact N-O 2.84Å; V296-K395 WeakPolarHBondContact O-CA 3.45Å; V296-F396 VanDerWaalsContact C-CD1 3.43Å; V296-F396 WeakPolarHBondContact O-CD1 3.48Å; V296-F396 PolarHBondContact O-N 3.48Å; V296-F396 VanDerWaalsContact O-N 3.12Å
297E98.8Very high98.7Very high9 Ų930 Ų304%0.04216%0.164CC..EExtended strand (participates in β ladder)trans-64.9138.9-177-154.3169.9-16300110.7I263 F264 S265 S299 I300 H301 F396 D398 G399I263-E297 PolarHBondContact O-N 3.42Å; F264-E297 WeakPolarHBondContact CA-OE2 3.41Å; S265-E297 WeakPolarHBondContact CB-OE2 3.4Å; S265-E297 PolarHBondContact N-OE2 3.15Å; S265-E297 PolarHBondContact OG-OE2 3.2Å; E297-S299 VanDerWaalsContact C-N 3.31Å; E297-S299 PolarHBondContact O-N 3.41Å; E297-I300 HydrophobicContact CB-CG1 4.29Å; E297-I300 WeakPolarHBondContact O-CG1 3.48Å; E297-I300 PolarHBondContact O-N 3.48Å; E297-H301 PolarHBondContact O-N 2.92Å; E297-H301 VanDerWaalsContact O-N 3.1Å; E297-F396 HydrophobicContact CB-CE1 3.82Å; E297-F396 HydrophobicContact CB-CE2 3.93Å; E297-F396 HydrophobicContact CB-CZ 3.49Å; E297-F396 VanDerWaalsContact CB-CZ 3.49Å; E297-F396 HydrophobicContact CG-CD2 4.21Å; E297-F396 HydrophobicContact CG-CE1 4.39Å; E297-F396 HydrophobicContact CG-CE2 3.59Å; E297-F396 HydrophobicContact CG-CZ 3.71Å; E297-D398 WeakPolarHBondContact CG-OD1 3.34Å; E297-D398 VanDerWaalsContact OE1-CA 3.3Å; E297-D398 WeakPolarHBondContact OE1-CA 3.37Å; E297-G399 PolarHBondContact OE1-N 3.1Å
298E98.5Very high98.7Very high103 Ų10329.6 Ų29.648%0.48116%0.161SC..G310 helixtrans-54-43.3-166.2-176170.9-162.800113.3I300 H301 F396E298-I300 VanDerWaalsContact C-N 3.26Å; E298-I300 PolarHBondContact O-N 3.01Å; E298-H301 PolarHBondContact O-N 3.23Å; E298-F396 WeakPolarHBondContact CB-O 3.43Å; E298-F396 PolarHBondContact N-O 2.64Å
299S98.7Very high98.8Very high74 Ų7429.9 Ų29.952%0.51716%0.163SC..G310 helixtrans-62.9-23.4-179.451.40000115.3S265 E297 D398S265-S299 WeakPolarHBondContact CB-OG 3.37Å; E297-S299 VanDerWaalsContact C-N 3.31Å; E297-S299 PolarHBondContact O-N 3.41Å; S299-D398 WeakPolarHBondContact CB-OD1 3.14Å; S299-D398 PolarHBondContact N-OD1 3.46Å; S299-D398 VanDerWaalsContact N-OD1 3.1Å; S299-D398 PolarHBondContact OG-OD1 3.04Å
300I98.8Very high98.8Very high18 Ų1834.4 Ų34.49%0.09218%0.184CC..G310 helixtrans-113.9-5.6-178.362151.7000114I263 M269 V296 E297 E298 D302 E303 Y304I263-I300 HydrophobicContact CG2-CD1 4.05Å; M269-I300 HydrophobicContact CE-CB 3.73Å; M269-I300 HydrophobicContact CE-CD1 4.2Å; M269-I300 HydrophobicContact CE-CG2 4.15Å; V296-I300 HydrophobicContact CG1-CD1 3.97Å; V296-I300 HydrophobicContact CG1-CG1 3.92Å; E297-I300 HydrophobicContact CB-CG1 4.29Å; E297-I300 WeakPolarHBondContact O-CG1 3.48Å; E297-I300 PolarHBondContact O-N 3.48Å; E298-I300 VanDerWaalsContact C-N 3.26Å; E298-I300 PolarHBondContact O-N 3.01Å; I300-D302 PolarHBondContact O-N 3.43Å; I300-E303 PolarHBondContact O-N 3.3Å; I300-Y304 WeakPolarHBondContact O-CB 3.49Å; I300-Y304 PolarHBondContact O-N 3.02Å
301H98.8Very high98.8Very high5 Ų537 Ų372%0.02319%0.193CC..Hα-helixtrans-56.2-54.9-171.5171.9-79.1000113.4V296 E297 E298 E303 Y304 I305 K395V296-H301 HydrophobicContact CG1-CB 4.23Å; E297-H301 PolarHBondContact O-N 2.92Å; E297-H301 VanDerWaalsContact O-N 3.1Å; E298-H301 PolarHBondContact O-N 3.23Å; H301-E303 VanDerWaalsContact C-N 3.31Å; H301-E303 PolarHBondContact O-N 2.92Å; H301-Y304 WeakPolarHBondContact O-CB 3.38Å; H301-Y304 PolarHBondContact O-N 3.36Å; H301-I305 WeakPolarHBondContact O-CG1 3.42Å; H301-I305 PolarHBondContact O-N 3.27Å; H301-K395 HydrophobicContact CB-CD 4.34Å; H301-K395 HydrophobicContact CB-CG 4.1Å; H301-K395 WeakPolarHBondContact CD2-CG 3.47Å; H301-K395 WeakPolarHBondContact CE1-CE 3.25Å; H301-K395 VanDerWaalsContact CG-CE 3.43Å; H301-K395 WeakPolarHBondContact ND1-CE 3.31Å
302D98.6Very high98.7Very high107 Ų10737 Ų3757%0.57219%0.193SC*.Hα-helixtrans-67.6-36.6-170.5-62.9-9.3000111.2I300 S306 K395I300-D302 PolarHBondContact O-N 3.43Å; D302-S306 PolarHBondContact O-N 3.21Å; D302-K395 IonicContact OD1-NZ 2.63Å; D302-K395 PolarHBondContact OD1-NZ 2.86Å; D302-K395 IonicContact OD2-NZ 3.99Å
303E98.8Very high98.7Very high94 Ų9443.3 Ų43.344%0.43922%0.217SC..Hα-helixtrans-65-45.6172.9-178.3175.8-177.600111.8M269 I300 H301 I305 S306 R307M269-E303 HydrophobicContact CE-CB 4.47Å; M269-E303 HydrophobicContact CE-CG 4.29Å; I300-E303 PolarHBondContact O-N 3.3Å; H301-E303 VanDerWaalsContact C-N 3.31Å; H301-E303 PolarHBondContact O-N 2.92Å; E303-I305 VanDerWaalsContact C-N 3.34Å; E303-I305 PolarHBondContact O-N 2.88Å; E303-S306 PolarHBondContact O-N 3.47Å; E303-R307 WeakPolarHBondContact O-CG 3.36Å; E303-R307 PolarHBondContact O-N 3.09Å; E303-R307 IonicContact OE1-CZ 2.68Å; E303-R307 IonicContact OE1-NE 3.3Å; E303-R307 PolarHBondContact OE1-NE 3.41Å; E303-R307 IonicContact OE1-NH2 3.18Å; E303-R307 PolarHBondContact OE1-NH2 3.22Å
304Y98.9Very high98.6Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-57.2-47.3176.6176.1-90.2000111.1I263 M269 A272 V273 G276 L294 V296 I300 H301 R307 V308 M391I263-Y304 HydrophobicContact CD1-CD2 4.49Å; I263-Y304 HydrophobicContact CD1-CE1 4.43Å; I263-Y304 HydrophobicContact CD1-CE2 3.67Å; M269-Y304 HydrophobicContact SD-CD2 4.05Å; A272-Y304 HydrophobicContact CB-CE2 4.39Å; V273-Y304 HydrophobicContact CB-CE2 4.44Å; V273-Y304 HydrophobicContact CG2-CD2 3.7Å; V273-Y304 HydrophobicContact CG2-CE2 3.89Å; G276-Y304 WeakPolarHBondContact CA-OH 3.41Å; L294-Y304 HydrophobicContact CD2-CE1 4.2Å; L294-Y304 VanDerWaalsContact CD2-OH 3.28Å; L294-Y304 WeakPolarHBondContact CD2-OH 3.37Å; V296-Y304 HydrophobicContact CG1-CD1 4.41Å; V296-Y304 HydrophobicContact CG1-CG 4.27Å; V296-Y304 HydrophobicContact CG2-CD1 4Å; V296-Y304 HydrophobicContact CG2-CE1 4.1Å; I300-Y304 WeakPolarHBondContact O-CB 3.49Å; I300-Y304 PolarHBondContact O-N 3.02Å; H301-Y304 WeakPolarHBondContact O-CB 3.38Å; H301-Y304 PolarHBondContact O-N 3.36Å; Y304-R307 PolarHBondContact O-N 3.08Å; Y304-V308 HydrophobicContact CD1-CG2 4.07Å; Y304-V308 HydrophobicContact CE1-CG2 3.63Å; Y304-V308 HydrophobicContact CE2-CG2 4.3Å; Y304-V308 WeakPolarHBondContact O-CG2 3.49Å; Y304-V308 PolarHBondContact O-N 3Å; Y304-M391 HydrophobicContact CE1-SD 4.46Å
305I98.9Very high98.6Very high14 Ų1451.4 Ų51.47%0.07225%0.254CS..Hα-helixtrans-63.9-42.7179-63.6-60.6000111.7H301 E303 R307 V308 V309 V354 V371 T373 V393H301-I305 WeakPolarHBondContact O-CG1 3.42Å; H301-I305 PolarHBondContact O-N 3.27Å; E303-I305 VanDerWaalsContact C-N 3.34Å; E303-I305 PolarHBondContact O-N 2.88Å; I305-R307 PolarHBondContact O-N 2.96Å; I305-V308 PolarHBondContact O-N 3.49Å; I305-V309 WeakPolarHBondContact O-CG2 3.44Å; I305-V309 PolarHBondContact O-N 2.9Å; I305-V354 HydrophobicContact CG2-CG1 4.17Å; I305-V354 HydrophobicContact CG2-CG2 4.5Å; I305-V371 HydrophobicContact CD1-CG1 4.37Å; I305-T373 HydrophobicContact CD1-CG2 3.75Å; I305-T373 HydrophobicContact CG1-CG2 3.82Å; I305-T373 HydrophobicContact CG2-CG2 4.07Å; I305-V393 HydrophobicContact CD1-CB 4.1Å; I305-V393 HydrophobicContact CD1-CG1 3.95Å; I305-V393 HydrophobicContact CD1-CG2 3.77Å
306S98.8Very high98.6Very high65 Ų6555.5 Ų55.546%0.45527%0.272SS..Hα-helixtrans-57.6-48.9175.8-170.20000111.6D302 E303 V308 V309 E310D302-S306 PolarHBondContact O-N 3.21Å; E303-S306 PolarHBondContact O-N 3.47Å; S306-V308 PolarHBondContact O-N 3.41Å; S306-V309 PolarHBondContact O-N 3.12Å; S306-E310 WeakPolarHBondContact O-CG 3.48Å; S306-E310 PolarHBondContact O-N 3.16Å
307R98.8Very high98.6Very high78 Ų7857.5 Ų57.529%0.29428%0.282SS..Hα-helixtrans-64.3-40.1179.1-68.4177.6-179.2-135.85.2112.1D270 V273 E303 Y304 I305 V309 E310 E311D270-R307 IonicContact OD1-CZ 2.89Å; D270-R307 IonicContact OD1-NH1 3.05Å; D270-R307 PolarHBondContact OD1-NH1 3.41Å; V273-R307 HydrophobicContact CG1-CB 4.26Å; V273-R307 HydrophobicContact CG2-CB 3.82Å; E303-R307 WeakPolarHBondContact O-CG 3.36Å; E303-R307 PolarHBondContact O-N 3.09Å; E303-R307 IonicContact OE1-CZ 2.68Å; E303-R307 IonicContact OE1-NE 3.3Å; E303-R307 PolarHBondContact OE1-NE 3.41Å; E303-R307 IonicContact OE1-NH2 3.18Å; E303-R307 PolarHBondContact OE1-NH2 3.22Å; Y304-R307 PolarHBondContact O-N 3.08Å; I305-R307 PolarHBondContact O-N 2.96Å; R307-V309 PolarHBondContact O-N 3.16Å; R307-E310 PolarHBondContact O-N 3.13Å; R307-E311 WeakPolarHBondContact O-CG 3.35Å; R307-E311 PolarHBondContact O-N 3.25Å
308V98.8Very high98.6Very high0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-58.8-47.3174165.70000111V273 M277 Y304 I305 S306 E310 E311 I312 V371 M391V273-V308 HydrophobicContact CG1-CG2 4.03Å; M277-V308 HydrophobicContact CG-CG1 4.35Å; M277-V308 HydrophobicContact CG-CG2 4.38Å; Y304-V308 HydrophobicContact CD1-CG2 4.07Å; Y304-V308 HydrophobicContact CE1-CG2 3.63Å; Y304-V308 HydrophobicContact CE2-CG2 4.3Å; Y304-V308 WeakPolarHBondContact O-CG2 3.49Å; Y304-V308 PolarHBondContact O-N 3Å; I305-V308 PolarHBondContact O-N 3.49Å; S306-V308 PolarHBondContact O-N 3.41Å; V308-E310 VanDerWaalsContact C-N 3.33Å; V308-E310 PolarHBondContact O-N 3.4Å; V308-E311 PolarHBondContact O-N 3.05Å; V308-I312 HydrophobicContact CG1-CD1 3.67Å; V308-I312 HydrophobicContact CG1-CG1 4.25Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.18Å; V308-I312 PolarHBondContact O-N 3.47Å; V308-V371 HydrophobicContact CG1-CG2 4.14Å; V308-M391 HydrophobicContact CG1-CE 4.19Å; V308-M391 HydrophobicContact CG1-SD 3.87Å; V308-M391 HydrophobicContact CG2-SD 4.37Å
309V98.7Very high98.6Very high19 Ų1955.6 Ų55.612%0.11528%0.276CS..Hα-helixtrans-64.5-37.8179.7171.50000111.7I305 S306 R307 I312 K313 V354 Y355I305-V309 WeakPolarHBondContact O-CG2 3.44Å; I305-V309 PolarHBondContact O-N 2.9Å; S306-V309 PolarHBondContact O-N 3.12Å; R307-V309 PolarHBondContact O-N 3.16Å; V309-I312 PolarHBondContact O-N 3.41Å; V309-K313 HydrophobicContact CG1-CD 4.39Å; V309-K313 WeakPolarHBondContact O-CG 3.4Å; V309-K313 PolarHBondContact O-N 3.26Å; V309-V354 HydrophobicContact CG2-CG1 3.72Å; V309-Y355 HydrophobicContact CG1-CD2 4.46Å
310E98.6Very high98.6Very high103 Ų10352.1 Ų52.148%0.48125%0.252SS..Hα-helixtrans-61.5-41.7174.5-74.9175.5-164.600112.6S306 R307 V308S306-E310 WeakPolarHBondContact O-CG 3.48Å; S306-E310 PolarHBondContact O-N 3.16Å; R307-E310 PolarHBondContact O-N 3.13Å; V308-E310 VanDerWaalsContact C-N 3.33Å; V308-E310 PolarHBondContact O-N 3.4Å
311E98.5Very high98.6Very high70 Ų7054.5 Ų54.533%0.32726%0.264SS..Hα-helixtrans-73.1-38.6177.4-68.5-55.2131.200112.4V273 M277 R307 V308 K313 K314V273-E311 HydrophobicContact CG1-CG 4.19Å; M277-E311 HydrophobicContact CE-CB 3.64Å; M277-E311 HydrophobicContact SD-CB 3.25Å; M277-E311 WeakPolarHBondContact SD-CB 3.09Å; M277-E311 HydrophobicContact SD-CG 4.01Å; R307-E311 WeakPolarHBondContact O-CG 3.35Å; R307-E311 PolarHBondContact O-N 3.25Å; V308-E311 PolarHBondContact O-N 3.05Å; E311-K313 VanDerWaalsContact C-N 3.26Å; E311-K313 PolarHBondContact O-N 2.96Å; E311-K314 WeakPolarHBondContact O-CB 3.49Å; E311-K314 PolarHBondContact O-N 3.06Å; E311-K314 IonicContact OE1-NZ 3.76Å; E311-K314 PolarHBondContact OE1-NZ 3.43Å; E311-K314 IonicContact OE2-NZ 3.14Å
312I97.9Very high98.6Very high3 Ų357.2 Ų57.22%0.01528%0.279CS..Hα-helixtrans-57.7-41.2175.7-73.2171.4000111M277 F281 V308 V309 K314 M315 Y355 P369 V371M277-I312 HydrophobicContact CE-CG1 3.82Å; F281-I312 HydrophobicContact CE2-CD1 3.7Å; F281-I312 HydrophobicContact CE2-CG1 3.86Å; F281-I312 HydrophobicContact CZ-CD1 3.63Å; F281-I312 HydrophobicContact CZ-CG1 4.23Å; V308-I312 HydrophobicContact CG1-CD1 3.67Å; V308-I312 HydrophobicContact CG1-CG1 4.25Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.18Å; V308-I312 PolarHBondContact O-N 3.47Å; V309-I312 PolarHBondContact O-N 3.41Å; I312-K314 PolarHBondContact O-N 2.9Å; I312-K314 VanDerWaalsContact O-N 3.11Å; I312-M315 HydrophobicContact CG1-SD 4.42Å; I312-M315 WeakPolarHBondContact O-CB 3.28Å; I312-M315 PolarHBondContact O-N 2.69Å; I312-Y355 HydrophobicContact CG2-CD1 3.69Å; I312-Y355 HydrophobicContact CG2-CE1 3.33Å; I312-P369 HydrophobicContact CG2-CB 3.88Å; I312-P369 HydrophobicContact CG2-CG 4.34Å; I312-V371 HydrophobicContact CD1-CG2 3.34Å
313K97.8Very high98.5Very high142 Ų14259 Ų5962%0.61728%0.278SS*.THydrogen-bonded Turntrans-62.9-16.9178.1-72.9170.5-177.9172.80113.7V309 E311 Y355V309-K313 HydrophobicContact CG1-CD 4.39Å; V309-K313 WeakPolarHBondContact O-CG 3.4Å; V309-K313 PolarHBondContact O-N 3.26Å; E311-K313 VanDerWaalsContact C-N 3.26Å; E311-K313 PolarHBondContact O-N 2.96Å; K313-Y355 HydrophobicContact CG-CE2 4.2Å
314K98.2Very high98.5Very high136 Ų13657.1 Ų57.159%0.59128%0.275SS*.THydrogen-bonded Turntrans-88.8-15.9176.4-58.9170.3-167.9171.10112.6E311 I312 K316E311-K314 WeakPolarHBondContact O-CB 3.49Å; E311-K314 PolarHBondContact O-N 3.06Å; E311-K314 IonicContact OE1-NZ 3.76Å; E311-K314 PolarHBondContact OE1-NZ 3.43Å; E311-K314 IonicContact OE2-NZ 3.14Å; I312-K314 PolarHBondContact O-N 2.9Å; I312-K314 VanDerWaalsContact O-N 3.11Å; K314-K316 PolarHBondContact O-N 3.29Å
315M98Very high98.5Very high39 Ų3957.3 Ų57.319%0.19228%0.276CS..  trans-67.3125.4-178.3-66.9177.559.400111.1M277 F281 I312 I317 D326 H327 P369M277-M315 HydrophobicContact CE-CG 4.46Å; M277-M315 HydrophobicContact CE-SD 3.86Å; F281-M315 HydrophobicContact CB-CE 4.25Å; F281-M315 HydrophobicContact CD2-SD 4.49Å; I312-M315 HydrophobicContact CG1-SD 4.42Å; I312-M315 WeakPolarHBondContact O-CB 3.28Å; I312-M315 PolarHBondContact O-N 2.69Å; M315-I317 PolarHBondContact O-N 2.98Å; M315-D326 HydrophobicContact CB-CB 4.48Å; M315-H327 HydrophobicContact CE-CB 3.86Å; M315-P369 HydrophobicContact CE-CG 4.03Å; M315-P369 HydrophobicContact SD-CG 4.24Å
316K98.6Very high98.5Very high86 Ų8661.5 Ų61.537%0.37430%0.299SS..  trans-84.3112.4174.9-174.3170.8171.6-172.70110.8K314 D322 S324 D326 H327K314-K316 PolarHBondContact O-N 3.29Å; K316-D322 IonicContact NZ-OD1 2.71Å; K316-D322 IonicContact NZ-OD2 3.91Å; K316-D322 PolarHBondContact NZ-OD2 3.16Å; K316-S324 WeakPolarHBondContact CB-O 3.46Å; K316-S324 WeakPolarHBondContact CD-O 3.19Å; K316-S324 PolarHBondContact NZ-OG 3.42Å; K316-D326 PolarHBondContact N-OD2 3.02Å; K316-D326 PolarHBondContact O-N 2.88Å; K316-H327 PolarHBondContact O-N 2.97Å; K316-H327 VanDerWaalsContact O-N 3.11Å
