A0A077Z6P8_TRITR Loading...

CarboxypepD reg and Peptidase M14 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077Z6P8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 531 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
1M36.4Very low62.5Low239 Ų23995.1 Ų95.1100%1.17753%0.533SS*.  01130-77.7-175-10400107.4S3M1-S3 PolarHBondContact O-N 3.35Å
2A41Very low64.7Low101 Ų10196.8 Ų96.884%0.83553%0.526SS*.PPolyproline II helixtrans-64.7117.3169.800000106.8S4A2-S4 PolarHBondContact O-N 2.85Å
3S52.6Low66.4Low45 Ų4589.5 Ų89.532%0.31549%0.487SS..PPolyproline II helixtrans-51.3117.4169.257.30000106.8M1 W252M1-S3 PolarHBondContact O-N 3.35Å; S3-W252 WeakPolarHBondContact OG-CH2 3.41Å
4S55.2Low67.9Low65 Ų6593.2 Ų93.246%0.45550%0.496SS..PPolyproline II helixtrans-55.6148.5-179.450.30000109.2A2 T6 D7 F8A2-S4 PolarHBondContact O-N 2.85Å; S4-T6 WeakPolarHBondContact CB-OG1 2.95Å; S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 PolarHBondContact OG-OG1 3.06Å; S4-D7 WeakPolarHBondContact O-CB 3.32Å; S4-D7 PolarHBondContact O-N 3.46Å; S4-F8 PolarHBondContact O-N 3.4Å
5Y57.1Low69.3Low190 Ų19089.1 Ų89.175%0.74547%0.471SS*.Hα-helixtrans-50.3-24.5175.1-173.5-98.2000113N9Y5-N9 WeakPolarHBondContact CD1-ND2 3.27Å; Y5-N9 WeakPolarHBondContact CE1-ND2 3.42Å; Y5-N9 PolarHBondContact O-N 3.43Å; Y5-N9 PolarHBondContact O-ND2 3.33Å
6T61.4Low70.5Confident101 Ų10188.7 Ų88.762%0.6247%0.469SS*.Hα-helixtrans-65.6-36.6172.354.70000113.8S4 A10S4-T6 WeakPolarHBondContact CB-OG1 2.95Å; S4-T6 PolarHBondContact O-N 3.27Å; S4-T6 PolarHBondContact OG-OG1 3.06Å; T6-A10 WeakPolarHBondContact O-CB 3.14Å; T6-A10 PolarHBondContact O-N 3.39Å; T6-A10 VanDerWaalsContact O-N 3.08Å
7D70.5Confident71.4Confident53 Ų5392.4 Ų92.428%0.28349%0.489SS..Hα-helixtrans-76.5-30.1178.7-170.826.1000112.2S4 N9 R246 W252S4-D7 WeakPolarHBondContact O-CB 3.32Å; S4-D7 PolarHBondContact O-N 3.46Å; D7-N9 VanDerWaalsContact C-N 3.34Å; D7-R246 PolarHBondContact O-NH1 3.48Å; D7-R246 PolarHBondContact O-NH2 2.9Å; D7-R246 IonicContact OD1-CZ 2.66Å; D7-R246 IonicContact OD1-NH2 3.29Å; D7-R246 PolarHBondContact OD1-NH2 3.03Å; D7-R246 VanDerWaalsContact OD1-NH2 3.08Å; D7-W252 WeakPolarHBondContact OD2-CZ3 3.15Å
8F66.2Low72.3Confident107 Ų10789.4 Ų89.447%0.46947%0.47SS..Hα-helixtrans-62.9-41.4171.8-178.3-89.6000111.9S4 W252S4-F8 PolarHBondContact O-N 3.4Å; F8-W252 HydrophobicContact CB-CH2 4.44Å; F8-W252 HydrophobicContact CB-CZ2 4.24Å; F8-W252 AromaticContact CD2-CZ2 3.84Å; F8-W252 HydrophobicContact CD2-CZ2 3.84Å; F8-W252 HydrophobicContact CG-CZ2 4.47Å
9N73.4Confident73.3Confident82 Ų8292.1 Ų92.144%0.43947%0.474SS..Hα-helixtrans-89.3-9.8-177.5-68.8-59.1000114.2Y5 D7Y5-N9 WeakPolarHBondContact CD1-ND2 3.27Å; Y5-N9 WeakPolarHBondContact CE1-ND2 3.42Å; Y5-N9 PolarHBondContact O-N 3.43Å; Y5-N9 PolarHBondContact O-ND2 3.33Å; D7-N9 VanDerWaalsContact C-N 3.34Å
10A84.5Confident74.4Confident33 Ų3387.8 Ų87.827%0.27345%0.451SS..  trans-63.1137.6179.200000110.8T6 Y12 S22T6-A10 WeakPolarHBondContact O-CB 3.14Å; T6-A10 PolarHBondContact O-N 3.39Å; T6-A10 VanDerWaalsContact O-N 3.08Å; A10-Y12 VanDerWaalsContact CB-O 3.31Å; A10-Y12 WeakPolarHBondContact CB-O 3.38Å; A10-Y12 PolarHBondContact O-N 3.04Å; A10-S22 WeakPolarHBondContact O-CB 3.36Å; A10-S22 PolarHBondContact O-OG 3.31Å
11A89.1Confident75.4Confident30 Ų3084.8 Ų84.825%0.24844%0.436CS..SBendtrans-64.9-20.8174.100000112.6S22 G25A11-S22 PolarHBondContact O-N 2.92Å; A11-S22 PolarHBondContact O-OG 3.25Å; A11-G25 WeakPolarHBondContact O-CA 3.26Å
12Y89.5Confident78.3Confident115 Ų11573.6 Ų73.645%0.45138%0.381SS..EExtended strand (participates in β ladder)trans-131.7142.6179.4-60.8-89.3000110.6A10 R19 F20 L21 R246A10-Y12 VanDerWaalsContact CB-O 3.31Å; A10-Y12 WeakPolarHBondContact CB-O 3.38Å; A10-Y12 PolarHBondContact O-N 3.04Å; Y12-R19 HydrophobicContact CD1-CB 4.26Å; Y12-F20 CarbonylContact C-O 3.56Å; Y12-F20 WeakPolarHBondContact CA-O 3.36Å; Y12-L21 HydrophobicContact CD1-CD2 3.97Å; Y12-L21 HydrophobicContact CD1-CG 4.35Å; Y12-L21 HydrophobicContact CE1-CD2 3.39Å; Y12-L21 HydrophobicContact CE1-CG 3.99Å; Y12-R246 PolarHBondContact O-NH2 3.25Å
13G86.7Confident80.9Confident2 Ų270.8 Ų70.82%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-101.5163158.300000110.7F20 R246G13-F20 PolarHBondContact N-O 2.9Å; G13-F20 PolarHBondContact O-N 3.21Å; G13-R246 VanDerWaalsContact CA-NE 3.29Å
14K87.2Confident82.9Confident142 Ų14270.5 Ų70.562%0.61735%0.349SS*.EExtended strand (participates in β ladder)trans-113.6142.7171.9-71.9-174.1178.2-175.70111.2W18 Y242K14-W18 VanDerWaalsContact CA-O 3.27Å; K14-W18 WeakPolarHBondContact CA-O 3.42Å; K14-Y242 PolarHBondContact O-OH 3.43Å
15Y88.9Confident84.8Confident32 Ų3267.6 Ų67.613%0.12533%0.328CS..EExtended strand (participates in β ladder)trans-150.4128.8168.9176-101.9000108.9D17 W18 F20 K238 Y242 M271Y15-D17 PolarHBondContact O-N 2.89Å; Y15-W18 PolarHBondContact N-O 3.29Å; Y15-W18 VanDerWaalsContact N-O 3.08Å; Y15-W18 PolarHBondContact O-N 3.28Å; Y15-F20 HydrophobicContact CD1-CE2 4.41Å; Y15-K238 HydrophobicContact CE1-CB 4.01Å; Y15-K238 WeakPolarHBondContact OH-CD 3.15Å; Y15-Y242 HydrophobicContact CD1-CD1 4.32Å; Y15-Y242 HydrophobicContact CD1-CG 4.21Å; Y15-Y242 HydrophobicContact CD2-CD2 4.43Å; Y15-Y242 AromaticContact CG-CD1 3.96Å; Y15-Y242 HydrophobicContact CG-CD1 3.96Å; Y15-Y242 HydrophobicContact CG-CD2 4.27Å; Y15-Y242 HydrophobicContact CG-CE1 4.24Å; Y15-Y242 AromaticContact CG-CG 3.94Å; Y15-Y242 HydrophobicContact CG-CG 3.94Å; Y15-M271 HydrophobicContact CD2-CE 4.39Å; Y15-M271 HydrophobicContact CE1-CE 4.31Å; Y15-M271 HydrophobicContact CE2-CE 3.59Å
16N88.4Confident86.7Confident82 Ų8258.5 Ų58.544%0.43929%0.293SS..THydrogen-bonded Turntrans45.448.2-172.1-64.9-11000112.7W18N16-W18 HydrophobicContact CB-CD2 4.39Å; N16-W18 HydrophobicContact CB-CE3 4.16Å; N16-W18 HydrophobicContact CB-CH2 4.24Å; N16-W18 HydrophobicContact CB-CZ2 4.46Å; N16-W18 HydrophobicContact CB-CZ3 4.09Å; N16-W18 PolarHBondContact O-N 3.1Å; N16-W18 PolarHBondContact O-NE1 3.31Å
17D85.2Confident88.4Confident151 Ų15159.3 Ų59.381%0.80729%0.288SS*.THydrogen-bonded Turntrans63.7-5.3-176.7-59.4-49.7000117.2Y15Y15-D17 PolarHBondContact O-N 2.89Å
18W88.8Confident89.6Confident39 Ų3963.8 Ų63.815%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-84.9152.2175.8-47.6-39.5000112K14 Y15 N16 F20 M239 V373K14-W18 VanDerWaalsContact CA-O 3.27Å; K14-W18 WeakPolarHBondContact CA-O 3.42Å; Y15-W18 PolarHBondContact N-O 3.29Å; Y15-W18 VanDerWaalsContact N-O 3.08Å; Y15-W18 PolarHBondContact O-N 3.28Å; N16-W18 HydrophobicContact CB-CD2 4.39Å; N16-W18 HydrophobicContact CB-CE3 4.16Å; N16-W18 HydrophobicContact CB-CH2 4.24Å; N16-W18 HydrophobicContact CB-CZ2 4.46Å; N16-W18 HydrophobicContact CB-CZ3 4.09Å; N16-W18 PolarHBondContact O-N 3.1Å; N16-W18 PolarHBondContact O-NE1 3.31Å; W18-F20 HydrophobicContact CB-CD2 4.48Å; W18-F20 HydrophobicContact CB-CE2 3.7Å; W18-F20 HydrophobicContact CB-CZ 4.12Å; W18-F20 HydrophobicContact CE3-CE2 4.33Å; W18-F20 HydrophobicContact CE3-CZ 4.01Å; W18-M239 HydrophobicContact CE3-CB 4.31Å; W18-M239 HydrophobicContact CE3-CG 4.3Å; W18-M239 HydrophobicContact CZ3-CB 3.94Å; W18-M239 HydrophobicContact CZ3-CG 4.37Å; W18-V373 HydrophobicContact CH2-CB 3.39Å; W18-V373 HydrophobicContact CH2-CG1 3.42Å; W18-V373 VanDerWaalsContact CH2-CG1 3.42Å; W18-V373 HydrophobicContact CH2-CG2 3.76Å; W18-V373 HydrophobicContact CZ2-CB 3.52Å; W18-V373 HydrophobicContact CZ2-CG1 4.1Å; W18-V373 HydrophobicContact CZ2-CG2 3.76Å; W18-V373 HydrophobicContact CZ3-CB 4.14Å; W18-V373 HydrophobicContact CZ3-CG1 3.82Å
19R91.5Very high91.1Very high141 Ų14162.6 Ų62.653%0.53230%0.304SS..EExtended strand (participates in β ladder)trans-100.6128.5179.7-67.2-175.1-178.9-162.20.9111Y12 H398Y12-R19 HydrophobicContact CD1-CB 4.26Å; R19-H398 PolarHBondContact O-CE1 2.86Å; R19-H398 PolarHBondContact O-NE2 3.23Å
20F94.6Very high92.2Very high6 Ų659 Ų593%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-121.6138.7177.8-62.1-93.3000109.6Y12 G13 Y15 W18 S22 M239 Y242 A243 R246Y12-F20 CarbonylContact C-O 3.56Å; Y12-F20 WeakPolarHBondContact CA-O 3.36Å; G13-F20 PolarHBondContact N-O 2.9Å; G13-F20 PolarHBondContact O-N 3.21Å; Y15-F20 HydrophobicContact CD1-CE2 4.41Å; W18-F20 HydrophobicContact CB-CD2 4.48Å; W18-F20 HydrophobicContact CB-CE2 3.7Å; W18-F20 HydrophobicContact CB-CZ 4.12Å; W18-F20 HydrophobicContact CE3-CE2 4.33Å; W18-F20 HydrophobicContact CE3-CZ 4.01Å; F20-S22 PolarHBondContact O-N 3.43Å; F20-M239 HydrophobicContact CE1-CG 3.81Å; F20-M239 WeakPolarHBondContact CE1-O 3.26Å; F20-M239 HydrophobicContact CZ-CB 4.46Å; F20-M239 HydrophobicContact CZ-CG 3.84Å; F20-Y242 HydrophobicContact CB-CD1 4.15Å; F20-Y242 HydrophobicContact CB-CE1 4.04Å; F20-Y242 HydrophobicContact CD1-CD1 4.08Å; F20-Y242 AromaticContact CD2-CD1 3.42Å; F20-Y242 HydrophobicContact CD2-CD1 3.42Å; F20-Y242 VanDerWaalsContact CD2-CD1 3.42Å; F20-Y242 AromaticContact CD2-CE1 3.53Å; F20-Y242 HydrophobicContact CD2-CE1 3.53Å; F20-Y242 HydrophobicContact CE1-CD1 4.31Å; F20-Y242 AromaticContact CE2-CD1 3.67Å; F20-Y242 HydrophobicContact CE2-CD1 3.67Å; F20-Y242 HydrophobicContact CE2-CE1 4.12Å; F20-Y242 AromaticContact CG-CD1 3.61Å; F20-Y242 HydrophobicContact CG-CD1 3.61Å; F20-Y242 AromaticContact CG-CE1 3.87Å; F20-Y242 HydrophobicContact CG-CE1 3.87Å; F20-Y242 HydrophobicContact CZ-CD1 4.1Å; F20-A243 HydrophobicContact CD1-CB 3.79Å; F20-A243 HydrophobicContact CE1-CB 3.96Å; F20-R246 HydrophobicContact CB-CB 4.31Å; F20-R246 HydrophobicContact CB-CG 4.05Å
21L95.6Very high92.8Very high25 Ų2558.6 Ų58.613%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-66.6130.5175.9-71.9159.5000109.8Y12 A26 M29 L325Y12-L21 HydrophobicContact CD1-CD2 3.97Å; Y12-L21 HydrophobicContact CD1-CG 4.35Å; Y12-L21 HydrophobicContact CE1-CD2 3.39Å; Y12-L21 HydrophobicContact CE1-CG 3.99Å; L21-A26 HydrophobicContact CB-CB 4.31Å; L21-M29 HydrophobicContact CD1-CE 3.27Å; L21-M29 HydrophobicContact CD1-SD 3.48Å; L21-M29 WeakPolarHBondContact CD1-SD 3.33Å; L21-L325 HydrophobicContact CB-CD1 3.8Å; L21-L325 HydrophobicContact CD1-CD1 4.18Å; L21-L325 HydrophobicContact CD1-CD2 3.69Å
22S96.2Very high93.2Very high3 Ų364.6 Ų64.62%0.02131%0.312CS..  trans-72.9174166.469.90000110.4A10 A11 F20 S24 G25 A26 R246A10-S22 WeakPolarHBondContact O-CB 3.36Å; A10-S22 PolarHBondContact O-OG 3.31Å; A11-S22 PolarHBondContact O-N 2.92Å; A11-S22 PolarHBondContact O-OG 3.25Å; F20-S22 PolarHBondContact O-N 3.43Å; S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 PolarHBondContact OG-N 3.45Å; S22-S24 PolarHBondContact OG-OG 3.07Å; S22-G25 PolarHBondContact O-N 2.85Å; S22-G25 PolarHBondContact OG-N 2.81Å; S22-G25 VanDerWaalsContact OG-N 3.12Å; S22-A26 VanDerWaalsContact O-CB 3.23Å; S22-A26 WeakPolarHBondContact O-CB 3.18Å; S22-A26 PolarHBondContact O-N 3.25Å; S22-R246 WeakPolarHBondContact CA-O 3.3Å
23H95.5Very high93.6Very high43 Ų4360 Ų6020%0.19930%0.295CS..Hα-helixtrans-52.2-45.1171.3-168.189.8000113.1K27 R246 A247 N317 Y321H23-K27 WeakPolarHBondContact O-CB 2.91Å; H23-K27 PolarHBondContact O-N 2.78Å; H23-R246 PolarHBondContact N-O 2.91Å; H23-A247 WeakPolarHBondContact CA-O 3.39Å; H23-A247 VanDerWaalsContact CB-O 3.31Å; H23-A247 WeakPolarHBondContact CB-O 3.45Å; H23-A247 PolarHBondContact ND1-O 2.75Å; H23-N317 PolarHBondContact CE1-O 3.16Å; H23-N317 VanDerWaalsContact CE1-O 3.24Å; H23-Y321 AromaticContact CE1-CD2 3.57Å; H23-Y321 AromaticContact ND1-CD2 3.99Å; H23-Y321 AromaticContact NE2-CD2 3.69Å; H23-Y321 AromaticContact NE2-CE2 3.87Å
24S94.8Very high94.1Very high39 Ų3965.3 Ų65.327%0.27332%0.317SS..Hα-helixtrans-70.8-40.618060.80000112.2S22 K27 Q28S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 PolarHBondContact OG-N 3.45Å; S22-S24 PolarHBondContact OG-OG 3.07Å; S24-K27 PolarHBondContact O-N 2.63Å; S24-Q28 WeakPolarHBondContact O-CG 3.48Å; S24-Q28 PolarHBondContact O-N 3.06Å
25G96.2Very high94.6Very high3 Ų361.3 Ų61.33%0.03130%0.301CS..Hα-helixtrans-64.6-41.8175.200000112.3A11 S22 Q28 M29A11-G25 WeakPolarHBondContact O-CA 3.26Å; S22-G25 PolarHBondContact O-N 2.85Å; S22-G25 PolarHBondContact OG-N 2.81Å; S22-G25 VanDerWaalsContact OG-N 3.12Å; G25-Q28 PolarHBondContact O-N 3.29Å; G25-M29 WeakPolarHBondContact O-CB 3.21Å; G25-M29 PolarHBondContact O-N 3.35Å
26A97.2Very high95Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-61.3-45.4175.400000111.2L21 S22 Q28 M29 I30 Y321 L325L21-A26 HydrophobicContact CB-CB 4.31Å; S22-A26 VanDerWaalsContact O-CB 3.23Å; S22-A26 WeakPolarHBondContact O-CB 3.18Å; S22-A26 PolarHBondContact O-N 3.25Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 3.42Å; A26-M29 PolarHBondContact O-N 2.61Å; A26-I30 HydrophobicContact CB-CD1 4.42Å; A26-I30 VanDerWaalsContact O-CB 3.27Å; A26-I30 WeakPolarHBondContact O-CB 3.39Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.41Å; A26-I30 PolarHBondContact O-N 2.7Å; A26-Y321 HydrophobicContact CB-CG 4.13Å; A26-L325 HydrophobicContact CB-CD1 3.5Å; A26-L325 HydrophobicContact CB-CG 4.33Å
27K96.8Very high95.3Very high118 Ų11862.3 Ų62.351%0.51331%0.313SS..Hα-helixtrans-57.8-43.8174.5177.6169-177.5-177.20112.6H23 S24 G31 Y321H23-K27 WeakPolarHBondContact O-CB 2.91Å; H23-K27 PolarHBondContact O-N 2.78Å; S24-K27 PolarHBondContact O-N 2.63Å; K27-G31 WeakPolarHBondContact O-CA 3.23Å; K27-G31 PolarHBondContact O-N 2.03Å; K27-Y321 HydrophobicContact CB-CD2 4.3Å; K27-Y321 HydrophobicContact CB-CE1 4.39Å; K27-Y321 HydrophobicContact CB-CE2 3.64Å; K27-Y321 HydrophobicContact CD-CE2 4.29Å; K27-Y321 HydrophobicContact CG-CE2 4.09Å; K27-Y321 WeakPolarHBondContact CG-OH 3.21Å
28Q96.1Very high95.7Very high146 Ų14658 Ų5868%0.68229%0.29SS*.Hα-helixtrans-65.8-44.5177.6-72.9173.9200111.9S24 G25 A26S24-Q28 WeakPolarHBondContact O-CG 3.48Å; S24-Q28 PolarHBondContact O-N 3.06Å; G25-Q28 PolarHBondContact O-N 3.29Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 3.42Å
29M96.5Very high96.1Very high83 Ų8357.9 Ų57.941%0.40929%0.29SS..Hα-helixtrans-71-43.4-177.8-174.8-170.468.500112.8L21 G25 A26 G31 Y126 L325L21-M29 HydrophobicContact CD1-CE 3.27Å; L21-M29 HydrophobicContact CD1-SD 3.48Å; L21-M29 WeakPolarHBondContact CD1-SD 3.33Å; G25-M29 WeakPolarHBondContact O-CB 3.21Å; G25-M29 PolarHBondContact O-N 3.35Å; A26-M29 PolarHBondContact O-N 2.61Å; M29-G31 VanDerWaalsContact C-N 3.33Å; M29-Y126 HydrophobicContact CE-CD2 3.79Å; M29-Y126 HydrophobicContact CE-CE2 3.29Å; M29-Y126 HydrophobicContact SD-CE2 4.46Å; M29-L325 HydrophobicContact CE-CD2 3.69Å
30I97.9Very high96.4Very high5 Ų554.5 Ų54.53%0.02628%0.278CS..Hα-helixtrans-74.8-30.2-178.9-66.6167.7000110.4A26 L33 N124 Y126 Y321 L324A26-I30 HydrophobicContact CB-CD1 4.42Å; A26-I30 VanDerWaalsContact O-CB 3.27Å; A26-I30 WeakPolarHBondContact O-CB 3.39Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.41Å; A26-I30 PolarHBondContact O-N 2.7Å; I30-L33 HydrophobicContact CG2-CD1 3.92Å; I30-L33 HydrophobicContact CG2-CD2 3.92Å; I30-L33 HydrophobicContact CG2-CG 4.02Å; I30-N124 PolarHBondContact O-ND2 2.95Å; I30-Y126 HydrophobicContact CB-CD1 4.5Å; I30-Y126 HydrophobicContact CB-CG 4.41Å; I30-Y126 HydrophobicContact CD1-CD1 4.35Å; I30-Y126 HydrophobicContact CD1-CE1 4.13Å; I30-Y126 HydrophobicContact CG1-CD1 3.77Å; I30-Y126 HydrophobicContact CG1-CD2 4.03Å; I30-Y126 HydrophobicContact CG1-CE1 3.95Å; I30-Y126 HydrophobicContact CG1-CE2 4.25Å; I30-Y126 HydrophobicContact CG1-CG 3.82Å; I30-Y126 HydrophobicContact CG2-CD1 4.24Å; I30-Y126 HydrophobicContact CG2-CG 4.45Å; I30-Y321 HydrophobicContact CB-CD1 4.45Å; I30-Y321 HydrophobicContact CB-CE1 4.29Å; I30-Y321 HydrophobicContact CD1-CD1 3.59Å; I30-Y321 HydrophobicContact CD1-CE1 4.28Å; I30-Y321 HydrophobicContact CG2-CE1 4.3Å; I30-L324 HydrophobicContact CD1-CB 4.11Å; I30-L324 HydrophobicContact CD1-CD1 4.09Å; I30-L324 HydrophobicContact CG2-CD1 4.24Å
31G96.7Very high96.6Very high25 Ų2555.1 Ų55.126%0.25828%0.281SS..  trans73.2-158.1179.300000113.1K27 M29K27-G31 WeakPolarHBondContact O-CA 3.23Å; K27-G31 PolarHBondContact O-N 2.03Å; M29-G31 VanDerWaalsContact C-N 3.33Å
32N96.6Very high96.7Very high156 Ų15653.9 Ų53.983%0.83427%0.274SS*.  trans-73.9134.8-176.6-68-30.8000111N124N32-N124 PolarHBondContact O-ND2 2.61Å
33L97.8Very high96.8Very high18 Ų1857.6 Ų57.69%0.09429%0.291CS..  trans-122.3136.5176-62.8169.6000108.8I30 Q35 V116 N120 N124 I127 Y321 L324I30-L33 HydrophobicContact CG2-CD1 3.92Å; I30-L33 HydrophobicContact CG2-CD2 3.92Å; I30-L33 HydrophobicContact CG2-CG 4.02Å; L33-Q35 PolarHBondContact O-N 3.11Å; L33-Q35 PolarHBondContact O-NE2 2.84Å; L33-V116 HydrophobicContact CD1-CG1 4.18Å; L33-V116 HydrophobicContact CD2-CG1 4.24Å; L33-N120 WeakPolarHBondContact CA-OD1 3.33Å; L33-N120 HydrophobicContact CD2-CB 4.4Å; L33-N124 HydrophobicContact CD2-CB 4.4Å; L33-I127 HydrophobicContact CD2-CD1 4.03Å; L33-I127 HydrophobicContact CD2-CG1 3.6Å; L33-Y321 HydrophobicContact CD1-CE1 4.21Å; L33-L324 HydrophobicContact CD1-CD1 3.97Å
34K98.1Very high97Very high115 Ų11557.1 Ų57.150%0.529%0.288SS..PPolyproline II helixtrans-58.8118.7157.7-62.4178.3-169.6162.10107.4E119 N120K34-E119 HydrophobicContact CD-CB 4.32Å; K34-E119 WeakPolarHBondContact CD-O 3.44Å; K34-E119 PolarHBondContact NZ-O 3.1Å; K34-N120 PolarHBondContact N-OD1 3.48Å; K34-N120 PolarHBondContact O-ND2 3.28Å; K34-N120 VanDerWaalsContact O-ND2 3.1Å
35Q97.3Very high97.2Very high58 Ų5858.7 Ų58.727%0.27130%0.297SS..PPolyproline II helixtrans-93.1152.8-175.8-59.7-65.4-41.200110.3L33 K320L33-Q35 PolarHBondContact O-N 3.11Å; L33-Q35 PolarHBondContact O-NE2 2.84Å; Q35-K320 VanDerWaalsContact CD-NZ 3.33Å
36P96.8Very high97.3Very high3 Ų360 Ų602%0.01930%0.303CS..PPolyproline II helixtrans-54.2143.5161.7-16.827.9000110.8F39 Y112 V116 W316P36-F39 HydrophobicContact CB-CE1 4.16Å; P36-F39 HydrophobicContact CB-CE2 4.45Å; P36-F39 HydrophobicContact CB-CZ 3.89Å; P36-F39 HydrophobicContact CG-CZ 4.42Å; P36-F39 WeakPolarHBondContact O-CE2 3.5Å; P36-F39 WeakPolarHBondContact O-CZ 3.38Å; P36-Y112 HydrophobicContact CB-CD1 3.86Å; P36-Y112 HydrophobicContact CB-CG 4.24Å; P36-Y112 HydrophobicContact CG-CD1 4.07Å; P36-Y112 HydrophobicContact CG-CG 3.99Å; P36-V116 HydrophobicContact CG-CG2 4.3Å; P36-W316 HydrophobicContact CG-CZ2 4.39Å
37V93.9Very high97.3Very high131 Ų13160.2 Ų60.279%0.79430%0.304SS*.  trans-114.8-26176.2-63.80000112.5F39V37-F39 PolarHBondContact O-N 2.88Å
38D94.9Very high97.4Very high62 Ų6256.7 Ų56.733%0.33229%0.292SS..  trans-92.496.6177-175.215.9000109.7R40 H42 Y112D38-R40 VanDerWaalsContact OD1-CD 3.22Å; D38-R40 WeakPolarHBondContact OD1-CD 3.21Å; D38-R40 WeakPolarHBondContact OD1-CG 3.47Å; D38-R40 IonicContact OD1-NE 3.47Å; D38-R40 PolarHBondContact OD1-NE 3.19Å; D38-R40 IonicContact OD2-CZ 3.74Å; D38-R40 IonicContact OD2-NE 2.68Å; D38-R40 PolarHBondContact OD2-NE 2.81Å; D38-R40 IonicContact OD2-NH2 3.81Å; D38-H42 IonicContact OD2-NE2 2.76Å; D38-Y112 VanDerWaalsContact O-CE1 3.31Å; D38-Y112 WeakPolarHBondContact O-CE1 3.41Å