317I98.9Very high98.5Very high42 Ų4258.4 Ų58.422%0.21528%0.277CS..BIsolated β-bridgetrans-86.1123.7172.2-53.3177.6000109.3M315 H327 V360 R362 F366M315-I317 PolarHBondContact O-N 2.98Å; I317-H327 WeakPolarHBondContact CA-O 3.44Å; I317-H327 HydrophobicContact CG1-CB 4.16Å; I317-V360 HydrophobicContact CD1-CG2 4.06Å; I317-V360 HydrophobicContact CG2-CG2 4.35Å; I317-R362 PolarHBondContact O-NH1 2.89Å; I317-F366 HydrophobicContact CG2-CD1 3.6Å; I317-F366 HydrophobicContact CG2-CE1 4.19Å; I317-F366 HydrophobicContact CG2-CG 4.39Å
318G98.6Very high98.5Very high4 Ų454.8 Ų54.84%0.04126%0.264CS..  trans-167.4-179.8-167.700000116.4H327 F366G318-H327 PolarHBondContact N-O 2.72Å; G318-H327 VanDerWaalsContact N-O 3.15Å; G318-F366 WeakPolarHBondContact O-CE1 3.35Å; G318-F366 WeakPolarHBondContact O-CZ 3.39Å
319D98.8Very high98.5Very high68 Ų6854.8 Ų54.836%0.36426%0.264SS..  trans-56126.8169.7-176.2-29.7000108.9T26 L321 D322 T325T26-D319 HydrophobicContact CG2-CB 4.41Å; D319-L321 PolarHBondContact O-N 3.36Å; D319-L321 VanDerWaalsContact O-N 3.08Å; D319-L321 WeakPolarHBondContact OD1-CB 3.41Å; D319-L321 PolarHBondContact OD1-N 3.47Å; D319-D322 HydrophobicContact CB-CB 4.44Å; D319-D322 WeakPolarHBondContact O-CB 3.26Å; D319-D322 PolarHBondContact O-N 2.91Å; D319-T325 WeakPolarHBondContact O-CB 3.4Å; D319-T325 PolarHBondContact O-OG1 3.46Å
320P98.7Very high98.5Very high1 Ų153.9 Ų53.91%0.00626%0.258CS..THydrogen-bonded Turntrans-54.4-24.8177.7-28.737.4000114.8T26 G93 A94 Y96 P329T26-P320 WeakPolarHBondContact OG1-CD 3.45Å; G93-P320 WeakPolarHBondContact O-CG 3.41Å; A94-P320 WeakPolarHBondContact O-CB 3.34Å; Y96-P320 VanDerWaalsContact CB-O 3.31Å; Y96-P320 WeakPolarHBondContact CB-O 3.4Å; Y96-P320 PolarHBondContact N-O 3.38Å; P320-P329 VanDerWaalsContact CG-CD 3.45Å; P320-P329 HydrophobicContact CG-CG 4.17Å
321L98.7Very high98.5Very high68 Ų6849.1 Ų49.136%0.35624%0.236SC..THydrogen-bonded Turntrans-83.7-19.7179.5-61.6176.7000113.2T86 I90 Y96 D319 R323T86-L321 HydrophobicContact CG2-CD2 4.27Å; I90-L321 HydrophobicContact CG1-CD1 4.42Å; Y96-L321 HydrophobicContact CD2-CD2 4.19Å; D319-L321 PolarHBondContact O-N 3.36Å; D319-L321 VanDerWaalsContact O-N 3.08Å; D319-L321 WeakPolarHBondContact OD1-CB 3.41Å; D319-L321 PolarHBondContact OD1-N 3.47Å; L321-R323 PolarHBondContact O-N 3.49Å; L321-R323 PolarHBondContact O-NH1 3.08Å
322D98.6Very high98.5Very high63 Ų6347.8 Ų47.834%0.33723%0.23SC..SBendtrans-66.9122.4171.3178.5-11.3000109.4K316 D319 S324 T325K316-D322 IonicContact NZ-OD1 2.71Å; K316-D322 IonicContact NZ-OD2 3.91Å; K316-D322 PolarHBondContact NZ-OD2 3.16Å; D319-D322 HydrophobicContact CB-CB 4.44Å; D319-D322 WeakPolarHBondContact O-CB 3.26Å; D319-D322 PolarHBondContact O-N 2.91Å; D322-S324 VanDerWaalsContact CG-OG 3.3Å; D322-S324 PolarHBondContact O-N 2.9Å; D322-S324 VanDerWaalsContact O-N 3.11Å; D322-S324 PolarHBondContact OD1-N 3.33Å; D322-S324 PolarHBondContact OD1-OG 2.83Å; D322-S324 PolarHBondContact OD2-OG 3.18Å; D322-T325 WeakPolarHBondContact O-CB 3.38Å; D322-T325 PolarHBondContact O-N 3.41Å; D322-T325 PolarHBondContact O-OG1 3.38Å
323R97.7Very high98.5Very high144 Ų14451.6 Ų51.654%0.54325%0.246SC..THydrogen-bonded Turntrans-62.2-19-176.5-68.7-67.9-177-99.97.4114.3Y96 L321Y96-R323 VanDerWaalsContact CG-NH1 3.28Å; L321-R323 PolarHBondContact O-N 3.49Å; L321-R323 PolarHBondContact O-NH1 3.08Å
324S98.2Very high98.6Very high55 Ų5547.5 Ų47.539%0.38524%0.239SC..THydrogen-bonded Turntrans-96.4-2.6179.158.60000113.6K316 D322K316-S324 WeakPolarHBondContact CB-O 3.46Å; K316-S324 WeakPolarHBondContact CD-O 3.19Å; K316-S324 PolarHBondContact NZ-OG 3.42Å; D322-S324 VanDerWaalsContact CG-OG 3.3Å; D322-S324 PolarHBondContact O-N 2.9Å; D322-S324 VanDerWaalsContact O-N 3.11Å; D322-S324 PolarHBondContact OD1-N 3.33Å; D322-S324 PolarHBondContact OD1-OG 2.83Å; D322-S324 PolarHBondContact OD2-OG 3.18Å
325T98.8Very high98.6Very high3 Ų341.7 Ų41.72%0.01821%0.214CC..  trans-69.4131.1175.6-65.30000110.6V95 D319 D322 H327V95-T325 HydrophobicContact CG1-CG2 4.43Å; V95-T325 VanDerWaalsContact CG1-O 3.25Å; V95-T325 WeakPolarHBondContact CG1-O 3.4Å; V95-T325 HydrophobicContact CG2-CG2 3.86Å; D319-T325 WeakPolarHBondContact O-CB 3.4Å; D319-T325 PolarHBondContact O-OG1 3.46Å; D322-T325 WeakPolarHBondContact O-CB 3.38Å; D322-T325 PolarHBondContact O-N 3.41Å; D322-T325 PolarHBondContact O-OG1 3.38Å; T325-H327 WeakPolarHBondContact CG2-O 3.46Å
326D98.2Very high98.7Very high102 Ų10239.9 Ų39.955%0.54521%0.205SC..SBendtrans-100.6-31.1172.2-56.7-62.6000111.7M315 K316M315-D326 HydrophobicContact CB-CB 4.48Å; K316-D326 PolarHBondContact N-OD2 3.02Å; K316-D326 PolarHBondContact O-N 2.88Å
327H98.8Very high98.7Very high1 Ų138.5 Ų38.51%0.00520%0.202CC..BIsolated β-bridgetrans-131.3113.6-173-172.976.6000111.6K284 M315 K316 I317 G318 T325 M367K284-H327 VanDerWaalsContact CB-CE1 3.47Å; K284-H327 WeakPolarHBondContact CB-CE1 3.32Å; M315-H327 HydrophobicContact CE-CB 3.86Å; K316-H327 PolarHBondContact O-N 2.97Å; K316-H327 VanDerWaalsContact O-N 3.11Å; I317-H327 WeakPolarHBondContact CA-O 3.44Å; I317-H327 HydrophobicContact CG1-CB 4.16Å; G318-H327 PolarHBondContact N-O 2.72Å; G318-H327 VanDerWaalsContact N-O 3.15Å; T325-H327 WeakPolarHBondContact CG2-O 3.46Å; H327-M367 PolarHBondContact NE2-O 2.9Å
328G98.8Very high98.7Very high1 Ų143.1 Ų43.11%0.0122%0.22CC..  trans-87.5-177.1179.400000113.6
329P98.9Very high98.7Very high0 Ų042.9 Ų42.90%022%0.218CC..  trans-73160.3174.632.6-33.2000111.2P25 P320 F366P25-P329 HydrophobicContact CB-CB 4.13Å; P25-P329 HydrophobicContact CB-CG 3.92Å; P25-P329 HydrophobicContact CG-CG 4Å; P25-P329 WeakPolarHBondContact O-CB 3.45Å; P320-P329 VanDerWaalsContact CG-CD 3.45Å; P320-P329 HydrophobicContact CG-CG 4.17Å; P329-F366 HydrophobicContact CB-CD1 3.86Å; P329-F366 HydrophobicContact CB-CD2 3.93Å; P329-F366 HydrophobicContact CB-CE1 3.75Å; P329-F366 HydrophobicContact CB-CE2 3.81Å; P329-F366 HydrophobicContact CB-CG 3.96Å; P329-F366 HydrophobicContact CB-CZ 3.72Å; P329-F366 VanDerWaalsContact CD-CE1 3.44Å; P329-F366 HydrophobicContact CG-CE1 4.07Å; P329-F366 HydrophobicContact CG-CE2 4.32Å; P329-F366 HydrophobicContact CG-CZ 3.89Å
330Q98.9Very high98.7Very high0 Ų041.2 Ų41.20%021%0.209CC..  trans-67.4151.5164.6-53.4-51.4145.500110.6P25 K284 E286 H332 L336 L339 F365 M367P25-Q330 WeakPolarHBondContact CB-O 3.48Å; K284-Q330 PolarHBondContact O-NE2 3.4Å; K284-Q330 VanDerWaalsContact O-NE2 3.07Å; E286-Q330 VanDerWaalsContact OE1-CA 3.22Å; E286-Q330 WeakPolarHBondContact OE1-CA 3.33Å; E286-Q330 WeakPolarHBondContact OE1-CB 2.78Å; E286-Q330 PolarHBondContact OE1-NE2 3.26Å; Q330-H332 PolarHBondContact O-N 2.89Å; Q330-L336 HydrophobicContact CB-CB 4.48Å; Q330-L336 HydrophobicContact CG-CD1 4.24Å; Q330-L339 HydrophobicContact CG-CD1 3.81Å; Q330-F365 WeakPolarHBondContact CB-O 3.41Å; Q330-F365 PolarHBondContact N-O 3.17Å; Q330-M367 HydrophobicContact CG-CB 3.95Å
331N98.9Very high98.7Very high3 Ų346.8 Ų46.82%0.01624%0.235CC..SBendtrans-59.2-39.6-166.8-178.7-101.7000114.9P25 S92 W154 V182 T183 E286P25-N331 WeakPolarHBondContact CB-O 3.19Å; S92-N331 VanDerWaalsContact CA-ND2 3.28Å; S92-N331 WeakPolarHBondContact CA-ND2 3.33Å; S92-N331 WeakPolarHBondContact CB-ND2 3.38Å; S92-N331 PolarHBondContact O-ND2 2.89Å; W154-N331 HydrophobicContact CE3-CB 3.5Å; W154-N331 VanDerWaalsContact CE3-CG 3.46Å; W154-N331 HydrophobicContact CZ3-CB 3.51Å; W154-N331 PolarHBondContact O-ND2 3.4Å; V182-N331 WeakPolarHBondContact CG2-OD1 3.5Å; T183-N331 WeakPolarHBondContact CG2-ND2 3.26Å; E286-N331 PolarHBondContact OE1-N 2.61Å; E286-N331 WeakPolarHBondContact OE2-CB 3.45Å
332H98.9Very high98.7Very high42 Ų4244.2 Ų44.219%0.19422%0.221CC..SBendtrans-156.9157.4-179.158.1-81.7000111.5W154 V182 Q330 A334 H335 L336W154-H332 AromaticContact CE2-CE1 3.81Å; W154-H332 AromaticContact CZ2-CE1 3.96Å; V182-H332 HydrophobicContact CB-CB 4.47Å; V182-H332 HydrophobicContact CG1-CB 4.28Å; Q330-H332 PolarHBondContact O-N 2.89Å; H332-A334 PolarHBondContact O-N 2.91Å; H332-H335 WeakPolarHBondContact O-CB 3.45Å; H332-H335 PolarHBondContact O-N 3.06Å; H332-L336 PolarHBondContact O-N 2.59Å
333K98.8Very high98.7Very high83 Ų8341.3 Ų41.336%0.36121%0.206SC..Hα-helixtrans-53.6-47.1-173-178.652.8176.4157.20114H335 L336 D337 F365K333-H335 PolarHBondContact O-N 3.48Å; K333-L336 WeakPolarHBondContact O-CB 3.06Å; K333-L336 PolarHBondContact O-N 3.22Å; K333-L336 VanDerWaalsContact O-N 3.12Å; K333-D337 WeakPolarHBondContact CE-OD1 3.38Å; K333-D337 WeakPolarHBondContact CE-OD2 3.47Å; K333-D337 IonicContact NZ-OD1 2.78Å; K333-D337 PolarHBondContact NZ-OD1 3.32Å; K333-D337 IonicContact NZ-OD2 3.61Å; K333-D337 PolarHBondContact O-N 3.05Å; K333-F365 HydrophobicContact CB-CD1 4.08Å; K333-F365 HydrophobicContact CB-CD2 4.47Å; K333-F365 HydrophobicContact CB-CE1 3.8Å; K333-F365 HydrophobicContact CB-CE2 4.2Å; K333-F365 HydrophobicContact CB-CG 4.43Å; K333-F365 HydrophobicContact CB-CZ 3.87Å; K333-F365 HydrophobicContact CD-CD1 3.96Å; K333-F365 HydrophobicContact CD-CE1 4.06Å; K333-F365 HydrophobicContact CG-CE1 4.28Å
334A98.8Very high98.8Very high57 Ų5741 Ų4147%0.47121%0.21SC..Hα-helixtrans-63.6-25.1-17900000113.4H332 K338H332-A334 PolarHBondContact O-N 2.91Å; A334-K338 WeakPolarHBondContact O-CG 3.36Å; A334-K338 PolarHBondContact O-N 2.92Å
335H98.9Very high98.8Very high14 Ų1440.4 Ų40.47%0.06520%0.204CC..Hα-helixtrans-76.7-43.6173.3-174.652.1000111.5W154 E286 H332 K333 D337 K338 L339 F387W154-H335 HydrophobicContact CH2-CB 4.34Å; W154-H335 AromaticContact CH2-CD2 3.58Å; W154-H335 AromaticContact CH2-CE1 3.94Å; W154-H335 AromaticContact CH2-CG 3.66Å; W154-H335 AromaticContact CH2-ND1 3.88Å; W154-H335 AromaticContact CH2-NE2 3.74Å; E286-H335 IonicContact OE1-CD2 2.76Å; E286-H335 PolarHBondContact OE1-CD2 3.04Å; E286-H335 VanDerWaalsContact OE1-CD2 3.3Å; E286-H335 IonicContact OE1-NE2 3.46Å; H332-H335 WeakPolarHBondContact O-CB 3.45Å; H332-H335 PolarHBondContact O-N 3.06Å; K333-H335 PolarHBondContact O-N 3.48Å; H335-D337 VanDerWaalsContact C-N 3.29Å; H335-D337 PolarHBondContact O-N 2.85Å; H335-K338 PolarHBondContact O-N 2.76Å; H335-L339 WeakPolarHBondContact O-CG 3.36Å; H335-L339 PolarHBondContact O-N 2.83Å; H335-F387 PolarHBondContact CE1-O 3.22Å; H335-F387 VanDerWaalsContact CE1-O 3.29Å; H335-F387 PolarHBondContact NE2-O 2.72Å
336L98.9Very high98.8Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-55.3-46.8173.1175.566.8000111.3Q330 H332 K333 K338 L339 L340 Q359 F365 M367Q330-L336 HydrophobicContact CB-CB 4.48Å; Q330-L336 HydrophobicContact CG-CD1 4.24Å; H332-L336 PolarHBondContact O-N 2.59Å; K333-L336 WeakPolarHBondContact O-CB 3.06Å; K333-L336 PolarHBondContact O-N 3.22Å; K333-L336 VanDerWaalsContact O-N 3.12Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3Å; L336-L339 WeakPolarHBondContact O-CB 3.23Å; L336-L339 PolarHBondContact O-N 2.96Å; L336-L340 HydrophobicContact CD1-CG 4.38Å; L336-L340 HydrophobicContact CG-CD1 4.26Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-Q359 HydrophobicContact CD2-CG 4.01Å; L336-F365 HydrophobicContact CB-CB 4.35Å; L336-F365 HydrophobicContact CD2-CB 3.96Å; L336-M367 HydrophobicContact CD1-CB 3.84Å; L336-M367 HydrophobicContact CD1-CG 4.39Å
337D98.8Very high98.8Very high57 Ų5738.9 Ų38.931%0.30520%0.199SC..Hα-helixtrans-58.8-43.2-179.1-65.6-25.1000111.6K333 H335 L339 L340 E341K333-D337 WeakPolarHBondContact CE-OD1 3.38Å; K333-D337 WeakPolarHBondContact CE-OD2 3.47Å; K333-D337 IonicContact NZ-OD1 2.78Å; K333-D337 PolarHBondContact NZ-OD1 3.32Å; K333-D337 IonicContact NZ-OD2 3.61Å; K333-D337 PolarHBondContact O-N 3.05Å; H335-D337 VanDerWaalsContact C-N 3.29Å; H335-D337 PolarHBondContact O-N 2.85Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 2.87Å; D337-L340 PolarHBondContact O-N 2.93Å; D337-E341 WeakPolarHBondContact O-CG 3.37Å; D337-E341 PolarHBondContact O-N 2.7Å
338K98.8Very high98.8Very high139 Ų13947.6 Ų47.660%0.60424%0.237SC*.Hα-helixtrans-62-37.6174.6-73.2178.7-179.2-1770113.2A334 H335 L336 E341 Y342A334-K338 WeakPolarHBondContact O-CG 3.36Å; A334-K338 PolarHBondContact O-N 2.92Å; H335-K338 PolarHBondContact O-N 2.76Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3Å; K338-E341 PolarHBondContact O-N 3.3Å; K338-Y342 VanDerWaalsContact O-CB 3.28Å; K338-Y342 WeakPolarHBondContact O-CB 2.91Å; K338-Y342 PolarHBondContact O-N 3.21Å
339L98.9Very high98.8Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-67.8-37.6178.5-70.7170.4000111.9Q330 H335 L336 D337 Y342 C343 M367 S386Q330-L339 HydrophobicContact CG-CD1 3.81Å; H335-L339 WeakPolarHBondContact O-CG 3.36Å; H335-L339 PolarHBondContact O-N 2.83Å; L336-L339 WeakPolarHBondContact O-CB 3.23Å; L336-L339 PolarHBondContact O-N 2.96Å; D337-L339 VanDerWaalsContact C-N 3.32Å; D337-L339 PolarHBondContact O-N 2.87Å; L339-Y342 WeakPolarHBondContact O-CB 3.23Å; L339-Y342 PolarHBondContact O-N 2.84Å; L339-C343 PolarHBondContact O-N 3.4Å; L339-C343 PolarHBondContact O-SG 3.21Å; L339-C343 VanDerWaalsContact O-SG 3.38Å; L339-M367 HydrophobicContact CB-CE 4Å; L339-M367 HydrophobicContact CB-SD 3.56Å; L339-M367 VanDerWaalsContact CB-SD 3.56Å; L339-M367 HydrophobicContact CD1-SD 3.75Å; L339-M367 HydrophobicContact CG-SD 4.15Å; L339-S386 WeakPolarHBondContact CD2-O 3.49Å
340L98.8Very high98.8Very high32 Ų3253.9 Ų53.917%0.16828%0.28CS..Hα-helixtrans-64.8-47.6174.4-60174.3000110.6L336 D337 Y342 C343 E344 Q359L336-L340 HydrophobicContact CD1-CG 4.38Å; L336-L340 HydrophobicContact CG-CD1 4.26Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 2.81Å; D337-L340 PolarHBondContact O-N 2.93Å; L340-Y342 VanDerWaalsContact C-N 3.28Å; L340-Y342 PolarHBondContact O-N 3.19Å; L340-C343 PolarHBondContact O-N 3.28Å; L340-E344 WeakPolarHBondContact O-CG 3.37Å; L340-E344 PolarHBondContact O-N 3.01Å; L340-Q359 HydrophobicContact CD1-CB 4.17Å; L340-Q359 HydrophobicContact CD2-CB 4.2Å; L340-Q359 VanDerWaalsContact CD2-N 3.31Å
341E98.8Very high98.8Very high119 Ų11954.2 Ų54.256%0.55628%0.282SS*.Hα-helixtrans-59.1-38.1174.5-70.2174.4-175.800112.4D337 K338 E344 T345D337-E341 WeakPolarHBondContact O-CG 3.37Å; D337-E341 PolarHBondContact O-N 2.7Å; K338-E341 PolarHBondContact O-N 3.3Å; E341-E344 PolarHBondContact O-N 2.82Å; E341-T345 WeakPolarHBondContact O-CB 3.19Å; E341-T345 PolarHBondContact O-N 3.19Å; E341-T345 PolarHBondContact O-OG1 3Å