39F97.8Very high97.6Very high35 Ų3557 Ų5715%0.15429%0.288CS..  trans-10396.2176-67.6-80.2000110.3P36 V37 Y112 L312 Q313 W316P36-F39 HydrophobicContact CB-CE1 4.16Å; P36-F39 HydrophobicContact CB-CE2 4.45Å; P36-F39 HydrophobicContact CB-CZ 3.89Å; P36-F39 HydrophobicContact CG-CZ 4.42Å; P36-F39 WeakPolarHBondContact O-CE2 3.5Å; P36-F39 WeakPolarHBondContact O-CZ 3.38Å; V37-F39 PolarHBondContact O-N 2.88Å; F39-Y112 WeakPolarHBondContact CA-OH 3.4Å; F39-Y112 HydrophobicContact CD1-CD2 4.28Å; F39-Y112 HydrophobicContact CD1-CE1 4.17Å; F39-Y112 AromaticContact CD1-CE2 3.7Å; F39-Y112 HydrophobicContact CD1-CE2 3.7Å; F39-Y112 AromaticContact CD1-CZ 3.65Å; F39-Y112 HydrophobicContact CE1-CD2 4.12Å; F39-Y112 HydrophobicContact CE1-CE2 4.01Å; F39-Y112 HydrophobicContact CE1-CG 4.48Å; F39-L312 HydrophobicContact CB-CB 4.3Å; F39-L312 HydrophobicContact CD1-CB 4.3Å; F39-Q313 HydrophobicContact CB-CB 4.47Å; F39-Q313 HydrophobicContact CD1-CB 3.95Å; F39-Q313 HydrophobicContact CD2-CB 3.76Å; F39-Q313 HydrophobicContact CD2-CG 3.94Å; F39-Q313 HydrophobicContact CE1-CB 4.1Å; F39-Q313 HydrophobicContact CE1-CG 4.26Å; F39-Q313 HydrophobicContact CE2-CB 3.9Å; F39-Q313 HydrophobicContact CE2-CG 3.58Å; F39-Q313 HydrophobicContact CG-CB 3.78Å; F39-Q313 HydrophobicContact CG-CG 4.41Å; F39-Q313 HydrophobicContact CZ-CB 4.07Å; F39-Q313 HydrophobicContact CZ-CG 3.77Å; F39-W316 HydrophobicContact CE1-CB 3.81Å; F39-W316 AromaticContact CE1-CD1 3.81Å; F39-W316 AromaticContact CE1-CG 3.91Å; F39-W316 HydrophobicContact CE1-CG 3.91Å; F39-W316 AromaticContact CZ-CD1 3.85Å; F39-W316 HydrophobicContact CZ-CG 4.4Å
40R97.6Very high97.7Very high71 Ų7154.5 Ų54.527%0.26827%0.273SS..SBendtrans-149.4169.217966-177.717987.1-1.4110.5D38 H42 D46 E108 Y112D38-R40 VanDerWaalsContact OD1-CD 3.22Å; D38-R40 WeakPolarHBondContact OD1-CD 3.21Å; D38-R40 WeakPolarHBondContact OD1-CG 3.47Å; D38-R40 IonicContact OD1-NE 3.47Å; D38-R40 PolarHBondContact OD1-NE 3.19Å; D38-R40 IonicContact OD2-CZ 3.74Å; D38-R40 IonicContact OD2-NE 2.68Å; D38-R40 PolarHBondContact OD2-NE 2.81Å; D38-R40 IonicContact OD2-NH2 3.81Å; R40-H42 VanDerWaalsContact CZ-CD2 3.46Å; R40-H42 PolarHBondContact NH2-CD2 3.42Å; R40-H42 PolarHBondContact NH2-NE2 3.38Å; R40-H42 PolarHBondContact O-ND1 3.5Å; R40-D46 IonicContact CZ-OD2 3.47Å; R40-D46 IonicContact NH1-OD2 3Å; R40-D46 PolarHBondContact NH1-OD2 2.94Å; R40-D46 IonicContact NH2-OD2 2.74Å; R40-E108 VanDerWaalsContact O-OE2 3.09Å; R40-Y112 PolarHBondContact N-OH 2.86Å; R40-Y112 PolarHBondContact O-OH 3.04Å
41H98.4Very high97.7Very high18 Ų1854.2 Ų54.28%0.08327%0.272CS..  trans-78.9121.7170.6-66.5-57.8000110H43 V104 Y147 E152 Y306 P307 A309H41-H43 PolarHBondContact O-N 2.82Å; H41-V104 WeakPolarHBondContact ND1-CG1 3.03Å; H41-Y147 WeakPolarHBondContact CB-OH 3.41Å; H41-E152 IonicContact CD2-OE1 3.76Å; H41-E152 PolarHBondContact CD2-OE1 3.5Å; H41-E152 IonicContact NE2-OE1 3.88Å; H41-E152 PolarHBondContact NE2-OE1 3.09Å; H41-Y306 AromaticContact CD2-CE1 3.65Å; H41-Y306 AromaticContact CE1-CD1 3.87Å; H41-Y306 AromaticContact CE1-CE1 3.48Å; H41-Y306 VanDerWaalsContact CE1-CE1 3.48Å; H41-Y306 WeakPolarHBondContact CE1-CE1 3.49Å; H41-Y306 AromaticContact CG-CE1 3.73Å; H41-Y306 AromaticContact ND1-CE1 3.65Å; H41-Y306 AromaticContact NE2-CD1 3.95Å; H41-Y306 AromaticContact NE2-CE1 3.48Å; H41-Y306 WeakPolarHBondContact NE2-CE1 3.34Å; H41-P307 PolarHBondContact CE1-O 3.42Å; H41-P307 PolarHBondContact NE2-O 3.3Å; H41-A309 PolarHBondContact NE2-N 2.94Å
42H98.3Very high97.8Very high0 Ų055.5 Ų55.50%028%0.277CS..  trans-93.694.2-179-7082000109.9D38 R40 D46 W50 R107 E108 L111 Y147D38-H42 IonicContact OD2-NE2 2.76Å; R40-H42 VanDerWaalsContact CZ-CD2 3.46Å; R40-H42 PolarHBondContact NH2-CD2 3.42Å; R40-H42 PolarHBondContact NH2-NE2 3.38Å; R40-H42 PolarHBondContact O-ND1 3.5Å; H42-D46 HydrophobicContact CB-CB 4.26Å; H42-W50 AromaticContact CD2-CE3 3.95Å; H42-W50 AromaticContact NE2-CE3 3.31Å; H42-W50 VanDerWaalsContact NE2-CE3 3.31Å; H42-W50 AromaticContact NE2-CZ3 3.51Å; H42-R107 VanDerWaalsContact O-CZ 3.24Å; H42-R107 PolarHBondContact O-NE 3.23Å; H42-R107 VanDerWaalsContact O-NE 3.11Å; H42-R107 PolarHBondContact O-NH2 3.15Å; H42-E108 IonicContact CE1-OE2 2.75Å; H42-E108 IonicContact CG-OE2 3.71Å; H42-E108 PolarHBondContact N-OE1 3.08Å; H42-E108 PolarHBondContact N-OE2 3.21Å; H42-E108 IonicContact ND1-OE2 3.72Å; H42-E108 PolarHBondContact ND1-OE2 2.95Å; H42-L111 HydrophobicContact CB-CD1 3.59Å; H42-Y147 PolarHBondContact N-OH 3.47Å; H42-Y147 PolarHBondContact O-OH 3.42Å
43H98.3Very high97.9Very high80 Ų8053.1 Ų53.137%0.3726%0.259SS..  trans-56.5159.3167.9-75.7-87.4000111.7H41 P45 D46 L47 Y147 E148H41-H43 PolarHBondContact O-N 2.82Å; H43-P45 VanDerWaalsContact C-CD 3.48Å; H43-P45 VanDerWaalsContact C-N 3.34Å; H43-P45 VanDerWaalsContact O-N 3.14Å; H43-D46 CarbonylContact O-C 3.55Å; H43-D46 WeakPolarHBondContact O-CA 3.4Å; H43-D46 WeakPolarHBondContact O-CB 3.42Å; H43-D46 PolarHBondContact O-N 3.37Å; H43-L47 PolarHBondContact O-N 2.88Å; H43-Y147 AromaticContact ND1-CE1 3.87Å; H43-E148 IonicContact CE1-OE2 3.98Å; H43-E148 IonicContact CG-OE2 2.84Å; H43-E148 IonicContact ND1-OE1 2.83Å; H43-E148 IonicContact ND1-OE2 3.79Å; H43-E148 PolarHBondContact ND1-OE2 2.92Å
44Y98.7Very high97.9Very high34 Ų3452.6 Ų52.613%0.13326%0.256CS..Hα-helixtrans-51.1-43.4-168.8-178.5-98.6000114D46 L47 V48 R74 E75 P144 E148Y44-D46 VanDerWaalsContact C-N 3.29Å; Y44-D46 PolarHBondContact O-N 3.24Å; Y44-L47 PolarHBondContact O-N 2.81Å; Y44-V48 HydrophobicContact CD1-CG2 4.18Å; Y44-V48 HydrophobicContact CE1-CG2 3.68Å; Y44-V48 HydrophobicContact CE2-CG2 4.1Å; Y44-V48 VanDerWaalsContact O-CG2 3.28Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 2.78Å; Y44-R74 HydrophobicContact CD1-CB 4.32Å; Y44-R74 HydrophobicContact CD1-CG 3.92Å; Y44-R74 HydrophobicContact CD2-CB 4.12Å; Y44-R74 HydrophobicContact CD2-CG 4.32Å; Y44-R74 HydrophobicContact CE1-CB 3.9Å; Y44-R74 HydrophobicContact CE1-CG 3.87Å; Y44-R74 HydrophobicContact CE2-CB 3.67Å; Y44-R74 HydrophobicContact CE2-CG 4.28Å; Y44-R74 HydrophobicContact CG-CB 4.43Å; Y44-R74 HydrophobicContact CG-CG 4.16Å; Y44-E75 WeakPolarHBondContact CE2-O 3.3Å; Y44-E75 WeakPolarHBondContact OH-CB 3.09Å; Y44-E75 PolarHBondContact OH-N 2.86Å; Y44-E75 PolarHBondContact OH-O 3Å; Y44-P144 HydrophobicContact CD2-CB 3.77Å; Y44-P144 HydrophobicContact CE2-CB 4.22Å; Y44-E148 VanDerWaalsContact CB-OE1 3.24Å; Y44-E148 WeakPolarHBondContact CB-OE1 3.5Å; Y44-E148 PolarHBondContact N-OE1 3.08Å
45P98.6Very high97.9Very high71 Ų7147.8 Ų47.846%0.46124%0.238SC..Hα-helixtrans-60.5-35.3174-24.435.8000114.2H43 R49H43-P45 VanDerWaalsContact C-CD 3.48Å; H43-P45 VanDerWaalsContact C-N 3.34Å; H43-P45 VanDerWaalsContact O-N 3.14Å; P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 2.83Å; P45-R49 VanDerWaalsContact O-N 3.13Å
46D98.4Very high98Very high31 Ų3148.8 Ų48.817%0.16625%0.252CS..Hα-helixtrans-74.8-38.3176.4-64.5-30.8000111.5R40 H42 H43 Y44 V48 R49 W50R40-D46 IonicContact CZ-OD2 3.47Å; R40-D46 IonicContact NH1-OD2 3Å; R40-D46 PolarHBondContact NH1-OD2 2.94Å; R40-D46 IonicContact NH2-OD2 2.74Å; H42-D46 HydrophobicContact CB-CB 4.26Å; H43-D46 CarbonylContact O-C 3.55Å; H43-D46 WeakPolarHBondContact O-CA 3.4Å; H43-D46 WeakPolarHBondContact O-CB 3.42Å; H43-D46 PolarHBondContact O-N 3.37Å; Y44-D46 VanDerWaalsContact C-N 3.29Å; Y44-D46 PolarHBondContact O-N 3.24Å; D46-V48 VanDerWaalsContact C-N 3.32Å; D46-V48 PolarHBondContact O-N 2.88Å; D46-R49 PolarHBondContact O-N 3.15Å; D46-R49 IonicContact OD1-CZ 3.77Å; D46-R49 IonicContact OD1-NH1 2.71Å; D46-R49 PolarHBondContact OD1-NH1 3.38Å; D46-R49 IonicContact OD1-NH2 3.8Å; D46-R49 PolarHBondContact OD1-NH2 2.88Å; D46-W50 WeakPolarHBondContact O-CB 3.2Å; D46-W50 PolarHBondContact O-N 2.95Å
47L98.7Very high98Very high4 Ų451.9 Ų51.92%0.02127%0.27CS..Hα-helixtrans-57.4-47.2171.9178.2156000110.3H43 Y44 R49 W50 M51 L77 R107 L111 P140H43-L47 PolarHBondContact O-N 2.88Å; Y44-L47 PolarHBondContact O-N 2.81Å; L47-R49 VanDerWaalsContact C-N 3.34Å; L47-R49 PolarHBondContact O-N 3.06Å; L47-W50 PolarHBondContact O-N 2.92Å; L47-M51 HydrophobicContact CD2-CG 4.01Å; L47-M51 HydrophobicContact CG-CG 4.37Å; L47-M51 WeakPolarHBondContact O-CB 3.13Å; L47-M51 WeakPolarHBondContact O-CG 3.33Å; L47-M51 PolarHBondContact O-N 2.85Å; L47-L77 HydrophobicContact CD2-CD1 4.14Å; L47-R107 HydrophobicContact CD1-CG 4.39Å; L47-L111 HydrophobicContact CG-CD2 4.33Å; L47-P140 HydrophobicContact CD1-CB 4.18Å
48V98.8Very high98.2Very high44 Ų4448 Ų4827%0.26724%0.242SC..Hα-helixtrans-60-44.6177.3174.20000111Y44 D46 S52 L77Y44-V48 HydrophobicContact CD1-CG2 4.18Å; Y44-V48 HydrophobicContact CE1-CG2 3.68Å; Y44-V48 HydrophobicContact CE2-CG2 4.1Å; Y44-V48 VanDerWaalsContact O-CG2 3.28Å; Y44-V48 WeakPolarHBondContact O-CG2 3.48Å; Y44-V48 PolarHBondContact O-N 2.78Å; D46-V48 VanDerWaalsContact C-N 3.32Å; D46-V48 PolarHBondContact O-N 2.88Å; V48-S52 VanDerWaalsContact O-CB 3.29Å; V48-S52 WeakPolarHBondContact O-CB 3.37Å; V48-S52 PolarHBondContact O-N 3.25Å; V48-S52 PolarHBondContact O-OG 3.4Å; V48-L77 HydrophobicContact CB-CD1 4.32Å; V48-L77 HydrophobicContact CG1-CD1 4.44Å; V48-L77 HydrophobicContact CG2-CD1 3.81Å
49R98.6Very high98.3Very high154 Ų15448.4 Ų48.458%0.58125%0.25SC*.Hα-helixtrans-63.5-44.4177.5-79.7-173.9-102.6123.43.8112.1P45 D46 L47 S52 F53P45-R49 WeakPolarHBondContact O-CG 3.44Å; P45-R49 PolarHBondContact O-N 2.83Å; P45-R49 VanDerWaalsContact O-N 3.13Å; D46-R49 PolarHBondContact O-N 3.15Å; D46-R49 IonicContact OD1-CZ 3.77Å; D46-R49 IonicContact OD1-NH1 2.71Å; D46-R49 PolarHBondContact OD1-NH1 3.38Å; D46-R49 IonicContact OD1-NH2 3.8Å; D46-R49 PolarHBondContact OD1-NH2 2.88Å; L47-R49 VanDerWaalsContact C-N 3.34Å; L47-R49 PolarHBondContact O-N 3.06Å; R49-S52 PolarHBondContact O-N 2.99Å; R49-F53 WeakPolarHBondContact O-CB 3.4Å; R49-F53 PolarHBondContact O-N 2.96Å
50W98.4Very high98.2Very high29 Ų2951.8 Ų51.811%0.1127%0.266CS..Hα-helixtrans-59.5-52.2176.9-173.4-82000111.6H42 D46 L47 S52 F53 Y54 L111 Q115H42-W50 AromaticContact CD2-CE3 3.95Å; H42-W50 AromaticContact NE2-CE3 3.31Å; H42-W50 VanDerWaalsContact NE2-CE3 3.31Å; H42-W50 AromaticContact NE2-CZ3 3.51Å; D46-W50 WeakPolarHBondContact O-CB 3.2Å; D46-W50 PolarHBondContact O-N 2.95Å; L47-W50 PolarHBondContact O-N 2.92Å; W50-S52 VanDerWaalsContact C-N 3.33Å; W50-S52 PolarHBondContact O-N 3.07Å; W50-F53 PolarHBondContact O-N 3.47Å; W50-Y54 AromaticContact CD1-CD2 3.74Å; W50-Y54 AromaticContact CD1-CE2 3.97Å; W50-Y54 HydrophobicContact CD2-CD2 4.4Å; W50-Y54 AromaticContact CD2-CE2 3.93Å; W50-Y54 HydrophobicContact CD2-CE2 3.93Å; W50-Y54 AromaticContact CE2-CE2 3.4Å; W50-Y54 VanDerWaalsContact CE2-CE2 3.4Å; W50-Y54 HydrophobicContact CG-CD2 4.27Å; W50-Y54 HydrophobicContact CG-CE2 4.28Å; W50-Y54 HydrophobicContact CH2-CE2 4.41Å; W50-Y54 AromaticContact CZ2-CE2 3.69Å; W50-Y54 HydrophobicContact CZ2-CE2 3.69Å; W50-Y54 AromaticContact NE1-CD2 3.55Å; W50-Y54 AromaticContact NE1-CE2 3.42Å; W50-Y54 WeakPolarHBondContact O-CD2 3.44Å; W50-Y54 PolarHBondContact O-N 2.91Å; W50-Y54 VanDerWaalsContact O-N 3.13Å; W50-L111 HydrophobicContact CG-CD2 4.21Å; W50-L111 PolarHBondContact NE1-O 2.83Å; W50-Q115 VanDerWaalsContact CH2-OE1 3.3Å; W50-Q115 HydrophobicContact CZ2-CB 3.9Å
51M98.6Very high98.2Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-61.8-41.7-179.4-65.1-70.3-84.100111.5L47 A55 L64 L77 L79 L111 I114 P140L47-M51 HydrophobicContact CD2-CG 4.01Å; L47-M51 HydrophobicContact CG-CG 4.37Å; L47-M51 WeakPolarHBondContact O-CB 3.13Å; L47-M51 WeakPolarHBondContact O-CG 3.33Å; L47-M51 PolarHBondContact O-N 2.85Å; M51-A55 VanDerWaalsContact O-CB 3.29Å; M51-A55 WeakPolarHBondContact O-CB 3Å; M51-A55 PolarHBondContact O-N 2.93Å; M51-L64 HydrophobicContact CB-CD1 3.82Å; M51-L64 HydrophobicContact CB-CD2 4.14Å; M51-L64 HydrophobicContact CE-CD1 4.02Å; M51-L77 HydrophobicContact CE-CB 4.35Å; M51-L79 HydrophobicContact CE-CB 3.62Å; M51-L79 HydrophobicContact SD-CB 4.29Å; M51-L111 HydrophobicContact CG-CD2 4.31Å; M51-L111 HydrophobicContact SD-CD2 3.91Å; M51-I114 HydrophobicContact CE-CD1 4.05Å; M51-I114 HydrophobicContact SD-CD1 3.37Å; M51-I114 WeakPolarHBondContact SD-CD1 3.42Å; M51-P140 HydrophobicContact CE-CG 3.81Å; M51-P140 HydrophobicContact SD-CG 3.78Å
52S98.6Very high98.2Very high52 Ų5247.7 Ų47.736%0.36425%0.25SS..Hα-helixtrans-68.5-38.8178.3-56.90000112.6V48 R49 W50 S56V48-S52 VanDerWaalsContact O-CB 3.29Å; V48-S52 WeakPolarHBondContact O-CB 3.37Å; V48-S52 PolarHBondContact O-N 3.25Å; V48-S52 PolarHBondContact O-OG 3.4Å; R49-S52 PolarHBondContact O-N 2.99Å; W50-S52 VanDerWaalsContact C-N 3.33Å; W50-S52 PolarHBondContact O-N 3.07Å; S52-S56 WeakPolarHBondContact O-CB 3.49Å; S52-S56 PolarHBondContact O-N 3.49Å; S52-S56 PolarHBondContact O-OG 2.9Å
53F98.6Very high98.2Very high105 Ų10549.4 Ų49.446%0.46126%0.258SS..Hα-helixtrans-58-56.8174.7173.8-99.2000110.7R49 W50 A55 S56 T57R49-F53 WeakPolarHBondContact O-CB 3.4Å; R49-F53 PolarHBondContact O-N 2.96Å; W50-F53 PolarHBondContact O-N 3.47Å; F53-A55 VanDerWaalsContact C-N 3.33Å; F53-A55 PolarHBondContact O-N 2.9Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 VanDerWaalsContact O-N 3.15Å; F53-S56 PolarHBondContact O-OG 3.04Å; F53-T57 WeakPolarHBondContact O-CB 3.35Å; F53-T57 PolarHBondContact O-N 3.46Å; F53-T57 PolarHBondContact O-OG1 3.37Å; F53-T57 VanDerWaalsContact O-OG1 3.08Å
54Y98.6Very high98.2Very high7 Ų747.6 Ų47.63%0.02725%0.251CS..Hα-helixtrans-64.1-36.6-178.6-77.5-72.7000113W50 S56 Y58 I114 Q115 C118 E119W50-Y54 AromaticContact CD1-CD2 3.74Å; W50-Y54 AromaticContact CD1-CE2 3.97Å; W50-Y54 HydrophobicContact CD2-CD2 4.4Å; W50-Y54 AromaticContact CD2-CE2 3.93Å; W50-Y54 HydrophobicContact CD2-CE2 3.93Å; W50-Y54 AromaticContact CE2-CE2 3.4Å; W50-Y54 VanDerWaalsContact CE2-CE2 3.4Å; W50-Y54 HydrophobicContact CG-CD2 4.27Å; W50-Y54 HydrophobicContact CG-CE2 4.28Å; W50-Y54 HydrophobicContact CH2-CE2 4.41Å; W50-Y54 AromaticContact CZ2-CE2 3.69Å; W50-Y54 HydrophobicContact CZ2-CE2 3.69Å; W50-Y54 AromaticContact NE1-CD2 3.55Å; W50-Y54 AromaticContact NE1-CE2 3.42Å; W50-Y54 WeakPolarHBondContact O-CD2 3.44Å; W50-Y54 PolarHBondContact O-N 2.91Å; W50-Y54 VanDerWaalsContact O-N 3.13Å; Y54-S56 PolarHBondContact O-N 3.2Å; Y54-Y58 AromaticContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CD2 3.83Å; Y54-Y58 AromaticContact CD1-CE2 3.83Å; Y54-Y58 HydrophobicContact CD1-CE2 3.83Å; Y54-Y58 HydrophobicContact CE1-CE2 4.07Å; Y54-Y58 WeakPolarHBondContact O-CB 3.24Å; Y54-Y58 PolarHBondContact O-N 3.37Å; Y54-I114 HydrophobicContact CD1-CG2 4.46Å; Y54-I114 HydrophobicContact CD2-CG2 3.92Å; Y54-I114 HydrophobicContact CG-CG2 3.8Å; Y54-Q115 HydrophobicContact CE1-CB 4.11Å; Y54-Q115 HydrophobicContact CE1-CG 4.25Å; Y54-Q115 HydrophobicContact CE2-CB 4.11Å; Y54-Q115 WeakPolarHBondContact OH-CB 3.3Å; Y54-Q115 WeakPolarHBondContact OH-CG 3.5Å; Y54-C118 HydrophobicContact CD1-CB 3.73Å; Y54-C118 HydrophobicContact CE1-CB 4.24Å; Y54-E119 HydrophobicContact CE1-CG 4.11Å; Y54-E119 WeakPolarHBondContact CE1-OE1 3.45Å; Y54-E119 PolarHBondContact OH-OE1 2.92Å
55A98.4Very high98.1Very high14 Ų1447.7 Ų47.712%0.11625%0.251CS..Hα-helixtrans-63-39.9174.900000113M51 F53 S59 L64 L79M51-A55 VanDerWaalsContact O-CB 3.29Å; M51-A55 WeakPolarHBondContact O-CB 3Å; M51-A55 PolarHBondContact O-N 2.93Å; F53-A55 VanDerWaalsContact C-N 3.33Å; F53-A55 PolarHBondContact O-N 2.9Å; A55-S59 VanDerWaalsContact O-CA 3.26Å; A55-S59 WeakPolarHBondContact O-CA 3.28Å; A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 3.18Å; A55-L64 HydrophobicContact CB-CB 3.62Å; A55-L79 HydrophobicContact CB-CD1 3.7Å
56S98.2Very high98.1Very high80 Ų8046.5 Ų46.556%0.55925%0.245SC*.Hα-helixtrans-77.3-45.2-179.960.80000112.4S52 F53 Y54S52-S56 WeakPolarHBondContact O-CB 3.49Å; S52-S56 PolarHBondContact O-N 3.49Å; S52-S56 PolarHBondContact O-OG 2.9Å; F53-S56 PolarHBondContact O-N 2.91Å; F53-S56 VanDerWaalsContact O-N 3.15Å; F53-S56 PolarHBondContact O-OG 3.04Å; Y54-S56 PolarHBondContact O-N 3.2Å
57T98.5Very high98.2Very high67 Ų6746.2 Ų46.241%0.41124%0.243SC..Hα-helixtrans-68.9-34.4-178.5-55.50000112.6F53F53-T57 WeakPolarHBondContact O-CB 3.35Å; F53-T57 PolarHBondContact O-N 3.46Å; F53-T57 PolarHBondContact O-OG1 3.37Å; F53-T57 VanDerWaalsContact O-OG1 3.08Å
58Y97.9Very high98.2Very high50 Ų5047.1 Ų47.120%0.19625%0.253CS..THydrogen-bonded Turntrans-114.435.6-178.6-62.3-91.4000112.4Y54 Q60 I61 A62 C118 E119Y54-Y58 AromaticContact CD1-CD2 3.83Å; Y54-Y58 HydrophobicContact CD1-CD2 3.83Å; Y54-Y58 AromaticContact CD1-CE2 3.83Å; Y54-Y58 HydrophobicContact CD1-CE2 3.83Å; Y54-Y58 HydrophobicContact CE1-CE2 4.07Å; Y54-Y58 WeakPolarHBondContact O-CB 3.24Å; Y54-Y58 PolarHBondContact O-N 3.37Å; Y58-Q60 VanDerWaalsContact CA-OE1 3.27Å; Y58-Q60 PolarHBondContact O-N 3.48Å; Y58-Q60 PolarHBondContact O-OE1 2.93Å; Y58-I61 WeakPolarHBondContact O-CG1 3.47Å; Y58-I61 PolarHBondContact O-N 3.15Å; Y58-A62 WeakPolarHBondContact O-CB 3.36Å; Y58-A62 PolarHBondContact O-N 3.46Å; Y58-C118 HydrophobicContact CD1-CB 3.95Å; Y58-C118 WeakPolarHBondContact CD1-O 3.16Å; Y58-C118 HydrophobicContact CD2-CB 3.61Å; Y58-C118 HydrophobicContact CE1-CB 4.2Å; Y58-C118 WeakPolarHBondContact CE1-O 3.49Å; Y58-C118 HydrophobicContact CE2-CB 3.87Å; Y58-C118 HydrophobicContact CG-CB 3.66Å; Y58-E119 HydrophobicContact CE2-CG 4.36Å; Y58-E119 WeakPolarHBondContact OH-CG 3.41Å
59S96.8Very high98.2Very high71 Ų7150.3 Ų50.350%0.49726%0.263SS..THydrogen-bonded Turntrans-55.4-19.6-175.858.60000115.4A55 I61A55-S59 VanDerWaalsContact O-CA 3.26Å; A55-S59 WeakPolarHBondContact O-CA 3.28Å; A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 3.18Å; S59-I61 VanDerWaalsContact C-N 3.3Å
60Q95.7Very high98.2Very high105 Ų10543.2 Ų43.249%0.49124%0.238SC..THydrogen-bonded Turntrans-68.2-26.5172.873.5-75.42.300113.7Y58Y58-Q60 VanDerWaalsContact CA-OE1 3.27Å; Y58-Q60 PolarHBondContact O-N 3.48Å; Y58-Q60 PolarHBondContact O-OE1 2.93Å
61I97.6Very high98.2Very high2 Ų243.8 Ų43.81%0.0124%0.244CC..THydrogen-bonded Turntrans-126.3-14.7179.954.7166.3000113.9Y58 S59 I81 S82 Y121 V131Y58-I61 WeakPolarHBondContact O-CG1 3.47Å; Y58-I61 PolarHBondContact O-N 3.15Å; S59-I61 VanDerWaalsContact C-N 3.3Å; I61-I81 HydrophobicContact CD1-CG2 4.37Å; I61-I81 CarbonylContact O-C 3.53Å; I61-I81 VanDerWaalsContact O-CA 3.23Å; I61-I81 WeakPolarHBondContact O-CA 3.35Å; I61-S82 CarbonylContact C-O 2.9Å; I61-S82 WeakPolarHBondContact CA-O 3.38Å; I61-S82 WeakPolarHBondContact CB-O 3.49Å; I61-S82 PolarHBondContact O-N 3.25Å; I61-Y121 HydrophobicContact CD1-CD1 3.82Å; I61-Y121 HydrophobicContact CD1-CD2 4.33Å; I61-Y121 HydrophobicContact CD1-CG 3.7Å; I61-Y121 HydrophobicContact CG2-CD1 4.11Å; I61-Y121 HydrophobicContact CG2-CE1 3.71Å; I61-Y121 HydrophobicContact CG2-CE2 4.32Å; I61-V131 HydrophobicContact CB-CG1 4.21Å; I61-V131 HydrophobicContact CD1-CG1 4.34Å; I61-V131 HydrophobicContact CG2-CG1 3.97Å
62A98.3Very high98.2Very high2 Ų249.4 Ų49.42%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-116135.9-172.700000112.2Y58 L79 A80Y58-A62 WeakPolarHBondContact O-CB 3.36Å; Y58-A62 PolarHBondContact O-N 3.46Å; A62-L79 HydrophobicContact CB-CD1 4.27Å; A62-L79 HydrophobicContact CB-CD2 4.42Å; A62-L79 HydrophobicContact CB-CG 4.43Å; A62-A80 CarbonylContact C-O 3.59Å; A62-A80 VanDerWaalsContact CA-O 3.28Å; A62-A80 WeakPolarHBondContact CA-O 3.29Å
63H97.6Very high98.2Very high35 Ų3548.9 Ų48.916%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-136.8120174.9168.1-139.5000110.8Y65 A80 P85 W86H63-Y65 AromaticContact CE1-CD1 3.81Å; H63-Y65 AromaticContact ND1-CD1 3.9Å; H63-A80 HydrophobicContact CB-CB 4.43Å; H63-A80 PolarHBondContact N-O 2.64Å; H63-A80 PolarHBondContact O-N 3.26Å; H63-P85 HydrophobicContact CB-CB 3.78Å; H63-P85 HydrophobicContact CB-CG 4.02Å; H63-W86 HydrophobicContact CB-CD2 4.19Å; H63-W86 HydrophobicContact CB-CE3 4.36Å; H63-W86 HydrophobicContact CB-CH2 4.14Å; H63-W86 HydrophobicContact CB-CZ2 3.9Å; H63-W86 HydrophobicContact CB-CZ3 4.39Å; H63-W86 AromaticContact CD2-CE3 3.55Å; H63-W86 AromaticContact CD2-CH2 2.97Å; H63-W86 WeakPolarHBondContact CD2-CH2 3.5Å; H63-W86 AromaticContact CD2-CZ2 3.67Å; H63-W86 AromaticContact CD2-CZ3 2.93Å; H63-W86 WeakPolarHBondContact CD2-CZ3 3.4Å; H63-W86 AromaticContact CE1-CE3 3.41Å; H63-W86 VanDerWaalsContact CE1-CE3 3.41Å; H63-W86 AromaticContact CE1-CZ3 3.39Å; H63-W86 WeakPolarHBondContact CE1-CZ3 3.3Å; H63-W86 AromaticContact CG-CD2 3.84Å; H63-W86 AromaticContact CG-CE2 3.96Å; H63-W86 AromaticContact CG-CE3 3.53Å; H63-W86 AromaticContact CG-CH2 3.54Å; H63-W86 AromaticContact CG-CZ2 3.79Å; H63-W86 AromaticContact CG-CZ3 3.42Å; H63-W86 VanDerWaalsContact CG-CZ3 3.42Å; H63-W86 AromaticContact ND1-CD2 3.95Å; H63-W86 AromaticContact ND1-CE3 3.45Å; H63-W86 AromaticContact ND1-CZ3 3.69Å; H63-W86 AromaticContact NE2-CE3 3.49Å; H63-W86 AromaticContact NE2-CH2 3.51Å; H63-W86 AromaticContact NE2-CZ3 2.92Å; H63-W86 WeakPolarHBondContact NE2-CZ3 3.35Å
64L98.4Very high98.2Very high42 Ų4246.6 Ų46.622%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-90.6128.5175.6-178.762.2000111.1M51 A55 L77 V78 L79M51-L64 HydrophobicContact CB-CD1 3.82Å; M51-L64 HydrophobicContact CB-CD2 4.14Å; M51-L64 HydrophobicContact CE-CD1 4.02Å; A55-L64 HydrophobicContact CB-CB 3.62Å; L64-L77 HydrophobicContact CD1-CB 4.02Å; L64-L77 HydrophobicContact CD1-CD1 4.46Å; L64-L77 HydrophobicContact CD1-CD2 4.23Å; L64-L77 HydrophobicContact CD1-CG 4.48Å; L64-V78 WeakPolarHBondContact CA-O 3.4Å; L64-V78 WeakPolarHBondContact CD1-O 3.17Å; L64-L79 HydrophobicContact CB-CD1 3.95Å; L64-L79 HydrophobicContact CD1-CD1 4.39Å
65Y98Very high98.2Very high36 Ų3649.2 Ų49.214%0.14127%0.274CS..EExtended strand (participates in β ladder)trans-145.3163.3172.764.9-82.9000111.3H63 I67 V78 A80 H137 W195H63-Y65 AromaticContact CE1-CD1 3.81Å; H63-Y65 AromaticContact ND1-CD1 3.9Å; Y65-I67 HydrophobicContact CD2-CG2 4.11Å; Y65-I67 HydrophobicContact CE2-CG2 3.59Å; Y65-V78 HydrophobicContact CD1-CB 4.34Å; Y65-V78 HydrophobicContact CD2-CB 4.36Å; Y65-V78 HydrophobicContact CE1-CB 3.87Å; Y65-V78 HydrophobicContact CE1-CG1 3.68Å; Y65-V78 HydrophobicContact CE2-CB 3.92Å; Y65-V78 HydrophobicContact CE2-CG1 4.25Å; Y65-V78 HydrophobicContact CE2-CG2 4.29Å; Y65-V78 PolarHBondContact N-O 3.15Å; Y65-V78 PolarHBondContact O-N 2.8Å; Y65-V78 WeakPolarHBondContact OH-CG1 3.27Å; Y65-A80 HydrophobicContact CE1-CB 4.07Å; Y65-H137 AromaticContact CE1-ND1 3.77Å; Y65-H137 AromaticContact CZ-ND1 3.73Å; Y65-H137 PolarHBondContact OH-CE1 2.95Å; Y65-H137 VanDerWaalsContact OH-CE1 3.29Å; Y65-H137 PolarHBondContact OH-ND1 3.35Å; Y65-W195 AromaticContact CE2-NE1 3.96Å; Y65-W195 AromaticContact CZ-NE1 3.89Å; Y65-W195 PolarHBondContact OH-NE1 3.42Å
66S98.6Very high98.2Very high46 Ų4648.6 Ų48.632%0.32227%0.268SS..EExtended strand (participates in β ladder)trans-102.3140.3173.1177.20000110.9G68 E75 L76S66-G68 PolarHBondContact OG-N 3.37Å; S66-G68 PolarHBondContact OG-O 2.79Å; S66-E75 WeakPolarHBondContact CB-OE2 3.11Å; S66-E75 PolarHBondContact OG-OE2 2.85Å; S66-L76 WeakPolarHBondContact CA-O 3.29Å
67I98.6Very high98.2Very high25 Ų2545.7 Ų45.713%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-94.7-8.9172.660.9164.7000113.1Y65 L76 V78 L139 A191 V192 W195Y65-I67 HydrophobicContact CD2-CG2 4.11Å; Y65-I67 HydrophobicContact CE2-CG2 3.59Å; I67-L76 HydrophobicContact CD1-CB 4.22Å; I67-L76 HydrophobicContact CD1-CD2 4.38Å; I67-L76 HydrophobicContact CG1-CB 3.61Å; I67-L76 HydrophobicContact CG1-CD2 4.43Å; I67-L76 WeakPolarHBondContact CG1-O 3.33Å; I67-L76 PolarHBondContact N-O 3.19Å; I67-V78 HydrophobicContact CG1-CG2 4.36Å; I67-V78 HydrophobicContact CG2-CG2 3.65Å; I67-L139 HydrophobicContact CD1-CD2 3.74Å; I67-A191 HydrophobicContact CD1-CB 4.35Å; I67-A191 HydrophobicContact CG1-CB 4.3Å; I67-A191 WeakPolarHBondContact O-CB 3.37Å; I67-V192 HydrophobicContact CD1-CG2 3.86Å; I67-W195 HydrophobicContact CB-CB 4.15Å; I67-W195 HydrophobicContact CB-CG 4.26Å; I67-W195 HydrophobicContact CD1-CB 4.28Å; I67-W195 HydrophobicContact CD1-CD2 4.13Å; I67-W195 HydrophobicContact CD1-CE3 3.78Å; I67-W195 HydrophobicContact CD1-CG 4.38Å; I67-W195 HydrophobicContact CD1-CZ3 4.44Å; I67-W195 HydrophobicContact CG2-CB 3.93Å; I67-W195 HydrophobicContact CG2-CD2 3.83Å; I67-W195 HydrophobicContact CG2-CG 3.53Å
68G98.6Very high98.3Very high23 Ų2342.5 Ų42.524%0.23723%0.227CC..EExtended strand (participates in β ladder)trans156.5-170-174.900000111.5S66 L76S66-G68 PolarHBondContact OG-N 3.37Å; S66-G68 PolarHBondContact OG-O 2.79Å; G68-L76 PolarHBondContact O-N 3.44Å
69K98.8Very high98.3Very high111 Ų11140.1 Ų40.148%0.48322%0.218SC..EExtended strand (participates in β ladder)trans-123.5146.6179.5-68.4-178.2172.7-172.90110.5R74 E75K69-R74 CarbonylContact C-O 3.53Å; K69-R74 WeakPolarHBondContact CA-O 3.27Å; K69-E75 VanDerWaalsContact CE-CD 3.45Å; K69-E75 WeakPolarHBondContact CE-OE1 3.3Å; K69-E75 IonicContact NZ-OE1 3.04Å; K69-E75 PolarHBondContact NZ-OE1 3.37Å
70S98.8Very high98.4Very high6 Ų636.7 Ų36.74%0.04219%0.194CC..  trans-67.2170.3164.756.90000111.1Q72 G73 R74 D145 E188S70-Q72 VanDerWaalsContact C-N 3.28Å; S70-Q72 PolarHBondContact O-N 3.45Å; S70-G73 PolarHBondContact O-N 2.74Å; S70-R74 PolarHBondContact N-O 3.34Å; S70-R74 WeakPolarHBondContact OG-CA 3.5Å; S70-R74 VanDerWaalsContact OG-CB 3.28Å; S70-R74 WeakPolarHBondContact OG-CB 3.47Å; S70-R74 PolarHBondContact OG-N 2.92Å; S70-R74 PolarHBondContact OG-O 3.37Å; S70-D145 WeakPolarHBondContact CB-OD1 3.45Å; S70-D145 PolarHBondContact OG-OD1 2.76Å; S70-D145 VanDerWaalsContact OG-OD1 3.05Å; S70-E188 WeakPolarHBondContact CA-OE1 3.31Å; S70-E188 VanDerWaalsContact CB-OE1 3.31Å; S70-E188 WeakPolarHBondContact CB-OE1 3.48Å
71V98.6Very high98.5Very high41 Ų4131.7 Ų31.725%0.24817%0.171CC..THydrogen-bonded Turntrans-53.6-42.2174.7167.30000112.5G73 D145 S164 R165 P187 E188V71-G73 PolarHBondContact O-N 3.05Å; V71-D145 PolarHBondContact N-OD2 2.87Å; V71-S164 WeakPolarHBondContact CB-OG 3.5Å; V71-S164 WeakPolarHBondContact CG1-OG 3.37Å; V71-R165 HydrophobicContact CB-CG 4.49Å; V71-R165 HydrophobicContact CG1-CG 3.81Å; V71-R165 HydrophobicContact CG2-CG 3.91Å; V71-P187 HydrophobicContact CG2-CG 3.62Å; V71-E188 PolarHBondContact N-OE1 3.19Å
72Q98.6Very high98.4Very high118 Ų11831.6 Ų31.655%0.55117%0.17SC*.THydrogen-bonded Turntrans-85.512178.7-61.6-176.1-65.800113.4S70 R74 D145S70-Q72 VanDerWaalsContact C-N 3.28Å; S70-Q72 PolarHBondContact O-N 3.45Å; Q72-R74 PolarHBondContact O-N 3.07Å; Q72-D145 WeakPolarHBondContact CB-OD2 3.31Å; Q72-D145 WeakPolarHBondContact CG-OD2 3.35Å; Q72-D145 PolarHBondContact N-OD2 3.27Å
73G98.5Very high98.3Very high40 Ų4033.7 Ų33.741%0.41218%0.183SC..SBendtrans83.17.5172.100000115.3S70 V71S70-G73 PolarHBondContact O-N 2.74Å; V71-G73 PolarHBondContact O-N 3.05Å
74R98.8Very high97.9Very high57 Ų5735.9 Ų35.922%0.21520%0.196CC..  trans-70.4133.1170.6-60.6-179.3179.287.3-1.9109.8Y44 K69 S70 Q72 P144 D145Y44-R74 HydrophobicContact CD1-CB 4.32Å; Y44-R74 HydrophobicContact CD1-CG 3.92Å; Y44-R74 HydrophobicContact CD2-CB 4.12Å; Y44-R74 HydrophobicContact CD2-CG 4.32Å; Y44-R74 HydrophobicContact CE1-CB 3.9Å; Y44-R74 HydrophobicContact CE1-CG 3.87Å; Y44-R74 HydrophobicContact CE2-CB 3.67Å; Y44-R74 HydrophobicContact CE2-CG 4.28Å; Y44-R74 HydrophobicContact CG-CB 4.43Å; Y44-R74 HydrophobicContact CG-CG 4.16Å; K69-R74 CarbonylContact C-O 3.53Å; K69-R74 WeakPolarHBondContact CA-O 3.27Å; S70-R74 PolarHBondContact N-O 3.34Å; S70-R74 WeakPolarHBondContact OG-CA 3.5Å; S70-R74 VanDerWaalsContact OG-CB 3.28Å; S70-R74 WeakPolarHBondContact OG-CB 3.47Å; S70-R74 PolarHBondContact OG-N 2.92Å; S70-R74 PolarHBondContact OG-O 3.37Å; Q72-R74 PolarHBondContact O-N 3.07Å; R74-P144 HydrophobicContact CB-CB 4.25Å; R74-P144 HydrophobicContact CB-CG 3.82Å; R74-D145 IonicContact CZ-OD1 3.84Å; R74-D145 IonicContact NH1-OD1 3.21Å; R74-D145 PolarHBondContact NH1-OD1 2.88Å
75E98.8Very high97.2Very high63 Ų6334 Ų3429%0.29419%0.186SC..EExtended strand (participates in β ladder)trans-66.7137176.8-60-71.7168.800110.7Y44 S66 K69 L77Y44-E75 WeakPolarHBondContact CE2-O 3.3Å; Y44-E75 WeakPolarHBondContact OH-CB 3.09Å; Y44-E75 PolarHBondContact OH-N 2.86Å; Y44-E75 PolarHBondContact OH-O 3Å; S66-E75 WeakPolarHBondContact CB-OE2 3.11Å; S66-E75 PolarHBondContact OG-OE2 2.85Å; K69-E75 VanDerWaalsContact CE-CD 3.45Å; K69-E75 WeakPolarHBondContact CE-OE1 3.3Å; K69-E75 IonicContact NZ-OE1 3.04Å; K69-E75 PolarHBondContact NZ-OE1 3.37Å; E75-L77 HydrophobicContact CB-CD2 3.72Å; E75-L77 HydrophobicContact CB-CG 3.96Å; E75-L77 PolarHBondContact O-N 2.93Å
76L98.9Very high96.5Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-87.489.4170-82.360.3000107.4S66 I67 G68 L139 P144 E188 A191S66-L76 WeakPolarHBondContact CA-O 3.29Å; I67-L76 HydrophobicContact CD1-CB 4.22Å; I67-L76 HydrophobicContact CD1-CD2 4.38Å; I67-L76 HydrophobicContact CG1-CB 3.61Å; I67-L76 HydrophobicContact CG1-CD2 4.43Å; I67-L76 WeakPolarHBondContact CG1-O 3.33Å; I67-L76 PolarHBondContact N-O 3.19Å; G68-L76 PolarHBondContact O-N 3.44Å; L76-L139 HydrophobicContact CB-CD1 4.18Å; L76-P144 HydrophobicContact CD1-CG 4.4Å; L76-E188 HydrophobicContact CD2-CB 4.12Å; L76-E188 HydrophobicContact CD2-CG 4.3Å; L76-A191 HydrophobicContact CD2-CB 4.11Å
77L98.9Very high95.6Very high19 Ų1947 Ų4710%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-81.9129.3-171.9-67.3-178.2000112.6L47 V48 M51 L64 E75 L139 P140L47-L77 HydrophobicContact CD2-CD1 4.14Å; V48-L77 HydrophobicContact CB-CD1 4.32Å; V48-L77 HydrophobicContact CG1-CD1 4.44Å; V48-L77 HydrophobicContact CG2-CD1 3.81Å; M51-L77 HydrophobicContact CE-CB 4.35Å; L64-L77 HydrophobicContact CD1-CB 4.02Å; L64-L77 HydrophobicContact CD1-CD1 4.46Å; L64-L77 HydrophobicContact CD1-CD2 4.23Å; L64-L77 HydrophobicContact CD1-CG 4.48Å; E75-L77 HydrophobicContact CB-CD2 3.72Å; E75-L77 HydrophobicContact CB-CG 3.96Å; E75-L77 PolarHBondContact O-N 2.93Å; L77-L139 VanDerWaalsContact O-CD1 3.26Å; L77-L139 WeakPolarHBondContact O-CD1 3.25Å; L77-P140 WeakPolarHBondContact O-CD 3.37Å
78V98.8Very high94.5Very high0 Ų047.9 Ų47.90%023%0.231CC..EExtended strand (participates in β ladder)trans-116.8132.6175-178.60000109.9L64 Y65 I67 H137 I138 L139 W195L64-V78 WeakPolarHBondContact CA-O 3.4Å; L64-V78 WeakPolarHBondContact CD1-O 3.17Å; Y65-V78 HydrophobicContact CD1-CB 4.34Å; Y65-V78 HydrophobicContact CD2-CB 4.36Å; Y65-V78 HydrophobicContact CE1-CB 3.87Å; Y65-V78 HydrophobicContact CE1-CG1 3.68Å; Y65-V78 HydrophobicContact CE2-CB 3.92Å; Y65-V78 HydrophobicContact CE2-CG1 4.25Å; Y65-V78 HydrophobicContact CE2-CG2 4.29Å; Y65-V78 PolarHBondContact N-O 3.15Å; Y65-V78 PolarHBondContact O-N 2.8Å; Y65-V78 WeakPolarHBondContact OH-CG1 3.27Å; I67-V78 HydrophobicContact CG1-CG2 4.36Å; I67-V78 HydrophobicContact CG2-CG2 3.65Å; V78-H137 HydrophobicContact CG1-CB 4Å; V78-I138 VanDerWaalsContact CA-O 3.28Å; V78-I138 WeakPolarHBondContact CA-O 3.32Å; V78-L139 HydrophobicContact CG2-CB 4.03Å; V78-L139 HydrophobicContact CG2-CD1 3.98Å; V78-L139 HydrophobicContact CG2-CG 4.46Å; V78-W195 HydrophobicContact CG1-CH2 4.35Å; V78-W195 HydrophobicContact CG1-CZ2 3.81Å; V78-W195 HydrophobicContact CG2-CH2 4.17Å; V78-W195 HydrophobicContact CG2-CZ2 4Å
79L98.6Very high93.3Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-102.3115.5166.2-162.173.3000109.2M51 A55 A62 L64 I81 I114 I138M51-L79 HydrophobicContact CE-CB 3.62Å; M51-L79 HydrophobicContact SD-CB 4.29Å; A55-L79 HydrophobicContact CB-CD1 3.7Å; A62-L79 HydrophobicContact CB-CD1 4.27Å; A62-L79 HydrophobicContact CB-CD2 4.42Å; A62-L79 HydrophobicContact CB-CG 4.43Å; L64-L79 HydrophobicContact CB-CD1 3.95Å; L64-L79 HydrophobicContact CD1-CD1 4.39Å; L79-I81 HydrophobicContact CD2-CD1 4.08Å; L79-I81 HydrophobicContact CD2-CG1 4.11Å; L79-I81 HydrophobicContact CG-CG1 4.23Å; L79-I114 HydrophobicContact CB-CD1 4.01Å; L79-I114 HydrophobicContact CD2-CB 4.27Å; L79-I114 HydrophobicContact CD2-CD1 3.95Å; L79-I114 HydrophobicContact CD2-CG1 3.99Å; L79-I114 HydrophobicContact CD2-CG2 3.35Å; L79-I138 PolarHBondContact N-O 3.28Å; L79-I138 PolarHBondContact O-N 2.84Å
80A98.1Very high92Very high0 Ų045.8 Ų45.80%022%0.222CC..EExtended strand (participates in β ladder)trans-83.4130.4166.500000109.5A62 H63 Y65 P85 I136 H137A62-A80 CarbonylContact C-O 3.59Å; A62-A80 VanDerWaalsContact CA-O 3.28Å; A62-A80 WeakPolarHBondContact CA-O 3.29Å; H63-A80 HydrophobicContact CB-CB 4.43Å; H63-A80 PolarHBondContact N-O 2.64Å; H63-A80 PolarHBondContact O-N 3.26Å; Y65-A80 HydrophobicContact CE1-CB 4.07Å; A80-P85 HydrophobicContact CB-CB 4.09Å; A80-I136 CarbonylContact C-O 3.46Å; A80-I136 WeakPolarHBondContact CA-O 3.23Å; A80-H137 WeakPolarHBondContact CB-ND1 3.44Å
81I98.2Very high91.1Very high0 Ų045.6 Ų45.60%022%0.221CC..EExtended strand (participates in β ladder)trans-124118.4175.9-55.1175000109I61 L79 I114 L117 V131 I136 I138I61-I81 HydrophobicContact CD1-CG2 4.37Å; I61-I81 CarbonylContact O-C 3.53Å; I61-I81 VanDerWaalsContact O-CA 3.23Å; I61-I81 WeakPolarHBondContact O-CA 3.35Å; L79-I81 HydrophobicContact CD2-CD1 4.08Å; L79-I81 HydrophobicContact CD2-CG1 4.11Å; L79-I81 HydrophobicContact CG-CG1 4.23Å; I81-I114 HydrophobicContact CD1-CG1 4.25Å; I81-L117 HydrophobicContact CD1-CB 3.92Å; I81-L117 HydrophobicContact CD1-CD1 3.83Å; I81-L117 HydrophobicContact CG2-CB 4.44Å; I81-V131 HydrophobicContact CG2-CG1 4.11Å; I81-V131 HydrophobicContact CG2-CG2 3.97Å; I81-I136 PolarHBondContact N-O 3.18Å; I81-I136 PolarHBondContact O-N 3.04Å; I81-I138 HydrophobicContact CD1-CD1 4.47Å
82S96.9Very high90.9Very high0 Ų043.6 Ų43.60%021%0.209CC..SBendtrans-174.1175.2179.162.30000111.3I61 N84 P85 E89 V131I61-S82 CarbonylContact C-O 2.9Å; I61-S82 WeakPolarHBondContact CA-O 3.38Å; I61-S82 WeakPolarHBondContact CB-O 3.49Å; I61-S82 PolarHBondContact O-N 3.25Å; S82-N84 VanDerWaalsContact C-N 3.33Å; S82-N84 PolarHBondContact O-N 2.81Å; S82-N84 VanDerWaalsContact OG-C 3.23Å; S82-N84 PolarHBondContact OG-N 2.99Å; S82-P85 WeakPolarHBondContact O-CD 3.2Å; S82-P85 WeakPolarHBondContact OG-CA 3.29Å; S82-E89 WeakPolarHBondContact CB-OE2 3.28Å; S82-V131 WeakPolarHBondContact CA-O 3.47Å
83T94.1Very high90.8Very high46 Ų4638 Ų3828%0.28218%0.183SC..SBendtrans-63.8-31.4170.539.30000114.7E89 V131 N132T83-E89 PolarHBondContact OG1-OE1 3Å; T83-V131 PolarHBondContact N-O 3.34Å; T83-N132 HydrophobicContact CG2-CB 4.34Å; T83-N132 VanDerWaalsContact CG2-OD1 3.24Å; T83-N132 WeakPolarHBondContact CG2-OD1 3.42Å
84N89.5Confident90.8Very high81 Ų8136.1 Ų36.143%0.43316%0.163SC..SBendtrans-131.173.6174.2-62.8-80.7000111.4S82 W86 R87 E89S82-N84 VanDerWaalsContact C-N 3.33Å; S82-N84 PolarHBondContact O-N 2.81Å; S82-N84 VanDerWaalsContact OG-C 3.23Å; S82-N84 PolarHBondContact OG-N 2.99Å; N84-W86 PolarHBondContact O-N 2.99Å; N84-R87 HydrophobicContact CB-CB 4.29Å; N84-R87 PolarHBondContact O-N 3Å; N84-E89 HydrophobicContact CB-CG 4.19Å; N84-E89 VanDerWaalsContact CB-OE1 3.22Å; N84-E89 WeakPolarHBondContact CB-OE1 3.48Å; N84-E89 PolarHBondContact N-OE1 2.72Å; N84-E89 PolarHBondContact ND2-OE1 2.82Å
85P85.4Confident90.8Very high2 Ų233.4 Ų33.41%0.01315%0.153CC..THydrogen-bonded Turntrans-65.8-17.1-167.731-38000113.8H63 A80 S82 R135H63-P85 HydrophobicContact CB-CB 3.78Å; H63-P85 HydrophobicContact CB-CG 4.02Å; A80-P85 HydrophobicContact CB-CB 4.09Å; S82-P85 WeakPolarHBondContact O-CD 3.2Å; S82-P85 WeakPolarHBondContact OG-CA 3.29Å; P85-R135 PolarHBondContact O-NH2 2.79Å
86W83.1Confident90.8Very high165 Ų16530.4 Ų30.463%0.62514%0.139SC*.THydrogen-bonded Turntrans-83.7-27.9177-5096.9000114.1H63 N84H63-W86 HydrophobicContact CB-CD2 4.19Å; H63-W86 HydrophobicContact CB-CE3 4.36Å; H63-W86 HydrophobicContact CB-CH2 4.14Å; H63-W86 HydrophobicContact CB-CZ2 3.9Å; H63-W86 HydrophobicContact CB-CZ3 4.39Å; H63-W86 AromaticContact CD2-CE3 3.55Å; H63-W86 AromaticContact CD2-CH2 2.97Å; H63-W86 WeakPolarHBondContact CD2-CH2 3.5Å; H63-W86 AromaticContact CD2-CZ2 3.67Å; H63-W86 AromaticContact CD2-CZ3 2.93Å; H63-W86 WeakPolarHBondContact CD2-CZ3 3.4Å; H63-W86 AromaticContact CE1-CE3 3.41Å; H63-W86 VanDerWaalsContact CE1-CE3 3.41Å; H63-W86 AromaticContact CE1-CZ3 3.39Å; H63-W86 WeakPolarHBondContact CE1-CZ3 3.3Å; H63-W86 AromaticContact CG-CD2 3.84Å; H63-W86 AromaticContact CG-CE2 3.96Å; H63-W86 AromaticContact CG-CE3 3.53Å; H63-W86 AromaticContact CG-CH2 3.54Å; H63-W86 AromaticContact CG-CZ2 3.79Å; H63-W86 AromaticContact CG-CZ3 3.42Å; H63-W86 VanDerWaalsContact CG-CZ3 3.42Å; H63-W86 AromaticContact ND1-CD2 3.95Å; H63-W86 AromaticContact ND1-CE3 3.45Å; H63-W86 AromaticContact ND1-CZ3 3.69Å; H63-W86 AromaticContact NE2-CE3 3.49Å; H63-W86 AromaticContact NE2-CH2 3.51Å; H63-W86 AromaticContact NE2-CZ3 2.92Å; H63-W86 WeakPolarHBondContact NE2-CZ3 3.35Å; N84-W86 PolarHBondContact O-N 2.99Å
87R78.6Confident90.8Very high189 Ų18930.5 Ų30.571%0.71314%0.14SC*.SBendtrans-106.2153.1-171-67.3-172.7177.3-1670.3110.3N84 E89 R135N84-R87 HydrophobicContact CB-CB 4.29Å; N84-R87 PolarHBondContact O-N 3Å; R87-E89 PolarHBondContact O-N 3.39Å; R87-R135 PolarHBondContact O-NE 2.77Å; R87-R135 PolarHBondContact O-NH1 3.44Å
88H76.9Confident90.8Very high44 Ų4429.6 Ų29.620%0.20414%0.135CC..  trans-61121.4170.117850.7000108.4P200 D365 D367H88-P200 WeakPolarHBondContact CE1-CG 3.38Å; H88-D365 IonicContact CD2-OD2 3.04Å; H88-D367 IonicContact CD2-OD2 3.06Å; H88-D367 IonicContact CE1-OD2 2.71Å; H88-D367 PolarHBondContact CE1-OD2 3.03Å; H88-D367 IonicContact NE2-OD1 3.76Å; H88-D367 IonicContact NE2-OD2 3.58Å; H88-D367 PolarHBondContact NE2-OD2 2.79Å
89E71.5Confident90.8Very high29 Ų2929.7 Ų29.714%0.13614%0.135CC..  trans-117.9137.2169.9-76.2-175.4152.100108.2S82 T83 N84 R87 S92 R135S82-E89 WeakPolarHBondContact CB-OE2 3.28Å; T83-E89 PolarHBondContact OG1-OE1 3Å; N84-E89 HydrophobicContact CB-CG 4.19Å; N84-E89 VanDerWaalsContact CB-OE1 3.22Å; N84-E89 WeakPolarHBondContact CB-OE1 3.48Å; N84-E89 PolarHBondContact N-OE1 2.72Å; N84-E89 PolarHBondContact ND2-OE1 2.82Å; R87-E89 PolarHBondContact O-N 3.39Å; E89-S92 PolarHBondContact O-OG 2.8Å; E89-R135 HydrophobicContact CB-CB 4.37Å
90P71.9Confident90.8Very high62 Ų6229.9 Ų29.940%0.40314%0.136SC..SBendtrans-38.7133.9164.4-39.644.2000114.2W369P90-W369 VanDerWaalsContact CA-CZ2 3.48Å; P90-W369 HydrophobicContact CB-CH2 3.31Å; P90-W369 HydrophobicContact CB-CZ2 3.29Å; P90-W369 HydrophobicContact CB-CZ3 4.46Å; P90-W369 HydrophobicContact CG-CH2 3.93Å; P90-W369 HydrophobicContact CG-CZ2 4.31Å
91G80.6Confident90.8Very high1 Ų129.9 Ų29.91%0.0114%0.136CC..SBendtrans75.655.9173.500000115.1R135G91-R135 PolarHBondContact O-N 2.84Å