342Y98.9Very high98.8Very high13 Ų1357 Ų575%0.05130%0.3CS..Hα-helixtrans-61.3-47175.8-173.5-81.4000111.5K258 K338 L339 L340 T345 G346 F380 I381 E384 V390K258-Y342 PolarHBondContact NZ-OH 2.84Å; K338-Y342 VanDerWaalsContact O-CB 3.28Å; K338-Y342 WeakPolarHBondContact O-CB 2.91Å; K338-Y342 PolarHBondContact O-N 3.21Å; L339-Y342 WeakPolarHBondContact O-CB 3.23Å; L339-Y342 PolarHBondContact O-N 2.84Å; L340-Y342 VanDerWaalsContact C-N 3.28Å; L340-Y342 PolarHBondContact O-N 3.19Å; Y342-T345 PolarHBondContact O-N 3.17Å; Y342-G346 PolarHBondContact O-N 3.01Å; Y342-F380 HydrophobicContact CD2-CD1 4.34Å; Y342-F380 AromaticContact CD2-CE1 3.61Å; Y342-F380 HydrophobicContact CD2-CE1 3.61Å; Y342-F380 HydrophobicContact CE2-CD1 4.29Å; Y342-F380 AromaticContact CE2-CE1 3.83Å; Y342-F380 HydrophobicContact CE2-CE1 3.83Å; Y342-F380 HydrophobicContact CG-CE1 4.41Å; Y342-I381 HydrophobicContact CD1-CG2 3.81Å; Y342-I381 HydrophobicContact CE1-CB 3.68Å; Y342-I381 HydrophobicContact CE1-CG2 3.38Å; Y342-I381 HydrophobicContact CE2-CG2 4.38Å; Y342-I381 HydrophobicContact CG-CG2 4.47Å; Y342-I381 VanDerWaalsContact OH-CA 3.29Å; Y342-I381 WeakPolarHBondContact OH-CA 3.26Å; Y342-I381 PolarHBondContact OH-O 3.26Å; Y342-E384 HydrophobicContact CE2-CB 4.03Å; Y342-E384 WeakPolarHBondContact CE2-O 3.37Å; Y342-E384 PolarHBondContact OH-O 2.85Å; Y342-V390 HydrophobicContact CE1-CG1 4.32Å
343C98.9Very high98.8Very high3 Ų358.1 Ų58.12%0.0231%0.306CS..Hα-helixtrans-66.5-42.2177.5-68.90000112.1L339 L340 T345 G346 V347 M367 F372L339-C343 PolarHBondContact O-N 3.4Å; L339-C343 PolarHBondContact O-SG 3.21Å; L339-C343 VanDerWaalsContact O-SG 3.38Å; L340-C343 PolarHBondContact O-N 3.28Å; C343-T345 VanDerWaalsContact C-N 3.28Å; C343-T345 PolarHBondContact O-N 2.75Å; C343-G346 PolarHBondContact O-N 3.3Å; C343-V347 PolarHBondContact O-N 2.89Å; C343-M367 WeakPolarHBondContact SG-CE 3.2Å; C343-F372 HydrophobicContact CB-CE2 4.22Å; C343-F372 HydrophobicContact CB-CZ 4.27Å; C343-F372 WeakPolarHBondContact O-CZ 3.36Å
344E98.7Very high98.8Very high138 Ų13856.8 Ų56.865%0.64531%0.305SS*.Hα-helixtrans-58.1-42.4174.6-73.2178.7-175.500111.6L340 E341 V347 K348L340-E344 WeakPolarHBondContact O-CG 3.37Å; L340-E344 PolarHBondContact O-N 3.01Å; E341-E344 PolarHBondContact O-N 2.82Å; E344-V347 PolarHBondContact O-N 3.37Å; E344-K348 VanDerWaalsContact O-CB 3.31Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.22Å
345T98.8Very high98.8Very high42 Ų4257.5 Ų57.526%0.25830%0.296SS..Hα-helixtrans-63.8-43.6176.2-57.20000111.4E341 Y342 C343 V347 K348 E349 F380E341-T345 WeakPolarHBondContact O-CB 3.19Å; E341-T345 PolarHBondContact O-N 3.19Å; E341-T345 PolarHBondContact O-OG1 3Å; Y342-T345 PolarHBondContact O-N 3.17Å; C343-T345 VanDerWaalsContact C-N 3.28Å; C343-T345 PolarHBondContact O-N 2.75Å; T345-V347 PolarHBondContact O-N 3.16Å; T345-K348 PolarHBondContact O-N 2.76Å; T345-E349 HydrophobicContact CG2-CG 4.41Å; T345-E349 WeakPolarHBondContact O-CG 3.13Å; T345-E349 PolarHBondContact O-N 3.12Å; T345-F380 HydrophobicContact CG2-CB 3.98Å; T345-F380 HydrophobicContact CG2-CD1 3.8Å; T345-F380 HydrophobicContact CG2-CE1 4.44Å; T345-F380 HydrophobicContact CG2-CG 3.9Å
346G98.8Very high98.7Very high0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-56.8-46.4176.100000113.3Y342 C343 E349 G350 A351Y342-G346 PolarHBondContact O-N 3.01Å; C343-G346 PolarHBondContact O-N 3.3Å; G346-E349 PolarHBondContact O-N 2.72Å; G346-G350 PolarHBondContact O-N 3.17Å; G346-A351 WeakPolarHBondContact O-CB 3.35Å; G346-A351 PolarHBondContact O-N 2.96Å; G346-A351 VanDerWaalsContact O-N 3.1Å
347V98.7Very high98.7Very high73 Ų7358 Ų5844%0.44231%0.305SS..Hα-helixtrans-64.2-44.1175.5175.20000111.1C343 E344 T345 E349 G350 L353 F372C343-V347 PolarHBondContact O-N 2.89Å; E344-V347 PolarHBondContact O-N 3.37Å; T345-V347 PolarHBondContact O-N 3.16Å; V347-E349 VanDerWaalsContact C-N 3.27Å; V347-E349 PolarHBondContact O-N 2.88Å; V347-G350 PolarHBondContact O-N 2.76Å; V347-G350 VanDerWaalsContact O-N 3.11Å; V347-L353 HydrophobicContact CG2-CB 3.93Å; V347-L353 HydrophobicContact CG2-CD2 4.01Å; V347-F372 HydrophobicContact CG2-CE1 3.78Å; V347-F372 HydrophobicContact CG2-CZ 3.98Å
348K98.7Very high98.7Very high184 Ų18461.8 Ų61.880%0.832%0.319SS*.Hα-helixtrans-62.3-33.5-178.7-177.2-178.6175.8-174.50112.8E344 T345 G350E344-K348 VanDerWaalsContact O-CB 3.31Å; E344-K348 WeakPolarHBondContact O-CB 3.49Å; E344-K348 PolarHBondContact O-N 3.22Å; T345-K348 PolarHBondContact O-N 2.76Å; K348-G350 VanDerWaalsContact C-N 3.3Å
349E98.4Very high98.7Very high81 Ų8158.6 Ų58.638%0.37931%0.306SS..THydrogen-bonded Turntrans-85.5-0.8178.5-68.9-173.9179.500113.9T345 G346 V347 M379 F380T345-E349 HydrophobicContact CG2-CG 4.41Å; T345-E349 WeakPolarHBondContact O-CG 3.13Å; T345-E349 PolarHBondContact O-N 3.12Å; G346-E349 PolarHBondContact O-N 2.72Å; V347-E349 VanDerWaalsContact C-N 3.27Å; V347-E349 PolarHBondContact O-N 2.88Å; E349-M379 HydrophobicContact CB-CG 4.46Å; E349-M379 WeakPolarHBondContact OE2-CA 3.39Å; E349-F380 WeakPolarHBondContact OE1-CB 3.46Å; E349-F380 VanDerWaalsContact OE2-CB 3.26Å; E349-F380 WeakPolarHBondContact OE2-CB 3.22Å; E349-F380 PolarHBondContact OE2-N 3.47Å
350G98.4Very high98.7Very high52 Ų5259.9 Ų59.954%0.53631%0.314SS..THydrogen-bonded Turntrans101.97.5169.300000115.5G346 V347 K348G346-G350 PolarHBondContact O-N 3.17Å; V347-G350 PolarHBondContact O-N 2.76Å; V347-G350 VanDerWaalsContact O-N 3.11Å; K348-G350 VanDerWaalsContact C-N 3.3Å
351A98.8Very high98.6Very high6 Ų666.5 Ų66.55%0.0535%0.35CS..  trans-69.4145.8170.700000111.1G346 L353 F372 V375 M379 I381G346-A351 WeakPolarHBondContact O-CB 3.35Å; G346-A351 PolarHBondContact O-N 2.96Å; G346-A351 VanDerWaalsContact O-N 3.1Å; A351-L353 PolarHBondContact O-N 2.94Å; A351-F372 HydrophobicContact CB-CD1 3.63Å; A351-F372 HydrophobicContact CB-CE1 4.18Å; A351-F372 HydrophobicContact CB-CG 4.44Å; A351-V375 HydrophobicContact CB-CG2 4.15Å; A351-M379 HydrophobicContact CB-CE 4.4Å; A351-M379 HydrophobicContact CB-SD 3.88Å; A351-I381 HydrophobicContact CB-CD1 3.7Å
352T98.9Very high98.6Very high63 Ų6365.1 Ų65.139%0.38734%0.339SS..EExtended strand (participates in β ladder)trans-83.6114.8178.7-61.70000110V354 F372 T373 D374T352-V354 HydrophobicContact CG2-CG2 4.25Å; T352-V354 PolarHBondContact O-N 2.88Å; T352-F372 CarbonylContact O-C 3.56Å; T352-F372 VanDerWaalsContact O-CA 3.29Å; T352-F372 WeakPolarHBondContact O-CA 3.35Å; T352-T373 WeakPolarHBondContact CB-OG1 3.24Å; T352-T373 PolarHBondContact N-O 2.91Å; T352-T373 PolarHBondContact O-N 3.21Å; T352-D374 WeakPolarHBondContact CB-OD2 3.31Å; T352-D374 PolarHBondContact OG1-OD2 3.26Å
353L98.8Very high98.6Very high64 Ų6468.9 Ų68.934%0.33537%0.365SS..EExtended strand (participates in β ladder)trans-80.3103.9172179.460.3000110.2V347 A351 Y355 T370 F372V347-L353 HydrophobicContact CG2-CB 3.93Å; V347-L353 HydrophobicContact CG2-CD2 4.01Å; A351-L353 PolarHBondContact O-N 2.94Å; L353-Y355 WeakPolarHBondContact CD1-O 3.45Å; L353-T370 HydrophobicContact CD1-CG2 3.74Å; L353-F372 HydrophobicContact CB-CD1 4.21Å; L353-F372 HydrophobicContact CB-CE1 3.74Å; L353-F372 HydrophobicContact CB-CZ 4.25Å; L353-F372 HydrophobicContact CD1-CD1 4.43Å; L353-F372 HydrophobicContact CD1-CD2 4.41Å; L353-F372 HydrophobicContact CD1-CE1 4.03Å; L353-F372 HydrophobicContact CD1-CE2 3.99Å; L353-F372 HydrophobicContact CD1-CZ 3.79Å; L353-F372 HydrophobicContact CG-CE1 4.42Å; L353-F372 HydrophobicContact CG-CZ 4.46Å
354V98.8Very high98.6Very high56 Ų5669.1 Ų69.134%0.33937%0.368SS..EExtended strand (participates in β ladder)trans-81.5-39.1-177.4178.30000111.6I305 V309 T352 V371 T373I305-V354 HydrophobicContact CG2-CG1 4.17Å; I305-V354 HydrophobicContact CG2-CG2 4.5Å; V309-V354 HydrophobicContact CG2-CG1 3.72Å; T352-V354 HydrophobicContact CG2-CG2 4.25Å; T352-V354 PolarHBondContact O-N 2.88Å; V354-V371 HydrophobicContact CB-CB 4.3Å; V354-V371 HydrophobicContact CB-CG1 4.27Å; V354-V371 PolarHBondContact N-O 3.03Å; V354-T373 HydrophobicContact CG2-CG2 3.72Å; V354-T373 WeakPolarHBondContact CG2-OG1 3.12Å
355Y98.7Very high98.6Very high71 Ų7163.9 Ų63.928%0.27834%0.343SS..EExtended strand (participates in β ladder)trans-155.4147.6-177.6-173.5-87.9000110.7V309 I312 K313 L353 P369 T370 V371V309-Y355 HydrophobicContact CG1-CD2 4.46Å; I312-Y355 HydrophobicContact CG2-CD1 3.69Å; I312-Y355 HydrophobicContact CG2-CE1 3.33Å; K313-Y355 HydrophobicContact CG-CE2 4.2Å; L353-Y355 WeakPolarHBondContact CD1-O 3.45Å; Y355-P369 WeakPolarHBondContact CD1-O 3.46Å; Y355-P369 WeakPolarHBondContact CE1-O 3.2Å; Y355-T370 VanDerWaalsContact O-CA 3.31Å; Y355-T370 WeakPolarHBondContact O-CA 3.28Å; Y355-V371 PolarHBondContact N-O 2.94Å; Y355-V371 PolarHBondContact O-N 3.13Å
356G98.5Very high98.6Very high13 Ų1361.9 Ų61.913%0.13433%0.331CS..  trans78.4-136.9172.300000114.3E368G356-E368 VanDerWaalsContact CA-OE2 3.28Å; G356-E368 WeakPolarHBondContact CA-OE2 3.41Å
357G98.1Very high98.6Very high12 Ų1261.9 Ų61.912%0.12433%0.331CS..  trans84.810.6177.100000114.4T370G357-T370 WeakPolarHBondContact CA-OG1 3.42Å; G357-T370 PolarHBondContact N-OG1 3.38Å
358K98.5Very high98.6Very high136 Ų13661 Ų6159%0.59132%0.322SS*.SBendtrans-133.4163.8-173.9-57.6178.9-175.4174.30112.7E368K358-E368 PolarHBondContact O-N 3.07Å
359Q98.6Very high98.6Very high73 Ų7352.3 Ų52.334%0.34129%0.285SS..BIsolated β-bridgetrans-70.8137165.4179.4172.8-6.400108.8L336 L340 G364 F366L336-Q359 HydrophobicContact CD2-CG 4.01Å; L340-Q359 HydrophobicContact CD1-CB 4.17Å; L340-Q359 HydrophobicContact CD2-CB 4.2Å; L340-Q359 VanDerWaalsContact CD2-N 3.31Å; Q359-G364 PolarHBondContact NE2-O 3.32Å; Q359-F366 WeakPolarHBondContact CA-O 3.23Å; Q359-F366 WeakPolarHBondContact CG-O 3.37Å
360V98.6Very high98.6Very high26 Ų2648.5 Ų48.516%0.15827%0.267CS..  trans-70.9133.5174.1-174.90000108.7I317 R362 F366 E368I317-V360 HydrophobicContact CD1-CG2 4.06Å; I317-V360 HydrophobicContact CG2-CG2 4.35Å; V360-R362 VanDerWaalsContact C-N 3.26Å; V360-R362 HydrophobicContact CB-CG 4.1Å; V360-R362 HydrophobicContact CG1-CG 3.83Å; V360-R362 PolarHBondContact O-N 3.36Å; V360-F366 HydrophobicContact CB-CB 3.77Å; V360-F366 HydrophobicContact CG2-CB 3.86Å; V360-F366 PolarHBondContact N-O 2.86Å; V360-E368 HydrophobicContact CG2-CG 3.77Å
361D97.9Very high98.6Very high172 Ų17246 Ų4692%0.9224%0.241SC*.SBendtrans-72.577.6179.8-172.122.2000111.8
362R98.2Very high98.6Very high90 Ų9045.7 Ų45.734%0.3424%0.239SC..SBendtrans-160165.1178.763-178.7-67.1153.81.8110.5I317 V360 F366I317-R362 PolarHBondContact O-NH1 2.89Å; V360-R362 VanDerWaalsContact C-N 3.26Å; V360-R362 HydrophobicContact CB-CG 4.1Å; V360-R362 HydrophobicContact CG1-CG 3.83Å; V360-R362 PolarHBondContact O-N 3.36Å; R362-F366 HydrophobicContact CG-CB 4.24Å; R362-F366 HydrophobicContact CG-CD2 3.79Å; R362-F366 HydrophobicContact CG-CE2 4.46Å; R362-F366 HydrophobicContact CG-CG 4.17Å
363P98.4Very high98.6Very high92 Ų9243.1 Ų43.160%0.59722%0.223SC*.SBendtrans-57.4155.7170.6-24.235000112.7T26 F366T26-P363 CarbonylContact O-C 3.55Å; P363-F366 VanDerWaalsContact O-CD2 3.29Å; P363-F366 WeakPolarHBondContact O-CD2 3.15Å; P363-F366 WeakPolarHBondContact O-CE2 3.33Å
364G98.6Very high98.6Very high8 Ų843.9 Ų43.98%0.08223%0.227CC..SBendtrans82.5-166.2-179.200000114P25 T26 Q359P25-G364 CarbonylContact O-C 3.54Å; P25-G364 WeakPolarHBondContact O-CA 3.41Å; T26-G364 WeakPolarHBondContact O-CA 3.28Å; Q359-G364 PolarHBondContact NE2-O 3.32Å
365F98.8Very high98.6Very high27 Ų2741.4 Ų41.412%0.11821%0.212CC..SBendtrans-11149.3-167.3-47.1-40.1000112.3I23 P25 Q330 K333 L336I23-F365 HydrophobicContact CG2-CE2 3.99Å; I23-F365 HydrophobicContact CG2-CZ 4.1Å; P25-F365 HydrophobicContact CB-CD2 3.71Å; P25-F365 HydrophobicContact CB-CE2 4.31Å; P25-F365 PolarHBondContact O-N 3.5Å; Q330-F365 WeakPolarHBondContact CB-O 3.41Å; Q330-F365 PolarHBondContact N-O 3.17Å; K333-F365 HydrophobicContact CB-CD1 4.08Å; K333-F365 HydrophobicContact CB-CD2 4.47Å; K333-F365 HydrophobicContact CB-CE1 3.8Å; K333-F365 HydrophobicContact CB-CE2 4.2Å; K333-F365 HydrophobicContact CB-CG 4.43Å; K333-F365 HydrophobicContact CB-CZ 3.87Å; K333-F365 HydrophobicContact CD-CD1 3.96Å; K333-F365 HydrophobicContact CD-CE1 4.06Å; K333-F365 HydrophobicContact CG-CE1 4.28Å; L336-F365 HydrophobicContact CB-CB 4.35Å; L336-F365 HydrophobicContact CD2-CB 3.96Å
366F98.9Very high98.6Very high0 Ų043.3 Ų43.30%022%0.224CC..  trans-83.4133.1-177.1-69.5-91.4000112.6T26 I317 G318 P329 Q359 V360 R362 P363T26-F366 HydrophobicContact CG2-CE2 4.39Å; T26-F366 HydrophobicContact CG2-CZ 4.19Å; I317-F366 HydrophobicContact CG2-CD1 3.6Å; I317-F366 HydrophobicContact CG2-CE1 4.19Å; I317-F366 HydrophobicContact CG2-CG 4.39Å; G318-F366 WeakPolarHBondContact O-CE1 3.35Å; G318-F366 WeakPolarHBondContact O-CZ 3.39Å; P329-F366 HydrophobicContact CB-CD1 3.86Å; P329-F366 HydrophobicContact CB-CD2 3.93Å; P329-F366 HydrophobicContact CB-CE1 3.75Å; P329-F366 HydrophobicContact CB-CE2 3.81Å; P329-F366 HydrophobicContact CB-CG 3.96Å; P329-F366 HydrophobicContact CB-CZ 3.72Å; P329-F366 VanDerWaalsContact CD-CE1 3.44Å; P329-F366 HydrophobicContact CG-CE1 4.07Å; P329-F366 HydrophobicContact CG-CE2 4.32Å; P329-F366 HydrophobicContact CG-CZ 3.89Å; Q359-F366 WeakPolarHBondContact CA-O 3.23Å; Q359-F366 WeakPolarHBondContact CG-O 3.37Å; V360-F366 HydrophobicContact CB-CB 3.77Å; V360-F366 HydrophobicContact CG2-CB 3.86Å; V360-F366 PolarHBondContact N-O 2.86Å; R362-F366 HydrophobicContact CG-CB 4.24Å; R362-F366 HydrophobicContact CG-CD2 3.79Å; R362-F366 HydrophobicContact CG-CE2 4.46Å; R362-F366 HydrophobicContact CG-CG 4.17Å; P363-F366 VanDerWaalsContact O-CD2 3.29Å; P363-F366 WeakPolarHBondContact O-CD2 3.15Å; P363-F366 WeakPolarHBondContact O-CE2 3.33Å
367M98.6Very high98.6Very high0 Ų045 Ų450%023%0.229CC..BIsolated β-bridgetrans-112.5142169.9-168.8-173.8-177.300110.3H327 Q330 L336 L339 C343 P389 V390H327-M367 PolarHBondContact NE2-O 2.9Å; Q330-M367 HydrophobicContact CG-CB 3.95Å; L336-M367 HydrophobicContact CD1-CB 3.84Å; L336-M367 HydrophobicContact CD1-CG 4.39Å; L339-M367 HydrophobicContact CB-CE 4Å; L339-M367 HydrophobicContact CB-SD 3.56Å; L339-M367 VanDerWaalsContact CB-SD 3.56Å; L339-M367 HydrophobicContact CD1-SD 3.75Å; L339-M367 HydrophobicContact CG-SD 4.15Å; C343-M367 WeakPolarHBondContact SG-CE 3.2Å; M367-P389 HydrophobicContact CB-CG 4.32Å; M367-P389 HydrophobicContact CG-CG 4.43Å; M367-P389 HydrophobicContact SD-CG 4.05Å; M367-V390 HydrophobicContact CE-CG2 3.92Å
368E98.8Very high98.7Very high56 Ų5649.8 Ų49.826%0.26225%0.249SC..  trans-63.9136170.1-64.7177.5150.800110.3G356 K358 V360 T370G356-E368 VanDerWaalsContact CA-OE2 3.28Å; G356-E368 WeakPolarHBondContact CA-OE2 3.41Å; K358-E368 PolarHBondContact O-N 3.07Å; V360-E368 HydrophobicContact CG2-CG 3.77Å; E368-T370 PolarHBondContact O-N 2.94Å; E368-T370 PolarHBondContact O-OG1 2.9Å