92S93.7Very high90.8Very high0 Ų029.9 Ų29.90%014%0.137CC..EExtended strand (participates in β ladder)trans-85.4142.6176.3-62.40000111.9E89 R135 F201 V202E89-S92 PolarHBondContact O-OG 2.8Å; S92-R135 WeakPolarHBondContact CA-O 3.48Å; S92-F201 WeakPolarHBondContact O-CA 3.1Å; S92-V202 PolarHBondContact O-N 3.45Å
93L97.4Very high90.9Very high0 Ų030 Ų300%014%0.137CC..EExtended strand (participates in β ladder)trans-135.8157172.370.395.3000111.7L95 T134 R135 I136 H137 F201 L203 I327 V330L93-L95 HydrophobicContact CD1-CD2 4.39Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L93-T134 HydrophobicContact CD2-CG2 3.37Å; L93-T134 HydrophobicContact CG-CG2 4.07Å; L93-R135 PolarHBondContact N-O 2.87Å; L93-I136 HydrophobicContact CD1-CG2 4.13Å; L93-H137 PolarHBondContact O-N 3.02Å; L93-F201 VanDerWaalsContact C-CD1 3.48Å; L93-L203 WeakPolarHBondContact CA-O 3.5Å; L93-L203 HydrophobicContact CB-CB 4.2Å; L93-L203 WeakPolarHBondContact CB-O 3.31Å; L93-I327 HydrophobicContact CD1-CG1 4.19Å; L93-I327 HydrophobicContact CD1-CG2 4.34Å; L93-I327 HydrophobicContact CD2-CB 4.21Å; L93-I327 HydrophobicContact CD2-CG2 3.63Å; L93-I327 WeakPolarHBondContact CD2-O 3.45Å; L93-V330 HydrophobicContact CB-CG2 4.24Å; L93-V330 HydrophobicContact CD2-CB 3.77Å; L93-V330 HydrophobicContact CD2-CG1 3.84Å; L93-V330 HydrophobicContact CD2-CG2 4.16Å
94K98.5Very high91.1Very high0 Ų027.8 Ų27.80%012%0.123CC..EExtended strand (participates in β ladder)trans-123144.417463.9175.9-172.5-161.50112.9V96 H137 W195 S196 F201 L203 S204 A205 N288 D294 E296K94-V96 HydrophobicContact CD-CG2 4.19Å; K94-H137 CarbonylContact C-O 3.26Å; K94-H137 VanDerWaalsContact CA-O 3.23Å; K94-H137 WeakPolarHBondContact CA-O 3.3Å; K94-H137 HydrophobicContact CB-CB 4.35Å; K94-W195 HydrophobicContact CB-CH2 3.61Å; K94-W195 HydrophobicContact CB-CZ2 4.12Å; K94-W195 HydrophobicContact CB-CZ3 4.25Å; K94-W195 HydrophobicContact CD-CE3 4.25Å; K94-W195 HydrophobicContact CD-CH2 3.98Å; K94-W195 HydrophobicContact CD-CZ3 3.74Å; K94-W195 HydrophobicContact CG-CH2 4.37Å; K94-S196 PolarHBondContact NZ-OG 2.79Å; K94-F201 HydrophobicContact CB-CD1 3.86Å; K94-F201 HydrophobicContact CB-CE1 3.63Å; K94-F201 HydrophobicContact CB-CE2 4.36Å; K94-F201 HydrophobicContact CB-CG 4.33Å; K94-F201 HydrophobicContact CB-CZ 3.89Å; K94-F201 HydrophobicContact CD-CD2 3.85Å; K94-F201 HydrophobicContact CD-CE2 3.9Å; K94-F201 HydrophobicContact CD-CG 4.19Å; K94-F201 HydrophobicContact CD-CZ 4.3Å; K94-F201 HydrophobicContact CG-CD1 4.08Å; K94-F201 HydrophobicContact CG-CD2 4.23Å; K94-F201 HydrophobicContact CG-CE1 4.25Å; K94-F201 HydrophobicContact CG-CE2 4.39Å; K94-F201 HydrophobicContact CG-CG 4.07Å; K94-F201 HydrophobicContact CG-CZ 4.4Å; K94-L203 PolarHBondContact N-O 2.79Å; K94-L203 VanDerWaalsContact N-O 3.15Å; K94-S204 WeakPolarHBondContact O-CA 3.42Å; K94-S204 VanDerWaalsContact O-CB 3.31Å; K94-S204 WeakPolarHBondContact O-CB 3.49Å; K94-A205 PolarHBondContact O-N 2.98Å; K94-N288 VanDerWaalsContact NZ-CG 3.27Å; K94-N288 PolarHBondContact NZ-ND2 2.86Å; K94-N288 PolarHBondContact NZ-OD1 3.12Å; K94-D294 WeakPolarHBondContact CE-OD2 3.22Å; K94-D294 IonicContact NZ-OD2 3.28Å; K94-D294 PolarHBondContact NZ-OD2 2.94Å; K94-E296 WeakPolarHBondContact CE-OE2 3.23Å; K94-E296 IonicContact NZ-OE2 2.66Å
95L98.9Very high91.5Very high0 Ų023.9 Ų23.90%010%0.103CC..EExtended strand (participates in β ladder)trans-119.1125.6166.6-58.4175.3000108.2L93 L110 L113 H137 L139 A205 F326 I327L93-L95 HydrophobicContact CD1-CD2 4.39Å; L93-L95 HydrophobicContact CD1-CG 4.14Å; L95-L110 HydrophobicContact CB-CD1 4.39Å; L95-L110 HydrophobicContact CB-CD2 3.65Å; L95-L110 HydrophobicContact CD1-CD2 3.83Å; L95-L110 HydrophobicContact CG-CD2 4.39Å; L95-L113 HydrophobicContact CD1-CD2 3.48Å; L95-L113 VanDerWaalsContact CD1-CD2 3.48Å; L95-H137 PolarHBondContact N-O 2.85Å; L95-L139 PolarHBondContact O-N 3.47Å; L95-A205 HydrophobicContact CD2-CB 3.96Å; L95-F326 HydrophobicContact CD2-CD1 4.08Å; L95-F326 HydrophobicContact CD2-CE1 4.05Å; L95-I327 HydrophobicContact CD1-CD1 4.08Å; L95-I327 HydrophobicContact CD1-CG1 4.09Å
96V98.9Very high92.2Very high1 Ų123.8 Ų23.81%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-118.5126.8-177.9-178.10000108.6K94 L139 M142 W195 A205 N206 L207 M284K94-V96 HydrophobicContact CD-CG2 4.19Å; V96-L139 WeakPolarHBondContact CA-O 3.06Å; V96-L139 HydrophobicContact CG1-CD2 3.96Å; V96-L139 HydrophobicContact CG1-CG 4.34Å; V96-L139 HydrophobicContact CG2-CB 4.33Å; V96-L139 HydrophobicContact CG2-CD2 4.37Å; V96-M142 HydrophobicContact CG1-CB 3.94Å; V96-M142 HydrophobicContact CG1-SD 4.37Å; V96-W195 HydrophobicContact CG2-CH2 4.46Å; V96-W195 HydrophobicContact CG2-CZ3 3.94Å; V96-A205 PolarHBondContact N-O 3.4Å; V96-N206 CarbonylContact O-C 3.46Å; V96-N206 VanDerWaalsContact O-CA 3.31Å; V96-N206 WeakPolarHBondContact O-CA 3.33Å; V96-L207 PolarHBondContact O-N 2.88Å; V96-M284 HydrophobicContact CB-CE 3.96Å; V96-M284 HydrophobicContact CG1-CE 3.98Å; V96-M284 HydrophobicContact CG2-CE 4.25Å
97G98.8Very high92.9Very high1 Ų116 Ų161%0.017%0.072CC..EExtended strand (participates in β ladder)trans-111.5159175.100000112M99 L139 P140 S141 M142G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 2.9Å; G97-L139 PolarHBondContact N-O 2.8Å; G97-P140 CarbonylContact C-O 3.55Å; G97-S141 WeakPolarHBondContact O-CA 3.32Å; G97-M142 PolarHBondContact O-N 2.89Å
98N98.5Very high93.9Very high0 Ų07 Ų70%04%0.038CC..  trans5744.1158.1-174.5-125.5000112.5H100 G101 E103 R107 S141 N143 L207N98-H100 VanDerWaalsContact C-N 3.34Å; N98-H100 CarbonylContact C-O 3.52Å; N98-H100 PolarHBondContact ND2-O 3.3Å; N98-G101 VanDerWaalsContact ND2-C 3.25Å; N98-G101 WeakPolarHBondContact ND2-CA 3.47Å; N98-G101 PolarHBondContact ND2-O 2.86Å; N98-E103 PolarHBondContact ND2-O 3.03Å; N98-R107 HydrophobicContact CB-CB 3.8Å; N98-R107 PolarHBondContact OD1-NH1 3.37Å; N98-S141 PolarHBondContact OD1-OG 3.32Å; N98-N143 WeakPolarHBondContact O-CB 3.47Å; N98-N143 PolarHBondContact O-N 3.13Å; N98-L207 PolarHBondContact N-O 2.8Å
99M98.7Very high94.9Very high2 Ų24.9 Ų4.91%0.013%0.029CC..SBendtrans-73.8-30.4167.572.3177.3-58.600111.6G97 M142 N143 L169 N170 F173 H208 M284G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 2.9Å; M99-M142 HydrophobicContact CB-CB 4Å; M99-M142 HydrophobicContact CB-CG 4.2Å; M99-M142 HydrophobicContact CB-SD 3.61Å; M99-M142 HydrophobicContact CE-SD 4.22Å; M99-N143 WeakPolarHBondContact O-CB 3.5Å; M99-N143 PolarHBondContact O-ND2 3.21Å; M99-L169 HydrophobicContact CE-CB 4.19Å; M99-N170 VanDerWaalsContact CE-CA 3.42Å; M99-N170 HydrophobicContact CE-CB 3.45Å; M99-N170 VanDerWaalsContact CE-CB 3.45Å; M99-N170 HydrophobicContact SD-CB 3.98Å; M99-F173 HydrophobicContact CE-CE2 4.19Å; M99-H208 WeakPolarHBondContact CG-CE1 3.44Å; M99-H208 VanDerWaalsContact CG-NE2 3.32Å; M99-H208 WeakPolarHBondContact CG-NE2 3.34Å; M99-H208 PolarHBondContact SD-NE2 2.96Å; M99-M284 HydrophobicContact CE-CB 4.26Å; M99-M284 HydrophobicContact SD-CE 4.16Å
100H98.6Very high96.2Very high4 Ų43.5 Ų3.52%0.0192%0.022CC..SBendtrans-88.7118.7153.7-62.2151.5000108.3N98 N102 E103 R161 D168 N170 H208N98-H100 VanDerWaalsContact C-N 3.34Å; N98-H100 CarbonylContact C-O 3.52Å; N98-H100 PolarHBondContact ND2-O 3.3Å; H100-N102 VanDerWaalsContact C-N 3.25Å; H100-N102 PolarHBondContact O-N 2.88Å; H100-E103 HydrophobicContact CB-CB 4.08Å; H100-E103 VanDerWaalsContact CB-CD 3.46Å; H100-E103 HydrophobicContact CB-CG 3.9Å; H100-E103 IonicContact CE1-OE1 3.66Å; H100-E103 IonicContact CG-OE1 3.58Å; H100-E103 IonicContact CG-OE2 2.79Å; H100-E103 IonicContact ND1-OE1 2.77Å; H100-E103 PolarHBondContact ND1-OE1 3.07Å; H100-E103 IonicContact ND1-OE2 2.88Å; H100-E103 PolarHBondContact ND1-OE2 3.14Å; H100-E103 PolarHBondContact O-N 3.4Å; H100-E103 VanDerWaalsContact O-N 3.1Å; H100-R161 VanDerWaalsContact CA-O 3.26Å; H100-R161 WeakPolarHBondContact CA-O 3.35Å; H100-R161 HydrophobicContact CB-CG 3.92Å; H100-R161 PolarHBondContact CE1-NH1 3.29Å; H100-R161 PolarHBondContact CE1-NH2 2.94Å; H100-R161 PolarHBondContact ND1-NH1 3.43Å; H100-R161 VanDerWaalsContact ND1-NH1 3.16Å; H100-R161 PolarHBondContact NE2-NH2 3.44Å; H100-D168 IonicContact CD2-OD1 3.75Å; H100-D168 IonicContact NE2-OD1 2.68Å; H100-D168 PolarHBondContact NE2-OD1 2.74Å; H100-D168 VanDerWaalsContact NE2-OD1 3.08Å; H100-D168 IonicContact NE2-OD2 3.38Å; H100-N170 WeakPolarHBondContact NE2-CB 3.23Å; H100-H208 AromaticContact CE1-CE1 3.33Å; H100-H208 PolarHBondContact CE1-CE1 2.8Å; H100-H208 AromaticContact CE1-ND1 3.52Å; H100-H208 AromaticContact CG-CE1 3.91Å; H100-H208 AromaticContact CG-ND1 4Å; H100-H208 AromaticContact ND1-CE1 3.34Å; H100-H208 PolarHBondContact ND1-CE1 2.82Å; H100-H208 VanDerWaalsContact ND1-CE1 3.34Å; H100-H208 AromaticContact ND1-ND1 3.19Å; H100-H208 PolarHBondContact ND1-ND1 3.29Å; H100-H208 VanDerWaalsContact ND1-ND1 3.19Å; H100-H208 AromaticContact NE2-CE1 3.93Å
101G98.5Very high97.5Very high0 Ų00.5 Ų0.50%00%0.003CC..THydrogen-bonded Turntrans-65.8-28.3-170.900000113.6N98 E103 N143 Y147 G160 R161N98-G101 VanDerWaalsContact ND2-C 3.25Å; N98-G101 WeakPolarHBondContact ND2-CA 3.47Å; N98-G101 PolarHBondContact ND2-O 2.86Å; G101-E103 VanDerWaalsContact C-N 3.32Å; G101-E103 PolarHBondContact O-N 3.44Å; G101-N143 PolarHBondContact N-ND2 3.3Å; G101-Y147 VanDerWaalsContact O-CA 3.25Å; G101-Y147 WeakPolarHBondContact O-CA 3.49Å; G101-G160 CarbonylContact C-O 3.59Å; G101-G160 VanDerWaalsContact C-O 3.26Å; G101-G160 WeakPolarHBondContact CA-O 3.45Å; G101-G160 PolarHBondContact N-O 2.79Å; G101-G160 VanDerWaalsContact N-O 3.11Å; G101-R161 PolarHBondContact N-O 2.82Å; G101-R161 VanDerWaalsContact N-O 3.08Å
102N98.4Very high98.3Very high1 Ų10.5 Ų0.51%0.0050%0.003CC..THydrogen-bonded Turntrans-84.90177.376.2-33.1000114.6H100 A150 G157 V159 G160 R161 K305 Y306H100-N102 VanDerWaalsContact C-N 3.25Å; H100-N102 PolarHBondContact O-N 2.88Å; N102-A150 HydrophobicContact CB-CB 3.66Å; N102-G157 PolarHBondContact ND2-O 3.23Å; N102-V159 WeakPolarHBondContact CB-O 2.82Å; N102-G160 PolarHBondContact N-O 2.87Å; N102-R161 WeakPolarHBondContact OD1-CA 3.35Å; N102-R161 WeakPolarHBondContact OD1-CB 3.31Å; N102-K305 CarbonylContact O-C 3.53Å; N102-K305 WeakPolarHBondContact O-CB 3.26Å; N102-Y306 PolarHBondContact O-N 3.24Å
103E98.5Very high98.6Very high1 Ų10.5 Ų0.51%0.0050%0.003CC..  trans-100.688.8175.6-69.5170.7-160.900108.2N98 H100 G101 R161 H208 S209 K305N98-E103 PolarHBondContact ND2-O 3.03Å; H100-E103 HydrophobicContact CB-CB 4.08Å; H100-E103 VanDerWaalsContact CB-CD 3.46Å; H100-E103 HydrophobicContact CB-CG 3.9Å; H100-E103 IonicContact CE1-OE1 3.66Å; H100-E103 IonicContact CG-OE1 3.58Å; H100-E103 IonicContact CG-OE2 2.79Å; H100-E103 IonicContact ND1-OE1 2.77Å; H100-E103 PolarHBondContact ND1-OE1 3.07Å; H100-E103 IonicContact ND1-OE2 2.88Å; H100-E103 PolarHBondContact ND1-OE2 3.14Å; H100-E103 PolarHBondContact O-N 3.4Å; H100-E103 VanDerWaalsContact O-N 3.1Å; G101-E103 VanDerWaalsContact C-N 3.32Å; G101-E103 PolarHBondContact O-N 3.44Å; E103-R161 IonicContact OE1-NH1 2.79Å; E103-R161 PolarHBondContact OE1-NH1 3.22Å; E103-H208 WeakPolarHBondContact OE2-CA 3.29Å; E103-H208 VanDerWaalsContact OE2-CB 3.28Å; E103-H208 WeakPolarHBondContact OE2-CB 3.37Å; E103-H208 IonicContact OE2-CE1 2.82Å; E103-H208 IonicContact OE2-CG 3.88Å; E103-H208 VanDerWaalsContact OE2-CG 3.29Å; E103-H208 IonicContact OE2-ND1 3.24Å; E103-H208 PolarHBondContact OE2-ND1 3.41Å; E103-S209 WeakPolarHBondContact CG-O 3.39Å; E103-S209 PolarHBondContact OE2-N 3.43Å; E103-K305 WeakPolarHBondContact CA-O 3.34Å; E103-K305 HydrophobicContact CG-CD 3.44Å; E103-K305 VanDerWaalsContact CG-CD 3.44Å; E103-K305 IonicContact OE1-NZ 3.84Å; E103-K305 PolarHBondContact OE1-NZ 3.18Å
104V98.2Very high98.7Very high0 Ų00.5 Ų0.50%00%0.003CC..  trans-92.1-29.3-157.5170.10000113.5H41 G106 R107 E108 Y147 K305 Y306H41-V104 WeakPolarHBondContact ND1-CG1 3.03Å; V104-G106 VanDerWaalsContact C-N 3.26Å; V104-G106 PolarHBondContact O-N 2.84Å; V104-R107 WeakPolarHBondContact O-CB 3.2Å; V104-R107 PolarHBondContact O-N 2.71Å; V104-E108 HydrophobicContact CG1-CG 3.95Å; V104-E108 PolarHBondContact O-N 3.17Å; V104-Y147 HydrophobicContact CB-CE2 4.29Å; V104-Y147 HydrophobicContact CG1-CD2 4.49Å; V104-Y147 HydrophobicContact CG1-CE2 3.7Å; V104-Y147 HydrophobicContact CG2-CD2 3.84Å; V104-Y147 HydrophobicContact CG2-CE2 3.77Å; V104-K305 PolarHBondContact N-O 3.41Å; V104-Y306 HydrophobicContact CB-CD1 4.09Å; V104-Y306 HydrophobicContact CB-CE1 4.32Å; V104-Y306 HydrophobicContact CB-CG 4.25Å; V104-Y306 HydrophobicContact CG1-CD1 4.26Å; V104-Y306 HydrophobicContact CG1-CE1 4.06Å; V104-Y306 HydrophobicContact CG2-CD1 3.82Å; V104-Y306 HydrophobicContact CG2-CD2 3.54Å; V104-Y306 HydrophobicContact CG2-CE1 3.97Å; V104-Y306 HydrophobicContact CG2-CE2 3.7Å; V104-Y306 HydrophobicContact CG2-CG 3.6Å
105L98.5Very high98.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-58.9-39.2-171.3179.759.2000112.6R107 E108 C109 M301 N302 P307 L312 Y315L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.22Å; L105-E108 PolarHBondContact O-N 3.13Å; L105-C109 WeakPolarHBondContact O-CB 3.33Å; L105-C109 PolarHBondContact O-N 3.34Å; L105-M301 HydrophobicContact CD2-CB 3.69Å; L105-M301 HydrophobicContact CD2-CE 4.42Å; L105-M301 HydrophobicContact CG-CB 4.26Å; L105-M301 HydrophobicContact CG-CE 4.27Å; L105-M301 HydrophobicContact CG-SD 4.26Å; L105-N302 HydrophobicContact CD2-CB 3.66Å; L105-N302 VanDerWaalsContact CD2-OD1 3.32Å; L105-N302 WeakPolarHBondContact CD2-OD1 3.49Å; L105-P307 HydrophobicContact CB-CG 4.47Å; L105-L312 HydrophobicContact CD1-CD2 4.05Å; L105-Y315 HydrophobicContact CD1-CD2 4.17Å; L105-Y315 HydrophobicContact CD1-CG 4.11Å; L105-Y315 HydrophobicContact CD2-CD1 4.13Å; L105-Y315 HydrophobicContact CD2-CD2 4.2Å; L105-Y315 HydrophobicContact CD2-CG 3.77Å
106G98.6Very high98.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-57.6-42.6176.400000113.2V104 L110 M301V104-G106 VanDerWaalsContact C-N 3.26Å; V104-G106 PolarHBondContact O-N 2.84Å; G106-L110 WeakPolarHBondContact O-CB 3.12Å; G106-L110 WeakPolarHBondContact O-CG 3.48Å; G106-L110 PolarHBondContact O-N 2.66Å; G106-M301 WeakPolarHBondContact CA-SD 3.22Å
107R98.6Very high98.7Very high0 Ų01 Ų10%01%0.005CC..Hα-helixtrans-59.1-53.4176.3175.9-171-178.9127.2-9.5111.2H42 L47 N98 V104 L105 L110 L111 P140 S141 Y147H42-R107 VanDerWaalsContact O-CZ 3.24Å; H42-R107 PolarHBondContact O-NE 3.23Å; H42-R107 VanDerWaalsContact O-NE 3.11Å; H42-R107 PolarHBondContact O-NH2 3.15Å; L47-R107 HydrophobicContact CD1-CG 4.39Å; N98-R107 HydrophobicContact CB-CB 3.8Å; N98-R107 PolarHBondContact OD1-NH1 3.37Å; V104-R107 WeakPolarHBondContact O-CB 3.2Å; V104-R107 PolarHBondContact O-N 2.71Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.22Å; R107-L110 PolarHBondContact O-N 3.47Å; R107-L111 WeakPolarHBondContact O-CG 3.23Å; R107-L111 PolarHBondContact O-N 3.2Å; R107-L111 VanDerWaalsContact O-N 3.14Å; R107-P140 VanDerWaalsContact CA-O 3.26Å; R107-P140 WeakPolarHBondContact CA-O 3.3Å; R107-P140 WeakPolarHBondContact CB-O 3.35Å; R107-P140 HydrophobicContact CG-CB 4.38Å; R107-S141 PolarHBondContact NH1-OG 3.14Å; R107-Y147 VanDerWaalsContact NH1-CD1 3.3Å
108E98.8Very high98.6Very high0 Ų00.9 Ų0.90%00%0.004CC..Hα-helixtrans-66.7-43.4-175-56.7-54.515300111.1R40 H42 V104 L105 L110 L111 Y112 Y147 L312R40-E108 VanDerWaalsContact O-OE2 3.09Å; H42-E108 IonicContact CE1-OE2 2.75Å; H42-E108 IonicContact CG-OE2 3.71Å; H42-E108 PolarHBondContact N-OE1 3.08Å; H42-E108 PolarHBondContact N-OE2 3.21Å; H42-E108 IonicContact ND1-OE2 3.72Å; H42-E108 PolarHBondContact ND1-OE2 2.95Å; V104-E108 HydrophobicContact CG1-CG 3.95Å; V104-E108 PolarHBondContact O-N 3.17Å; L105-E108 PolarHBondContact O-N 3.13Å; E108-L110 VanDerWaalsContact C-N 3.27Å; E108-L110 PolarHBondContact O-N 2.68Å; E108-L111 PolarHBondContact O-N 2.66Å; E108-L111 VanDerWaalsContact O-N 3.12Å; E108-Y112 HydrophobicContact CB-CE2 3.82Å; E108-Y112 WeakPolarHBondContact O-CD2 3.31Å; E108-Y112 PolarHBondContact O-N 3.28Å; E108-Y147 PolarHBondContact OE1-OH 3.23Å; E108-L312 HydrophobicContact CB-CD2 4.36Å; E108-L312 HydrophobicContact CG-CD1 4.3Å; E108-L312 HydrophobicContact CG-CD2 4.34Å
109C98.8Very high98.6Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-61.1-33.3175.3-80.70000113.3L105 L113 M301 W316 L323L105-C109 WeakPolarHBondContact O-CB 3.33Å; L105-C109 PolarHBondContact O-N 3.34Å; C109-L113 VanDerWaalsContact O-CB 3.24Å; C109-L113 WeakPolarHBondContact O-CB 3.41Å; C109-L113 PolarHBondContact O-N 3.1Å; C109-M301 HydrophobicContact CB-CE 3.93Å; C109-W316 HydrophobicContact CB-CE3 4.34Å; C109-W316 WeakPolarHBondContact O-CZ3 3.1Å; C109-L323 HydrophobicContact CB-CD1 4.22Å
110L98.9Very high98.6Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-71.1-35.5174.4-73.1179.9000112.7L95 G106 R107 E108 L113 I114 I138 P140 L207L95-L110 HydrophobicContact CB-CD1 4.39Å; L95-L110 HydrophobicContact CB-CD2 3.65Å; L95-L110 HydrophobicContact CD1-CD2 3.83Å; L95-L110 HydrophobicContact CG-CD2 4.39Å; G106-L110 WeakPolarHBondContact O-CB 3.12Å; G106-L110 WeakPolarHBondContact O-CG 3.48Å; G106-L110 PolarHBondContact O-N 2.66Å; R107-L110 PolarHBondContact O-N 3.47Å; E108-L110 VanDerWaalsContact C-N 3.27Å; E108-L110 PolarHBondContact O-N 2.68Å; L110-L113 HydrophobicContact CD2-CD2 4.03Å; L110-L113 PolarHBondContact O-N 2.81Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 3.09Å; L110-I138 HydrophobicContact CB-CG2 3.67Å; L110-I138 HydrophobicContact CD1-CG2 4.14Å; L110-I138 HydrophobicContact CD2-CG2 3.97Å; L110-I138 HydrophobicContact CG-CG2 4.1Å; L110-P140 HydrophobicContact CB-CB 4.24Å; L110-L207 HydrophobicContact CD1-CD1 4Å; L110-L207 HydrophobicContact CD2-CD1 3.79Å; L110-L207 HydrophobicContact CG-CD1 3.73Å
111L98.9Very high98.6Very high0 Ų05.8 Ų5.80%03%0.025CC..Hα-helixtrans-65.5-41.8172.3-64.2175.7000111.6H42 L47 W50 M51 R107 E108 I114 Q115 P140H42-L111 HydrophobicContact CB-CD1 3.59Å; L47-L111 HydrophobicContact CG-CD2 4.33Å; W50-L111 HydrophobicContact CG-CD2 4.21Å; W50-L111 PolarHBondContact NE1-O 2.83Å; M51-L111 HydrophobicContact CG-CD2 4.31Å; M51-L111 HydrophobicContact SD-CD2 3.91Å; R107-L111 WeakPolarHBondContact O-CG 3.23Å; R107-L111 PolarHBondContact O-N 3.2Å; R107-L111 VanDerWaalsContact O-N 3.14Å; E108-L111 PolarHBondContact O-N 2.66Å; E108-L111 VanDerWaalsContact O-N 3.12Å; L111-I114 WeakPolarHBondContact O-CB 3.22Å; L111-I114 PolarHBondContact O-N 2.46Å; L111-Q115 PolarHBondContact O-N 2.79Å; L111-P140 HydrophobicContact CD2-CB 3.92Å; L111-P140 HydrophobicContact CD2-CG 3.73Å; L111-P140 HydrophobicContact CG-CB 4.19Å; L111-P140 HydrophobicContact CG-CG 4.45Å
112Y98.8Very high98.6Very high0 Ų09 Ų90%06%0.058CC..Hα-helixtrans-65.1-38.7174.1-60.7-27.4000112.8P36 D38 F39 R40 E108 Q115 V116 L312 W316P36-Y112 HydrophobicContact CB-CD1 3.86Å; P36-Y112 HydrophobicContact CB-CG 4.24Å; P36-Y112 HydrophobicContact CG-CD1 4.07Å; P36-Y112 HydrophobicContact CG-CG 3.99Å; D38-Y112 VanDerWaalsContact O-CE1 3.31Å; D38-Y112 WeakPolarHBondContact O-CE1 3.41Å; F39-Y112 WeakPolarHBondContact CA-OH 3.4Å; F39-Y112 HydrophobicContact CD1-CD2 4.28Å; F39-Y112 HydrophobicContact CD1-CE1 4.17Å; F39-Y112 AromaticContact CD1-CE2 3.7Å; F39-Y112 HydrophobicContact CD1-CE2 3.7Å; F39-Y112 AromaticContact CD1-CZ 3.65Å; F39-Y112 HydrophobicContact CE1-CD2 4.12Å; F39-Y112 HydrophobicContact CE1-CE2 4.01Å; F39-Y112 HydrophobicContact CE1-CG 4.48Å; R40-Y112 PolarHBondContact N-OH 2.86Å; R40-Y112 PolarHBondContact O-OH 3.04Å; E108-Y112 HydrophobicContact CB-CE2 3.82Å; E108-Y112 WeakPolarHBondContact O-CD2 3.31Å; E108-Y112 PolarHBondContact O-N 3.28Å; Y112-Q115 WeakPolarHBondContact O-CB 3.49Å; Y112-Q115 PolarHBondContact O-N 2.88Å; Y112-V116 PolarHBondContact O-N 3.14Å; Y112-L312 HydrophobicContact CE2-CB 4.5Å; Y112-W316 HydrophobicContact CD2-CB 4.19Å; Y112-W316 HydrophobicContact CD2-CD2 4.2Å; Y112-W316 HydrophobicContact CD2-CE3 4.08Å; Y112-W316 HydrophobicContact CD2-CG 4.25Å; Y112-W316 HydrophobicContact CG-CD2 4.44Å; Y112-W316 HydrophobicContact CG-CE3 4.37Å
113L98.8Very high98.6Very high0 Ų012.5 Ų12.50%08%0.083CC..Hα-helixtrans-63.4-42.2175.4177.864.9000111.4L95 C109 L110 Q115 V116 L117 I138 W316 L324 I327L95-L113 HydrophobicContact CD1-CD2 3.48Å; L95-L113 VanDerWaalsContact CD1-CD2 3.48Å; C109-L113 VanDerWaalsContact O-CB 3.24Å; C109-L113 WeakPolarHBondContact O-CB 3.41Å; C109-L113 PolarHBondContact O-N 3.1Å; L110-L113 HydrophobicContact CD2-CD2 4.03Å; L110-L113 PolarHBondContact O-N 2.81Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.07Å; L113-V116 PolarHBondContact O-N 2.98Å; L113-L117 HydrophobicContact CD1-CD1 4.17Å; L113-L117 HydrophobicContact CD1-CG 4.12Å; L113-L117 HydrophobicContact CG-CD1 3.93Å; L113-L117 HydrophobicContact CG-CG 4.33Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.85Å; L113-I138 HydrophobicContact CD2-CD1 3.87Å; L113-I138 HydrophobicContact CG-CD1 4.11Å; L113-W316 HydrophobicContact CB-CH2 4.27Å; L113-W316 HydrophobicContact CB-CZ3 4.33Å; L113-L324 HydrophobicContact CD1-CD2 3.89Å; L113-L324 HydrophobicContact CD1-CG 4.43Å; L113-I327 HydrophobicContact CD1-CD1 4.27Å; L113-I327 HydrophobicContact CD2-CD1 3.98Å
114I98.8Very high98.6Very high0 Ų013.1 Ų13.10%09%0.086CC..Hα-helixtrans-55.2-49.3172.9-74.9168.3000110.5M51 Y54 L79 I81 L110 L111 V116 L117 C118 I138 P140M51-I114 HydrophobicContact CE-CD1 4.05Å; M51-I114 HydrophobicContact SD-CD1 3.37Å; M51-I114 WeakPolarHBondContact SD-CD1 3.42Å; Y54-I114 HydrophobicContact CD1-CG2 4.46Å; Y54-I114 HydrophobicContact CD2-CG2 3.92Å; Y54-I114 HydrophobicContact CG-CG2 3.8Å; L79-I114 HydrophobicContact CB-CD1 4.01Å; L79-I114 HydrophobicContact CD2-CB 4.27Å; L79-I114 HydrophobicContact CD2-CD1 3.95Å; L79-I114 HydrophobicContact CD2-CG1 3.99Å; L79-I114 HydrophobicContact CD2-CG2 3.35Å; I81-I114 HydrophobicContact CD1-CG1 4.25Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 3.09Å; L111-I114 WeakPolarHBondContact O-CB 3.22Å; L111-I114 PolarHBondContact O-N 2.46Å; I114-V116 PolarHBondContact O-N 3.49Å; I114-L117 PolarHBondContact O-N 3.25Å; I114-C118 WeakPolarHBondContact O-CB 3.48Å; I114-C118 PolarHBondContact O-N 2.96Å; I114-C118 PolarHBondContact O-SG 2.87Å; I114-I138 HydrophobicContact CD1-CB 4.17Å; I114-I138 HydrophobicContact CD1-CG2 3.85Å; I114-I138 HydrophobicContact CG1-CB 4.23Å; I114-I138 HydrophobicContact CG1-CD1 3.66Å; I114-I138 HydrophobicContact CG1-CG2 4.11Å; I114-P140 HydrophobicContact CD1-CG 4.3Å
115Q98.7Very high98.6Very high11 Ų1121.4 Ų21.45%0.05113%0.125CC..Hα-helixtrans-57.2-49177.1169.4165.716.800111.5W50 Y54 L111 Y112 L113 L117 C118 E119W50-Q115 VanDerWaalsContact CH2-OE1 3.3Å; W50-Q115 HydrophobicContact CZ2-CB 3.9Å; Y54-Q115 HydrophobicContact CE1-CB 4.11Å; Y54-Q115 HydrophobicContact CE1-CG 4.25Å; Y54-Q115 HydrophobicContact CE2-CB 4.11Å; Y54-Q115 WeakPolarHBondContact OH-CB 3.3Å; Y54-Q115 WeakPolarHBondContact OH-CG 3.5Å; L111-Q115 PolarHBondContact O-N 2.79Å; Y112-Q115 WeakPolarHBondContact O-CB 3.49Å; Y112-Q115 PolarHBondContact O-N 2.88Å; L113-Q115 VanDerWaalsContact C-N 3.32Å; L113-Q115 PolarHBondContact O-N 3.07Å; Q115-L117 PolarHBondContact O-N 2.98Å; Q115-C118 PolarHBondContact O-N 3.03Å; Q115-E119 HydrophobicContact CG-CG 4.3Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.29Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 VanDerWaalsContact NE2-OE1 3.09Å; Q115-E119 PolarHBondContact NE2-OE2 2.78Å; Q115-E119 WeakPolarHBondContact O-CB 3.22Å; Q115-E119 PolarHBondContact O-N 3.38Å
116V98.8Very high98.6Very high0 Ų021.8 Ų21.80%013%0.126CC..Hα-helixtrans-62.7-43.2-179.3166.40000112L33 P36 Y112 L113 I114 N120 I127 W316L33-V116 HydrophobicContact CD1-CG1 4.18Å; L33-V116 HydrophobicContact CD2-CG1 4.24Å; P36-V116 HydrophobicContact CG-CG2 4.3Å; Y112-V116 PolarHBondContact O-N 3.14Å; L113-V116 PolarHBondContact O-N 2.98Å; I114-V116 PolarHBondContact O-N 3.49Å; V116-N120 VanDerWaalsContact O-CB 3.23Å; V116-N120 WeakPolarHBondContact O-CB 3.45Å; V116-N120 PolarHBondContact O-N 2.79Å; V116-N120 PolarHBondContact O-ND2 2.79Å; V116-I127 HydrophobicContact CG1-CD1 4.16Å; V116-W316 HydrophobicContact CB-CZ2 4.42Å; V116-W316 HydrophobicContact CG2-CH2 4.26Å; V116-W316 HydrophobicContact CG2-CZ2 3.61Å
117L98.7Very high98.6Very high0 Ų021.8 Ų21.80%013%0.126CC..Hα-helixtrans-62.4-45.1178-70.3170.3000111.3I81 L113 I114 Q115 Y121 I127 L130 V131 I136 I138 L324I81-L117 HydrophobicContact CD1-CB 3.92Å; I81-L117 HydrophobicContact CD1-CD1 3.83Å; I81-L117 HydrophobicContact CG2-CB 4.44Å; L113-L117 HydrophobicContact CD1-CD1 4.17Å; L113-L117 HydrophobicContact CD1-CG 4.12Å; L113-L117 HydrophobicContact CG-CD1 3.93Å; L113-L117 HydrophobicContact CG-CG 4.33Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 VanDerWaalsContact O-CG 3.28Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.85Å; I114-L117 PolarHBondContact O-N 3.25Å; Q115-L117 PolarHBondContact O-N 2.98Å; L117-Y121 WeakPolarHBondContact O-CB 3.41Å; L117-Y121 PolarHBondContact O-N 3.38Å; L117-I127 HydrophobicContact CD2-CD1 4.43Å; L117-I127 HydrophobicContact CD2-CG2 4.28Å; L117-I127 WeakPolarHBondContact O-CG2 3.37Å; L117-L130 HydrophobicContact CD2-CD2 4.16Å; L117-V131 HydrophobicContact CD2-CG2 4.37Å; L117-I136 HydrophobicContact CD1-CD1 4.03Å; L117-I136 HydrophobicContact CD1-CG2 4.32Å; L117-I136 HydrophobicContact CD2-CD1 4.08Å; L117-I138 HydrophobicContact CD1-CD1 3.94Å; L117-L324 HydrophobicContact CD2-CD2 4.2Å
118C98.6Very high98.5Very high0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-71.9-52.7-178.5-71.80000113.2Y54 Y58 I114 Q115 N120 Y121Y54-C118 HydrophobicContact CD1-CB 3.73Å; Y54-C118 HydrophobicContact CE1-CB 4.24Å; Y58-C118 HydrophobicContact CD1-CB 3.95Å; Y58-C118 WeakPolarHBondContact CD1-O 3.16Å; Y58-C118 HydrophobicContact CD2-CB 3.61Å; Y58-C118 HydrophobicContact CE1-CB 4.2Å; Y58-C118 WeakPolarHBondContact CE1-O 3.49Å; Y58-C118 HydrophobicContact CE2-CB 3.87Å; Y58-C118 HydrophobicContact CG-CB 3.66Å; I114-C118 WeakPolarHBondContact O-CB 3.48Å; I114-C118 PolarHBondContact O-N 2.96Å; I114-C118 PolarHBondContact O-SG 2.87Å; Q115-C118 PolarHBondContact O-N 3.03Å; C118-N120 VanDerWaalsContact C-N 3.3Å; C118-N120 PolarHBondContact O-N 3.14Å; C118-Y121 PolarHBondContact O-N 3.32Å
119E98.5Very high98.4Very high39 Ų3928.8 Ų28.818%0.18216%0.156CC..Hα-helixtrans-73.7-20.2-171.5-72.8177.1-163.600114.2K34 Y54 Y58 Q115K34-E119 HydrophobicContact CD-CB 4.32Å; K34-E119 WeakPolarHBondContact CD-O 3.44Å; K34-E119 PolarHBondContact NZ-O 3.1Å; Y54-E119 HydrophobicContact CE1-CG 4.11Å; Y54-E119 WeakPolarHBondContact CE1-OE1 3.45Å; Y54-E119 PolarHBondContact OH-OE1 2.92Å; Y58-E119 HydrophobicContact CE2-CG 4.36Å; Y58-E119 WeakPolarHBondContact OH-CG 3.41Å; Q115-E119 HydrophobicContact CG-CG 4.3Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.29Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 VanDerWaalsContact NE2-OE1 3.09Å; Q115-E119 PolarHBondContact NE2-OE2 2.78Å; Q115-E119 WeakPolarHBondContact O-CB 3.22Å; Q115-E119 PolarHBondContact O-N 3.38Å
120N98.7Very high98.3Very high3 Ų328.8 Ų28.82%0.01616%0.156CC..Hα-helixtrans-98.8-9.9177.8-64.5-85.5000113.3L33 K34 V116 C118 G122 S123 N124 I127L33-N120 WeakPolarHBondContact CA-OD1 3.33Å; L33-N120 HydrophobicContact CD2-CB 4.4Å; K34-N120 PolarHBondContact N-OD1 3.48Å; K34-N120 PolarHBondContact O-ND2 3.28Å; K34-N120 VanDerWaalsContact O-ND2 3.1Å; V116-N120 VanDerWaalsContact O-CB 3.23Å; V116-N120 WeakPolarHBondContact O-CB 3.45Å; V116-N120 PolarHBondContact O-N 2.79Å; V116-N120 PolarHBondContact O-ND2 2.79Å; C118-N120 VanDerWaalsContact C-N 3.3Å; C118-N120 PolarHBondContact O-N 3.14Å; N120-G122 PolarHBondContact O-N 3.26Å; N120-S123 WeakPolarHBondContact CA-OG 3.44Å; N120-S123 PolarHBondContact O-N 3.46Å; N120-S123 PolarHBondContact O-OG 2.78Å; N120-S123 VanDerWaalsContact O-OG 3.04Å; N120-N124 HydrophobicContact CB-CB 3.95Å; N120-N124 PolarHBondContact O-N 2.97Å; N120-I127 HydrophobicContact CB-CB 4.19Å; N120-I127 HydrophobicContact CB-CG1 4.02Å; N120-I127 HydrophobicContact CB-CG2 4.11Å
121Y98.3Very high98.2Very high66 Ų6628.8 Ų28.826%0.25916%0.156SC..THydrogen-bonded Turntrans-58.9132.2174.2-177.1-105.4000111.2I61 L117 C118 S123 T128 V131 N132I61-Y121 HydrophobicContact CD1-CD1 3.82Å; I61-Y121 HydrophobicContact CD1-CD2 4.33Å; I61-Y121 HydrophobicContact CD1-CG 3.7Å; I61-Y121 HydrophobicContact CG2-CD1 4.11Å; I61-Y121 HydrophobicContact CG2-CE1 3.71Å; I61-Y121 HydrophobicContact CG2-CE2 4.32Å; L117-Y121 WeakPolarHBondContact O-CB 3.41Å; L117-Y121 PolarHBondContact O-N 3.38Å; C118-Y121 PolarHBondContact O-N 3.32Å; Y121-S123 PolarHBondContact O-N 2.92Å; Y121-T128 HydrophobicContact CD2-CG2 4.19Å; Y121-T128 HydrophobicContact CE2-CG2 3.9Å; Y121-V131 HydrophobicContact CD2-CB 3.68Å; Y121-V131 HydrophobicContact CD2-CG1 3.67Å; Y121-V131 HydrophobicContact CD2-CG2 4.1Å; Y121-V131 HydrophobicContact CE2-CB 3.82Å; Y121-V131 HydrophobicContact CE2-CG1 3.61Å; Y121-N132 WeakPolarHBondContact CE2-OD1 3.45Å; Y121-N132 PolarHBondContact OH-OD1 2.94Å
122G97.8Very high98Very high67 Ų6732.4 Ų32.469%0.69118%0.175SC*.THydrogen-bonded Turntrans78.2-6.6-175.900000115.3N120 T128N120-G122 PolarHBondContact O-N 3.26Å; G122-T128 PolarHBondContact N-OG1 3.22Å
123S98Very high97.8Very high76 Ų7634.6 Ų34.653%0.53119%0.19SC..THydrogen-bonded Turntrans-121.1-28.8178.958.90000114N120 Y121N120-S123 WeakPolarHBondContact CA-OG 3.44Å; N120-S123 PolarHBondContact O-N 3.46Å; N120-S123 PolarHBondContact O-OG 2.78Å; N120-S123 VanDerWaalsContact O-OG 3.04Å; Y121-S123 PolarHBondContact O-N 2.92Å
124N98.5Very high97.6Very high14 Ų1434.6 Ų34.68%0.07519%0.19CC..  trans-109.3122.9171.9-178.8-73.9000109.5I30 N32 L33 N120 Y126 I127 T128I30-N124 PolarHBondContact O-ND2 2.95Å; N32-N124 PolarHBondContact O-ND2 2.61Å; L33-N124 HydrophobicContact CD2-CB 4.4Å; N120-N124 HydrophobicContact CB-CB 3.95Å; N120-N124 PolarHBondContact O-N 2.97Å; N124-Y126 PolarHBondContact O-N 2.95Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.37Å; N124-Y126 PolarHBondContact OD1-N 2.89Å; N124-I127 HydrophobicContact CB-CB 4.18Å; N124-I127 HydrophobicContact CB-CG1 4.11Å; N124-I127 PolarHBondContact O-N 3.12Å; N124-I127 PolarHBondContact OD1-N 3.1Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.24Å; N124-T128 PolarHBondContact O-N 3.12Å; N124-T128 PolarHBondContact O-OG1 2.82Å
125E98.2Very high97.4Very high174 Ų17435.6 Ų35.681%0.81319%0.194SC*.Hα-helixtrans-62.3-39.7-175.5-66.1-177.7175.800113R129E125-R129 WeakPolarHBondContact O-CB 3.22Å; E125-R129 PolarHBondContact O-N 3.06Å
126Y98.1Very high97.4Very high7 Ų735 Ų353%0.02719%0.191CC..Hα-helixtrans-65.4-50.8179.7-175.1-85.8000111.1M29 I30 N124 T128 R129 L130 L324 D328M29-Y126 HydrophobicContact CE-CD2 3.79Å; M29-Y126 HydrophobicContact CE-CE2 3.29Å; M29-Y126 HydrophobicContact SD-CE2 4.46Å; I30-Y126 HydrophobicContact CB-CD1 4.5Å; I30-Y126 HydrophobicContact CB-CG 4.41Å; I30-Y126 HydrophobicContact CD1-CD1 4.35Å; I30-Y126 HydrophobicContact CD1-CE1 4.13Å; I30-Y126 HydrophobicContact CG1-CD1 3.77Å; I30-Y126 HydrophobicContact CG1-CD2 4.03Å; I30-Y126 HydrophobicContact CG1-CE1 3.95Å; I30-Y126 HydrophobicContact CG1-CE2 4.25Å; I30-Y126 HydrophobicContact CG1-CG 3.82Å; I30-Y126 HydrophobicContact CG2-CD1 4.24Å; I30-Y126 HydrophobicContact CG2-CG 4.45Å; N124-Y126 PolarHBondContact O-N 2.95Å; N124-Y126 WeakPolarHBondContact OD1-CB 3.37Å; N124-Y126 PolarHBondContact OD1-N 2.89Å; Y126-T128 VanDerWaalsContact C-N 3.32Å; Y126-T128 PolarHBondContact O-N 3.25Å; Y126-R129 PolarHBondContact O-N 3.37Å; Y126-L130 HydrophobicContact CE1-CD2 4.26Å; Y126-L130 WeakPolarHBondContact O-CB 3.45Å; Y126-L130 PolarHBondContact O-N 2.75Å; Y126-L324 HydrophobicContact CE1-CB 4.24Å; Y126-D328 VanDerWaalsContact OH-CB 3.26Å; Y126-D328 WeakPolarHBondContact OH-CB 3.46Å; Y126-D328 PolarHBondContact OH-OD2 2.78Å
127I98.5Very high97.4Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-61.9-42.5178-60.5-61.5000110.9L33 V116 L117 N120 N124 R129 L130 V131 L324L33-I127 HydrophobicContact CD2-CD1 4.03Å; L33-I127 HydrophobicContact CD2-CG1 3.6Å; V116-I127 HydrophobicContact CG1-CD1 4.16Å; L117-I127 HydrophobicContact CD2-CD1 4.43Å; L117-I127 HydrophobicContact CD2-CG2 4.28Å; L117-I127 WeakPolarHBondContact O-CG2 3.37Å; N120-I127 HydrophobicContact CB-CB 4.19Å; N120-I127 HydrophobicContact CB-CG1 4.02Å; N120-I127 HydrophobicContact CB-CG2 4.11Å; N124-I127 HydrophobicContact CB-CB 4.18Å; N124-I127 HydrophobicContact CB-CG1 4.11Å; N124-I127 PolarHBondContact O-N 3.12Å; N124-I127 PolarHBondContact OD1-N 3.1Å; I127-R129 PolarHBondContact O-N 3.24Å; I127-L130 WeakPolarHBondContact O-CB 3.24Å; I127-L130 PolarHBondContact O-N 2.85Å; I127-V131 HydrophobicContact CG2-CG2 4.42Å; I127-V131 WeakPolarHBondContact O-CG2 3.39Å; I127-V131 PolarHBondContact O-N 2.89Å; I127-L324 HydrophobicContact CD1-CD1 3.93Å; I127-L324 HydrophobicContact CD1-CD2 3.47Å; I127-L324 VanDerWaalsContact CD1-CD2 3.47Å; I127-L324 HydrophobicContact CD1-CG 4.36Å
128T98.2Very high97.4Very high27 Ų2735 Ų3517%0.16619%0.191CC..Hα-helixtrans-61.7-45178.6-56.20000111.1Y121 G122 N124 Y126 L130 V131 N132Y121-T128 HydrophobicContact CD2-CG2 4.19Å; Y121-T128 HydrophobicContact CE2-CG2 3.9Å; G122-T128 PolarHBondContact N-OG1 3.22Å; N124-T128 VanDerWaalsContact O-CB 3.29Å; N124-T128 WeakPolarHBondContact O-CB 3.24Å; N124-T128 PolarHBondContact O-N 3.12Å; N124-T128 PolarHBondContact O-OG1 2.82Å; Y126-T128 VanDerWaalsContact C-N 3.32Å; Y126-T128 PolarHBondContact O-N 3.25Å; T128-L130 VanDerWaalsContact C-N 3.33Å; T128-L130 PolarHBondContact O-N 2.94Å; T128-V131 PolarHBondContact O-N 3.41Å; T128-N132 VanDerWaalsContact O-CB 3.28Å; T128-N132 WeakPolarHBondContact O-CB 3.31Å; T128-N132 PolarHBondContact O-N 3.29Å; T128-N132 PolarHBondContact O-ND2 3.19Å; T128-N132 PolarHBondContact O-OD1 2.73Å
129R96.4Very high97.4Very high121 Ų12135 Ų3546%0.45719%0.191SC..Hα-helixtrans-60.9-43.2174.6-175.918068.2-128.65.7111.6E125 Y126 I127 N132 S133E125-R129 WeakPolarHBondContact O-CB 3.22Å; E125-R129 PolarHBondContact O-N 3.06Å; Y126-R129 PolarHBondContact O-N 3.37Å; I127-R129 PolarHBondContact O-N 3.24Å; R129-N132 PolarHBondContact O-N 3.04Å; R129-S133 WeakPolarHBondContact O-CB 3.27Å; R129-S133 PolarHBondContact O-N 3.38Å; R129-S133 PolarHBondContact O-OG 3.13Å
130L95.8Very high97.4Very high0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-60.8-48.4-179.3-163.463.2000111.1L117 Y126 I127 T128 N132 S133 T134 I136 L324 I327 D328L117-L130 HydrophobicContact CD2-CD2 4.16Å; Y126-L130 HydrophobicContact CE1-CD2 4.26Å; Y126-L130 WeakPolarHBondContact O-CB 3.45Å; Y126-L130 PolarHBondContact O-N 2.75Å; I127-L130 WeakPolarHBondContact O-CB 3.24Å; I127-L130 PolarHBondContact O-N 2.85Å; T128-L130 VanDerWaalsContact C-N 3.33Å; T128-L130 PolarHBondContact O-N 2.94Å; L130-N132 PolarHBondContact O-N 3.46Å; L130-S133 PolarHBondContact O-N 2.85Å; L130-S133 PolarHBondContact O-OG 3.48Å; L130-T134 WeakPolarHBondContact O-CB 3.33Å; L130-T134 PolarHBondContact O-N 3.08Å; L130-T134 PolarHBondContact O-OG1 3.43Å; L130-I136 HydrophobicContact CD2-CD1 4.48Å; L130-I136 HydrophobicContact CG-CD1 4.2Å; L130-L324 HydrophobicContact CD2-CD2 4.03Å; L130-I327 HydrophobicContact CD1-CB 4.27Å; L130-I327 HydrophobicContact CD1-CG2 3.62Å; L130-I327 HydrophobicContact CD2-CB 4.15Å; L130-I327 HydrophobicContact CD2-CD1 4.41Å; L130-I327 HydrophobicContact CD2-CG2 3.76Å; L130-I327 HydrophobicContact CG-CG2 3.74Å; L130-D328 HydrophobicContact CD1-CB 4.2Å
131V96.9Very high97.4Very high0 Ų033.3 Ų33.30%018%0.184CC..Hα-helixtrans-66.7-34.7177174.60000112.5I61 I81 S82 T83 L117 Y121 I127 T128 S133I61-V131 HydrophobicContact CB-CG1 4.21Å; I61-V131 HydrophobicContact CD1-CG1 4.34Å; I61-V131 HydrophobicContact CG2-CG1 3.97Å; I81-V131 HydrophobicContact CG2-CG1 4.11Å; I81-V131 HydrophobicContact CG2-CG2 3.97Å; S82-V131 WeakPolarHBondContact CA-O 3.47Å; T83-V131 PolarHBondContact N-O 3.34Å; L117-V131 HydrophobicContact CD2-CG2 4.37Å; Y121-V131 HydrophobicContact CD2-CB 3.68Å; Y121-V131 HydrophobicContact CD2-CG1 3.67Å; Y121-V131 HydrophobicContact CD2-CG2 4.1Å; Y121-V131 HydrophobicContact CE2-CB 3.82Å; Y121-V131 HydrophobicContact CE2-CG1 3.61Å; I127-V131 HydrophobicContact CG2-CG2 4.42Å; I127-V131 WeakPolarHBondContact O-CG2 3.39Å; I127-V131 PolarHBondContact O-N 2.89Å; T128-V131 PolarHBondContact O-N 3.41Å; V131-S133 VanDerWaalsContact C-N 3.33Å
132N95.3Very high97.4Very high76 Ų7630.2 Ų30.241%0.40617%0.172SC..Hα-helixtrans-73.4-23.8178.6-74.7-7.5000114.2T83 Y121 T128 R129 L130T83-N132 HydrophobicContact CG2-CB 4.34Å; T83-N132 VanDerWaalsContact CG2-OD1 3.24Å; T83-N132 WeakPolarHBondContact CG2-OD1 3.42Å; Y121-N132 WeakPolarHBondContact CE2-OD1 3.45Å; Y121-N132 PolarHBondContact OH-OD1 2.94Å; T128-N132 VanDerWaalsContact O-CB 3.28Å; T128-N132 WeakPolarHBondContact O-CB 3.31Å; T128-N132 PolarHBondContact O-N 3.29Å; T128-N132 PolarHBondContact O-ND2 3.19Å; T128-N132 PolarHBondContact O-OD1 2.73Å; R129-N132 PolarHBondContact O-N 3.04Å; L130-N132 PolarHBondContact O-N 3.46Å
133S93.3Very high97.5Very high46 Ų4627 Ų2732%0.32214%0.139SC..Hα-helixtrans-108.9-13.9-173.956.30000113.3R129 L130 V131 H331R129-S133 WeakPolarHBondContact O-CB 3.27Å; R129-S133 PolarHBondContact O-N 3.38Å; R129-S133 PolarHBondContact O-OG 3.13Å; L130-S133 PolarHBondContact O-N 2.85Å; L130-S133 PolarHBondContact O-OG 3.48Å; V131-S133 VanDerWaalsContact C-N 3.33Å; S133-H331 PolarHBondContact O-CE1 2.91Å; S133-H331 PolarHBondContact OG-NE2 3.33Å
134T94.6Very high97.5Very high0 Ų023.4 Ų23.40%011%0.114CC..  trans-132.7135.1-167.6-41.20000111.1L93 L130 I136 I327 V330 H331L93-T134 HydrophobicContact CD2-CG2 3.37Å; L93-T134 HydrophobicContact CG-CG2 4.07Å; L130-T134 WeakPolarHBondContact O-CB 3.33Å; L130-T134 PolarHBondContact O-N 3.08Å; L130-T134 PolarHBondContact O-OG1 3.43Å; T134-I136 HydrophobicContact CG2-CG1 3.75Å; T134-I136 PolarHBondContact O-N 3.27Å; T134-I327 HydrophobicContact CG2-CG2 4.26Å; T134-V330 HydrophobicContact CG2-CG1 3.8Å; T134-H331 PolarHBondContact OG1-NE2 2.91Å
135R95.8Very high97.5Very high20 Ų2022.9 Ų22.98%0.07511%0.111CC..EExtended strand (participates in β ladder)trans-93.297168.3-165.6-179.5-178.4-153.12.5110.8P85 R87 E89 G91 S92 L93 H137P85-R135 PolarHBondContact O-NH2 2.79Å; R87-R135 PolarHBondContact O-NE 2.77Å; R87-R135 PolarHBondContact O-NH1 3.44Å; E89-R135 HydrophobicContact CB-CB 4.37Å; G91-R135 PolarHBondContact O-N 2.84Å; S92-R135 WeakPolarHBondContact CA-O 3.48Å; L93-R135 PolarHBondContact N-O 2.87Å; R135-H137 PolarHBondContact NE-NE2 3.37Å