369P98.8Very high98.7Very high1 Ų143.6 Ų43.61%0.00622%0.222CC..  trans-51.8133.6162.8-22.632.7000109.1F281 I312 M315 Y355F281-P369 HydrophobicContact CD1-CB 4.1Å; F281-P369 HydrophobicContact CE1-CB 3.92Å; F281-P369 HydrophobicContact CZ-CB 4.33Å; I312-P369 HydrophobicContact CG2-CB 3.88Å; I312-P369 HydrophobicContact CG2-CG 4.34Å; M315-P369 HydrophobicContact CE-CG 4.03Å; M315-P369 HydrophobicContact SD-CG 4.24Å; Y355-P369 WeakPolarHBondContact CD1-O 3.46Å; Y355-P369 WeakPolarHBondContact CE1-O 3.2Å
370T98.9Very high98.7Very high0 Ų043.9 Ų43.90%022%0.222CC..EExtended strand (participates in β ladder)trans-125.5141.9-166.8-60.30000111L353 Y355 G357 E368 F372 P389 V390 M391L353-T370 HydrophobicContact CD1-CG2 3.74Å; Y355-T370 VanDerWaalsContact O-CA 3.31Å; Y355-T370 WeakPolarHBondContact O-CA 3.28Å; G357-T370 WeakPolarHBondContact CA-OG1 3.42Å; G357-T370 PolarHBondContact N-OG1 3.38Å; E368-T370 PolarHBondContact O-N 2.94Å; E368-T370 PolarHBondContact O-OG1 2.9Å; T370-F372 HydrophobicContact CG2-CD2 4.04Å; T370-F372 HydrophobicContact CG2-CE2 3.86Å; T370-P389 PolarHBondContact N-O 2.9Å; T370-V390 HydrophobicContact CG2-CG1 4.03Å; T370-V390 HydrophobicContact CG2-CG2 4.5Å; T370-M391 PolarHBondContact O-N 2.9Å
371V98.9Very high98.7Very high0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-131.4122.7177.1-176.40000110F281 I305 V308 I312 V354 Y355 M391F281-V371 HydrophobicContact CZ-CG2 4.41Å; I305-V371 HydrophobicContact CD1-CG1 4.37Å; V308-V371 HydrophobicContact CG1-CG2 4.14Å; I312-V371 HydrophobicContact CD1-CG2 3.34Å; V354-V371 HydrophobicContact CB-CB 4.3Å; V354-V371 HydrophobicContact CB-CG1 4.27Å; V354-V371 PolarHBondContact N-O 3.03Å; Y355-V371 PolarHBondContact N-O 2.94Å; Y355-V371 PolarHBondContact O-N 3.13Å; V371-M391 WeakPolarHBondContact CA-O 3.31Å; V371-M391 HydrophobicContact CG2-CB 4.28Å
372F98.9Very high98.7Very high0 Ų034.4 Ų34.40%017%0.171CC..EExtended strand (participates in β ladder)trans-108.6135.6168.2-80.6-81.2000110.6C343 V347 A351 T352 L353 T370 V375 I381 V390 M391 V393C343-F372 HydrophobicContact CB-CE2 4.22Å; C343-F372 HydrophobicContact CB-CZ 4.27Å; C343-F372 WeakPolarHBondContact O-CZ 3.36Å; V347-F372 HydrophobicContact CG2-CE1 3.78Å; V347-F372 HydrophobicContact CG2-CZ 3.98Å; A351-F372 HydrophobicContact CB-CD1 3.63Å; A351-F372 HydrophobicContact CB-CE1 4.18Å; A351-F372 HydrophobicContact CB-CG 4.44Å; T352-F372 CarbonylContact O-C 3.56Å; T352-F372 VanDerWaalsContact O-CA 3.29Å; T352-F372 WeakPolarHBondContact O-CA 3.35Å; L353-F372 HydrophobicContact CB-CD1 4.21Å; L353-F372 HydrophobicContact CB-CE1 3.74Å; L353-F372 HydrophobicContact CB-CZ 4.25Å; L353-F372 HydrophobicContact CD1-CD1 4.43Å; L353-F372 HydrophobicContact CD1-CD2 4.41Å; L353-F372 HydrophobicContact CD1-CE1 4.03Å; L353-F372 HydrophobicContact CD1-CE2 3.99Å; L353-F372 HydrophobicContact CD1-CZ 3.79Å; L353-F372 HydrophobicContact CG-CE1 4.42Å; L353-F372 HydrophobicContact CG-CZ 4.46Å; T370-F372 HydrophobicContact CG2-CD2 4.04Å; T370-F372 HydrophobicContact CG2-CE2 3.86Å; F372-V375 HydrophobicContact CB-CG2 3.93Å; F372-I381 HydrophobicContact CB-CD1 4.11Å; F372-I381 HydrophobicContact CD1-CD1 4.14Å; F372-I381 HydrophobicContact CD2-CD1 4.21Å; F372-I381 HydrophobicContact CG-CD1 3.9Å; F372-V390 HydrophobicContact CD2-CG1 3.88Å; F372-V390 HydrophobicContact CE2-CG1 4.2Å; F372-M391 PolarHBondContact N-O 2.79Å; F372-V393 WeakPolarHBondContact O-CB 3.48Å; F372-V393 PolarHBondContact O-N 3.18Å
373T98.9Very high98.7Very high8 Ų835 Ų355%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-117.7178.7167.457.20000110.4I305 T352 V354 V375 V393I305-T373 HydrophobicContact CD1-CG2 3.75Å; I305-T373 HydrophobicContact CG1-CG2 3.82Å; I305-T373 HydrophobicContact CG2-CG2 4.07Å; T352-T373 WeakPolarHBondContact CB-OG1 3.24Å; T352-T373 PolarHBondContact N-O 2.91Å; T352-T373 PolarHBondContact O-N 3.21Å; V354-T373 HydrophobicContact CG2-CG2 3.72Å; V354-T373 WeakPolarHBondContact CG2-OG1 3.12Å; T373-V375 PolarHBondContact O-N 2.9Å; T373-V375 VanDerWaalsContact O-N 3.15Å; T373-V393 HydrophobicContact CG2-CB 4.4Å
374D98.5Very high98.8Very high80 Ų8034.6 Ų34.643%0.42817%0.166SC..SBendtrans56.332.4179.7-48.8-54.9000111.9T352 E376T352-D374 WeakPolarHBondContact CB-OD2 3.31Å; T352-D374 PolarHBondContact OG1-OD2 3.26Å; D374-E376 PolarHBondContact O-N 3.31Å
375V98.9Very high98.7Very high5 Ų537 Ų373%0.0318%0.175CC..  trans-80.6120.5179.5-176.10000108.8A351 F372 T373 M379 I381 A382 V392 V393 S394A351-V375 HydrophobicContact CB-CG2 4.15Å; F372-V375 HydrophobicContact CB-CG2 3.93Å; T373-V375 PolarHBondContact O-N 2.9Å; T373-V375 VanDerWaalsContact O-N 3.15Å; V375-M379 HydrophobicContact CB-SD 4.5Å; V375-M379 HydrophobicContact CG1-SD 4.06Å; V375-I381 HydrophobicContact CG1-CD1 4.24Å; V375-I381 HydrophobicContact CG1-CG1 4Å; V375-I381 HydrophobicContact CG2-CD1 3.93Å; V375-A382 HydrophobicContact CG1-CB 3.95Å; V375-V392 HydrophobicContact CB-CG1 4.05Å; V375-V392 HydrophobicContact CG1-CG1 3.66Å; V375-V392 HydrophobicContact CG2-CG1 3.76Å; V375-V393 WeakPolarHBondContact CG2-O 3.48Å; V375-V393 PolarHBondContact N-O 2.74Å; V375-S394 WeakPolarHBondContact O-CB 3.45Å; V375-S394 PolarHBondContact O-OG 2.84Å
376E98.8Very high98.7Very high110 Ų11036.5 Ų36.551%0.51418%0.175SC..  trans-94.8149.9175.1-62.7-177.9-174.800111.1D374 H378 M379 A382D374-E376 PolarHBondContact O-N 3.31Å; E376-H378 PolarHBondContact O-N 3.42Å; E376-H378 IonicContact OE2-CD2 2.85Å; E376-H378 PolarHBondContact OE2-CD2 3.3Å; E376-H378 VanDerWaalsContact OE2-CD2 3.32Å; E376-H378 IonicContact OE2-CE1 3.85Å; E376-H378 IonicContact OE2-NE2 2.62Å; E376-H378 PolarHBondContact OE2-NE2 3.07Å; E376-M379 HydrophobicContact CB-CE 4.12Å; E376-M379 HydrophobicContact CB-CG 4.36Å; E376-M379 HydrophobicContact CB-SD 4.42Å; E376-M379 HydrophobicContact CG-CE 4.17Å; E376-M379 PolarHBondContact N-SD 3.16Å; E376-M379 VanDerWaalsContact N-SD 3.42Å; E376-M379 WeakPolarHBondContact O-CB 3.29Å; E376-M379 WeakPolarHBondContact O-CG 3.36Å; E376-M379 PolarHBondContact O-N 2.85Å; E376-A382 WeakPolarHBondContact O-CB 3.45Å
377D98.7Very high98.7Very high48 Ų4838 Ų3826%0.25718%0.181SC..THydrogen-bonded Turntrans-62.6-22-170.5-56.6-22.2000113.6K383 R407D377-K383 VanDerWaalsContact O-CE 3.29Å; D377-K383 WeakPolarHBondContact O-CE 3.33Å; D377-R407 IonicContact OD1-CZ 2.87Å; D377-R407 IonicContact OD1-NE 3.69Å; D377-R407 PolarHBondContact OD1-NE 3.39Å; D377-R407 VanDerWaalsContact OD1-NE 3.14Å; D377-R407 IonicContact OD1-NH2 2.79Å; D377-R407 PolarHBondContact OD1-NH2 2.97Å; D377-R407 WeakPolarHBondContact OD2-CD 3.24Å; D377-R407 WeakPolarHBondContact OD2-CG 3.43Å; D377-R407 IonicContact OD2-CZ 3.86Å; D377-R407 IonicContact OD2-NE 2.7Å; D377-R407 PolarHBondContact OD2-NE 3.45Å; D377-R407 IonicContact OD2-NH2 3.42Å
378H98.5Very high98.7Very high114 Ų11438.1 Ų38.153%0.52818%0.183SC..THydrogen-bonded Turntrans-78.1-22.2179.369.385.1000113.7E376 K383E376-H378 PolarHBondContact O-N 3.42Å; E376-H378 IonicContact OE2-CD2 2.85Å; E376-H378 PolarHBondContact OE2-CD2 3.3Å; E376-H378 VanDerWaalsContact OE2-CD2 3.32Å; E376-H378 IonicContact OE2-CE1 3.85Å; E376-H378 IonicContact OE2-NE2 2.62Å; E376-H378 PolarHBondContact OE2-NE2 3.07Å; H378-K383 WeakPolarHBondContact O-CE 3.46Å; H378-K383 PolarHBondContact O-NZ 2.92Å
379M98.8Very high98.7Very high6 Ų635.5 Ų35.53%0.0317%0.17CC..SBendtrans-62.8148.5-175.2-66176.8177.200111.9E349 A351 V375 E376 I381 A382 K383E349-M379 HydrophobicContact CB-CG 4.46Å; E349-M379 WeakPolarHBondContact OE2-CA 3.39Å; A351-M379 HydrophobicContact CB-CE 4.4Å; A351-M379 HydrophobicContact CB-SD 3.88Å; V375-M379 HydrophobicContact CB-SD 4.5Å; V375-M379 HydrophobicContact CG1-SD 4.06Å; E376-M379 HydrophobicContact CB-CE 4.12Å; E376-M379 HydrophobicContact CB-CG 4.36Å; E376-M379 HydrophobicContact CB-SD 4.42Å; E376-M379 HydrophobicContact CG-CE 4.17Å; E376-M379 PolarHBondContact N-SD 3.16Å; E376-M379 VanDerWaalsContact N-SD 3.42Å; E376-M379 WeakPolarHBondContact O-CB 3.29Å; E376-M379 WeakPolarHBondContact O-CG 3.36Å; E376-M379 PolarHBondContact O-N 2.85Å; M379-I381 VanDerWaalsContact C-N 3.3Å; M379-I381 HydrophobicContact CB-CG1 4.36Å; M379-I381 PolarHBondContact O-N 2.89Å; M379-A382 HydrophobicContact CB-CB 4.5Å; M379-A382 WeakPolarHBondContact O-CB 3.42Å; M379-A382 PolarHBondContact O-N 3.17Å; M379-K383 PolarHBondContact O-N 3.35Å
380F98.8Very high98.7Very high78 Ų7835.5 Ų35.534%0.34217%0.171SC..Hα-helixtrans-52.9-47.4174.7176.5-92.2000111.6Y342 T345 E349 A382 K383 E384Y342-F380 HydrophobicContact CD2-CD1 4.34Å; Y342-F380 AromaticContact CD2-CE1 3.61Å; Y342-F380 HydrophobicContact CD2-CE1 3.61Å; Y342-F380 HydrophobicContact CE2-CD1 4.29Å; Y342-F380 AromaticContact CE2-CE1 3.83Å; Y342-F380 HydrophobicContact CE2-CE1 3.83Å; Y342-F380 HydrophobicContact CG-CE1 4.41Å; T345-F380 HydrophobicContact CG2-CB 3.98Å; T345-F380 HydrophobicContact CG2-CD1 3.8Å; T345-F380 HydrophobicContact CG2-CE1 4.44Å; T345-F380 HydrophobicContact CG2-CG 3.9Å; E349-F380 WeakPolarHBondContact OE1-CB 3.46Å; E349-F380 VanDerWaalsContact OE2-CB 3.26Å; E349-F380 WeakPolarHBondContact OE2-CB 3.22Å; E349-F380 PolarHBondContact OE2-N 3.47Å; F380-A382 PolarHBondContact O-N 3.47Å; F380-K383 PolarHBondContact O-N 3.41Å; F380-E384 HydrophobicContact CD1-CB 4.33Å; F380-E384 HydrophobicContact CD1-CG 4.35Å; F380-E384 HydrophobicContact CD2-CG 3.68Å; F380-E384 HydrophobicContact CE1-CB 3.95Å; F380-E384 HydrophobicContact CE1-CG 4.08Å; F380-E384 HydrophobicContact CE2-CB 4.17Å; F380-E384 HydrophobicContact CE2-CG 3.38Å; F380-E384 HydrophobicContact CG-CG 4.17Å; F380-E384 HydrophobicContact CZ-CB 3.86Å; F380-E384 HydrophobicContact CZ-CG 3.59Å; F380-E384 PolarHBondContact O-N 2.88Å
381I98.8Very high98.7Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-69.3-14.6-178.666.6168.5000113.4K258 Y342 A351 F372 V375 M379 V392K258-I381 WeakPolarHBondContact CE-O 3.26Å; K258-I381 PolarHBondContact NZ-O 2.86Å; Y342-I381 HydrophobicContact CD1-CG2 3.81Å; Y342-I381 HydrophobicContact CE1-CB 3.68Å; Y342-I381 HydrophobicContact CE1-CG2 3.38Å; Y342-I381 HydrophobicContact CE2-CG2 4.38Å; Y342-I381 HydrophobicContact CG-CG2 4.47Å; Y342-I381 VanDerWaalsContact OH-CA 3.29Å; Y342-I381 WeakPolarHBondContact OH-CA 3.26Å; Y342-I381 PolarHBondContact OH-O 3.26Å; A351-I381 HydrophobicContact CB-CD1 3.7Å; F372-I381 HydrophobicContact CB-CD1 4.11Å; F372-I381 HydrophobicContact CD1-CD1 4.14Å; F372-I381 HydrophobicContact CD2-CD1 4.21Å; F372-I381 HydrophobicContact CG-CD1 3.9Å; V375-I381 HydrophobicContact CG1-CD1 4.24Å; V375-I381 HydrophobicContact CG1-CG1 4Å; V375-I381 HydrophobicContact CG2-CD1 3.93Å; M379-I381 VanDerWaalsContact C-N 3.3Å; M379-I381 HydrophobicContact CB-CG1 4.36Å; M379-I381 PolarHBondContact O-N 2.89Å; I381-V392 HydrophobicContact CD1-CG1 4.36Å; I381-V392 HydrophobicContact CG1-CG1 4.35Å
382A98.8Very high98.7Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-80-22.5171.100000112.2K258 R293 V375 E376 M379 F380K258-A382 VanDerWaalsContact CE-C 3.42Å; K258-A382 WeakPolarHBondContact CE-O 3.25Å; K258-A382 WeakPolarHBondContact CG-O 3.32Å; R293-A382 VanDerWaalsContact CD-O 3.23Å; R293-A382 WeakPolarHBondContact CD-O 3.5Å; V375-A382 HydrophobicContact CG1-CB 3.95Å; E376-A382 WeakPolarHBondContact O-CB 3.45Å; M379-A382 HydrophobicContact CB-CB 4.5Å; M379-A382 WeakPolarHBondContact O-CB 3.42Å; M379-A382 PolarHBondContact O-N 3.17Å; F380-A382 PolarHBondContact O-N 3.47Å
383K98.7Very high98.7Very high103 Ų10335.5 Ų35.545%0.44817%0.171SC..Hα-helixtrans-106.8-41.9-172.9-65.7170.2-179.4162.70113.2D377 H378 M379 F380D377-K383 VanDerWaalsContact O-CE 3.29Å; D377-K383 WeakPolarHBondContact O-CE 3.33Å; H378-K383 WeakPolarHBondContact O-CE 3.46Å; H378-K383 PolarHBondContact O-NZ 2.92Å; M379-K383 PolarHBondContact O-N 3.35Å; F380-K383 PolarHBondContact O-N 3.41Å
384E98.6Very high98.7Very high83 Ų8335.2 Ų35.239%0.38817%0.169SC..SBendtrans-87.3140.8-173.9-63.5-56.4144.800112.2K258 Y342 F380K258-E384 WeakPolarHBondContact CD-O 3.47Å; K258-E384 VanDerWaalsContact CE-O 3.22Å; K258-E384 WeakPolarHBondContact CE-O 3.14Å; K258-E384 PolarHBondContact NZ-O 3Å; Y342-E384 HydrophobicContact CE2-CB 4.03Å; Y342-E384 WeakPolarHBondContact CE2-O 3.37Å; Y342-E384 PolarHBondContact OH-O 2.85Å; F380-E384 HydrophobicContact CD1-CB 4.33Å; F380-E384 HydrophobicContact CD1-CG 4.35Å; F380-E384 HydrophobicContact CD2-CG 3.68Å; F380-E384 HydrophobicContact CE1-CB 3.95Å; F380-E384 HydrophobicContact CE1-CG 4.08Å; F380-E384 HydrophobicContact CE2-CB 4.17Å; F380-E384 HydrophobicContact CE2-CG 3.38Å; F380-E384 HydrophobicContact CG-CG 4.17Å; F380-E384 HydrophobicContact CZ-CB 3.86Å; F380-E384 HydrophobicContact CZ-CG 3.59Å; F380-E384 PolarHBondContact O-N 2.88Å
385E98.4Very high98.7Very high57 Ų5734.8 Ų34.827%0.26616%0.163SC..  trans-72.2123.2173.8-176.6177.6-138.300109.7G256 G257 F387G256-E385 VanDerWaalsContact CA-OE2 3.27Å; G256-E385 WeakPolarHBondContact CA-OE2 3.49Å; G257-E385 PolarHBondContact N-OE1 3.48Å; G257-E385 WeakPolarHBondContact O-CB 3.33Å; G257-E385 VanDerWaalsContact O-CG 3.28Å; G257-E385 WeakPolarHBondContact O-CG 3.36Å; E385-F387 HydrophobicContact CG-CB 4.23Å; E385-F387 HydrophobicContact CG-CD2 4.38Å
386S98.4Very high98.7Very high18 Ų1834.9 Ų34.913%0.12616%0.163CC..  trans-78.2-41.6174.261.50000111.4L339 G388L339-S386 WeakPolarHBondContact CD2-O 3.49Å; S386-G388 PolarHBondContact O-N 3.43Å; S386-G388 PolarHBondContact OG-N 2.93Å
387F98.7Very high98.7Very high31 Ų3136.4 Ų36.414%0.13617%0.168CC..  trans58.132.4-171.7-150.8-107.4000113.1W154 N155 G285 E286 C288 H335 E385W154-F387 HydrophobicContact CE3-CE1 4.43Å; W154-F387 AromaticContact CH2-CD1 3.36Å; W154-F387 HydrophobicContact CH2-CD1 3.36Å; W154-F387 AromaticContact CH2-CE1 3.39Å; W154-F387 HydrophobicContact CH2-CE1 3.39Å; W154-F387 AromaticContact CZ2-CD1 3.7Å; W154-F387 HydrophobicContact CZ2-CD1 3.7Å; W154-F387 AromaticContact CZ2-CE1 3.61Å; W154-F387 HydrophobicContact CZ2-CE1 3.61Å; W154-F387 HydrophobicContact CZ3-CD1 4.12Å; W154-F387 AromaticContact CZ3-CE1 3.82Å; W154-F387 HydrophobicContact CZ3-CE1 3.82Å; N155-F387 HydrophobicContact CB-CE1 3.71Å; N155-F387 HydrophobicContact CB-CZ 3.69Å; N155-F387 WeakPolarHBondContact ND2-CZ 3.12Å; G285-F387 CarbonylContact O-C 3.54Å; E286-F387 HydrophobicContact CB-CD1 4.08Å; E286-F387 HydrophobicContact CB-CE1 3.93Å; E286-F387 HydrophobicContact CG-CD1 4.18Å; E286-F387 HydrophobicContact CG-CE1 4.43Å; E286-F387 VanDerWaalsContact CG-O 3.28Å; E286-F387 WeakPolarHBondContact CG-O 3.38Å; C288-F387 HydrophobicContact CB-CE2 4.35Å; H335-F387 PolarHBondContact CE1-O 3.22Å; H335-F387 VanDerWaalsContact CE1-O 3.29Å; H335-F387 PolarHBondContact NE2-O 2.72Å; E385-F387 HydrophobicContact CG-CB 4.23Å; E385-F387 HydrophobicContact CG-CD2 4.38Å