136I98Very high97.6Very high0 Ų014.8 Ų14.80%07%0.074CC..EExtended strand (participates in β ladder)trans-92.4119.3-172.8-51.8169.3000108.4A80 I81 L93 L117 L130 T134 I138 I327A80-I136 CarbonylContact C-O 3.46Å; A80-I136 WeakPolarHBondContact CA-O 3.23Å; I81-I136 PolarHBondContact N-O 3.18Å; I81-I136 PolarHBondContact O-N 3.04Å; L93-I136 HydrophobicContact CD1-CG2 4.13Å; L117-I136 HydrophobicContact CD1-CD1 4.03Å; L117-I136 HydrophobicContact CD1-CG2 4.32Å; L117-I136 HydrophobicContact CD2-CD1 4.08Å; L130-I136 HydrophobicContact CD2-CD1 4.48Å; L130-I136 HydrophobicContact CG-CD1 4.2Å; T134-I136 HydrophobicContact CG2-CG1 3.75Å; T134-I136 PolarHBondContact O-N 3.27Å; I136-I138 HydrophobicContact CG2-CD1 4.11Å; I136-I138 HydrophobicContact CG2-CG1 3.96Å; I136-I327 HydrophobicContact CD1-CG2 3.72Å; I136-I327 HydrophobicContact CG1-CG2 3.87Å; I136-I327 HydrophobicContact CG2-CD1 4.47Å
137H98.6Very high97.6Very high0 Ų014.4 Ų14.40%07%0.072CC..EExtended strand (participates in β ladder)trans-109.8125.4173.5-68.5-88.1000111.4Y65 V78 A80 L93 K94 L95 R135 W195 F201Y65-H137 AromaticContact CE1-ND1 3.77Å; Y65-H137 AromaticContact CZ-ND1 3.73Å; Y65-H137 PolarHBondContact OH-CE1 2.95Å; Y65-H137 VanDerWaalsContact OH-CE1 3.29Å; Y65-H137 PolarHBondContact OH-ND1 3.35Å; V78-H137 HydrophobicContact CG1-CB 4Å; A80-H137 WeakPolarHBondContact CB-ND1 3.44Å; L93-H137 PolarHBondContact O-N 3.02Å; K94-H137 CarbonylContact C-O 3.26Å; K94-H137 VanDerWaalsContact CA-O 3.23Å; K94-H137 WeakPolarHBondContact CA-O 3.3Å; K94-H137 HydrophobicContact CB-CB 4.35Å; L95-H137 PolarHBondContact N-O 2.85Å; R135-H137 PolarHBondContact NE-NE2 3.37Å; H137-W195 HydrophobicContact CB-CH2 4.33Å; H137-W195 HydrophobicContact CB-CZ2 3.72Å; H137-F201 HydrophobicContact CB-CE1 3.99Å; H137-F201 HydrophobicContact CB-CZ 4.28Å; H137-F201 AromaticContact CD2-CE1 3.53Å; H137-F201 AromaticContact CG-CE1 3.9Å
138I98.9Very high97.6Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-118.9118.1-177-61.9175.2000109.2V78 L79 I81 L110 L113 I114 L117 I136 P140V78-I138 VanDerWaalsContact CA-O 3.28Å; V78-I138 WeakPolarHBondContact CA-O 3.32Å; L79-I138 PolarHBondContact N-O 3.28Å; L79-I138 PolarHBondContact O-N 2.84Å; I81-I138 HydrophobicContact CD1-CD1 4.47Å; L110-I138 HydrophobicContact CB-CG2 3.67Å; L110-I138 HydrophobicContact CD1-CG2 4.14Å; L110-I138 HydrophobicContact CD2-CG2 3.97Å; L110-I138 HydrophobicContact CG-CG2 4.1Å; L113-I138 HydrophobicContact CD2-CD1 3.87Å; L113-I138 HydrophobicContact CG-CD1 4.11Å; I114-I138 HydrophobicContact CD1-CB 4.17Å; I114-I138 HydrophobicContact CD1-CG2 3.85Å; I114-I138 HydrophobicContact CG1-CB 4.23Å; I114-I138 HydrophobicContact CG1-CD1 3.66Å; I114-I138 HydrophobicContact CG1-CG2 4.11Å; L117-I138 HydrophobicContact CD1-CD1 3.94Å; I136-I138 HydrophobicContact CG2-CD1 4.11Å; I136-I138 HydrophobicContact CG2-CG1 3.96Å; I138-P140 HydrophobicContact CG2-CG 4.13Å; I138-P140 WeakPolarHBondContact O-CD 3.46Å
139L98.9Very high97.6Very high0 Ų020.7 Ų20.70%010%0.103CC..EExtended strand (participates in β ladder)trans-106.493.9170176.557.2000108.2I67 L76 L77 V78 L95 V96 G97 S141 M142 V192 W195I67-L139 HydrophobicContact CD1-CD2 3.74Å; L76-L139 HydrophobicContact CB-CD1 4.18Å; L77-L139 VanDerWaalsContact O-CD1 3.26Å; L77-L139 WeakPolarHBondContact O-CD1 3.25Å; V78-L139 HydrophobicContact CG2-CB 4.03Å; V78-L139 HydrophobicContact CG2-CD1 3.98Å; V78-L139 HydrophobicContact CG2-CG 4.46Å; L95-L139 PolarHBondContact O-N 3.47Å; V96-L139 WeakPolarHBondContact CA-O 3.06Å; V96-L139 HydrophobicContact CG1-CD2 3.96Å; V96-L139 HydrophobicContact CG1-CG 4.34Å; V96-L139 HydrophobicContact CG2-CB 4.33Å; V96-L139 HydrophobicContact CG2-CD2 4.37Å; G97-L139 PolarHBondContact N-O 2.8Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.13Å; L139-M142 HydrophobicContact CD2-CB 4.14Å; L139-V192 HydrophobicContact CD2-CG2 4.14Å; L139-W195 HydrophobicContact CB-CH2 4.16Å; L139-W195 HydrophobicContact CB-CZ3 4.22Å; L139-W195 HydrophobicContact CD2-CZ3 4.02Å
140P98.9Very high97.7Very high0 Ų015.5 Ų15.50%09%0.086CC..SBendtrans-65.2-29.4-174.4-21.232.6000113.8L47 M51 L77 G97 R107 L110 L111 I114 I138L47-P140 HydrophobicContact CD1-CB 4.18Å; M51-P140 HydrophobicContact CE-CG 3.81Å; M51-P140 HydrophobicContact SD-CG 3.78Å; L77-P140 WeakPolarHBondContact O-CD 3.37Å; G97-P140 CarbonylContact C-O 3.55Å; R107-P140 VanDerWaalsContact CA-O 3.26Å; R107-P140 WeakPolarHBondContact CA-O 3.3Å; R107-P140 WeakPolarHBondContact CB-O 3.35Å; R107-P140 HydrophobicContact CG-CB 4.38Å; L110-P140 HydrophobicContact CB-CB 4.24Å; L111-P140 HydrophobicContact CD2-CB 3.92Å; L111-P140 HydrophobicContact CD2-CG 3.73Å; L111-P140 HydrophobicContact CG-CB 4.19Å; L111-P140 HydrophobicContact CG-CG 4.45Å; I114-P140 HydrophobicContact CD1-CG 4.3Å; I138-P140 HydrophobicContact CG2-CG 4.13Å; I138-P140 WeakPolarHBondContact O-CD 3.46Å
141S98.8Very high97.7Very high6 Ų619.9 Ų19.94%0.04211%0.113CC..  trans-143.5111.3-180-174.10000111.3G97 N98 R107 L139 P144G97-S141 WeakPolarHBondContact O-CA 3.32Å; N98-S141 PolarHBondContact OD1-OG 3.32Å; R107-S141 PolarHBondContact NH1-OG 3.14Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.13Å; S141-P144 WeakPolarHBondContact OG-CA 3.49Å
142M98.8Very high97.8Very high0 Ų023.9 Ų23.90%013%0.131CC..SBendtrans-79.7-29.5169.1178.5-177.5175.500111.6V96 G97 M99 L139 P144 L169 F173 E188 A189 V192 M284V96-M142 HydrophobicContact CG1-CB 3.94Å; V96-M142 HydrophobicContact CG1-SD 4.37Å; G97-M142 PolarHBondContact O-N 2.89Å; M99-M142 HydrophobicContact CB-CB 4Å; M99-M142 HydrophobicContact CB-CG 4.2Å; M99-M142 HydrophobicContact CB-SD 3.61Å; M99-M142 HydrophobicContact CE-SD 4.22Å; L139-M142 HydrophobicContact CD2-CB 4.14Å; M142-P144 VanDerWaalsContact C-CD 3.4Å; M142-P144 WeakPolarHBondContact O-CD 3.38Å; M142-L169 HydrophobicContact CE-CB 4.41Å; M142-L169 HydrophobicContact CE-CD1 4.36Å; M142-L169 HydrophobicContact CG-CD1 4.49Å; M142-F173 HydrophobicContact CE-CE2 4.08Å; M142-F173 HydrophobicContact CE-CZ 3.79Å; M142-E188 HydrophobicContact CE-CB 4.3Å; M142-E188 HydrophobicContact CG-CB 4.4Å; M142-E188 WeakPolarHBondContact O-CG 3.37Å; M142-A189 HydrophobicContact CE-CB 4.36Å; M142-V192 HydrophobicContact CE-CB 4.17Å; M142-V192 HydrophobicContact CE-CG2 3.72Å; M142-V192 HydrophobicContact CG-CG2 4Å; M142-V192 HydrophobicContact SD-CG2 3.8Å; M142-M284 HydrophobicContact SD-SD 4.1Å
143N98.9Very high97.8Very high0 Ų021.3 Ų21.30%012%0.123CC..  trans-119.969.3178.3-172.68.3000112N98 M99 G101 D145 G146 Y147 R161 N162 N163 L169N98-N143 WeakPolarHBondContact O-CB 3.47Å; N98-N143 PolarHBondContact O-N 3.13Å; M99-N143 WeakPolarHBondContact O-CB 3.5Å; M99-N143 PolarHBondContact O-ND2 3.21Å; G101-N143 PolarHBondContact N-ND2 3.3Å; N143-D145 PolarHBondContact O-N 2.91Å; N143-G146 PolarHBondContact O-N 2.92Å; N143-G146 PolarHBondContact OD1-N 2.9Å; N143-Y147 PolarHBondContact O-N 3.42Å; N143-R161 PolarHBondContact ND2-O 3.42Å; N143-R161 VanDerWaalsContact ND2-O 3.09Å; N143-N162 PolarHBondContact ND2-O 3.31Å; N143-N163 PolarHBondContact ND2-N 3.4Å; N143-N163 WeakPolarHBondContact OD1-CA 3.32Å; N143-L169 HydrophobicContact CB-CD1 3.78Å
144P98.8Very high97.9Very high1 Ų120.8 Ų20.81%0.00612%0.117CC..Hα-helixtrans-64.7-26.6179.328.1-36.2000112.1Y44 R74 L76 S141 M142 Y147 E148Y44-P144 HydrophobicContact CD2-CB 3.77Å; Y44-P144 HydrophobicContact CE2-CB 4.22Å; R74-P144 HydrophobicContact CB-CB 4.25Å; R74-P144 HydrophobicContact CB-CG 3.82Å; L76-P144 HydrophobicContact CD1-CG 4.4Å; S141-P144 WeakPolarHBondContact OG-CA 3.49Å; M142-P144 VanDerWaalsContact C-CD 3.4Å; M142-P144 WeakPolarHBondContact O-CD 3.38Å; P144-Y147 PolarHBondContact O-N 2.93Å; P144-E148 WeakPolarHBondContact O-CG 3.21Å; P144-E148 PolarHBondContact O-N 2.81Å; P144-E148 VanDerWaalsContact O-N 3.14Å
145D98.9Very high97.7Very high3 Ų325.9 Ų25.92%0.01614%0.136CC..Hα-helixtrans-67.8-48.2177.9-68.70.2000112.2S70 V71 Q72 R74 N143 Y147 E148 N149 S164S70-D145 WeakPolarHBondContact CB-OD1 3.45Å; S70-D145 PolarHBondContact OG-OD1 2.76Å; S70-D145 VanDerWaalsContact OG-OD1 3.05Å; V71-D145 PolarHBondContact N-OD2 2.87Å; Q72-D145 WeakPolarHBondContact CB-OD2 3.31Å; Q72-D145 WeakPolarHBondContact CG-OD2 3.35Å; Q72-D145 PolarHBondContact N-OD2 3.27Å; R74-D145 IonicContact CZ-OD1 3.84Å; R74-D145 IonicContact NH1-OD1 3.21Å; R74-D145 PolarHBondContact NH1-OD1 2.88Å; N143-D145 PolarHBondContact O-N 2.91Å; D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.1Å; D145-E148 PolarHBondContact O-N 2.92Å; D145-N149 PolarHBondContact O-N 3.22Å; D145-S164 PolarHBondContact OD2-OG 3.42Å
146G98.7Very high97.5Very high3 Ų331 Ų313%0.03116%0.164CC..Hα-helixtrans-60.6-38.7175.700000111.6N143 N149 A150 G160N143-G146 PolarHBondContact O-N 2.92Å; N143-G146 PolarHBondContact OD1-N 2.9Å; G146-N149 CarbonylContact O-C 3.45Å; G146-N149 PolarHBondContact O-N 3.03Å; G146-N149 VanDerWaalsContact O-N 3.15Å; G146-A150 PolarHBondContact O-N 3.04Å; G146-G160 CarbonylContact C-O 3.55Å; G146-G160 VanDerWaalsContact C-O 3.22Å; G146-G160 WeakPolarHBondContact CA-O 3.31Å; G146-G160 CarbonylContact O-C 3.52Å; G146-G160 WeakPolarHBondContact O-CA 3.26Å
147Y98.6Very high97.2Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-59.9-48.3176.1176.7-82.7000112.5H41 H42 H43 G101 V104 R107 E108 N143 P144 D145 N149 A150H41-Y147 WeakPolarHBondContact CB-OH 3.41Å; H42-Y147 PolarHBondContact N-OH 3.47Å; H42-Y147 PolarHBondContact O-OH 3.42Å; H43-Y147 AromaticContact ND1-CE1 3.87Å; G101-Y147 VanDerWaalsContact O-CA 3.25Å; G101-Y147 WeakPolarHBondContact O-CA 3.49Å; V104-Y147 HydrophobicContact CB-CE2 4.29Å; V104-Y147 HydrophobicContact CG1-CD2 4.49Å; V104-Y147 HydrophobicContact CG1-CE2 3.7Å; V104-Y147 HydrophobicContact CG2-CD2 3.84Å; V104-Y147 HydrophobicContact CG2-CE2 3.77Å; R107-Y147 VanDerWaalsContact NH1-CD1 3.3Å; E108-Y147 PolarHBondContact OE1-OH 3.23Å; N143-Y147 PolarHBondContact O-N 3.42Å; P144-Y147 PolarHBondContact O-N 2.93Å; D145-Y147 VanDerWaalsContact C-N 3.26Å; D145-Y147 PolarHBondContact O-N 3.1Å; Y147-N149 PolarHBondContact O-N 2.66Å; Y147-N149 VanDerWaalsContact O-N 3.13Å; Y147-A150 WeakPolarHBondContact O-CB 3.27Å; Y147-A150 PolarHBondContact O-N 3.29Å
148E98.6Very high97Very high57 Ų5740.3 Ų40.327%0.26621%0.206SC..Hα-helixtrans-64.8-17.6179.2-64.4-55141.900112.9H43 Y44 P144 D145H43-E148 IonicContact CE1-OE2 3.98Å; H43-E148 IonicContact CG-OE2 2.84Å; H43-E148 IonicContact ND1-OE1 2.83Å; H43-E148 IonicContact ND1-OE2 3.79Å; H43-E148 PolarHBondContact ND1-OE2 2.92Å; Y44-E148 VanDerWaalsContact CB-OE1 3.24Å; Y44-E148 WeakPolarHBondContact CB-OE1 3.5Å; Y44-E148 PolarHBondContact N-OE1 3.08Å; P144-E148 WeakPolarHBondContact O-CG 3.21Å; P144-E148 PolarHBondContact O-N 2.81Å; P144-E148 VanDerWaalsContact O-N 3.14Å; D145-E148 PolarHBondContact O-N 2.92Å
149N98.3Very high96.9Very high101 Ų10144.1 Ų44.154%0.5423%0.229SC..Hα-helixtrans-94.8-11175-172.872.5000113.2D145 G146 Y147 V159 G160D145-N149 PolarHBondContact O-N 3.22Å; G146-N149 CarbonylContact O-C 3.45Å; G146-N149 PolarHBondContact O-N 3.03Å; G146-N149 VanDerWaalsContact O-N 3.15Å; Y147-N149 PolarHBondContact O-N 2.66Å; Y147-N149 VanDerWaalsContact O-N 3.13Å; N149-V159 WeakPolarHBondContact O-CG1 3.49Å; N149-G160 PolarHBondContact ND2-N 3.32Å
150A98Very high96.9Very high13 Ų1344.4 Ų44.411%0.10723%0.232CC..  trans-79.9160-178.600000111.7N102 G146 Y147 Y306N102-A150 HydrophobicContact CB-CB 3.66Å; G146-A150 PolarHBondContact O-N 3.04Å; Y147-A150 WeakPolarHBondContact O-CB 3.27Å; Y147-A150 PolarHBondContact O-N 3.29Å; A150-Y306 HydrophobicContact CB-CD2 3.64Å; A150-Y306 HydrophobicContact CB-CE2 3.75Å
151V97Very high96.9Very high91 Ų9145.8 Ų45.855%0.55224%0.237SC*.  trans-122127.4-173.6-176.90000111D154 Y306V151-D154 VanDerWaalsContact O-CB 3.31Å; V151-D154 WeakPolarHBondContact O-CB 3.34Å; V151-D154 PolarHBondContact O-N 2.01Å; V151-Y306 WeakPolarHBondContact O-CB 3.32Å; V151-Y306 VanDerWaalsContact O-CD2 3.26Å; V151-Y306 WeakPolarHBondContact O-CD2 3.44Å
152E97.8Very high96.8Very high84 Ų8447.3 Ų47.339%0.39325%0.245SC..THydrogen-bonded Turntrans-60.3138.5177.1-173.7-179.1-159.100112.5H41 D154 Y306 Y308 A309H41-E152 IonicContact CD2-OE1 3.76Å; H41-E152 PolarHBondContact CD2-OE1 3.5Å; H41-E152 IonicContact NE2-OE1 3.88Å; H41-E152 PolarHBondContact NE2-OE1 3.09Å; E152-D154 VanDerWaalsContact C-N 3.32Å; E152-Y306 VanDerWaalsContact CA-CD1 3.48Å; E152-Y306 HydrophobicContact CB-CD1 3.94Å; E152-Y306 HydrophobicContact CB-CE1 3.72Å; E152-Y306 HydrophobicContact CG-CD1 4.05Å; E152-Y306 HydrophobicContact CG-CE1 3.97Å; E152-Y308 HydrophobicContact CG-CD1 3.92Å; E152-Y308 HydrophobicContact CG-CE1 4.44Å; E152-Y308 VanDerWaalsContact OE1-CA 3.26Å; E152-Y308 WeakPolarHBondContact OE1-CA 3.49Å; E152-A309 PolarHBondContact OE1-N 3.04Å
153G96.2Very high96.8Very high23 Ų2347.6 Ų47.624%0.23725%0.246CC..THydrogen-bonded Turntrans89.6-5.2-176.900000113.4R155 Y306G153-R155 PolarHBondContact O-N 3.26Å; G153-Y306 CarbonylContact C-O 3.57Å; G153-Y306 VanDerWaalsContact CA-O 3.31Å; G153-Y306 WeakPolarHBondContact CA-O 3.26Å; G153-Y306 PolarHBondContact N-O 3.02Å
154D94.1Very high96.8Very high35 Ų3550.1 Ų50.119%0.18726%0.264CS..  trans-67.3121.4174.6-174.513.9000111.3V151 E152 I156 G157 K305 Y306V151-D154 VanDerWaalsContact O-CB 3.31Å; V151-D154 WeakPolarHBondContact O-CB 3.34Å; V151-D154 PolarHBondContact O-N 2.01Å; E152-D154 VanDerWaalsContact C-N 3.32Å; D154-I156 PolarHBondContact OD1-N 2.82Å; D154-G157 WeakPolarHBondContact OD1-CA 2.96Å; D154-G157 PolarHBondContact OD1-N 3.07Å; D154-G157 WeakPolarHBondContact OD2-CA 3.46Å; D154-G157 PolarHBondContact OD2-N 2.82Å; D154-K305 PolarHBondContact O-N 3.03Å; D154-Y306 PolarHBondContact N-O 2.93Å; D154-Y306 PolarHBondContact O-N 3.39Å
155R91.7Very high96.8Very high106 Ų10657 Ų5740%0.429%0.29SS..SBendtrans-92-41.1179.6-172.8-177.9170.3-152-4.9112.9G153 C258 F304 K305G153-R155 PolarHBondContact O-N 3.26Å; R155-C258 PolarHBondContact NH2-O 3.12Å; R155-F304 HydrophobicContact CB-CD1 3.79Å; R155-F304 HydrophobicContact CB-CE1 4.11Å; R155-F304 HydrophobicContact CG-CD1 3.64Å; R155-F304 HydrophobicContact CG-CE1 3.83Å; R155-F304 HydrophobicContact CG-CG 4.15Å; R155-F304 HydrophobicContact CG-CZ 4.49Å; R155-K305 WeakPolarHBondContact O-CG 3.17Å; R155-K305 PolarHBondContact O-N 3.45Å
156I90.7Very high96.7Very high129 Ų12962.9 Ų62.966%0.66232%0.321SS*.SBendtrans-135.6-3.8-165.262.4170.5000113.9D154D154-I156 PolarHBondContact OD1-N 2.82Å
157G91.9Very high96.7Very high19 Ų1965.1 Ų65.120%0.19633%0.33CS..  trans-72.7174.5-174.800000113.6N102 D154N102-G157 PolarHBondContact ND2-O 3.23Å; D154-G157 WeakPolarHBondContact OD1-CA 2.96Å; D154-G157 PolarHBondContact OD1-N 3.07Å; D154-G157 WeakPolarHBondContact OD2-CA 3.46Å; D154-G157 PolarHBondContact OD2-N 2.82Å
158Y94.3Very high96.7Very high175 Ų17566.3 Ų66.369%0.68634%0.336SS*.  trans-117-0.8-178.4-63.3-89.3000112.3G160 R161Y158-G160 PolarHBondContact O-N 3.47Å; Y158-R161 VanDerWaalsContact O-CB 3.23Å; Y158-R161 WeakPolarHBondContact O-CB 3.42Å; Y158-R161 PolarHBondContact O-N 3.4Å
159V97.6Very high96.7Very high81 Ų8163.6 Ų63.649%0.49132%0.324SS..THydrogen-bonded Turntrans-66.6117.2-179.1178.70000108.8N102 N149 R161N102-V159 WeakPolarHBondContact CB-O 2.82Å; N149-V159 WeakPolarHBondContact O-CG1 3.49Å; V159-R161 VanDerWaalsContact C-N 3.35Å
160G97.9Very high96.6Very high5 Ų559 Ų595%0.05230%0.299CS..THydrogen-bonded Turntrans83.83-175.100000114.8G101 N102 G146 N149 Y158G101-G160 CarbonylContact C-O 3.59Å; G101-G160 VanDerWaalsContact C-O 3.26Å; G101-G160 WeakPolarHBondContact CA-O 3.45Å; G101-G160 PolarHBondContact N-O 2.79Å; G101-G160 VanDerWaalsContact N-O 3.11Å; N102-G160 PolarHBondContact N-O 2.87Å; G146-G160 CarbonylContact C-O 3.55Å; G146-G160 VanDerWaalsContact C-O 3.22Å; G146-G160 WeakPolarHBondContact CA-O 3.31Å; G146-G160 CarbonylContact O-C 3.52Å; G146-G160 WeakPolarHBondContact O-CA 3.26Å; N149-G160 PolarHBondContact ND2-N 3.32Å; Y158-G160 PolarHBondContact O-N 3.47Å
161R98.5Very high96.6Very high30 Ų3061.7 Ų61.711%0.11331%0.307CS..THydrogen-bonded Turntrans-61.9-58.9174179.8-172.6170.393.1-6.3111.3H100 G101 N102 E103 N143 Y158 V159 D168H100-R161 VanDerWaalsContact CA-O 3.26Å; H100-R161 WeakPolarHBondContact CA-O 3.35Å; H100-R161 HydrophobicContact CB-CG 3.92Å; H100-R161 PolarHBondContact CE1-NH1 3.29Å; H100-R161 PolarHBondContact CE1-NH2 2.94Å; H100-R161 PolarHBondContact ND1-NH1 3.43Å; H100-R161 VanDerWaalsContact ND1-NH1 3.16Å; H100-R161 PolarHBondContact NE2-NH2 3.44Å; G101-R161 PolarHBondContact N-O 2.82Å; G101-R161 VanDerWaalsContact N-O 3.08Å; N102-R161 WeakPolarHBondContact OD1-CA 3.35Å; N102-R161 WeakPolarHBondContact OD1-CB 3.31Å; E103-R161 IonicContact OE1-NH1 2.79Å; E103-R161 PolarHBondContact OE1-NH1 3.22Å; N143-R161 PolarHBondContact ND2-O 3.42Å; N143-R161 VanDerWaalsContact ND2-O 3.09Å; Y158-R161 VanDerWaalsContact O-CB 3.23Å; Y158-R161 WeakPolarHBondContact O-CB 3.42Å; Y158-R161 PolarHBondContact O-N 3.4Å; V159-R161 VanDerWaalsContact C-N 3.35Å; R161-D168 IonicContact CZ-OD2 2.89Å; R161-D168 IonicContact NE-OD2 3.81Å; R161-D168 PolarHBondContact NE-OD2 2.98Å; R161-D168 VanDerWaalsContact NE-OD2 3.13Å; R161-D168 IonicContact NH2-OD2 3.71Å; R161-D168 PolarHBondContact NH2-OD2 3.32Å
162N98.6Very high96.6Very high38 Ų3857.8 Ų57.820%0.20328%0.283CS..SBendtrans-72.8167.6-176.4-68.66.6000110.9N143 N166 F167N143-N162 PolarHBondContact ND2-O 3.31Å; N162-N166 PolarHBondContact ND2-O 3.39Å; N162-N166 PolarHBondContact ND2-OD1 2.68Å; N162-F167 WeakPolarHBondContact CA-O 3.49Å; N162-F167 VanDerWaalsContact CB-O 3.3Å; N162-F167 WeakPolarHBondContact CB-O 3.26Å
163N98.5Very high96.6Very high6 Ų654 Ų543%0.03227%0.265CS..  trans-68.3177.2170.178.3-7000111N143 R165 N166 F167 L169 Q186 E188N143-N163 PolarHBondContact ND2-N 3.4Å; N143-N163 WeakPolarHBondContact OD1-CA 3.32Å; N163-R165 PolarHBondContact O-N 2.65Å; N163-R165 VanDerWaalsContact O-N 3.14Å; N163-R165 WeakPolarHBondContact OD1-CA 3.47Å; N163-R165 PolarHBondContact OD1-N 3.33Å; N163-R165 VanDerWaalsContact OD1-N 3.07Å; N163-N166 WeakPolarHBondContact O-CA 3.11Å; N163-N166 PolarHBondContact O-N 3.03Å; N163-N166 PolarHBondContact OD1-N 3.41Å; N163-F167 PolarHBondContact N-O 2.98Å; N163-F167 PolarHBondContact OD1-N 3.47Å; N163-L169 HydrophobicContact CB-CD1 4.27Å; N163-L169 HydrophobicContact CB-CD2 4.23Å; N163-L169 HydrophobicContact CB-CG 4.2Å; N163-Q186 PolarHBondContact ND2-OE1 2.95Å; N163-E188 PolarHBondContact ND2-OE2 3.32Å; N163-E188 VanDerWaalsContact ND2-OE2 3.16Å
164S98.2Very high96.4Very high53 Ų5356 Ų5637%0.37127%0.273SS..THydrogen-bonded Turntrans-68.6-9.9-178.954.20000114.8V71 D145 N166V71-S164 WeakPolarHBondContact CB-OG 3.5Å; V71-S164 WeakPolarHBondContact CG1-OG 3.37Å; D145-S164 PolarHBondContact OD2-OG 3.42Å; S164-N166 VanDerWaalsContact C-N 3.32Å