388G98.8Very high98.7Very high3 Ų338.3 Ų38.33%0.03118%0.178CC..SBendtrans-146-176.5176.600000111.5G285 S386 V390G285-G388 PolarHBondContact O-N 3.44Å; S386-G388 PolarHBondContact O-N 3.43Å; S386-G388 PolarHBondContact OG-N 2.93Å; G388-V390 PolarHBondContact O-N 3.2Å
389P98.8Very high98.6Very high0 Ų035.8 Ų35.80%018%0.183CC..SBendtrans-8160.9-168.136.2-37.4000111.3F281 K284 M367 T370F281-P389 HydrophobicContact CD1-CB 3.77Å; F281-P389 HydrophobicContact CE1-CB 4.36Å; F281-P389 WeakPolarHBondContact CE1-O 3.45Å; K284-P389 VanDerWaalsContact O-CD 3.31Å; K284-P389 WeakPolarHBondContact O-CD 3.32Å; M367-P389 HydrophobicContact CB-CG 4.32Å; M367-P389 HydrophobicContact CG-CG 4.43Å; M367-P389 HydrophobicContact SD-CG 4.05Å; T370-P389 PolarHBondContact N-O 2.9Å
390V98.9Very high98.6Very high2 Ų238.6 Ų38.61%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-121.8107.9-175-173.50000110V280 Y342 M367 T370 F372 G388 V392V280-V390 VanDerWaalsContact CG1-C 3.47Å; V280-V390 WeakPolarHBondContact CG1-O 3.44Å; Y342-V390 HydrophobicContact CE1-CG1 4.32Å; M367-V390 HydrophobicContact CE-CG2 3.92Å; T370-V390 HydrophobicContact CG2-CG1 4.03Å; T370-V390 HydrophobicContact CG2-CG2 4.5Å; F372-V390 HydrophobicContact CD2-CG1 3.88Å; F372-V390 HydrophobicContact CE2-CG1 4.2Å; G388-V390 PolarHBondContact O-N 3.2Å; V390-V392 HydrophobicContact CG1-CG2 4.09Å
391M98.9Very high98.6Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-84.9118.1175.6-175.5175.2-72.700109.2M277 V280 F281 L294 Y304 V308 T370 V371 F372 V393M277-M391 HydrophobicContact CG-CE 4.47Å; V280-M391 HydrophobicContact CB-CB 4.45Å; V280-M391 HydrophobicContact CB-CE 4.23Å; V280-M391 HydrophobicContact CG1-CB 4Å; V280-M391 HydrophobicContact CG2-CB 4.13Å; V280-M391 HydrophobicContact CG2-CE 3.87Å; V280-M391 HydrophobicContact CG2-CG 4.1Å; F281-M391 HydrophobicContact CE1-CB 4.44Å; F281-M391 HydrophobicContact CE2-CE 3.8Å; F281-M391 HydrophobicContact CZ-CB 3.97Å; F281-M391 HydrophobicContact CZ-CE 4.11Å; L294-M391 HydrophobicContact CD1-CG 4.19Å; L294-M391 HydrophobicContact CD2-CE 4.03Å; L294-M391 HydrophobicContact CD2-CG 4.04Å; L294-M391 HydrophobicContact CD2-SD 3.88Å; Y304-M391 HydrophobicContact CE1-SD 4.46Å; V308-M391 HydrophobicContact CG1-CE 4.19Å; V308-M391 HydrophobicContact CG1-SD 3.87Å; V308-M391 HydrophobicContact CG2-SD 4.37Å; T370-M391 PolarHBondContact O-N 2.9Å; V371-M391 WeakPolarHBondContact CA-O 3.31Å; V371-M391 HydrophobicContact CG2-CB 4.28Å; F372-M391 PolarHBondContact N-O 2.79Å; M391-V393 HydrophobicContact CG-CG2 3.65Å; M391-V393 HydrophobicContact SD-CG2 4.1Å
392V98.9Very high98.6Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-110.8109.2-176.5178.60000108.1R293 L294 V375 I381 V390R293-V392 WeakPolarHBondContact CA-O 3.29Å; L294-V392 PolarHBondContact N-O 2.87Å; V375-V392 HydrophobicContact CB-CG1 4.05Å; V375-V392 HydrophobicContact CG1-CG1 3.66Å; V375-V392 HydrophobicContact CG2-CG1 3.76Å; I381-V392 HydrophobicContact CD1-CG1 4.36Å; I381-V392 HydrophobicContact CG1-CG1 4.35Å; V390-V392 HydrophobicContact CG1-CG2 4.09Å
393V98.9Very high98.6Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-114.9131-169.4-168.50000112.1L294 V296 I305 F372 T373 V375 M391L294-V393 HydrophobicContact CB-CG1 4.46Å; L294-V393 HydrophobicContact CB-CG2 4.25Å; L294-V393 WeakPolarHBondContact O-CA 3.44Å; V296-V393 HydrophobicContact CB-CG1 4.4Å; V296-V393 HydrophobicContact CG2-CG1 3.79Å; I305-V393 HydrophobicContact CD1-CB 4.1Å; I305-V393 HydrophobicContact CD1-CG1 3.95Å; I305-V393 HydrophobicContact CD1-CG2 3.77Å; F372-V393 WeakPolarHBondContact O-CB 3.48Å; F372-V393 PolarHBondContact O-N 3.18Å; T373-V393 HydrophobicContact CG2-CB 4.4Å; V375-V393 WeakPolarHBondContact CG2-O 3.48Å; V375-V393 PolarHBondContact N-O 2.74Å; M391-V393 HydrophobicContact CG-CG2 3.65Å; M391-V393 HydrophobicContact SD-CG2 4.1Å
394S98.9Very high98.6Very high1 Ų136.5 Ų36.51%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-121.5143.5172.3-58.10000110.4L294 F295 V296 V375L294-S394 PolarHBondContact O-N 2.9Å; F295-S394 WeakPolarHBondContact CA-O 3.43Å; V296-S394 PolarHBondContact N-O 2.84Å; V375-S394 WeakPolarHBondContact O-CB 3.45Å; V375-S394 PolarHBondContact O-OG 2.84Å
395K98.6Very high98.6Very high72 Ų7232.8 Ų32.831%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-75.7151.6169.3-65.1-174.9-171.4-1530110.8V296 H301 D302 R407V296-K395 WeakPolarHBondContact O-CA 3.45Å; H301-K395 HydrophobicContact CB-CD 4.34Å; H301-K395 HydrophobicContact CB-CG 4.1Å; H301-K395 WeakPolarHBondContact CD2-CG 3.47Å; H301-K395 WeakPolarHBondContact CE1-CE 3.25Å; H301-K395 VanDerWaalsContact CG-CE 3.43Å; H301-K395 WeakPolarHBondContact ND1-CE 3.31Å; D302-K395 IonicContact OD1-NZ 2.63Å; D302-K395 PolarHBondContact OD1-NZ 2.86Å; D302-K395 IonicContact OD2-NZ 3.99Å; K395-R407 PolarHBondContact O-NH1 3.44Å
396F98.8Very high98.6Very high6 Ų637.3 Ų37.33%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-134.2153159.472.8-85.2000110.2I262 F264 F295 V296 E297 E298 V404I262-F396 HydrophobicContact CG2-CE1 3.96Å; I262-F396 HydrophobicContact CG2-CZ 3.97Å; F264-F396 AromaticContact CD1-CE2 3.96Å; F264-F396 HydrophobicContact CD1-CE2 3.96Å; F264-F396 AromaticContact CD1-CZ 3.76Å; F264-F396 HydrophobicContact CD1-CZ 3.76Å; F264-F396 AromaticContact CE1-CE2 3.73Å; F264-F396 HydrophobicContact CE1-CE2 3.73Å; F264-F396 AromaticContact CE1-CZ 3.81Å; F264-F396 HydrophobicContact CE1-CZ 3.81Å; F264-F396 HydrophobicContact CG-CZ 4.31Å; F264-F396 HydrophobicContact CZ-CZ 4.41Å; F295-F396 HydrophobicContact CB-CD1 3.85Å; F295-F396 HydrophobicContact CB-CE1 4.28Å; F295-F396 WeakPolarHBondContact O-CE1 3.42Å; V296-F396 VanDerWaalsContact C-CD1 3.43Å; V296-F396 WeakPolarHBondContact O-CD1 3.48Å; V296-F396 PolarHBondContact O-N 3.48Å; V296-F396 VanDerWaalsContact O-N 3.12Å; E297-F396 HydrophobicContact CB-CE1 3.82Å; E297-F396 HydrophobicContact CB-CE2 3.93Å; E297-F396 HydrophobicContact CB-CZ 3.49Å; E297-F396 VanDerWaalsContact CB-CZ 3.49Å; E297-F396 HydrophobicContact CG-CD2 4.21Å; E297-F396 HydrophobicContact CG-CE1 4.39Å; E297-F396 HydrophobicContact CG-CE2 3.59Å; E297-F396 HydrophobicContact CG-CZ 3.71Å; E298-F396 WeakPolarHBondContact CB-O 3.43Å; E298-F396 PolarHBondContact N-O 2.64Å; F396-V404 HydrophobicContact CB-CB 3.94Å; F396-V404 HydrophobicContact CB-CG2 3.89Å; F396-V404 HydrophobicContact CD1-CB 4.33Å; F396-V404 HydrophobicContact CD1-CG2 3.76Å; F396-V404 HydrophobicContact CD2-CB 3.79Å; F396-V404 HydrophobicContact CD2-CG1 3.99Å; F396-V404 HydrophobicContact CD2-CG2 4.14Å; F396-V404 HydrophobicContact CE1-CG2 4.27Å; F396-V404 HydrophobicContact CE2-CB 4.37Å; F396-V404 HydrophobicContact CE2-CG1 4.09Å; F396-V404 HydrophobicContact CG-CB 3.77Å; F396-V404 HydrophobicContact CG-CG1 4.37Å; F396-V404 HydrophobicContact CG-CG2 3.66Å
397K98.6Very high98.7Very high143 Ų14339 Ų3962%0.62221%0.208SC*.  trans-68.6145.7-172.1-66.2-176.9179.7179.40111.5G399 D400K397-G399 PolarHBondContact O-N 3.19Å; K397-D400 HydrophobicContact CB-CB 4Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 3.04Å; K397-D400 VanDerWaalsContact O-N 3.09Å
398D98.3Very high98.7Very high88 Ų8837.6 Ų37.647%0.47120%0.201SC..THydrogen-bonded Turntrans-54.5127.6175.3-64.5-42.1000111E297 S299 D400E297-D398 WeakPolarHBondContact CG-OD1 3.34Å; E297-D398 VanDerWaalsContact OE1-CA 3.3Å; E297-D398 WeakPolarHBondContact OE1-CA 3.37Å; S299-D398 WeakPolarHBondContact CB-OD1 3.14Å; S299-D398 PolarHBondContact N-OD1 3.46Å; S299-D398 VanDerWaalsContact N-OD1 3.1Å; S299-D398 PolarHBondContact OG-OD1 3.04Å; D398-D400 VanDerWaalsContact C-N 3.3Å; D398-D400 PolarHBondContact O-N 2.92Å
399G96.9Very high98.7Very high60 Ų6039 Ų3962%0.61921%0.208SC*.THydrogen-bonded Turntrans78-2.5179.900000116.3E297 K397 V401E297-G399 PolarHBondContact OE1-N 3.1Å; K397-G399 PolarHBondContact O-N 3.19Å; G399-V401 PolarHBondContact O-N 3.47Å; G399-V401 VanDerWaalsContact O-N 3.08Å
400D98.4Very high98.7Very high65 Ų6544.3 Ų44.335%0.34824%0.237SC..  trans-86.769.8-176.4-173.517.4000113.2K397 D398 G403 V404K397-D400 HydrophobicContact CB-CB 4Å; K397-D400 WeakPolarHBondContact O-CB 3.31Å; K397-D400 PolarHBondContact O-N 3.04Å; K397-D400 VanDerWaalsContact O-N 3.09Å; D398-D400 VanDerWaalsContact C-N 3.3Å; D398-D400 PolarHBondContact O-N 2.92Å; D400-G403 VanDerWaalsContact OD1-CA 3.28Å; D400-G403 WeakPolarHBondContact OD1-CA 3.06Å; D400-G403 PolarHBondContact OD1-N 3.19Å; D400-V404 WeakPolarHBondContact O-CG1 3.45Å; D400-V404 PolarHBondContact O-N 2.8Å
401V98.8Very high98.6Very high26 Ų2645.4 Ų45.416%0.15824%0.243CC..Hα-helixtrans-65.7-46.1-178-178.30000112.2F264 G399 V404 L405 K426 Y429 V430F264-V401 HydrophobicContact CE1-CG2 3.9Å; F264-V401 HydrophobicContact CZ-CG1 4.32Å; F264-V401 HydrophobicContact CZ-CG2 4.15Å; G399-V401 PolarHBondContact O-N 3.47Å; G399-V401 VanDerWaalsContact O-N 3.08Å; V401-V404 VanDerWaalsContact O-CG1 3.24Å; V401-V404 WeakPolarHBondContact O-CG1 3.41Å; V401-L405 HydrophobicContact CG1-CD1 4.05Å; V401-L405 WeakPolarHBondContact O-CB 3.31Å; V401-L405 VanDerWaalsContact O-CG 3.3Å; V401-L405 WeakPolarHBondContact O-CG 3.26Å; V401-L405 PolarHBondContact O-N 3.05Å; V401-L405 VanDerWaalsContact O-N 3.1Å; V401-K426 HydrophobicContact CG2-CD 4.18Å; V401-K426 HydrophobicContact CG2-CG 4.34Å; V401-Y429 HydrophobicContact CG1-CD1 3.84Å; V401-Y429 HydrophobicContact CG1-CE1 3.85Å; V401-V430 HydrophobicContact CG1-CG2 3.88Å
402D98.7Very high98.6Very high95 Ų9551.1 Ų51.151%0.50827%0.27SS..Hα-helixtrans-73.9-36.3-176.5-72.7-34.6000112L405 Q406 Y429D402-L405 PolarHBondContact O-N 2.74Å; D402-Q406 PolarHBondContact O-N 2.92Å; D402-Y429 WeakPolarHBondContact OD1-CE1 3.32Å; D402-Y429 PolarHBondContact OD1-OH 3.16Å; D402-Y429 PolarHBondContact OD2-OH 3.41Å
403G98.6Very high98.6Very high16 Ų1653 Ų5317%0.16528%0.277CS..Hα-helixtrans-64.1-42.9175.800000112.4D400 Q406 R407D400-G403 VanDerWaalsContact OD1-CA 3.28Å; D400-G403 WeakPolarHBondContact OD1-CA 3.06Å; D400-G403 PolarHBondContact OD1-N 3.19Å; G403-Q406 PolarHBondContact O-N 3.47Å; G403-R407 WeakPolarHBondContact O-CG 3.31Å; G403-R407 PolarHBondContact O-N 2.87Å
404V98.8Very high98.5Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-68.2-35.717571.70000112.2I262 F264 F295 F396 D400 V401 R407 A408I262-V404 HydrophobicContact CD1-CG1 4.27Å; I262-V404 HydrophobicContact CD1-CG2 4.31Å; I262-V404 HydrophobicContact CG1-CG2 4.23Å; I262-V404 HydrophobicContact CG2-CG1 4.07Å; I262-V404 HydrophobicContact CG2-CG2 4.12Å; F264-V404 HydrophobicContact CZ-CG1 4.46Å; F295-V404 HydrophobicContact CB-CG2 3.54Å; F295-V404 HydrophobicContact CD1-CG2 4.05Å; F295-V404 HydrophobicContact CD2-CG2 4.44Å; F295-V404 HydrophobicContact CG-CG2 3.77Å; F396-V404 HydrophobicContact CB-CB 3.94Å; F396-V404 HydrophobicContact CB-CG2 3.89Å; F396-V404 HydrophobicContact CD1-CB 4.33Å; F396-V404 HydrophobicContact CD1-CG2 3.76Å; F396-V404 HydrophobicContact CD2-CB 3.79Å; F396-V404 HydrophobicContact CD2-CG1 3.99Å; F396-V404 HydrophobicContact CD2-CG2 4.14Å; F396-V404 HydrophobicContact CE1-CG2 4.27Å; F396-V404 HydrophobicContact CE2-CB 4.37Å; F396-V404 HydrophobicContact CE2-CG1 4.09Å; F396-V404 HydrophobicContact CG-CB 3.77Å; F396-V404 HydrophobicContact CG-CG1 4.37Å; F396-V404 HydrophobicContact CG-CG2 3.66Å; D400-V404 WeakPolarHBondContact O-CG1 3.45Å; D400-V404 PolarHBondContact O-N 2.8Å; V401-V404 VanDerWaalsContact O-CG1 3.24Å; V401-V404 WeakPolarHBondContact O-CG1 3.41Å; V404-R407 PolarHBondContact O-N 3.03Å; V404-A408 VanDerWaalsContact O-CB 3.26Å; V404-A408 WeakPolarHBondContact O-CB 3.33Å; V404-A408 PolarHBondContact O-N 3.16Å
405L98.9Very high98.5Very high5 Ų553.1 Ų53.13%0.02628%0.278CS..Hα-helixtrans-62.4-42.8174.8-82.8169.1000112.3I262 V401 D402 R407 A408 N409 Y429 V430 R433 L434I262-L405 HydrophobicContact CD1-CD2 4.31Å; V401-L405 HydrophobicContact CG1-CD1 4.05Å; V401-L405 WeakPolarHBondContact O-CB 3.31Å; V401-L405 VanDerWaalsContact O-CG 3.3Å; V401-L405 WeakPolarHBondContact O-CG 3.26Å; V401-L405 PolarHBondContact O-N 3.05Å; V401-L405 VanDerWaalsContact O-N 3.1Å; D402-L405 PolarHBondContact O-N 2.74Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.02Å; L405-A408 PolarHBondContact O-N 2.72Å; L405-N409 WeakPolarHBondContact O-CB 3.48Å; L405-N409 PolarHBondContact O-N 2.93Å; L405-N409 PolarHBondContact O-ND2 3.07Å; L405-Y429 HydrophobicContact CD1-CD1 4.13Å; L405-Y429 HydrophobicContact CD1-CE1 3.77Å; L405-V430 HydrophobicContact CD1-CG2 4.41Å; L405-V430 HydrophobicContact CD2-CB 4.47Å; L405-V430 HydrophobicContact CD2-CG1 4.02Å; L405-R433 HydrophobicContact CD1-CB 3.84Å; L405-R433 HydrophobicContact CD1-CG 4.39Å; L405-R433 HydrophobicContact CD2-CB 3.93Å; L405-R433 HydrophobicContact CG-CB 4.49Å; L405-L434 HydrophobicContact CD2-CD2 4.14Å; L405-L434 HydrophobicContact CD2-CG 4.03Å
406Q98.8Very high98.5Very high152 Ų15249.7 Ų49.771%0.7126%0.264SS*.Hα-helixtrans-58.1-46.5176.6-175.3177.42.200111D402 G403 N409 D410D402-Q406 PolarHBondContact O-N 2.92Å; G403-Q406 PolarHBondContact O-N 3.47Å; Q406-N409 PolarHBondContact O-N 3.32Å; Q406-D410 WeakPolarHBondContact O-CB 3.41Å; Q406-D410 PolarHBondContact O-N 3.45Å
407R98.8Very high98.5Very high55 Ų5549.4 Ų49.421%0.20826%0.263CS..Hα-helixtrans-67.6-40.4179-62.3168.661.8-155-2.4112.5R293 F295 D377 K395 G403 V404 L405 N409 D410R293-R407 PolarHBondContact NH1-O 2.98Å; R293-R407 PolarHBondContact NH2-O 3.35Å; R293-R407 VanDerWaalsContact NH2-O 3.13Å; F295-R407 HydrophobicContact CE1-CB 4.03Å; F295-R407 HydrophobicContact CZ-CB 4.23Å; D377-R407 IonicContact OD1-CZ 2.87Å; D377-R407 IonicContact OD1-NE 3.69Å; D377-R407 PolarHBondContact OD1-NE 3.39Å; D377-R407 VanDerWaalsContact OD1-NE 3.14Å; D377-R407 IonicContact OD1-NH2 2.79Å; D377-R407 PolarHBondContact OD1-NH2 2.97Å; D377-R407 WeakPolarHBondContact OD2-CD 3.24Å; D377-R407 WeakPolarHBondContact OD2-CG 3.43Å; D377-R407 IonicContact OD2-CZ 3.86Å; D377-R407 IonicContact OD2-NE 2.7Å; D377-R407 PolarHBondContact OD2-NE 3.45Å; D377-R407 IonicContact OD2-NH2 3.42Å; K395-R407 PolarHBondContact O-NH1 3.44Å; G403-R407 WeakPolarHBondContact O-CG 3.31Å; G403-R407 PolarHBondContact O-N 2.87Å; V404-R407 PolarHBondContact O-N 3.03Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.02Å; R407-N409 VanDerWaalsContact C-N 3.3Å; R407-N409 PolarHBondContact O-N 2.98Å; R407-D410 PolarHBondContact O-N 3.25Å