165R98.1Very high96.1Very high146 Ų14655 Ų5555%0.55127%0.269SS*.THydrogen-bonded Turntrans-927.4167.1-73.5175.4-174.6-178.72.5113.1V71 N163 F167V71-R165 HydrophobicContact CB-CG 4.49Å; V71-R165 HydrophobicContact CG1-CG 3.81Å; V71-R165 HydrophobicContact CG2-CG 3.91Å; N163-R165 PolarHBondContact O-N 2.65Å; N163-R165 VanDerWaalsContact O-N 3.14Å; N163-R165 WeakPolarHBondContact OD1-CA 3.47Å; N163-R165 PolarHBondContact OD1-N 3.33Å; N163-R165 VanDerWaalsContact OD1-N 3.07Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 HydrophobicContact CB-CD2 3.71Å; R165-F167 HydrophobicContact CB-CE2 4.05Å; R165-F167 WeakPolarHBondContact O-CD2 3.28Å; R165-F167 PolarHBondContact O-N 2.94Å
166N97.9Very high95.8Very high126 Ų12653.2 Ų53.267%0.67426%0.262SS*.SBendtrans63.827.2-179.7-160.640.2000114.9N162 N163 S164N162-N166 PolarHBondContact ND2-O 3.39Å; N162-N166 PolarHBondContact ND2-OD1 2.68Å; N163-N166 WeakPolarHBondContact O-CA 3.11Å; N163-N166 PolarHBondContact O-N 3.03Å; N163-N166 PolarHBondContact OD1-N 3.41Å; S164-N166 VanDerWaalsContact C-N 3.32Å
167F98.3Very high95.7Very high50 Ų5048.1 Ų48.122%0.21924%0.236CC..  trans-93.7138.4170.2-71.2-82.9000111.3N162 N163 R165 L169 D183 P184 Q186N162-F167 WeakPolarHBondContact CA-O 3.49Å; N162-F167 VanDerWaalsContact CB-O 3.3Å; N162-F167 WeakPolarHBondContact CB-O 3.26Å; N163-F167 PolarHBondContact N-O 2.98Å; N163-F167 PolarHBondContact OD1-N 3.47Å; R165-F167 VanDerWaalsContact C-N 3.3Å; R165-F167 HydrophobicContact CB-CD2 3.71Å; R165-F167 HydrophobicContact CB-CE2 4.05Å; R165-F167 WeakPolarHBondContact O-CD2 3.28Å; R165-F167 PolarHBondContact O-N 2.94Å; F167-L169 PolarHBondContact O-N 2.94Å; F167-D183 HydrophobicContact CD1-CB 4Å; F167-D183 HydrophobicContact CE1-CB 4.04Å; F167-P184 HydrophobicContact CE1-CG 3.89Å; F167-P184 HydrophobicContact CE2-CG 4.27Å; F167-P184 HydrophobicContact CZ-CG 3.58Å; F167-Q186 HydrophobicContact CB-CG 3.7Å; F167-Q186 HydrophobicContact CD2-CG 4.17Å; F167-Q186 HydrophobicContact CG-CG 4.01Å
168D97.9Very high95.5Very high24 Ų2451.9 Ų51.913%0.12826%0.256CS..  trans-75.8110.9170.6-171.9-30.2000108.8H100 R161 N170 R171H100-D168 IonicContact CD2-OD1 3.75Å; H100-D168 IonicContact NE2-OD1 2.68Å; H100-D168 PolarHBondContact NE2-OD1 2.74Å; H100-D168 VanDerWaalsContact NE2-OD1 3.08Å; H100-D168 IonicContact NE2-OD2 3.38Å; R161-D168 IonicContact CZ-OD2 2.89Å; R161-D168 IonicContact NE-OD2 3.81Å; R161-D168 PolarHBondContact NE-OD2 2.98Å; R161-D168 VanDerWaalsContact NE-OD2 3.13Å; R161-D168 IonicContact NH2-OD2 3.71Å; R161-D168 PolarHBondContact NH2-OD2 3.32Å; D168-N170 PolarHBondContact O-N 3.19Å; D168-N170 WeakPolarHBondContact OD1-CA 3.41Å; D168-N170 PolarHBondContact OD1-N 2.88Å; D168-R171 HydrophobicContact CB-CB 4.34Å; D168-R171 HydrophobicContact CB-CG 4.12Å; D168-R171 PolarHBondContact O-N 3.03Å; D168-R171 VanDerWaalsContact O-N 3.08Å
169L98.5Very high95.3Very high0 Ų049.3 Ų49.30%025%0.251CS..G310 helixtrans-66.1-23.7-179-65.3179.8000112.7M99 M142 N143 N163 F167 R171 N172 F173 Q186 E188M99-L169 HydrophobicContact CE-CB 4.19Å; M142-L169 HydrophobicContact CE-CB 4.41Å; M142-L169 HydrophobicContact CE-CD1 4.36Å; M142-L169 HydrophobicContact CG-CD1 4.49Å; N143-L169 HydrophobicContact CB-CD1 3.78Å; N163-L169 HydrophobicContact CB-CD1 4.27Å; N163-L169 HydrophobicContact CB-CD2 4.23Å; N163-L169 HydrophobicContact CB-CG 4.2Å; F167-L169 PolarHBondContact O-N 2.94Å; L169-R171 PolarHBondContact O-N 3.1Å; L169-N172 PolarHBondContact O-N 2.93Å; L169-F173 WeakPolarHBondContact O-CE2 2.95Å; L169-Q186 HydrophobicContact CD2-CB 3.71Å; L169-Q186 HydrophobicContact CD2-CG 4.03Å; L169-E188 HydrophobicContact CD1-CB 3.69Å; L169-E188 HydrophobicContact CD1-CG 4.02Å; L169-E188 HydrophobicContact CD2-CB 4.03Å
170N97.5Very high94.9Very high6 Ų649.7 Ų49.73%0.03225%0.246CC..G310 helixtrans-86.920.7174.5-156.720.8000112.6M99 H100 D168 G283 M284M99-N170 VanDerWaalsContact CE-CA 3.42Å; M99-N170 HydrophobicContact CE-CB 3.45Å; M99-N170 VanDerWaalsContact CE-CB 3.45Å; M99-N170 HydrophobicContact SD-CB 3.98Å; H100-N170 WeakPolarHBondContact NE2-CB 3.23Å; D168-N170 PolarHBondContact O-N 3.19Å; D168-N170 WeakPolarHBondContact OD1-CA 3.41Å; D168-N170 PolarHBondContact OD1-N 2.88Å; N170-G283 WeakPolarHBondContact OD1-CA 3.35Å; N170-M284 PolarHBondContact OD1-N 3.38Å
171R97.2Very high94.4Very high69 Ų6951.8 Ų51.826%0.2626%0.259SS..G310 helixtrans-132.65.6166.7-60.6-64.1-176.5-72.73.1112.2D168 L169 L280 S281 G282D168-R171 HydrophobicContact CB-CB 4.34Å; D168-R171 HydrophobicContact CB-CG 4.12Å; D168-R171 PolarHBondContact O-N 3.03Å; D168-R171 VanDerWaalsContact O-N 3.08Å; L169-R171 PolarHBondContact O-N 3.1Å; R171-L280 VanDerWaalsContact NH1-CG 3.26Å; R171-S281 WeakPolarHBondContact CD-O 3.34Å; R171-G282 CarbonylContact C-O 3.22Å; R171-G282 WeakPolarHBondContact CA-O 3.44Å
172N97.7Very high94Very high9 Ų954 Ų545%0.04829%0.291CS..  trans-104.92-166.2-163.5-116.8000114.3L169 P184 Q186 A189 G282L169-N172 PolarHBondContact O-N 2.93Å; N172-P184 PolarHBondContact ND2-O 3.26Å; N172-Q186 VanDerWaalsContact OD1-CB 3.3Å; N172-Q186 WeakPolarHBondContact OD1-CB 3.27Å; N172-Q186 WeakPolarHBondContact OD1-CG 3.33Å; N172-Q186 PolarHBondContact OD1-N 2.97Å; N172-A189 HydrophobicContact CB-CB 4.31Å; N172-A189 WeakPolarHBondContact OD1-CB 3.38Å; N172-G282 PolarHBondContact N-O 3.44Å
173F97.1Very high93.7Very high4 Ų456.4 Ų56.42%0.01830%0.304CS..SBendtrans-85.4151.9172.9-66.2-101000110.8M99 M142 L169 C175 A189 V192 M193 G282 M284 W287M99-F173 HydrophobicContact CE-CE2 4.19Å; M142-F173 HydrophobicContact CE-CE2 4.08Å; M142-F173 HydrophobicContact CE-CZ 3.79Å; L169-F173 WeakPolarHBondContact O-CE2 2.95Å; F173-C175 PolarHBondContact O-N 3.11Å; F173-C175 VanDerWaalsContact O-N 3.09Å; F173-A189 HydrophobicContact CE2-CB 4.29Å; F173-A189 HydrophobicContact CZ-CB 4.29Å; F173-V192 HydrophobicContact CE1-CB 4.47Å; F173-V192 HydrophobicContact CE1-CG1 4.25Å; F173-V192 HydrophobicContact CZ-CB 4.36Å; F173-V192 HydrophobicContact CZ-CG1 4.23Å; F173-M193 HydrophobicContact CD1-CG 3.76Å; F173-M193 HydrophobicContact CD1-SD 4.29Å; F173-M193 HydrophobicContact CE1-CG 3.8Å; F173-G282 WeakPolarHBondContact CB-O 3.43Å; F173-G282 PolarHBondContact N-O 2.72Å; F173-G282 WeakPolarHBondContact O-CA 3.44Å; F173-M284 HydrophobicContact CD2-CB 3.98Å; F173-M284 HydrophobicContact CE1-CB 4.29Å; F173-M284 HydrophobicContact CE1-CG 3.88Å; F173-M284 HydrophobicContact CE1-SD 4.4Å; F173-M284 HydrophobicContact CE2-CB 3.55Å; F173-M284 HydrophobicContact CE2-CG 3.93Å; F173-M284 HydrophobicContact CE2-SD 4.28Å; F173-M284 HydrophobicContact CZ-CB 3.71Å; F173-M284 HydrophobicContact CZ-CG 3.51Å; F173-M284 HydrophobicContact CZ-SD 3.68Å; F173-W287 HydrophobicContact CB-CB 3.81Å; F173-W287 HydrophobicContact CB-CG 3.89Å; F173-W287 HydrophobicContact CD1-CB 4.17Å; F173-W287 AromaticContact CD1-CD2 3.79Å; F173-W287 HydrophobicContact CD1-CD2 3.79Å; F173-W287 AromaticContact CD1-CE3 3.96Å; F173-W287 HydrophobicContact CD1-CE3 3.96Å; F173-W287 AromaticContact CD1-CG 3.86Å; F173-W287 HydrophobicContact CD1-CG 3.86Å; F173-W287 HydrophobicContact CE1-CE3 4.24Å; F173-W287 HydrophobicContact CG-CB 4.24Å; F173-W287 HydrophobicContact CG-CG 4.28Å
174P92.9Very high93.7Very high64 Ų6459.9 Ų59.942%0.41633%0.327SS..  trans-56.2115.6172.5-25.732.8000111.9M193P174-M193 HydrophobicContact CG-CE 3.85Å; P174-M193 HydrophobicContact CG-SD 4.43Å
175C87.8Confident93.7Very high14 Ų1461.7 Ų61.710%0.09533%0.332CS..  trans-80.6166.2-177.553.20000114.2F173 F177 C181F173-C175 PolarHBondContact O-N 3.11Å; F173-C175 VanDerWaalsContact O-N 3.09Å; C175-F177 VanDerWaalsContact C-N 3.33Å; C175-F177 PolarHBondContact SG-O 2.91Å; C175-C181 HydrophobicContact CB-CB 4.27Å; C175-C181 WeakPolarHBondContact CB-SG 3.14Å; C175-C181 WeakPolarHBondContact SG-CB 3.5Å; C175-C181 CovalentContact SG-SG 2.01Å; C175-C181 PolarHBondContact SG-SG 2.87Å
176R85.1Confident93.7Very high69 Ų6954.9 Ų54.926%0.2631%0.306SS..SBendtrans-66.8-35174.2-178.9172.8142.3-150.410.7112.3Y218 D220 N229 L290R176-Y218 VanDerWaalsContact NH1-CB 3.34Å; R176-Y218 VanDerWaalsContact NH1-CD2 3.32Å; R176-D220 IonicContact CZ-OD1 2.63Å; R176-D220 IonicContact NE-OD1 3.64Å; R176-D220 PolarHBondContact NH1-O 3.44Å; R176-D220 IonicContact NH1-OD1 3.13Å; R176-D220 PolarHBondContact NH1-OD1 2.65Å; R176-N229 PolarHBondContact NH1-ND2 3.33Å; R176-N229 VanDerWaalsContact NH1-ND2 3.18Å; R176-N229 PolarHBondContact NH2-ND2 3.12Å; R176-L290 HydrophobicContact CB-CD1 3.8Å; R176-L290 HydrophobicContact CG-CD1 4.04Å
177F88.7Confident93.7Very high23 Ų2351 Ų5110%0.10129%0.288CS..SBendtrans-117.993.1-178.1-61.6-63.4000110.4C175 Q179 F180 D220 T221 E222C175-F177 VanDerWaalsContact C-N 3.33Å; C175-F177 PolarHBondContact SG-O 2.91Å; F177-Q179 PolarHBondContact O-N 3.06Å; F177-F180 HydrophobicContact CB-CD2 3.6Å; F177-F180 HydrophobicContact CB-CE2 3.95Å; F177-F180 HydrophobicContact CG-CD2 4.44Å; F177-F180 HydrophobicContact CG-CE2 4.46Å; F177-F180 PolarHBondContact O-N 2.77Å; F177-D220 HydrophobicContact CD2-CB 4.35Å; F177-D220 WeakPolarHBondContact CE2-OD1 3.36Å; F177-T221 VanDerWaalsContact CD2-O 3.31Å; F177-T221 WeakPolarHBondContact CD2-O 3.49Å; F177-T221 WeakPolarHBondContact CE2-O 3.25Å; F177-E222 HydrophobicContact CD1-CB 4.2Å; F177-E222 HydrophobicContact CD1-CG 4.09Å; F177-E222 HydrophobicContact CE1-CB 3.51Å; F177-E222 HydrophobicContact CE1-CG 3.65Å; F177-E222 HydrophobicContact CE2-CB 4.3Å; F177-E222 VanDerWaalsContact CE2-N 3.31Å; F177-E222 HydrophobicContact CZ-CB 3.56Å; F177-E222 HydrophobicContact CZ-CG 4.24Å
178P87.7Confident93.7Very high98 Ų9848.6 Ų48.664%0.63628%0.277SS*.G310 helixtrans-56.4-22.3-169.6-2835.9000115.6F180 C181P178-F180 PolarHBondContact O-N 3.38Å; P178-C181 PolarHBondContact O-N 3.16Å
179Q88.8Confident93.8Very high121 Ų12147.4 Ų47.457%0.56527%0.271SS*.G310 helixtrans-64.7-20.2177.168.2-8726.100114.1F177 E222F177-Q179 PolarHBondContact O-N 3.06Å; Q179-E222 PolarHBondContact NE2-O 3.23Å
180F89.7Confident93.8Very high89 Ų8949.1 Ų49.139%0.3929%0.285SS..G310 helixtrans-98.66.8-179.6-57.6-55.6000113.4F177 P178 E222F177-F180 HydrophobicContact CB-CD2 3.6Å; F177-F180 HydrophobicContact CB-CE2 3.95Å; F177-F180 HydrophobicContact CG-CD2 4.44Å; F177-F180 HydrophobicContact CG-CE2 4.46Å; F177-F180 PolarHBondContact O-N 2.77Å; P178-F180 PolarHBondContact O-N 3.38Å; F180-E222 WeakPolarHBondContact CE2-O 3.27Å
181C88.7Confident93.8Very high48 Ų4849.1 Ų49.132%0.32429%0.286SS..  trans-131.6152.8-178.4-55.90000112.1C175 P178C175-C181 HydrophobicContact CB-CB 4.27Å; C175-C181 WeakPolarHBondContact CB-SG 3.14Å; C175-C181 WeakPolarHBondContact SG-CB 3.5Å; C175-C181 CovalentContact SG-SG 2.01Å; C175-C181 PolarHBondContact SG-SG 2.87Å; P178-C181 PolarHBondContact O-N 3.16Å
182G88.2Confident93.9Very high76 Ų7645.9 Ų45.978%0.78427%0.274SS*.  trans-174.3-8.6179.500000115.5
183D94.1Very high94Very high90 Ų9046.1 Ų46.148%0.48128%0.275SS..PPolyproline II helixtrans-65.3143.5-179.5-73.5-17.1000112.2F167 L185F167-D183 HydrophobicContact CD1-CB 4Å; F167-D183 HydrophobicContact CE1-CB 4.04Å; D183-L185 PolarHBondContact O-N 3.27Å
184P96.7Very high94Very high78 Ų7853.4 Ų53.451%0.50631%0.306SS..PPolyproline II helixtrans-61.6138.6174.326.4-34.4000110.6F167 N172 Q186F167-P184 HydrophobicContact CE1-CG 3.89Å; F167-P184 HydrophobicContact CE2-CG 4.27Å; F167-P184 HydrophobicContact CZ-CG 3.58Å; N172-P184 PolarHBondContact ND2-O 3.26Å; P184-Q186 PolarHBondContact O-N 3.17Å; P184-Q186 PolarHBondContact O-NE2 3.21Å
185L98Very high94.3Very high91 Ų9150.7 Ų50.748%0.47629%0.288SS..PPolyproline II helixtrans-61.4123.8178.4-175.766000110.7D183 A189 A190 M193D183-L185 PolarHBondContact O-N 3.27Å; L185-A189 HydrophobicContact CD1-CB 3.88Å; L185-A190 HydrophobicContact CD2-CB 3.74Å; L185-A190 HydrophobicContact CG-CB 3.98Å; L185-M193 HydrophobicContact CD1-SD 3.79Å; L185-M193 HydrophobicContact CD2-SD 4.33Å
186Q98.7Very high94.7Very high3 Ų350.2 Ų50.21%0.01429%0.285CS..PPolyproline II helixtrans-83.8151.7178.3-61.2-52.9-6500110.9N163 F167 L169 N172 P184 E188 A189 A190N163-Q186 PolarHBondContact ND2-OE1 2.95Å; F167-Q186 HydrophobicContact CB-CG 3.7Å; F167-Q186 HydrophobicContact CD2-CG 4.17Å; F167-Q186 HydrophobicContact CG-CG 4.01Å; L169-Q186 HydrophobicContact CD2-CB 3.71Å; L169-Q186 HydrophobicContact CD2-CG 4.03Å; N172-Q186 VanDerWaalsContact OD1-CB 3.3Å; N172-Q186 WeakPolarHBondContact OD1-CB 3.27Å; N172-Q186 WeakPolarHBondContact OD1-CG 3.33Å; N172-Q186 PolarHBondContact OD1-N 2.97Å; P184-Q186 PolarHBondContact O-N 3.17Å; P184-Q186 PolarHBondContact O-NE2 3.21Å; Q186-E188 VanDerWaalsContact C-N 3.28Å; Q186-E188 PolarHBondContact O-N 3.49Å; Q186-A189 PolarHBondContact O-N 2.86Å; Q186-A190 WeakPolarHBondContact O-CB 3.5Å; Q186-A190 PolarHBondContact O-N 3.29Å
187P98.7Very high95.1Very high44 Ų4454.3 Ų54.329%0.28630%0.3SS..Hα-helixtrans-63.6-33.2-176.626.4-34.5000112.8V71 A191V71-P187 HydrophobicContact CG2-CG 3.62Å; P187-A191 VanDerWaalsContact O-CB 3.31Å; P187-A191 WeakPolarHBondContact O-CB 3.42Å; P187-A191 PolarHBondContact O-N 3.38Å
188E98.8Very high95.3Very high0 Ų062.9 Ų62.90%033%0.332CS..Hα-helixtrans-64.5-48.5176.4-59.881.9-177.400111.5S70 V71 L76 M142 N163 L169 Q186 A191 V192S70-E188 WeakPolarHBondContact CA-OE1 3.31Å; S70-E188 VanDerWaalsContact CB-OE1 3.31Å; S70-E188 WeakPolarHBondContact CB-OE1 3.48Å; V71-E188 PolarHBondContact N-OE1 3.19Å; L76-E188 HydrophobicContact CD2-CB 4.12Å; L76-E188 HydrophobicContact CD2-CG 4.3Å; M142-E188 HydrophobicContact CE-CB 4.3Å; M142-E188 HydrophobicContact CG-CB 4.4Å; M142-E188 WeakPolarHBondContact O-CG 3.37Å; N163-E188 PolarHBondContact ND2-OE2 3.32Å; N163-E188 VanDerWaalsContact ND2-OE2 3.16Å; L169-E188 HydrophobicContact CD1-CB 3.69Å; L169-E188 HydrophobicContact CD1-CG 4.02Å; L169-E188 HydrophobicContact CD2-CB 4.03Å; Q186-E188 VanDerWaalsContact C-N 3.28Å; Q186-E188 PolarHBondContact O-N 3.49Å; E188-A191 WeakPolarHBondContact O-CB 3.48Å; E188-A191 PolarHBondContact O-N 3.09Å; E188-V192 PolarHBondContact O-N 3.38Å; E188-V192 VanDerWaalsContact O-N 3.12Å
189A98.6Very high95.6Very high0 Ų058.9 Ų58.90%031%0.305CS..Hα-helixtrans-63.2-44.8176.700000111.3M142 N172 F173 L185 Q186 A191 V192 M193M142-A189 HydrophobicContact CE-CB 4.36Å; N172-A189 HydrophobicContact CB-CB 4.31Å; N172-A189 WeakPolarHBondContact OD1-CB 3.38Å; F173-A189 HydrophobicContact CE2-CB 4.29Å; F173-A189 HydrophobicContact CZ-CB 4.29Å; L185-A189 HydrophobicContact CD1-CB 3.88Å; Q186-A189 PolarHBondContact O-N 2.86Å; A189-A191 VanDerWaalsContact C-N 3.31Å; A189-A191 PolarHBondContact O-N 3.08Å; A189-V192 PolarHBondContact O-N 2.92Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.31Å; A189-M193 PolarHBondContact O-N 2.81Å
190A98.7Very high95.8Very high35 Ų3554.2 Ų54.229%0.28929%0.285SS..Hα-helixtrans-59-40.4175.900000112.7L185 Q186 M193 K194L185-A190 HydrophobicContact CD2-CB 3.74Å; L185-A190 HydrophobicContact CG-CB 3.98Å; Q186-A190 WeakPolarHBondContact O-CB 3.5Å; Q186-A190 PolarHBondContact O-N 3.29Å; A190-M193 PolarHBondContact O-N 2.88Å; A190-K194 WeakPolarHBondContact O-CB 3.31Å; A190-K194 PolarHBondContact O-N 3.49Å
191A98.8Very high96.2Very high7 Ų750.1 Ų50.16%0.05827%0.267CS..Hα-helixtrans-62.3-46.217700000111.3I67 L76 P187 E188 A189 K194 W195I67-A191 HydrophobicContact CD1-CB 4.35Å; I67-A191 HydrophobicContact CG1-CB 4.3Å; I67-A191 WeakPolarHBondContact O-CB 3.37Å; L76-A191 HydrophobicContact CD2-CB 4.11Å; P187-A191 VanDerWaalsContact O-CB 3.31Å; P187-A191 WeakPolarHBondContact O-CB 3.42Å; P187-A191 PolarHBondContact O-N 3.38Å; E188-A191 WeakPolarHBondContact O-CB 3.48Å; E188-A191 PolarHBondContact O-N 3.09Å; A189-A191 VanDerWaalsContact C-N 3.31Å; A189-A191 PolarHBondContact O-N 3.08Å; A191-K194 PolarHBondContact O-N 3.02Å; A191-W195 VanDerWaalsContact O-CB 3.26Å; A191-W195 WeakPolarHBondContact O-CB 3.21Å; A191-W195 PolarHBondContact O-N 3.2Å
192V98.8Very high96.6Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-66.8-39.5177.8173.90000112.1I67 L139 M142 F173 E188 A189 W195 S196 M284I67-V192 HydrophobicContact CD1-CG2 3.86Å; L139-V192 HydrophobicContact CD2-CG2 4.14Å; M142-V192 HydrophobicContact CE-CB 4.17Å; M142-V192 HydrophobicContact CE-CG2 3.72Å; M142-V192 HydrophobicContact CG-CG2 4Å; M142-V192 HydrophobicContact SD-CG2 3.8Å; F173-V192 HydrophobicContact CE1-CB 4.47Å; F173-V192 HydrophobicContact CE1-CG1 4.25Å; F173-V192 HydrophobicContact CZ-CB 4.36Å; F173-V192 HydrophobicContact CZ-CG1 4.23Å; E188-V192 PolarHBondContact O-N 3.38Å; E188-V192 VanDerWaalsContact O-N 3.12Å; A189-V192 PolarHBondContact O-N 2.92Å; V192-W195 HydrophobicContact CG1-CE3 4.45Å; V192-W195 PolarHBondContact O-N 3.38Å; V192-S196 WeakPolarHBondContact O-CB 2.86Å; V192-S196 PolarHBondContact O-N 2.82Å; V192-S196 PolarHBondContact O-OG 3.46Å; V192-M284 HydrophobicContact CG1-SD 3.67Å
193M98.4Very high97.1Very high15 Ų1544.4 Ų44.47%0.07422%0.216CC..Hα-helixtrans-60.6-49.9175.3-68.917260.600111.4F173 P174 L185 A189 A190 W195 S196 W197 W287F173-M193 HydrophobicContact CD1-CG 3.76Å; F173-M193 HydrophobicContact CD1-SD 4.29Å; F173-M193 HydrophobicContact CE1-CG 3.8Å; P174-M193 HydrophobicContact CG-CE 3.85Å; P174-M193 HydrophobicContact CG-SD 4.43Å; L185-M193 HydrophobicContact CD1-SD 3.79Å; L185-M193 HydrophobicContact CD2-SD 4.33Å; A189-M193 VanDerWaalsContact O-CG 3.29Å; A189-M193 WeakPolarHBondContact O-CG 3.31Å; A189-M193 PolarHBondContact O-N 2.81Å; A190-M193 PolarHBondContact O-N 2.88Å; M193-W195 VanDerWaalsContact C-N 3.27Å; M193-W195 PolarHBondContact O-N 3.4Å; M193-S196 PolarHBondContact O-N 3.38Å; M193-W197 HydrophobicContact CB-CZ3 4.3Å; M193-W197 HydrophobicContact CE-CH2 3.58Å; M193-W197 HydrophobicContact CE-CZ2 4.18Å; M193-W197 HydrophobicContact CE-CZ3 4.19Å; M193-W197 PolarHBondContact O-N 3.08Å; M193-W287 HydrophobicContact CB-CH2 3.75Å; M193-W287 HydrophobicContact CB-CZ2 3.78Å; M193-W287 HydrophobicContact CE-CZ2 3.85Å; M193-W287 HydrophobicContact CG-CD2 4.44Å; M193-W287 HydrophobicContact CG-CH2 3.79Å; M193-W287 HydrophobicContact CG-CZ2 3.56Å; M193-W287 HydrophobicContact CG-CZ3 4.28Å; M193-W287 HydrophobicContact SD-CZ2 4.44Å
194K98.4Very high97.3Very high156 Ų15640.1 Ų40.168%0.67819%0.193SC*.Hα-helixtrans-60.7-38.5177.8-176.1-179.9179.6-178.40112A190 A191 R198A190-K194 WeakPolarHBondContact O-CB 3.31Å; A190-K194 PolarHBondContact O-N 3.49Å; A191-K194 PolarHBondContact O-N 3.02Å; K194-R198 WeakPolarHBondContact O-CB 3.38Å; K194-R198 PolarHBondContact O-N 3.28Å