408A98.8Very high98.6Very high1 Ų142.6 Ų42.61%0.00823%0.233CC..Hα-helixtrans-62.5-37.5176.600000112.1P260 I262 R293 F295 V404 L405 L434P260-A408 HydrophobicContact CB-CB 3.71Å; P260-A408 HydrophobicContact CG-CB 3.92Å; I262-A408 HydrophobicContact CD1-CB 4Å; I262-A408 HydrophobicContact CG1-CB 4.46Å; R293-A408 PolarHBondContact NH2-O 3.23Å; F295-A408 HydrophobicContact CD2-CB 4.4Å; F295-A408 HydrophobicContact CE2-CB 4.04Å; V404-A408 VanDerWaalsContact O-CB 3.26Å; V404-A408 WeakPolarHBondContact O-CB 3.33Å; V404-A408 PolarHBondContact O-N 3.16Å; L405-A408 PolarHBondContact O-N 2.72Å; A408-L434 HydrophobicContact CB-CD2 4.01Å
409N98.9Very high98.6Very high32 Ų3238.4 Ų38.417%0.17121%0.211CC..Hα-helixtrans-85.4-15.2177.7-72.6-25.7000114.2L405 Q406 R407 T411 R433 E435 K457L405-N409 WeakPolarHBondContact O-CB 3.48Å; L405-N409 PolarHBondContact O-N 2.93Å; L405-N409 PolarHBondContact O-ND2 3.07Å; Q406-N409 PolarHBondContact O-N 3.32Å; R407-N409 VanDerWaalsContact C-N 3.3Å; R407-N409 PolarHBondContact O-N 2.98Å; N409-T411 PolarHBondContact O-N 2.81Å; N409-R433 PolarHBondContact ND2-O 3.03Å; N409-E435 PolarHBondContact OD1-N 3.43Å; N409-K457 PolarHBondContact O-NZ 2.94Å
410D98.6Very high98.7Very high112 Ų11235.7 Ų35.760%0.59918%0.182SC*.  trans-7374174.4-169.925.3000110.6R293 Q406 R407R293-D410 PolarHBondContact NH1-O 3.33Å; Q406-D410 WeakPolarHBondContact O-CB 3.41Å; Q406-D410 PolarHBondContact O-N 3.45Å; R407-D410 PolarHBondContact O-N 3.25Å
411T98.4Very high98.7Very high24 Ų2432.6 Ų32.615%0.14717%0.165CC..SBendtrans-159.9147.3174179.20000108.3N409 Y413 K457N409-T411 PolarHBondContact O-N 2.81Å; T411-Y413 WeakPolarHBondContact CG2-O 3.35Å; T411-Y413 PolarHBondContact O-N 3Å; T411-Y413 PolarHBondContact OG1-N 3.49Å; T411-K457 PolarHBondContact O-NZ 2.92Å
412E97.8Very high98.7Very high120 Ų12038 Ų3856%0.56119%0.189SC*.SBendtrans-71.7-13.1173.3-70-68.6158.100112.4K457 Q458E412-K457 WeakPolarHBondContact O-CB 3.38Å; E412-Q458 HydrophobicContact CB-CB 4.38Å; E412-Q458 HydrophobicContact CB-CG 4.08Å; E412-Q458 VanDerWaalsContact O-CB 3.29Å; E412-Q458 WeakPolarHBondContact O-CB 3.37Å; E412-Q458 PolarHBondContact O-N 3.38Å; E412-Q458 PolarHBondContact OE2-NE2 3.29Å
413Y98.7Very high98.7Very high39 Ų3936.1 Ų36.115%0.15318%0.179CC..  trans-90.1161.7179.4-62.9-66.9000112.3G256 K258 T411 S459G256-Y413 WeakPolarHBondContact O-CD1 3.38Å; G256-Y413 WeakPolarHBondContact O-CE1 3.29Å; K258-Y413 HydrophobicContact CB-CD2 3.72Å; K258-Y413 HydrophobicContact CB-CE2 4.46Å; K258-Y413 HydrophobicContact CB-CG 4.46Å; T411-Y413 WeakPolarHBondContact CG2-O 3.35Å; T411-Y413 PolarHBondContact O-N 3Å; T411-Y413 PolarHBondContact OG1-N 3.49Å; Y413-S459 WeakPolarHBondContact CB-OG 3.17Å
414G98.5Very high98.7Very high3 Ų341 Ų413%0.03120%0.2CC..  trans-16242.8-179.400000112.6E435 A436 G437 G455 F456 S459G414-E435 WeakPolarHBondContact CA-O 3.32Å; G414-A436 WeakPolarHBondContact O-CA 3.24Å; G414-G437 PolarHBondContact O-N 2.89Å; G414-G455 CarbonylContact O-C 3.39Å; G414-G455 WeakPolarHBondContact O-CA 3.24Å; G414-F456 PolarHBondContact O-N 3.13Å; G414-S459 PolarHBondContact N-OG 3.05Å
415L98.6Very high98.7Very high1 Ų144.9 Ų44.91%0.00523%0.227CC..SBendtrans-80.9-64-174.5-172.457000112.7E254 C288 I289 G437 T438 F453 S459E254-L415 HydrophobicContact CG-CD1 3.93Å; E254-L415 VanDerWaalsContact OE1-CD2 3.23Å; E254-L415 WeakPolarHBondContact OE1-CD2 3.22Å; C288-L415 HydrophobicContact CB-CD2 3.79Å; C288-L415 VanDerWaalsContact O-CD2 3.25Å; C288-L415 WeakPolarHBondContact O-CD2 3.48Å; I289-L415 HydrophobicContact CG2-CD2 4.44Å; I289-L415 HydrophobicContact CG2-CG 4.4Å; L415-G437 PolarHBondContact O-N 2.93Å; L415-T438 PolarHBondContact O-N 3.33Å; L415-F453 HydrophobicContact CD1-CE1 4.33Å; L415-F453 HydrophobicContact CD1-CE2 3.93Å; L415-F453 HydrophobicContact CD1-CZ 3.58Å; L415-F453 HydrophobicContact CD2-CZ 4.13Å; L415-F453 HydrophobicContact CG-CE2 4.21Å; L415-F453 HydrophobicContact CG-CZ 3.96Å; L415-S459 PolarHBondContact N-OG 2.97Å
416A98.8Very high98.7Very high1 Ų146.6 Ų46.61%0.00823%0.234CC..  trans-135.1170.717800000110.9S259 I289 T438 F440S259-A416 VanDerWaalsContact CA-O 3.32Å; S259-A416 WeakPolarHBondContact CA-O 3.03Å; S259-A416 WeakPolarHBondContact CB-O 3.47Å; S259-A416 PolarHBondContact OG-N 3.32Å; S259-A416 PolarHBondContact OG-O 3.34Å; I289-A416 HydrophobicContact CB-CB 3.79Å; I289-A416 HydrophobicContact CG2-CB 3.84Å; A416-T438 CarbonylContact C-O 3.55Å; A416-T438 WeakPolarHBondContact CA-O 3.46Å; A416-F440 HydrophobicContact CB-CE2 4.25Å
417S98.9Very high98.7Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-162171.517461.60000110.1P260 T438 V439 F440P260-S417 CarbonylContact O-C 3.5Å; P260-S417 WeakPolarHBondContact O-CA 3.21Å; S417-T438 PolarHBondContact N-O 2.83Å; S417-T438 PolarHBondContact OG-O 2.89Å; S417-T438 VanDerWaalsContact OG-O 3.12Å; S417-V439 WeakPolarHBondContact O-CA 3.43Å; S417-V439 WeakPolarHBondContact OG-CG2 3.33Å; S417-F440 WeakPolarHBondContact O-CD2 3.34Å; S417-F440 PolarHBondContact O-N 3.13Å
418G98.9Very high98.7Very high0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-159.5167.4168.400000114.7P260 L261 I262 F440P260-G418 PolarHBondContact O-N 3.4Å; L261-G418 WeakPolarHBondContact CA-O 3.47Å; L261-G418 VanDerWaalsContact CD1-C 3.44Å; I262-G418 PolarHBondContact N-O 2.86Å; G418-F440 CarbonylContact C-O 3.58Å; G418-F440 WeakPolarHBondContact CA-O 3.18Å
419V98.9Very high98.7Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-140.9133.6-179.960.30000111.3I262 F264 T421 V430 F440 V441 N442I262-V419 CarbonylContact O-C 3.19Å; I262-V419 VanDerWaalsContact O-CA 3.26Å; I262-V419 WeakPolarHBondContact O-CA 3.43Å; F264-V419 HydrophobicContact CD2-CG2 3.89Å; F264-V419 HydrophobicContact CE2-CG2 3.7Å; V419-T421 HydrophobicContact CG2-CG2 3.97Å; V419-V430 HydrophobicContact CB-CG1 3.8Å; V419-V430 HydrophobicContact CG1-CG1 4.15Å; V419-V430 HydrophobicContact CG2-CB 4.23Å; V419-V430 HydrophobicContact CG2-CG1 3.83Å; V419-F440 PolarHBondContact N-O 2.88Å; V419-V441 HydrophobicContact CG1-CB 4.4Å; V419-V441 HydrophobicContact CG1-CG1 4.36Å; V419-V441 HydrophobicContact CG1-CG2 3.89Å; V419-V441 WeakPolarHBondContact O-CA 3.43Å; V419-N442 PolarHBondContact O-N 2.78Å
420F98.9Very high98.7Very high2 Ų243.4 Ų43.41%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-113.4118.3171.4-73.7-89.5000110L261 I262 I263 F264 C267 A272 M275 N442L261-F420 HydrophobicContact CD1-CD2 3.61Å; L261-F420 HydrophobicContact CD1-CE2 3.47Å; L261-F420 VanDerWaalsContact CD1-CE2 3.47Å; L261-F420 HydrophobicContact CD2-CD2 4.26Å; L261-F420 HydrophobicContact CD2-CE2 3.91Å; L261-F420 HydrophobicContact CG-CD2 4.19Å; L261-F420 HydrophobicContact CG-CE2 4.17Å; I262-F420 PolarHBondContact O-N 3.2Å; I263-F420 HydrophobicContact CG1-CB 4.42Å; I263-F420 HydrophobicContact CG1-CD2 4.15Å; I263-F420 HydrophobicContact CG2-CB 4.25Å; F264-F420 PolarHBondContact N-O 3.22Å; C267-F420 HydrophobicContact CB-CB 3.93Å; A272-F420 HydrophobicContact CB-CD1 4.41Å; A272-F420 HydrophobicContact CB-CG 4.44Å; M275-F420 HydrophobicContact CB-CE1 3.72Å; M275-F420 HydrophobicContact CB-CE2 4.26Å; M275-F420 HydrophobicContact CB-CZ 3.31Å; M275-F420 HydrophobicContact CG-CE1 4.08Å; M275-F420 HydrophobicContact CG-CZ 4.06Å; F420-N442 WeakPolarHBondContact CA-OD1 3.44Å; F420-N442 HydrophobicContact CD1-CB 4.49Å
421T98.9Very high98.7Very high0 Ų039.6 Ų39.60%020%0.202CC..  trans-166.7143.5-177.4176.80000108.8D266 V419 D423 K426 A427 N442D266-T421 WeakPolarHBondContact OD1-CA 3.36Å; D266-T421 PolarHBondContact OD1-OG1 2.64Å; D266-T421 PolarHBondContact OD2-OG1 2.72Å; V419-T421 HydrophobicContact CG2-CG2 3.97Å; T421-D423 PolarHBondContact OG1-N 2.76Å; T421-K426 HydrophobicContact CG2-CB 4.15Å; T421-K426 PolarHBondContact OG1-NZ 3.23Å; T421-A427 HydrophobicContact CG2-CB 3.79Å; T421-N442 PolarHBondContact N-OD1 3.39Å; T421-N442 PolarHBondContact O-ND2 3.43Å; T421-N442 PolarHBondContact O-OD1 3.42Å
422Q98.7Very high98.7Very high139 Ų13945.1 Ų45.165%0.6523%0.226SC*.SBendtrans-86.2-20.7170.5-71.5-176.412.400112.6D266 I424D266-Q422 VanDerWaalsContact O-CB 3.28Å; D266-Q422 WeakPolarHBondContact O-CB 3.48Å; D266-Q422 WeakPolarHBondContact O-CG 3.27Å; D266-Q422 PolarHBondContact O-N 2.76Å; Q422-I424 PolarHBondContact O-N 2.88Å
423D98.7Very high98.7Very high57 Ų5743.9 Ų43.931%0.30522%0.216SC..  trans-71.3116.1172.7-179.81.5000112D266 T421 S425 K426 A427D266-D423 VanDerWaalsContact OD2-CB 3.31Å; D266-D423 WeakPolarHBondContact OD2-CB 3.15Å; D266-D423 PolarHBondContact OD2-N 2.89Å; D266-D423 VanDerWaalsContact OD2-N 3.15Å; T421-D423 PolarHBondContact OG1-N 2.76Å; D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.29Å; D423-S425 WeakPolarHBondContact OD1-CA 3.34Å; D423-S425 VanDerWaalsContact OD1-CB 3.23Å; D423-S425 WeakPolarHBondContact OD1-CB 3.46Å; D423-S425 PolarHBondContact OD1-N 2.67Å; D423-S425 PolarHBondContact OD1-OG 3.43Å; D423-K426 HydrophobicContact CB-CB 4.17Å; D423-K426 PolarHBondContact O-N 3.29Å; D423-K426 VanDerWaalsContact OD2-CE 3.23Å; D423-K426 WeakPolarHBondContact OD2-CE 3.41Å; D423-A427 PolarHBondContact O-N 3.16Å
424I98.6Very high98.7Very high119 Ų11942.5 Ų42.561%0.6121%0.212SC*.Hα-helixtrans-63.2-32.3177.2-171.659.5000112.8Q422 A427 M428Q422-I424 PolarHBondContact O-N 2.88Å; I424-A427 PolarHBondContact O-N 3.22Å; I424-M428 HydrophobicContact CD1-CG 4.17Å; I424-M428 HydrophobicContact CG1-CG 4.34Å; I424-M428 VanDerWaalsContact O-CG 3.32Å; I424-M428 WeakPolarHBondContact O-CG 3.27Å; I424-M428 PolarHBondContact O-N 3.03Å
425S98.6Very high98.7Very high81 Ų8147.3 Ų47.357%0.56623%0.233SC*.Hα-helixtrans-66.8-47.7179.9-44.90000109.8D423 Y429D423-S425 VanDerWaalsContact C-N 3.28Å; D423-S425 PolarHBondContact O-N 3.29Å; D423-S425 WeakPolarHBondContact OD1-CA 3.34Å; D423-S425 VanDerWaalsContact OD1-CB 3.23Å; D423-S425 WeakPolarHBondContact OD1-CB 3.46Å; D423-S425 PolarHBondContact OD1-N 2.67Å; D423-S425 PolarHBondContact OD1-OG 3.43Å; S425-Y429 WeakPolarHBondContact O-CB 3.1Å; S425-Y429 PolarHBondContact O-N 3.2Å
426K98.7Very high98.8Very high40 Ų4047.8 Ų47.817%0.17424%0.237CC..Hα-helixtrans-60.5-46.3172.3-84.7-174.6-82.1133.30111.8F264 D266 V401 T421 D423 M428 Y429 V430F264-K426 HydrophobicContact CD1-CD 4.06Å; F264-K426 HydrophobicContact CE1-CD 4.07Å; F264-K426 HydrophobicContact CG-CD 4.34Å; F264-K426 HydrophobicContact CZ-CD 4.37Å; D266-K426 IonicContact OD1-NZ 2.63Å; D266-K426 PolarHBondContact OD1-NZ 3.03Å; D266-K426 IonicContact OD2-NZ 3.52Å; D266-K426 PolarHBondContact OD2-NZ 3.08Å; V401-K426 HydrophobicContact CG2-CD 4.18Å; V401-K426 HydrophobicContact CG2-CG 4.34Å; T421-K426 HydrophobicContact CG2-CB 4.15Å; T421-K426 PolarHBondContact OG1-NZ 3.23Å; D423-K426 HydrophobicContact CB-CB 4.17Å; D423-K426 PolarHBondContact O-N 3.29Å; D423-K426 VanDerWaalsContact OD2-CE 3.23Å; D423-K426 WeakPolarHBondContact OD2-CE 3.41Å; K426-M428 PolarHBondContact O-N 3.3Å; K426-Y429 PolarHBondContact O-N 3.28Å; K426-V430 VanDerWaalsContact O-CB 3.26Å; K426-V430 WeakPolarHBondContact O-CB 3.39Å; K426-V430 VanDerWaalsContact O-CG2 3.25Å; K426-V430 WeakPolarHBondContact O-CG2 3.13Å; K426-V430 PolarHBondContact O-N 3.42Å
427A98.8Very high98.7Very high4 Ų448.4 Ų48.43%0.03324%0.244CC..Hα-helixtrans-55.6-50.9179.600000112.2T421 D423 I424 S431 V441T421-A427 HydrophobicContact CG2-CB 3.79Å; D423-A427 PolarHBondContact O-N 3.16Å; I424-A427 PolarHBondContact O-N 3.22Å; A427-S431 VanDerWaalsContact O-CB 3.29Å; A427-S431 WeakPolarHBondContact O-CB 3.24Å; A427-S431 PolarHBondContact O-N 3.3Å; A427-S431 VanDerWaalsContact O-N 3.07Å; A427-S431 PolarHBondContact O-OG 3.15Å; A427-V441 HydrophobicContact CB-CG1 3.81Å
428M98.8Very high98.7Very high99 Ų9949.7 Ų49.749%0.48825%0.252SS..Hα-helixtrans-65.4-50.8179.2-67-57-58.900111.3I424 K426 V430 S431 E432I424-M428 HydrophobicContact CD1-CG 4.17Å; I424-M428 HydrophobicContact CG1-CG 4.34Å; I424-M428 VanDerWaalsContact O-CG 3.32Å; I424-M428 WeakPolarHBondContact O-CG 3.27Å; I424-M428 PolarHBondContact O-N 3.03Å; K426-M428 PolarHBondContact O-N 3.3Å; M428-V430 PolarHBondContact O-N 3.18Å; M428-S431 PolarHBondContact O-N 3.4Å; M428-S431 VanDerWaalsContact O-N 3.14Å; M428-S431 PolarHBondContact O-OG 2.92Å; M428-E432 WeakPolarHBondContact O-CG 3.31Å; M428-E432 PolarHBondContact O-N 3.01Å
429Y98.8Very high98.7Very high71 Ų7151.7 Ų51.728%0.27826%0.264SS..Hα-helixtrans-57.6-45.6-177.8-178.7-90.6000113.2V401 D402 L405 S425 K426 R433V401-Y429 HydrophobicContact CG1-CD1 3.84Å; V401-Y429 HydrophobicContact CG1-CE1 3.85Å; D402-Y429 WeakPolarHBondContact OD1-CE1 3.32Å; D402-Y429 PolarHBondContact OD1-OH 3.16Å; D402-Y429 PolarHBondContact OD2-OH 3.41Å; L405-Y429 HydrophobicContact CD1-CD1 4.13Å; L405-Y429 HydrophobicContact CD1-CE1 3.77Å; S425-Y429 WeakPolarHBondContact O-CB 3.1Å; S425-Y429 PolarHBondContact O-N 3.2Å; K426-Y429 PolarHBondContact O-N 3.28Å; Y429-R433 VanDerWaalsContact CE2-NE 3.25Å; Y429-R433 VanDerWaalsContact CE2-NH1 3.3Å; Y429-R433 VanDerWaalsContact CZ-CD 3.45Å; Y429-R433 WeakPolarHBondContact O-CD 3.4Å; Y429-R433 WeakPolarHBondContact O-CG 3.32Å; Y429-R433 PolarHBondContact O-N 3.09Å; Y429-R433 PolarHBondContact O-NH1 3.43Å; Y429-R433 PolarHBondContact OH-NE 2.96Å
430V98.8Very high98.7Very high0 Ų052.4 Ų52.40%027%0.267CS..Hα-helixtrans-67.5-41.9178169.40000110.3I262 F264 V401 L405 V419 K426 M428 E432 R433 L434I262-V430 HydrophobicContact CD1-CG1 4.13Å; F264-V430 HydrophobicContact CE2-CG2 4.09Å; F264-V430 HydrophobicContact CZ-CG2 4.18Å; V401-V430 HydrophobicContact CG1-CG2 3.88Å; L405-V430 HydrophobicContact CD1-CG2 4.41Å; L405-V430 HydrophobicContact CD2-CB 4.47Å; L405-V430 HydrophobicContact CD2-CG1 4.02Å; V419-V430 HydrophobicContact CB-CG1 3.8Å; V419-V430 HydrophobicContact CG1-CG1 4.15Å; V419-V430 HydrophobicContact CG2-CB 4.23Å; V419-V430 HydrophobicContact CG2-CG1 3.83Å; K426-V430 VanDerWaalsContact O-CB 3.26Å; K426-V430 WeakPolarHBondContact O-CB 3.39Å; K426-V430 VanDerWaalsContact O-CG2 3.25Å; K426-V430 WeakPolarHBondContact O-CG2 3.13Å; K426-V430 PolarHBondContact O-N 3.42Å; M428-V430 PolarHBondContact O-N 3.18Å; V430-E432 VanDerWaalsContact C-N 3.3Å; V430-E432 PolarHBondContact O-N 2.79Å; V430-R433 PolarHBondContact O-N 3.45Å; V430-R433 VanDerWaalsContact O-N 3.11Å; V430-L434 HydrophobicContact CG1-CD1 3.61Å; V430-L434 HydrophobicContact CG1-CG 4.09Å; V430-L434 WeakPolarHBondContact O-CG 3.31Å; V430-L434 PolarHBondContact O-N 2.95Å
431S98.6Very high98.7Very high32 Ų3255 Ų5522%0.22428%0.283CS..Hα-helixtrans-64.5-32.5179.673.70000114.1A427 M428 R433A427-S431 VanDerWaalsContact O-CB 3.29Å; A427-S431 WeakPolarHBondContact O-CB 3.24Å; A427-S431 PolarHBondContact O-N 3.3Å; A427-S431 VanDerWaalsContact O-N 3.07Å; A427-S431 PolarHBondContact O-OG 3.15Å; M428-S431 PolarHBondContact O-N 3.4Å; M428-S431 VanDerWaalsContact O-N 3.14Å; M428-S431 PolarHBondContact O-OG 2.92Å; S431-R433 VanDerWaalsContact C-N 3.31Å
432E98.6Very high98.7Very high139 Ų13957.2 Ų57.265%0.6530%0.295SS*.Hα-helixtrans-72.5-24.3175.2-71172.9-177.900113.1M428 V430M428-E432 WeakPolarHBondContact O-CG 3.31Å; M428-E432 PolarHBondContact O-N 3.01Å; V430-E432 VanDerWaalsContact C-N 3.3Å; V430-E432 PolarHBondContact O-N 2.79Å
433R98.8Very high98.7Very high94 Ų9452.7 Ų52.736%0.35528%0.277SS..Hα-helixtrans-101.8-19.3-172.2-77168.7177.266.22.4114.2L405 N409 Y429 V430 S431 E435L405-R433 HydrophobicContact CD1-CB 3.84Å; L405-R433 HydrophobicContact CD1-CG 4.39Å; L405-R433 HydrophobicContact CD2-CB 3.93Å; L405-R433 HydrophobicContact CG-CB 4.49Å; N409-R433 PolarHBondContact ND2-O 3.03Å; Y429-R433 VanDerWaalsContact CE2-NE 3.25Å; Y429-R433 VanDerWaalsContact CE2-NH1 3.3Å; Y429-R433 VanDerWaalsContact CZ-CD 3.45Å; Y429-R433 WeakPolarHBondContact O-CD 3.4Å; Y429-R433 WeakPolarHBondContact O-CG 3.32Å; Y429-R433 PolarHBondContact O-N 3.09Å; Y429-R433 PolarHBondContact O-NH1 3.43Å; Y429-R433 PolarHBondContact OH-NE 2.96Å; V430-R433 PolarHBondContact O-N 3.45Å; V430-R433 VanDerWaalsContact O-N 3.11Å; S431-R433 VanDerWaalsContact C-N 3.31Å; R433-E435 PolarHBondContact O-N 2.88Å
434L98.8Very high98.7Very high11 Ų1150.2 Ų50.26%0.05826%0.263CS..  trans-68.1122.4174.2-77.4164.9000110.1P260 I262 L405 A408 V430 A436 V439P260-L434 HydrophobicContact CG-CD2 4.01Å; I262-L434 HydrophobicContact CD1-CD2 4.21Å; L405-L434 HydrophobicContact CD2-CD2 4.14Å; L405-L434 HydrophobicContact CD2-CG 4.03Å; A408-L434 HydrophobicContact CB-CD2 4.01Å; V430-L434 HydrophobicContact CG1-CD1 3.61Å; V430-L434 HydrophobicContact CG1-CG 4.09Å; V430-L434 WeakPolarHBondContact O-CG 3.31Å; V430-L434 PolarHBondContact O-N 2.95Å; L434-A436 PolarHBondContact O-N 3.3Å; L434-V439 HydrophobicContact CB-CG2 4.18Å; L434-V439 HydrophobicContact CD1-CG1 3.87Å
435E98.7Very high98.7Very high103 Ų10345.7 Ų45.748%0.48124%0.24SC..  trans-85.564.2-179.9-64.9-171.4151.200111.1N409 G414 R433 K457N409-E435 PolarHBondContact OD1-N 3.43Å; G414-E435 WeakPolarHBondContact CA-O 3.32Å; R433-E435 PolarHBondContact O-N 2.88Å; E435-K457 WeakPolarHBondContact OE2-CE 3.21Å; E435-K457 IonicContact OE2-NZ 2.82Å; E435-K457 PolarHBondContact OE2-NZ 2.82Å
436A98.8Very high98.7Very high11 Ų1147.9 Ų47.99%0.09124%0.24CC..SBendtrans-135.5150.2-179.600000112.5G414 L434 T438 F456G414-A436 WeakPolarHBondContact O-CA 3.24Å; L434-A436 PolarHBondContact O-N 3.3Å; A436-T438 PolarHBondContact O-N 3.42Å; A436-F456 VanDerWaalsContact C-CE2 3.41Å; A436-F456 WeakPolarHBondContact O-CE2 3.43Å
437G98.5Very high98.7Very high15 Ų1547.6 Ų47.616%0.15524%0.241CC..SBendtrans-68.9-13179.900000115G414 L415 G454G414-G437 PolarHBondContact O-N 2.89Å; L415-G437 PolarHBondContact O-N 2.93Å; G437-G454 WeakPolarHBondContact CA-O 3.2Å
438T98.9Very high98.7Very high26 Ų2650.3 Ų50.316%0.1626%0.255CS..  trans-146.5136.7173.6-610000109.6L415 A416 S417 A436 F440L415-T438 PolarHBondContact O-N 3.33Å; A416-T438 CarbonylContact C-O 3.55Å; A416-T438 WeakPolarHBondContact CA-O 3.46Å; S417-T438 PolarHBondContact N-O 2.83Å; S417-T438 PolarHBondContact OG-O 2.89Å; S417-T438 VanDerWaalsContact OG-O 3.12Å; A436-T438 PolarHBondContact O-N 3.42Å; T438-F440 HydrophobicContact CG2-CD1 4.23Å; T438-F440 HydrophobicContact CG2-CD2 4.46Å; T438-F440 HydrophobicContact CG2-CE1 3.72Å; T438-F440 HydrophobicContact CG2-CE2 3.98Å; T438-F440 HydrophobicContact CG2-CZ 3.57Å
439V98.9Very high98.7Very high42 Ų4246.2 Ų46.226%0.25524%0.236SC..EExtended strand (participates in β ladder)trans-123.1120.9173-171.60000109.1S417 L434S417-V439 WeakPolarHBondContact O-CA 3.43Å; S417-V439 WeakPolarHBondContact OG-CG2 3.33Å; L434-V439 HydrophobicContact CB-CG2 4.18Å; L434-V439 HydrophobicContact CD1-CG1 3.87Å
440F98.9Very high98.7Very high15 Ų1545.2 Ų45.27%0.06624%0.242CC..EExtended strand (participates in β ladder)trans-94.8129.4173.7-56.6-70.2000111.1I289 A416 S417 G418 V419 T438 T443 Y444 K446I289-F440 HydrophobicContact CD1-CE2 4.17Å; I289-F440 HydrophobicContact CD1-CZ 4.02Å; A416-F440 HydrophobicContact CB-CE2 4.25Å; S417-F440 WeakPolarHBondContact O-CD2 3.34Å; S417-F440 PolarHBondContact O-N 3.13Å; G418-F440 CarbonylContact C-O 3.58Å; G418-F440 WeakPolarHBondContact CA-O 3.18Å; V419-F440 PolarHBondContact N-O 2.88Å; T438-F440 HydrophobicContact CG2-CD1 4.23Å; T438-F440 HydrophobicContact CG2-CD2 4.46Å; T438-F440 HydrophobicContact CG2-CE1 3.72Å; T438-F440 HydrophobicContact CG2-CE2 3.98Å; T438-F440 HydrophobicContact CG2-CZ 3.57Å; F440-T443 HydrophobicContact CB-CG2 4.14Å; F440-T443 WeakPolarHBondContact CB-O 3.37Å; F440-T443 HydrophobicContact CD1-CG2 4.37Å; F440-Y444 HydrophobicContact CB-CD2 4.14Å; F440-Y444 HydrophobicContact CD2-CD1 4.28Å; F440-Y444 AromaticContact CD2-CD2 3.76Å; F440-Y444 HydrophobicContact CD2-CD2 3.76Å; F440-Y444 HydrophobicContact CD2-CE1 4.33Å; F440-Y444 AromaticContact CD2-CE2 3.82Å; F440-Y444 HydrophobicContact CD2-CE2 3.82Å; F440-Y444 HydrophobicContact CD2-CG 4.02Å; F440-Y444 HydrophobicContact CE2-CD1 4.45Å; F440-Y444 HydrophobicContact CE2-CE1 4.37Å; F440-Y444 HydrophobicContact CG-CD2 4.32Å; F440-K446 HydrophobicContact CD1-CB 4.46Å; F440-K446 HydrophobicContact CE1-CB 4.42Å
441V98.9Very high98.7Very high58 Ų5848.1 Ų48.135%0.35226%0.262SS..EExtended strand (participates in β ladder)trans-110.8120.4176.8-179.50000109.3V419 A427 T443V419-V441 HydrophobicContact CG1-CB 4.4Å; V419-V441 HydrophobicContact CG1-CG1 4.36Å; V419-V441 HydrophobicContact CG1-CG2 3.89Å; V419-V441 WeakPolarHBondContact O-CA 3.43Å; A427-V441 HydrophobicContact CB-CG1 3.81Å; V441-T443 PolarHBondContact O-N 3.46Å
442N98.7Very high98.7Very high45 Ų4548.7 Ų48.724%0.24127%0.266CS..SBendtrans53.826.9-179.8-66.9-41.8000114.5K271 V419 F420 T421K271-N442 WeakPolarHBondContact CE-O 3.4Å; K271-N442 PolarHBondContact NZ-O 3.14Å; V419-N442 PolarHBondContact O-N 2.78Å; F420-N442 WeakPolarHBondContact CA-OD1 3.44Å; F420-N442 HydrophobicContact CD1-CB 4.49Å; T421-N442 PolarHBondContact N-OD1 3.39Å; T421-N442 PolarHBondContact O-ND2 3.43Å; T421-N442 PolarHBondContact O-OD1 3.42Å
443T98.8Very high98.7Very high45 Ų4542.4 Ų42.428%0.27624%0.236SC..  trans-157.4174174.5-168.80000108.5F440 V441 K446F440-T443 HydrophobicContact CB-CG2 4.14Å; F440-T443 WeakPolarHBondContact CB-O 3.37Å; F440-T443 HydrophobicContact CD1-CG2 4.37Å; V441-T443 PolarHBondContact O-N 3.46Å; T443-K446 HydrophobicContact CG2-CB 4.03Å
444Y98.8Very high98.7Very high4 Ų438 Ų382%0.01622%0.219CC..SBendtrans-156163.2171.2-144.2-91.6000109.8S259 L261 M275 S279 I289 A291 F440 K446S259-Y444 WeakPolarHBondContact CB-OH 3.41Å; L261-Y444 HydrophobicContact CB-CE2 4.32Å; L261-Y444 HydrophobicContact CD1-CD2 3.71Å; L261-Y444 HydrophobicContact CD1-CE2 3.75Å; L261-Y444 HydrophobicContact CD2-CD2 4.46Å; L261-Y444 HydrophobicContact CG-CE2 4.45Å; M275-Y444 VanDerWaalsContact CE-O 3.29Å; M275-Y444 WeakPolarHBondContact CE-O 3.39Å; S279-Y444 VanDerWaalsContact CB-CG 3.48Å; I289-Y444 WeakPolarHBondContact O-CE1 3.22Å; I289-Y444 PolarHBondContact O-OH 2.91Å; A291-Y444 HydrophobicContact CB-CE1 4.19Å; A291-Y444 HydrophobicContact CB-CE2 4.41Å; F440-Y444 HydrophobicContact CB-CD2 4.14Å; F440-Y444 HydrophobicContact CD2-CD1 4.28Å; F440-Y444 AromaticContact CD2-CD2 3.76Å; F440-Y444 HydrophobicContact CD2-CD2 3.76Å; F440-Y444 HydrophobicContact CD2-CE1 4.33Å; F440-Y444 AromaticContact CD2-CE2 3.82Å; F440-Y444 HydrophobicContact CD2-CE2 3.82Å; F440-Y444 HydrophobicContact CD2-CG 4.02Å; F440-Y444 HydrophobicContact CE2-CD1 4.45Å; F440-Y444 HydrophobicContact CE2-CE1 4.37Å; F440-Y444 HydrophobicContact CG-CD2 4.32Å; Y444-K446 PolarHBondContact O-N 3.29Å
445N98.3Very high98.6Very high25 Ų2537.6 Ų37.613%0.13422%0.219CC..SBendtrans55.616.5-176.2-65.9-40.2000114.6S278 N287 T447S278-N445 VanDerWaalsContact C-ND2 3.33Å; S278-N445 PolarHBondContact O-ND2 3.25Å; S278-N445 PolarHBondContact OG-ND2 3.47Å; N287-N445 PolarHBondContact ND2-OD1 2.91Å; N445-T447 PolarHBondContact O-N 2.85Å
446K98.6Very high98.6Very high126 Ų12637.5 Ų37.555%0.54822%0.217SC..  trans-8965-175.9-174.945.8-176.3150.30110.3F440 T443 Y444F440-K446 HydrophobicContact CD1-CB 4.46Å; F440-K446 HydrophobicContact CE1-CB 4.42Å; T443-K446 HydrophobicContact CG2-CB 4.03Å; Y444-K446 PolarHBondContact O-N 3.29Å
447T98.7Very high98.6Very high34 Ų3441.1 Ų41.121%0.20923%0.23CC..  trans-73.7160.8167.8560000110.3W163 I289 N445W163-T447 HydrophobicContact CH2-CG2 4.31Å; I289-T447 HydrophobicContact CD1-CG2 3.91Å; N445-T447 PolarHBondContact O-N 2.85Å
448D98.8Very high98.6Very high62 Ų6243.3 Ų43.333%0.33224%0.237SC..  trans-151.9143.6176.7-169.6-85000108.9A450 S451D448-A450 PolarHBondContact O-N 2.91Å; D448-A450 VanDerWaalsContact O-N 3.12Å; D448-A450 WeakPolarHBondContact OD1-CB 3.43Å; D448-A450 PolarHBondContact OD1-N 3.48Å; D448-S451 PolarHBondContact O-N 3.44Å
449V98.8Very high98.6Very high13 Ų1342.1 Ų42.18%0.07923%0.229CC..THydrogen-bonded Turntrans-62.2-21.6-176.6-57.80000113.4M106 Q109 T110 Y113 L465 G466M106-V449 HydrophobicContact CE-CG1 3.98Å; M106-V449 HydrophobicContact CG-CG1 4.01Å; Q109-V449 HydrophobicContact CB-CG1 3.92Å; Q109-V449 HydrophobicContact CB-CG2 4.48Å; T110-V449 WeakPolarHBondContact OG1-CG1 3.24Å; Y113-V449 WeakPolarHBondContact CD1-O 3.27Å; Y113-V449 HydrophobicContact CD2-CG2 4Å; Y113-V449 VanDerWaalsContact CE1-O 3.31Å; Y113-V449 WeakPolarHBondContact CE1-O 3.22Å; Y113-V449 HydrophobicContact CG-CB 4.25Å; Y113-V449 HydrophobicContact CG-CG2 3.84Å; V449-L465 HydrophobicContact CB-CD2 4.5Å; V449-G466 PolarHBondContact O-N 2.71Å
450A98.7Very high98.6Very high49 Ų4940.5 Ų40.541%0.40522%0.221SC..THydrogen-bonded Turntrans-89.6-12.4175.500000114.1Y113 D448 G466Y113-A450 HydrophobicContact CD2-CB 4.34Å; Y113-A450 HydrophobicContact CE2-CB 3.61Å; D448-A450 PolarHBondContact O-N 2.91Å; D448-A450 VanDerWaalsContact O-N 3.12Å; D448-A450 WeakPolarHBondContact OD1-CB 3.43Å; D448-A450 PolarHBondContact OD1-N 3.48Å; A450-G466 VanDerWaalsContact O-CA 3.29Å; A450-G466 WeakPolarHBondContact O-CA 3.35Å
451S98.5Very high98.6Very high61 Ų6143.9 Ų43.943%0.42724%0.236SC..SBendtrans-93.7124.2179.4-173.70000110.3D448 L465D448-S451 PolarHBondContact O-N 3.44Å; S451-L465 VanDerWaalsContact O-CB 3.29Å; S451-L465 WeakPolarHBondContact O-CB 3.34Å
452P98.5Very high98.6Very high45 Ų4542 Ų4229%0.29223%0.228SC..  trans-65.5138.3179.628.8-35.3000111.1K463 D468P452-K463 HydrophobicContact CB-CB 4.21Å; P452-K463 HydrophobicContact CB-CD 4.26Å; P452-K463 HydrophobicContact CB-CG 4.15Å; P452-D468 HydrophobicContact CB-CB 4.02Å
453F98.8Very high98.6Very high6 Ų642 Ų423%0.02623%0.226CC..BIsolated β-bridgetrans-127.1133.6-178.6172.7-100.2000111.3W163 E254 I289 L415 K463 D464 L465W163-F453 HydrophobicContact CE3-CD1 4.19Å; W163-F453 HydrophobicContact CH2-CD1 4.36Å; W163-F453 HydrophobicContact CZ3-CB 4.32Å; W163-F453 AromaticContact CZ3-CD1 3.44Å; W163-F453 HydrophobicContact CZ3-CD1 3.44Å; W163-F453 VanDerWaalsContact CZ3-CD1 3.44Å; W163-F453 AromaticContact CZ3-CE1 3.9Å; W163-F453 HydrophobicContact CZ3-CE1 3.9Å; W163-F453 AromaticContact CZ3-CG 3.94Å; W163-F453 HydrophobicContact CZ3-CG 3.94Å; E254-F453 HydrophobicContact CG-CE1 3.73Å; E254-F453 HydrophobicContact CG-CZ 4.27Å; I289-F453 HydrophobicContact CG2-CD2 4.29Å; I289-F453 HydrophobicContact CG2-CE2 3.21Å; I289-F453 HydrophobicContact CG2-CZ 3.52Å; L415-F453 HydrophobicContact CD1-CE1 4.33Å; L415-F453 HydrophobicContact CD1-CE2 3.93Å; L415-F453 HydrophobicContact CD1-CZ 3.58Å; L415-F453 HydrophobicContact CD2-CZ 4.13Å; L415-F453 HydrophobicContact CG-CE2 4.21Å; L415-F453 HydrophobicContact CG-CZ 3.96Å; F453-K463 CarbonylContact O-C 3.54Å; F453-K463 VanDerWaalsContact O-CA 3.23Å; F453-K463 WeakPolarHBondContact O-CA 3.46Å; F453-D464 PolarHBondContact N-O 3.23Å; F453-D464 PolarHBondContact O-N 2.98Å; F453-L465 HydrophobicContact CB-CD1 4.4Å
454G98.2Very high98.6Very high1 Ų140.1 Ų40.11%0.0121%0.214CC..  trans161.1155.8175.100000111.2G437 K463G437-G454 WeakPolarHBondContact CA-O 3.2Å; G454-K463 PolarHBondContact O-NZ 2.96Å
455G98.1Very high98.6Very high4 Ų439.9 Ų39.94%0.04121%0.214CC..  trans-87.3176.9-168.200000116.4G414G414-G455 CarbonylContact O-C 3.39Å; G414-G455 WeakPolarHBondContact O-CA 3.24Å
456F98.3Very high98.6Very high101 Ų10138.7 Ų38.744%0.44321%0.207SC..SBendtrans-112.8176.5164.6-60-25.6000110.2G414 A436 Q458 S459G414-F456 PolarHBondContact O-N 3.13Å; A436-F456 VanDerWaalsContact C-CE2 3.41Å; A436-F456 WeakPolarHBondContact O-CE2 3.43Å; F456-Q458 PolarHBondContact O-N 3.05Å; F456-S459 VanDerWaalsContact O-CB 3.31Å; F456-S459 WeakPolarHBondContact O-CB 3.33Å; F456-S459 PolarHBondContact O-N 2.92Å
457K98.6Very high98.6Very high86 Ų8638 Ų3837%0.37421%0.206SC..G310 helixtrans51.8-132.2175.8-55178177.6175.50111.9N409 T411 E412 E435 S459 G460N409-K457 PolarHBondContact O-NZ 2.94Å; T411-K457 PolarHBondContact O-NZ 2.92Å; E412-K457 WeakPolarHBondContact O-CB 3.38Å; E435-K457 WeakPolarHBondContact OE2-CE 3.21Å; E435-K457 IonicContact OE2-NZ 2.82Å; E435-K457 PolarHBondContact OE2-NZ 2.82Å; K457-S459 VanDerWaalsContact C-N 3.27Å; K457-S459 PolarHBondContact O-N 2.96Å; K457-G460 PolarHBondContact O-N 2.93Å
458Q98.6Very high98.6Very high62 Ų6240 Ų4029%0.2922%0.215SC..G310 helixtrans-80.2-2.3178.4-58.6-158.743.900114.1T233 L255 E412 F456 G460T233-Q458 HydrophobicContact CG2-CB 4.32Å; L255-Q458 WeakPolarHBondContact CD1-O 3.5Å; E412-Q458 HydrophobicContact CB-CB 4.38Å; E412-Q458 HydrophobicContact CB-CG 4.08Å; E412-Q458 VanDerWaalsContact O-CB 3.29Å; E412-Q458 WeakPolarHBondContact O-CB 3.37Å; E412-Q458 PolarHBondContact O-N 3.38Å; E412-Q458 PolarHBondContact OE2-NE2 3.29Å; F456-Q458 PolarHBondContact O-N 3.05Å; Q458-G460 PolarHBondContact O-N 2.93Å
459S98.8Very high98.6Very high0 Ų037 Ų370%020%0.2CC..G310 helixtrans-74.70.4167.8-610000112.7L255 G256 Y413 G414 L415 F456 K457L255-S459 PolarHBondContact N-O 3.33Å; G256-S459 WeakPolarHBondContact O-CB 3.29Å; G256-S459 PolarHBondContact O-OG 3.37Å; Y413-S459 WeakPolarHBondContact CB-OG 3.17Å; G414-S459 PolarHBondContact N-OG 3.05Å; L415-S459 PolarHBondContact N-OG 2.97Å; F456-S459 VanDerWaalsContact O-CB 3.31Å; F456-S459 WeakPolarHBondContact O-CB 3.33Å; F456-S459 PolarHBondContact O-N 2.92Å; K457-S459 VanDerWaalsContact C-N 3.27Å; K457-S459 PolarHBondContact O-N 2.96Å
460G98.7Very high98.6Very high8 Ų836.7 Ų36.78%0.08220%0.197CC..EExtended strand (participates in β ladder)trans97.6-154.9171.400000113.4L253 K457 Q458L253-G460 CarbonylContact O-C 3.57Å; L253-G460 VanDerWaalsContact O-CA 3.29Å; L253-G460 WeakPolarHBondContact O-CA 3.47Å; K457-G460 PolarHBondContact O-N 2.93Å; Q458-G460 PolarHBondContact O-N 2.93Å
461F98.8Very high98.6Very high86 Ų8638.6 Ų38.638%0.37720%0.2SC..EExtended strand (participates in β ladder)trans-162161.9-173.452.7-97.3000112.1M240 V251 L253M240-F461 HydrophobicContact CE-CE1 4.18Å; M240-F461 HydrophobicContact CE-CZ 3.88Å; M240-F461 HydrophobicContact SD-CE1 4.05Å; M240-F461 HydrophobicContact SD-CZ 3.92Å; V251-F461 HydrophobicContact CG1-CE2 4.11Å; V251-F461 HydrophobicContact CG1-CZ 4.08Å; V251-F461 WeakPolarHBondContact O-CE2 3.43Å; L253-F461 HydrophobicContact CD1-CE1 3.95Å; L253-F461 HydrophobicContact CD1-CZ 3.96Å; L253-F461 HydrophobicContact CG-CZ 4.3Å; L253-F461 PolarHBondContact N-O 3.47Å; L253-F461 PolarHBondContact O-N 2.87Å; L253-F461 VanDerWaalsContact O-O 3.08Å
462G98.4Very high98.6Very high19 Ų1937.9 Ų37.920%0.19619%0.19CC..  trans90.2165.3-167.400000110.9E472G462-E472 WeakPolarHBondContact CA-OE1 3.38Å
463K98.6Very high98.6Very high44 Ų4435.8 Ų35.819%0.19118%0.176CC..  trans-124.3138-179.3-60-65.3178.4173.80110.9P452 F453 G454 D468 A469P452-K463 HydrophobicContact CB-CB 4.21Å; P452-K463 HydrophobicContact CB-CD 4.26Å; P452-K463 HydrophobicContact CB-CG 4.15Å; F453-K463 CarbonylContact O-C 3.54Å; F453-K463 VanDerWaalsContact O-CA 3.23Å; F453-K463 WeakPolarHBondContact O-CA 3.46Å; G454-K463 PolarHBondContact O-NZ 2.96Å; K463-D468 HydrophobicContact CB-CB 4Å; K463-D468 HydrophobicContact CG-CB 4.14Å; K463-A469 VanDerWaalsContact O-CA 3.29Å; K463-A469 WeakPolarHBondContact O-CA 3.34Å; K463-A469 WeakPolarHBondContact O-CB 3.31Å
464D98.9Very high98.6Very high6 Ų636 Ų363%0.03218%0.177CC..BIsolated β-bridgetrans-94.2162.2155.3-66.3-41.8000108.6W163 K164 F453W163-D464 HydrophobicContact CB-CB 4.43Å; W163-D464 HydrophobicContact CE3-CB 4.07Å; K164-D464 WeakPolarHBondContact CG-OD1 2.75Å; K164-D464 IonicContact NZ-OD1 3.85Å; K164-D464 PolarHBondContact NZ-OD1 3.17Å; K164-D464 IonicContact NZ-OD2 2.7Å; K164-D464 PolarHBondContact NZ-OD2 3.05Å; F453-D464 PolarHBondContact N-O 3.23Å; F453-D464 PolarHBondContact O-N 2.98Å
465L98.8Very high98.6Very high0 Ų040 Ų400%020%0.195CC..SBendtrans60.5173.6-177.7-52.1-179.5000114.3M106 T110 W163 V449 S451 F453 A469M106-L465 HydrophobicContact CE-CD1 3.92Å; T110-L465 HydrophobicContact CG2-CD2 4.16Å; W163-L465 HydrophobicContact CB-CD2 4.26Å; W163-L465 HydrophobicContact CD2-CD1 3.87Å; W163-L465 HydrophobicContact CD2-CD2 3.76Å; W163-L465 HydrophobicContact CD2-CG 3.81Å; W163-L465 HydrophobicContact CE3-CD1 3.99Å; W163-L465 HydrophobicContact CE3-CD2 4.42Å; W163-L465 HydrophobicContact CE3-CG 3.98Å; W163-L465 HydrophobicContact CG-CD2 3.66Å; W163-L465 HydrophobicContact CG-CG 4.21Å; W163-L465 HydrophobicContact CH2-CD1 3.76Å; W163-L465 HydrophobicContact CZ2-CD1 3.63Å; W163-L465 HydrophobicContact CZ2-CG 4.49Å; W163-L465 HydrophobicContact CZ3-CD1 3.94Å; W163-L465 HydrophobicContact CZ3-CG 4.38Å; V449-L465 HydrophobicContact CB-CD2 4.5Å; S451-L465 VanDerWaalsContact O-CB 3.29Å; S451-L465 WeakPolarHBondContact O-CB 3.34Å; F453-L465 HydrophobicContact CB-CD1 4.4Å; L465-A469 WeakPolarHBondContact O-CB 3.44Å; L465-A469 PolarHBondContact O-N 2.66Å
466G98.7Very high98.6Very high0 Ų043.8 Ų43.80%022%0.217CC..THydrogen-bonded Turntrans63.1-176.5-179.700000114.2F114 V449 A450 D468F114-G466 VanDerWaalsContact CE1-O 3.25Å; F114-G466 WeakPolarHBondContact CE1-O 3.35Å; F114-G466 WeakPolarHBondContact CZ-O 2.96Å; V449-G466 PolarHBondContact O-N 2.71Å; A450-G466 VanDerWaalsContact O-CA 3.29Å; A450-G466 WeakPolarHBondContact O-CA 3.35Å; G466-D468 VanDerWaalsContact C-N 3.32Å
467E98.8Very high98.6Very high111 Ų11143.6 Ų43.652%0.51922%0.216SC..THydrogen-bonded Turntrans-67.5-36173.2-175.6179.1177.100111.2Y113 W117 A469 L470Y113-E467 PolarHBondContact OH-N 3.34Å; W117-E467 HydrophobicContact CH2-CB 3.86Å; W117-E467 VanDerWaalsContact CH2-CD 3.42Å; W117-E467 HydrophobicContact CH2-CG 3.57Å; W117-E467 WeakPolarHBondContact CH2-OE2 3.09Å; W117-E467 HydrophobicContact CZ2-CB 3.79Å; W117-E467 HydrophobicContact CZ2-CG 4Å; W117-E467 HydrophobicContact CZ3-CG 3.88Å; E467-A469 PolarHBondContact O-N 2.64Å; E467-L470 VanDerWaalsContact O-CB 3.31Å; E467-L470 WeakPolarHBondContact O-CB 3.42Å; E467-L470 PolarHBondContact O-N 2.73Å
468D98.5Very high98.7Very high76 Ų7642.9 Ų42.941%0.40623%0.226SC..Hα-helixtrans-56.2-35.4-176.9-63.7-93.9000113.4P452 K463 G466 L470 L471P452-D468 HydrophobicContact CB-CB 4.02Å; K463-D468 HydrophobicContact CB-CB 4Å; K463-D468 HydrophobicContact CG-CB 4.14Å; G466-D468 VanDerWaalsContact C-N 3.32Å; D468-L470 PolarHBondContact O-N 3.03Å; D468-L471 VanDerWaalsContact O-CB 3.31Å; D468-L471 WeakPolarHBondContact O-CB 3.41Å; D468-L471 PolarHBondContact O-N 2.94Å
469A98.8Very high98.7Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-59.6-29.2176.400000113.1F114 A167 K463 L465 E467 L471 E472 Y473F114-A469 HydrophobicContact CE1-CB 4.36Å; F114-A469 HydrophobicContact CZ-CB 3.99Å; A167-A469 HydrophobicContact CB-CB 4.01Å; K463-A469 VanDerWaalsContact O-CA 3.29Å; K463-A469 WeakPolarHBondContact O-CA 3.34Å; K463-A469 WeakPolarHBondContact O-CB 3.31Å; L465-A469 WeakPolarHBondContact O-CB 3.44Å; L465-A469 PolarHBondContact O-N 2.66Å; E467-A469 PolarHBondContact O-N 2.64Å; A469-L471 PolarHBondContact O-N 2.92Å; A469-E472 WeakPolarHBondContact O-CB 3.42Å; A469-E472 PolarHBondContact O-N 3.08Å; A469-Y473 VanDerWaalsContact O-CD2 3.27Å; A469-Y473 WeakPolarHBondContact O-CD2 3.32Å
470L98.8Very high98.6Very high5 Ų545.7 Ų45.73%0.02625%0.248CC..Hα-helixtrans-64.2-32.4176.7-64.4166.8000111.5F114 W117 I121 A170 E467 D468 E472 Y473 L474F114-L470 HydrophobicContact CD1-CD2 3.92Å; F114-L470 HydrophobicContact CD1-CG 4.3Å; F114-L470 HydrophobicContact CE1-CD2 4.14Å; F114-L470 HydrophobicContact CE1-CG 4.1Å; W117-L470 HydrophobicContact CB-CD1 3.75Å; W117-L470 HydrophobicContact CD2-CD1 3.7Å; W117-L470 HydrophobicContact CE3-CD1 3.82Å; W117-L470 HydrophobicContact CG-CD1 3.69Å; I121-L470 HydrophobicContact CD1-CD2 4.24Å; I121-L470 HydrophobicContact CG1-CD1 4.13Å; A170-L470 HydrophobicContact CB-CD2 4.29Å; E467-L470 VanDerWaalsContact O-CB 3.31Å; E467-L470 WeakPolarHBondContact O-CB 3.42Å; E467-L470 PolarHBondContact O-N 2.73Å; D468-L470 PolarHBondContact O-N 3.03Å; L470-E472 PolarHBondContact O-N 3.44Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 2.86Å; L470-L474 HydrophobicContact CB-CD1 4.18Å; L470-L474 WeakPolarHBondContact O-CD1 3.3Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.29Å; L470-L474 PolarHBondContact O-N 3.43Å
471L98.1Very high98.6Very high89 Ų8948.6 Ų48.647%0.46626%0.264SS..Hα-helixtrans-65.2-29.8-179.8-57.5178.9000111.9D468 A469 Y473D468-L471 VanDerWaalsContact O-CB 3.31Å; D468-L471 WeakPolarHBondContact O-CB 3.41Å; D468-L471 PolarHBondContact O-N 2.94Å; A469-L471 PolarHBondContact O-N 2.92Å; L471-Y473 PolarHBondContact O-N 3.3Å
472E98.6Very high98.6Very high47 Ų4749.6 Ų49.622%0.2227%0.27CS..Hα-helixtrans-66.1-24.4175-69.6-55.8143.900113.1L145 K226 G462 A469 L470L145-E472 WeakPolarHBondContact CD1-O 3.37Å; K226-E472 VanDerWaalsContact CD-O 3.23Å; K226-E472 WeakPolarHBondContact CD-O 3.3Å; K226-E472 VanDerWaalsContact CE-O 3.24Å; K226-E472 WeakPolarHBondContact CE-O 3.44Å; K226-E472 PolarHBondContact NZ-O 3.27Å; K226-E472 IonicContact NZ-OE2 3.38Å; K226-E472 PolarHBondContact NZ-OE2 3.18Å; G462-E472 WeakPolarHBondContact CA-OE1 3.38Å; A469-E472 WeakPolarHBondContact O-CB 3.42Å; A469-E472 PolarHBondContact O-N 3.08Å; L470-E472 PolarHBondContact O-N 3.44Å
473Y98.9Very high98.6Very high0 Ų056.7 Ų56.70%029%0.292CS..THydrogen-bonded Turntrans-112.58.8-173.8-69.4-74.8000113.9K164 A167 C168 N173 K226 A469 L470 L471K164-Y473 PolarHBondContact O-OH 3.02Å; A167-Y473 HydrophobicContact CB-CD2 3.97Å; A167-Y473 HydrophobicContact CB-CE2 4.06Å; C168-Y473 HydrophobicContact CB-CD1 3.63Å; C168-Y473 HydrophobicContact CB-CD2 4.42Å; C168-Y473 HydrophobicContact CB-CE1 3.45Å; C168-Y473 VanDerWaalsContact CB-CE1 3.45Å; C168-Y473 HydrophobicContact CB-CE2 4.31Å; C168-Y473 HydrophobicContact CB-CG 4.13Å; N173-Y473 PolarHBondContact ND2-O 3.33Å; K226-Y473 HydrophobicContact CD-CD1 3.38Å; K226-Y473 HydrophobicContact CD-CE1 3.37Å; K226-Y473 HydrophobicContact CD-CG 4.21Å; A469-Y473 VanDerWaalsContact O-CD2 3.27Å; A469-Y473 WeakPolarHBondContact O-CD2 3.32Å; L470-Y473 CarbonylContact O-C 3.59Å; L470-Y473 PolarHBondContact O-N 2.86Å; L471-Y473 PolarHBondContact O-N 3.3Å
474L98.8Very high98.6Very high10 Ų1057.4 Ų57.45%0.05230%0.297CS..EExtended strand (participates in β ladder)trans-122.4156.6179.2-67.8167.2000112.2I121 K142 E143 A171 K250 L470I121-L474 HydrophobicContact CD1-CD1 4.33Å; I121-L474 HydrophobicContact CG1-CD1 4.38Å; I121-L474 HydrophobicContact CG2-CD1 3.6Å; I121-L474 HydrophobicContact CG2-CD2 4.42Å; K142-L474 HydrophobicContact CB-CD1 4.38Å; K142-L474 HydrophobicContact CB-CD2 4.45Å; E143-L474 CarbonylContact O-C 3.56Å; E143-L474 WeakPolarHBondContact O-CA 3.35Å; E143-L474 WeakPolarHBondContact O-CD2 3.47Å; A171-L474 HydrophobicContact CB-CD2 3.87Å; A171-L474 HydrophobicContact CB-CG 4Å; K250-L474 PolarHBondContact NZ-O 3.38Å; L470-L474 HydrophobicContact CB-CD1 4.18Å; L470-L474 WeakPolarHBondContact O-CD1 3.3Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.29Å; L470-L474 PolarHBondContact O-N 3.43Å
475K98.3Very high98.6Very high87 Ų8760.1 Ų60.138%0.37831%0.311SS..EExtended strand (participates in β ladder)trans-118151.6162.562.9-168.5178.5-1570109.9E143 P144 L145E143-K475 HydrophobicContact CB-CG 3.93Å; E143-K475 PolarHBondContact N-O 2.97Å; E143-K475 PolarHBondContact O-N 3.45Å; P144-K475 WeakPolarHBondContact O-CE 3.25Å; P144-K475 PolarHBondContact O-NZ 2.89Å; L145-K475 HydrophobicContact CD2-CB 3.93Å; L145-K475 HydrophobicContact CD2-CG 4.5Å
476T98.6Very high98.6Very high83 Ų8363.4 Ų63.451%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-107.7123.4178.5-55.80000108.9T140 K141 K142T140-T476 HydrophobicContact CG2-CG2 3.91Å; K141-T476 WeakPolarHBondContact O-CA 3.23Å; K142-T476 PolarHBondContact NZ-OG1 2.78Å
477K98.7Very high98.6Very high96 Ų9667.1 Ų67.142%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-106.7119.2173.9178.6-178.6-68164.50109.1T140 K141 E143 V479T140-K477 CarbonylContact C-O 3.46Å; T140-K477 WeakPolarHBondContact CA-O 3.29Å; K141-K477 HydrophobicContact CB-CB 4.48Å; K141-K477 PolarHBondContact N-O 3.43Å; K141-K477 PolarHBondContact O-N 2.89Å; E143-K477 WeakPolarHBondContact OE1-CE 3.1Å; E143-K477 IonicContact OE1-NZ 3.08Å; E143-K477 PolarHBondContact OE1-NZ 3.01Å; E143-K477 WeakPolarHBondContact OE2-CE 3.21Å; E143-K477 IonicContact OE2-NZ 3.36Å; E143-K477 PolarHBondContact OE2-NZ 3.17Å; K477-V479 HydrophobicContact CG-CG2 4.38Å
478A98.6Very high98.5Very high71 Ų7164.4 Ų64.459%0.58734%0.337SS*.EExtended strand (participates in β ladder)trans-83.8134169.800000109.9T140T140-A478 HydrophobicContact CG2-CB 4.5Å
479V98.8Very high98.5Very high41 Ų4163.6 Ų63.625%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-120.3120.8174.1-177.30000107.1T138 F139 K477 V481T138-V479 WeakPolarHBondContact CA-O 3.34Å; F139-V479 HydrophobicContact CD1-CB 4.31Å; F139-V479 HydrophobicContact CD2-CB 4.46Å; F139-V479 HydrophobicContact CE1-CB 3.86Å; F139-V479 HydrophobicContact CE1-CG1 3.77Å; F139-V479 HydrophobicContact CE2-CB 4.03Å; F139-V479 HydrophobicContact CE2-CG1 4.49Å; F139-V479 HydrophobicContact CE2-CG2 4.17Å; F139-V479 HydrophobicContact CZ-CB 3.71Å; F139-V479 HydrophobicContact CZ-CG1 3.71Å; F139-V479 HydrophobicContact CZ-CG2 4.18Å; F139-V479 PolarHBondContact N-O 2.96Å; F139-V479 PolarHBondContact O-N 2.83Å; K477-V479 HydrophobicContact CG-CG2 4.38Å; V479-V481 HydrophobicContact CG1-CG2 4.27Å
480T98.6Very high98.5Very high81 Ų8168.1 Ų68.150%0.49736%0.356SS..EExtended strand (participates in β ladder)trans-118.5127.3177.3-62.80000108.7I128 L137 T138I128-T480 HydrophobicContact CD1-CG2 3.98Å; L137-T480 WeakPolarHBondContact O-CA 3.21Å; T138-T480 WeakPolarHBondContact OG1-CG2 3.46Å; T138-T480 PolarHBondContact OG1-OG1 3.2Å
481V98.7Very high98.5Very high69 Ų6973 Ų7342%0.41838%0.381SS..EExtended strand (participates in β ladder)trans-121.4130.8179.4-176.80000108.1N136 L137 V479N136-V481 CarbonylContact C-O 3.48Å; N136-V481 VanDerWaalsContact CA-O 3.25Å; N136-V481 WeakPolarHBondContact CA-O 3.22Å; L137-V481 PolarHBondContact N-O 3.05Å; L137-V481 PolarHBondContact O-N 3.36Å; V479-V481 HydrophobicContact CG1-CG2 4.27Å
482E98.4Very high98.5Very high107 Ų10771.7 Ų71.750%0.537%0.374SS..EExtended strand (participates in β ladder)trans-93.8138.4165.8-172.9171.1111.600109.5A131 N134 R135 N136A131-E482 WeakPolarHBondContact CB-OE2 3.5Å; N134-E482 HydrophobicContact CB-CG 3.83Å; N134-E482 PolarHBondContact ND2-OE1 2.87Å; R135-E482 CarbonylContact O-C 3.56Å; R135-E482 VanDerWaalsContact O-CA 3.32Å; R135-E482 WeakPolarHBondContact O-CA 3.47Å; N136-E482 WeakPolarHBondContact ND2-CB 3.27Å; N136-E482 PolarHBondContact ND2-OE2 3.5Å
483Y97.6Very high98.5Very high168 Ų16873.9 Ų73.966%0.65939%0.388SS*.  trans-150.80-178.468.4-85.8000113.2R135 L137R135-Y483 HydrophobicContact CB-CD1 4.3Å; R135-Y483 HydrophobicContact CB-CD2 4.22Å; R135-Y483 HydrophobicContact CB-CE1 3.8Å; R135-Y483 HydrophobicContact CB-CE2 3.73Å; R135-Y483 HydrophobicContact CB-CG 4.48Å; R135-Y483 VanDerWaalsContact CB-CZ 3.49Å; R135-Y483 HydrophobicContact CG-CE2 4.39Å; R135-Y483 PolarHBondContact N-O 2.88Å; R135-Y483 PolarHBondContact O-N 3.07Å; L137-Y483 HydrophobicContact CB-CD1 4.43Å; L137-Y483 HydrophobicContact CB-CE1 3.89Å

Retrieved 483 of 483 residues in 678.7 ms (Link to these results)

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