195W98.1Very high97.4Very high7 Ų736.4 Ų36.43%0.02717%0.169CC..Hα-helixtrans-65.1-45176.4177.842.3000112.2Y65 I67 V78 K94 V96 H137 L139 A191 V192 M193 W197 R198 I199 F201Y65-W195 AromaticContact CE2-NE1 3.96Å; Y65-W195 AromaticContact CZ-NE1 3.89Å; Y65-W195 PolarHBondContact OH-NE1 3.42Å; I67-W195 HydrophobicContact CB-CB 4.15Å; I67-W195 HydrophobicContact CB-CG 4.26Å; I67-W195 HydrophobicContact CD1-CB 4.28Å; I67-W195 HydrophobicContact CD1-CD2 4.13Å; I67-W195 HydrophobicContact CD1-CE3 3.78Å; I67-W195 HydrophobicContact CD1-CG 4.38Å; I67-W195 HydrophobicContact CD1-CZ3 4.44Å; I67-W195 HydrophobicContact CG2-CB 3.93Å; I67-W195 HydrophobicContact CG2-CD2 3.83Å; I67-W195 HydrophobicContact CG2-CG 3.53Å; V78-W195 HydrophobicContact CG1-CH2 4.35Å; V78-W195 HydrophobicContact CG1-CZ2 3.81Å; V78-W195 HydrophobicContact CG2-CH2 4.17Å; V78-W195 HydrophobicContact CG2-CZ2 4Å; K94-W195 HydrophobicContact CB-CH2 3.61Å; K94-W195 HydrophobicContact CB-CZ2 4.12Å; K94-W195 HydrophobicContact CB-CZ3 4.25Å; K94-W195 HydrophobicContact CD-CE3 4.25Å; K94-W195 HydrophobicContact CD-CH2 3.98Å; K94-W195 HydrophobicContact CD-CZ3 3.74Å; K94-W195 HydrophobicContact CG-CH2 4.37Å; V96-W195 HydrophobicContact CG2-CH2 4.46Å; V96-W195 HydrophobicContact CG2-CZ3 3.94Å; H137-W195 HydrophobicContact CB-CH2 4.33Å; H137-W195 HydrophobicContact CB-CZ2 3.72Å; L139-W195 HydrophobicContact CB-CH2 4.16Å; L139-W195 HydrophobicContact CB-CZ3 4.22Å; L139-W195 HydrophobicContact CD2-CZ3 4.02Å; A191-W195 VanDerWaalsContact O-CB 3.26Å; A191-W195 WeakPolarHBondContact O-CB 3.21Å; A191-W195 PolarHBondContact O-N 3.2Å; V192-W195 HydrophobicContact CG1-CE3 4.45Å; V192-W195 PolarHBondContact O-N 3.38Å; M193-W195 VanDerWaalsContact C-N 3.27Å; M193-W195 PolarHBondContact O-N 3.4Å; W195-W197 VanDerWaalsContact C-N 3.33Å; W195-W197 PolarHBondContact O-N 2.8Å; W195-R198 WeakPolarHBondContact O-CB 3.29Å; W195-R198 PolarHBondContact O-N 2.6Å; W195-I199 PolarHBondContact O-N 3.25Å; W195-F201 HydrophobicContact CD2-CE2 4.06Å; W195-F201 HydrophobicContact CD2-CZ 4.23Å; W195-F201 AromaticContact CE2-CE2 3.77Å; W195-F201 AromaticContact CE2-CZ 3.47Å; W195-F201 VanDerWaalsContact CE2-CZ 3.47Å; W195-F201 HydrophobicContact CG-CE2 4.39Å; W195-F201 HydrophobicContact CH2-CZ 4.23Å; W195-F201 HydrophobicContact CZ2-CE1 4.34Å; W195-F201 HydrophobicContact CZ2-CE2 4.08Å; W195-F201 AromaticContact CZ2-CZ 3.47Å; W195-F201 HydrophobicContact CZ2-CZ 3.47Å; W195-F201 VanDerWaalsContact CZ2-CZ 3.47Å; W195-F201 AromaticContact NE1-CE2 3.93Å; W195-F201 AromaticContact NE1-CZ 3.61Å
196S97Very high97.4Very high4 Ų432.1 Ų32.13%0.02815%0.146CC..Hα-helixtrans-69.4-28-178.2-520000113.1K94 V192 M193K94-S196 PolarHBondContact NZ-OG 2.79Å; V192-S196 WeakPolarHBondContact O-CB 2.86Å; V192-S196 PolarHBondContact O-N 2.82Å; V192-S196 PolarHBondContact O-OG 3.46Å; M193-S196 PolarHBondContact O-N 3.38Å
197W94Very high97.5Very high156 Ų15632 Ų3259%0.59115%0.146SC*.Hα-helixtrans-77.9-20.4169.9-70.2-37.8000114.1M193 W195 W287 R291M193-W197 HydrophobicContact CB-CZ3 4.3Å; M193-W197 HydrophobicContact CE-CH2 3.58Å; M193-W197 HydrophobicContact CE-CZ2 4.18Å; M193-W197 HydrophobicContact CE-CZ3 4.19Å; M193-W197 PolarHBondContact O-N 3.08Å; W195-W197 VanDerWaalsContact C-N 3.33Å; W195-W197 PolarHBondContact O-N 2.8Å; W197-W287 HydrophobicContact CD2-CH2 4.44Å; W197-W287 HydrophobicContact CD2-CZ2 4.48Å; W197-W287 AromaticContact CE2-CH2 3.99Å; W197-W287 AromaticContact CE2-CZ2 3.69Å; W197-W287 HydrophobicContact CH2-CZ2 4.25Å; W197-W287 HydrophobicContact CZ2-CH2 4.32Å; W197-W287 AromaticContact CZ2-CZ2 3.58Å; W197-W287 HydrophobicContact CZ2-CZ2 3.58Å; W197-W287 AromaticContact NE1-CH2 3.93Å; W197-W287 AromaticContact NE1-CZ2 3.87Å; W197-R291 PolarHBondContact NE1-O 3.46Å
198R92.7Very high97.4Very high202 Ų20230 Ų3076%0.76213%0.133SC*.Hα-helixtrans-84.8-32.2-177.4-178.6179.6176.1-166-0.8112.6K194 W195K194-R198 WeakPolarHBondContact O-CB 3.38Å; K194-R198 PolarHBondContact O-N 3.28Å; W195-R198 WeakPolarHBondContact O-CB 3.29Å; W195-R198 PolarHBondContact O-N 2.6Å
199I93.7Very high97.3Very high14 Ų1430 Ų307%0.07213%0.133CC..SBendtrans-117.2129-176.6-56.3-174.3000107.8W195 F201W195-I199 PolarHBondContact O-N 3.25Å; I199-F201 HydrophobicContact CB-CD2 4.12Å; I199-F201 HydrophobicContact CB-CE1 4.2Å; I199-F201 HydrophobicContact CB-CE2 3.65Å; I199-F201 HydrophobicContact CB-CZ 3.69Å; I199-F201 HydrophobicContact CD1-CE2 4.48Å; I199-F201 HydrophobicContact CD1-CZ 3.91Å; I199-F201 HydrophobicContact CG1-CE2 4.45Å; I199-F201 HydrophobicContact CG1-CZ 4.3Å; I199-F201 HydrophobicContact CG2-CD1 3.99Å; I199-F201 HydrophobicContact CG2-CD2 4.34Å; I199-F201 HydrophobicContact CG2-CE1 3.65Å; I199-F201 HydrophobicContact CG2-CE2 4.03Å; I199-F201 HydrophobicContact CG2-CG 4.33Å; I199-F201 HydrophobicContact CG2-CZ 3.67Å; I199-F201 WeakPolarHBondContact O-CD2 3.45Å; I199-F201 PolarHBondContact O-N 3.25Å
200P93.6Very high97Very high23 Ų2331.1 Ų31.115%0.14914%0.144CC..  trans-75.972179.636.3-41.1000110.4H88 V202 N363H88-P200 WeakPolarHBondContact CE1-CG 3.38Å; P200-V202 PolarHBondContact O-N 3.24Å; P200-N363 HydrophobicContact CB-CB 4.27Å; P200-N363 VanDerWaalsContact CG-ND2 3.29Å; P200-N363 WeakPolarHBondContact CG-ND2 3.21Å
201F97.2Very high96.8Very high4 Ų429.6 Ų29.62%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-62.2134.1173.9-65.2-63.5000110.1S92 L93 K94 H137 W195 I199 N293 D294S92-F201 WeakPolarHBondContact O-CA 3.1Å; L93-F201 VanDerWaalsContact C-CD1 3.48Å; K94-F201 HydrophobicContact CB-CD1 3.86Å; K94-F201 HydrophobicContact CB-CE1 3.63Å; K94-F201 HydrophobicContact CB-CE2 4.36Å; K94-F201 HydrophobicContact CB-CG 4.33Å; K94-F201 HydrophobicContact CB-CZ 3.89Å; K94-F201 HydrophobicContact CD-CD2 3.85Å; K94-F201 HydrophobicContact CD-CE2 3.9Å; K94-F201 HydrophobicContact CD-CG 4.19Å; K94-F201 HydrophobicContact CD-CZ 4.3Å; K94-F201 HydrophobicContact CG-CD1 4.08Å; K94-F201 HydrophobicContact CG-CD2 4.23Å; K94-F201 HydrophobicContact CG-CE1 4.25Å; K94-F201 HydrophobicContact CG-CE2 4.39Å; K94-F201 HydrophobicContact CG-CG 4.07Å; K94-F201 HydrophobicContact CG-CZ 4.4Å; H137-F201 HydrophobicContact CB-CE1 3.99Å; H137-F201 HydrophobicContact CB-CZ 4.28Å; H137-F201 AromaticContact CD2-CE1 3.53Å; H137-F201 AromaticContact CG-CE1 3.9Å; W195-F201 HydrophobicContact CD2-CE2 4.06Å; W195-F201 HydrophobicContact CD2-CZ 4.23Å; W195-F201 AromaticContact CE2-CE2 3.77Å; W195-F201 AromaticContact CE2-CZ 3.47Å; W195-F201 VanDerWaalsContact CE2-CZ 3.47Å; W195-F201 HydrophobicContact CG-CE2 4.39Å; W195-F201 HydrophobicContact CH2-CZ 4.23Å; W195-F201 HydrophobicContact CZ2-CE1 4.34Å; W195-F201 HydrophobicContact CZ2-CE2 4.08Å; W195-F201 AromaticContact CZ2-CZ 3.47Å; W195-F201 HydrophobicContact CZ2-CZ 3.47Å; W195-F201 VanDerWaalsContact CZ2-CZ 3.47Å; W195-F201 AromaticContact NE1-CE2 3.93Å; W195-F201 AromaticContact NE1-CZ 3.61Å; I199-F201 HydrophobicContact CB-CD2 4.12Å; I199-F201 HydrophobicContact CB-CE1 4.2Å; I199-F201 HydrophobicContact CB-CE2 3.65Å; I199-F201 HydrophobicContact CB-CZ 3.69Å; I199-F201 HydrophobicContact CD1-CE2 4.48Å; I199-F201 HydrophobicContact CD1-CZ 3.91Å; I199-F201 HydrophobicContact CG1-CE2 4.45Å; I199-F201 HydrophobicContact CG1-CZ 4.3Å; I199-F201 HydrophobicContact CG2-CD1 3.99Å; I199-F201 HydrophobicContact CG2-CD2 4.34Å; I199-F201 HydrophobicContact CG2-CE1 3.65Å; I199-F201 HydrophobicContact CG2-CE2 4.03Å; I199-F201 HydrophobicContact CG2-CG 4.33Å; I199-F201 HydrophobicContact CG2-CZ 3.67Å; I199-F201 WeakPolarHBondContact O-CD2 3.45Å; I199-F201 PolarHBondContact O-N 3.25Å; F201-N293 CarbonylContact O-C 3.54Å; F201-D294 HydrophobicContact CB-CB 3.93Å; F201-D294 WeakPolarHBondContact CB-OD2 3.37Å; F201-D294 WeakPolarHBondContact O-CA 3.24Å; F201-D294 WeakPolarHBondContact O-CB 3.18Å; F201-D294 PolarHBondContact O-N 2.97Å
202V97.5Very high96.6Very high4 Ų429.9 Ų29.92%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-99.1-38.5179.8179.90000110.5S92 P200 F295 V330 W369 L371S92-V202 PolarHBondContact O-N 3.45Å; P200-V202 PolarHBondContact O-N 3.24Å; V202-F295 WeakPolarHBondContact O-CD2 3.37Å; V202-F295 PolarHBondContact O-N 3.47Å; V202-F295 VanDerWaalsContact O-N 3.11Å; V202-V330 HydrophobicContact CB-CG2 3.8Å; V202-V330 HydrophobicContact CG1-CG2 4.01Å; V202-W369 HydrophobicContact CB-CB 4.16Å; V202-W369 HydrophobicContact CB-CG 4.48Å; V202-W369 HydrophobicContact CG1-CB 3.52Å; V202-W369 HydrophobicContact CG1-CG 4.06Å; V202-W369 HydrophobicContact CG2-CB 3.51Å; V202-W369 HydrophobicContact CG2-CD2 3.92Å; V202-W369 HydrophobicContact CG2-CE3 4.13Å; V202-W369 HydrophobicContact CG2-CG 3.6Å; V202-L371 HydrophobicContact CG1-CD1 4.3Å; V202-L371 HydrophobicContact CG1-CD2 3.86Å; V202-L371 HydrophobicContact CG1-CG 3.86Å
203L98.4Very high96.5Very high0 Ų029.9 Ų29.90%013%0.132CC..EExtended strand (participates in β ladder)trans-138146.1-176.3178.462.6000108.6L93 K94 L240 D294 F295 F326 Q329 V330 L371L93-L203 WeakPolarHBondContact CA-O 3.5Å; L93-L203 HydrophobicContact CB-CB 4.2Å; L93-L203 WeakPolarHBondContact CB-O 3.31Å; K94-L203 PolarHBondContact N-O 2.79Å; K94-L203 VanDerWaalsContact N-O 3.15Å; L203-L240 HydrophobicContact CD1-CD1 3.58Å; L203-L240 HydrophobicContact CD1-CD2 3.8Å; L203-L240 HydrophobicContact CD1-CG 4.28Å; L203-L240 HydrophobicContact CD2-CD2 4.27Å; L203-D294 WeakPolarHBondContact CA-OD1 3.4Å; L203-D294 PolarHBondContact N-OD1 3.47Å; L203-F295 WeakPolarHBondContact CD1-O 3.3Å; L203-F326 HydrophobicContact CD1-CE1 4.25Å; L203-F326 HydrophobicContact CD1-CE2 4.2Å; L203-F326 HydrophobicContact CD1-CZ 3.63Å; L203-F326 HydrophobicContact CD2-CE1 4.11Å; L203-F326 HydrophobicContact CD2-CZ 4.15Å; L203-F326 WeakPolarHBondContact CD2-O 3.14Å; L203-F326 HydrophobicContact CG-CE1 3.98Å; L203-F326 HydrophobicContact CG-CZ 3.89Å; L203-Q329 HydrophobicContact CD2-CB 3.93Å; L203-V330 HydrophobicContact CB-CB 4.24Å; L203-V330 HydrophobicContact CB-CG2 4.02Å; L203-V330 HydrophobicContact CD2-CB 4.13Å; L203-L371 HydrophobicContact CB-CD1 4.38Å; L203-L371 HydrophobicContact CD1-CD1 4.27Å
204S98.8Very high96.5Very high0 Ų029.2 Ų29.20%013%0.129CC..EExtended strand (participates in β ladder)trans-151.9160.8171.852.50000113.3K94 D294 F295 E296 V297 F326K94-S204 WeakPolarHBondContact O-CA 3.42Å; K94-S204 VanDerWaalsContact O-CB 3.31Å; K94-S204 WeakPolarHBondContact O-CB 3.49Å; S204-D294 VanDerWaalsContact CB-OD1 3.22Å; S204-D294 WeakPolarHBondContact CB-OD1 3.13Å; S204-D294 WeakPolarHBondContact CB-OD2 3.48Å; S204-D294 PolarHBondContact N-OD1 3.31Å; S204-D294 VanDerWaalsContact N-OD1 3.11Å; S204-D294 PolarHBondContact OG-OD1 2.9Å; S204-D294 PolarHBondContact OG-OD2 2.93Å; S204-F295 PolarHBondContact N-O 3.44Å; S204-E296 WeakPolarHBondContact O-CA 3.39Å; S204-E296 VanDerWaalsContact OG-CA 3.27Å; S204-E296 WeakPolarHBondContact OG-CA 3.41Å; S204-E296 WeakPolarHBondContact OG-CB 3.31Å; S204-E296 WeakPolarHBondContact OG-CG 3.42Å; S204-E296 PolarHBondContact OG-OE2 3.44Å; S204-V297 PolarHBondContact O-N 2.03Å; S204-V297 VanDerWaalsContact O-N 3.13Å; S204-F326 WeakPolarHBondContact O-CZ 3.24Å
205A98.9Very high96.5Very high0 Ų022.1 Ų22.10%010%0.098CC..EExtended strand (participates in β ladder)trans-136.7141.7164.800000111K94 L95 V96 L207 V297 I299 F326K94-A205 PolarHBondContact O-N 2.98Å; L95-A205 HydrophobicContact CD2-CB 3.96Å; V96-A205 PolarHBondContact N-O 3.4Å; A205-L207 HydrophobicContact CB-CD2 4.19Å; A205-V297 WeakPolarHBondContact CA-O 3.37Å; A205-V297 HydrophobicContact CB-CG2 4.16Å; A205-I299 HydrophobicContact CB-CD1 3.7Å; A205-I299 HydrophobicContact CB-CG1 4.31Å; A205-F326 HydrophobicContact CB-CD1 4.29Å; A205-F326 HydrophobicContact CB-CE1 3.52Å; A205-F326 HydrophobicContact CB-CZ 3.74Å
206N98.6Very high96.6Very high1 Ų122.4 Ų22.41%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-105.1126.5167.767.878.3000109.5V96 H208 M284 E296 V297 T298 I299V96-N206 CarbonylContact O-C 3.46Å; V96-N206 VanDerWaalsContact O-CA 3.31Å; V96-N206 WeakPolarHBondContact O-CA 3.33Å; N206-H208 PolarHBondContact OD1-CD2 3.5Å; N206-H208 PolarHBondContact OD1-NE2 2.96Å; N206-M284 HydrophobicContact CB-CE 3.28Å; N206-E296 PolarHBondContact ND2-OE1 2.78Å; N206-V297 PolarHBondContact N-O 3.08Å; N206-T298 PolarHBondContact ND2-OG1 3.39Å; N206-T298 WeakPolarHBondContact O-CA 3.49Å; N206-T298 WeakPolarHBondContact OD1-CA 3.39Å; N206-T298 VanDerWaalsContact OD1-CB 3.27Å; N206-T298 WeakPolarHBondContact OD1-CB 3.14Å; N206-T298 WeakPolarHBondContact OD1-CG2 3.33Å; N206-T298 PolarHBondContact OD1-OG1 3.08Å; N206-I299 PolarHBondContact O-N 3.24Å
207L98.8Very high96.6Very high1 Ų122.2 Ų22.21%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-102.1117.1-171.2-52.1-171.2000110.4V96 N98 L110 A205 I299 M301 L323V96-L207 PolarHBondContact O-N 2.88Å; N98-L207 PolarHBondContact N-O 2.8Å; L110-L207 HydrophobicContact CD1-CD1 4Å; L110-L207 HydrophobicContact CD2-CD1 3.79Å; L110-L207 HydrophobicContact CG-CD1 3.73Å; A205-L207 HydrophobicContact CB-CD2 4.19Å; L207-I299 HydrophobicContact CD2-CB 3.81Å; L207-I299 HydrophobicContact CD2-CD1 3.81Å; L207-I299 HydrophobicContact CD2-CG1 4.24Å; L207-I299 HydrophobicContact CD2-CG2 4.4Å; L207-M301 HydrophobicContact CB-SD 3.96Å; L207-M301 HydrophobicContact CD1-SD 3.92Å; L207-M301 HydrophobicContact CG-SD 4.37Å; L207-L323 HydrophobicContact CD1-CD2 4.15Å
208H98.4Very high96.8Very high1 Ų115.7 Ų15.71%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-116179-179.2-78-95000111M99 H100 E103 N206 T298 I299 E300 M301M99-H208 WeakPolarHBondContact CG-CE1 3.44Å; M99-H208 VanDerWaalsContact CG-NE2 3.32Å; M99-H208 WeakPolarHBondContact CG-NE2 3.34Å; M99-H208 PolarHBondContact SD-NE2 2.96Å; H100-H208 AromaticContact CE1-CE1 3.33Å; H100-H208 PolarHBondContact CE1-CE1 2.8Å; H100-H208 AromaticContact CE1-ND1 3.52Å; H100-H208 AromaticContact CG-CE1 3.91Å; H100-H208 AromaticContact CG-ND1 4Å; H100-H208 AromaticContact ND1-CE1 3.34Å; H100-H208 PolarHBondContact ND1-CE1 2.82Å; H100-H208 VanDerWaalsContact ND1-CE1 3.34Å; H100-H208 AromaticContact ND1-ND1 3.19Å; H100-H208 PolarHBondContact ND1-ND1 3.29Å; H100-H208 VanDerWaalsContact ND1-ND1 3.19Å; H100-H208 AromaticContact NE2-CE1 3.93Å; E103-H208 WeakPolarHBondContact OE2-CA 3.29Å; E103-H208 VanDerWaalsContact OE2-CB 3.28Å; E103-H208 WeakPolarHBondContact OE2-CB 3.37Å; E103-H208 IonicContact OE2-CE1 2.82Å; E103-H208 IonicContact OE2-CG 3.88Å; E103-H208 VanDerWaalsContact OE2-CG 3.29Å; E103-H208 IonicContact OE2-ND1 3.24Å; E103-H208 PolarHBondContact OE2-ND1 3.41Å; N206-H208 PolarHBondContact OD1-CD2 3.5Å; N206-H208 PolarHBondContact OD1-NE2 2.96Å; H208-T298 HydrophobicContact CB-CG2 4.43Å; H208-I299 PolarHBondContact N-O 3.22Å; H208-E300 VanDerWaalsContact CB-CD 3.46Å; H208-E300 HydrophobicContact CB-CG 4.47Å; H208-E300 WeakPolarHBondContact CB-OE1 3.31Å; H208-E300 WeakPolarHBondContact CB-OE2 3.39Å; H208-M301 WeakPolarHBondContact O-CG 3.29Å; H208-M301 PolarHBondContact O-N 3.18Å
209S96.1Very high97Very high0 Ų06.2 Ų6.20%04%0.038CC..  trans-148.2164.4174.7-53.70000109.1E103 E300 N302 K305E103-S209 WeakPolarHBondContact CG-O 3.39Å; E103-S209 PolarHBondContact OE2-N 3.43Å; S209-E300 WeakPolarHBondContact CA-OE2 3.3Å; S209-E300 PolarHBondContact N-OE2 3.42Å; S209-E300 VanDerWaalsContact O-OE2 3.11Å; S209-N302 VanDerWaalsContact CB-OD1 3.29Å; S209-N302 WeakPolarHBondContact CB-OD1 3.3Å; S209-N302 PolarHBondContact OG-OD1 3.04Å; S209-K305 VanDerWaalsContact O-CD 3.29Å; S209-K305 WeakPolarHBondContact O-CD 3.28Å; S209-K305 WeakPolarHBondContact O-CE 3.46Å; S209-K305 PolarHBondContact O-NZ 2.88Å
210G92.3Very high97Very high23 Ų235.6 Ų5.624%0.2374%0.035CC..SBendtrans123-22.8-177.700000112.9N302G210-N302 CarbonylContact C-O 3.52Å; G210-N302 WeakPolarHBondContact CA-O 3.42Å; G210-N302 PolarHBondContact N-O 2.89Å
211T93.7Very high97Very high3 Ų34.5 Ų4.52%0.0183%0.028CC..SBendtrans-146.8-170.8166.9-162.60000110.5V213 D265 F267 W277 E300 M301 N302T211-V213 HydrophobicContact CG2-CG1 3.85Å; T211-D265 PolarHBondContact OG1-OD2 3.13Å; T211-F267 HydrophobicContact CG2-CE2 4.22Å; T211-F267 HydrophobicContact CG2-CZ 4.48Å; T211-W277 HydrophobicContact CG2-CH2 3.35Å; T211-W277 HydrophobicContact CG2-CZ2 3.51Å; T211-W277 HydrophobicContact CG2-CZ3 4.37Å; T211-E300 HydrophobicContact CG2-CB 3.51Å; T211-E300 HydrophobicContact CG2-CG 3.63Å; T211-E300 CarbonylContact O-C 3.57Å; T211-E300 VanDerWaalsContact O-C 3.3Å; T211-E300 WeakPolarHBondContact O-CB 3.37Å; T211-M301 CarbonylContact O-C 3.52Å; T211-N302 PolarHBondContact N-O 3.14Å; T211-N302 CarbonylContact O-C 3.59Å; T211-N302 WeakPolarHBondContact O-CA 3.01Å; T211-N302 PolarHBondContact O-N 3.33Å
212T95.2Very high96.7Very high14 Ų1410.9 Ų10.99%0.0866%0.058CC..  trans-13193.1177.8-57.20000110.9M251 R257 E300 M301 N302T212-M251 HydrophobicContact CG2-CB 4.02Å; T212-M251 HydrophobicContact CG2-CE 3.54Å; T212-M251 HydrophobicContact CG2-CG 3.97Å; T212-R257 WeakPolarHBondContact O-CG 3.42Å; T212-R257 PolarHBondContact O-NE 2.73Å; T212-E300 VanDerWaalsContact CA-O 3.29Å; T212-E300 WeakPolarHBondContact CA-O 3.41Å; T212-M301 PolarHBondContact OG1-O 3.42Å; T212-N302 WeakPolarHBondContact OG1-CA 3.41Å
213V97.5Very high96.4Very high0 Ų014.5 Ų14.50%08%0.08CC..EExtended strand (participates in β ladder)trans-161.7155.2-177.172.70000111T211 F267 G270 T272 W277 E300T211-V213 HydrophobicContact CG2-CG1 3.85Å; V213-F267 HydrophobicContact CB-CD1 4.39Å; V213-F267 HydrophobicContact CB-CD2 3.58Å; V213-F267 HydrophobicContact CB-CE1 4.36Å; V213-F267 HydrophobicContact CB-CE2 3.54Å; V213-F267 HydrophobicContact CB-CG 3.99Å; V213-F267 HydrophobicContact CB-CZ 3.93Å; V213-F267 HydrophobicContact CG1-CD2 4.31Å; V213-F267 HydrophobicContact CG1-CE1 4.3Å; V213-F267 HydrophobicContact CG1-CE2 3.77Å; V213-F267 HydrophobicContact CG1-CZ 3.74Å; V213-F267 HydrophobicContact CG2-CB 3.95Å; V213-F267 HydrophobicContact CG2-CD1 3.66Å; V213-F267 HydrophobicContact CG2-CD2 3.62Å; V213-F267 HydrophobicContact CG2-CE1 3.95Å; V213-F267 HydrophobicContact CG2-CE2 3.91Å; V213-F267 HydrophobicContact CG2-CG 3.46Å; V213-F267 VanDerWaalsContact CG2-CG 3.46Å; V213-F267 HydrophobicContact CG2-CZ 4.05Å; V213-G270 WeakPolarHBondContact CG2-O 3.38Å; V213-T272 HydrophobicContact CG1-CG2 4.28Å; V213-T272 HydrophobicContact CG2-CG2 3.9Å; V213-W277 HydrophobicContact CG1-CH2 4.38Å; V213-W277 HydrophobicContact CG1-CZ3 4.17Å; V213-E300 HydrophobicContact CG1-CB 3.97Å; V213-E300 HydrophobicContact CG1-CG 3.98Å; V213-E300 PolarHBondContact N-O 3.49Å; V213-E300 VanDerWaalsContact N-O 3.1Å; V213-E300 PolarHBondContact O-N 3.44Å
214V98.7Very high96.1Very high0 Ų015.7 Ų15.70%09%0.093CC..EExtended strand (participates in β ladder)trans-98.8111.4161.6-169.30000109.8A241 Y244 A245 M251 G270 M271 T272 V297 T298 I299V214-A241 HydrophobicContact CB-CB 3.85Å; V214-A241 HydrophobicContact CG1-CB 3.63Å; V214-Y244 HydrophobicContact CG2-CD1 3.7Å; V214-Y244 HydrophobicContact CG2-CG 4.18Å; V214-A245 HydrophobicContact CG2-CB 4.34Å; V214-M251 HydrophobicContact CG2-SD 3.68Å; V214-G270 PolarHBondContact N-O 3.2Å; V214-M271 CarbonylContact O-C 3.52Å; V214-M271 WeakPolarHBondContact O-CA 3.48Å; V214-M271 WeakPolarHBondContact O-CB 3.41Å; V214-T272 PolarHBondContact O-N 3.21Å; V214-V297 HydrophobicContact CG1-CB 4Å; V214-V297 HydrophobicContact CG1-CG2 4.01Å; V214-T298 CarbonylContact C-O 3.38Å; V214-I299 HydrophobicContact CG1-CG1 4.09Å; V214-I299 HydrophobicContact CG2-CG1 4.41Å
215N98.3Very high95.9Very high7 Ų722 Ų224%0.03712%0.122CC..EExtended strand (participates in β ladder)trans-85.7140.5174.9176.981.3000110.3D219 T272 G274 Q285 T298N215-D219 PolarHBondContact ND2-OD1 3.28Å; N215-T272 CarbonylContact C-O 3.54Å; N215-T272 WeakPolarHBondContact CA-O 3.41Å; N215-T272 HydrophobicContact CB-CG2 4.19Å; N215-G274 WeakPolarHBondContact OD1-CA 3.32Å; N215-G274 PolarHBondContact OD1-N 3.16Å; N215-Q285 PolarHBondContact ND2-NE2 2.82Å; N215-Q285 PolarHBondContact ND2-OE1 3.29Å; N215-Q285 VanDerWaalsContact ND2-OE1 3.1Å; N215-Q285 PolarHBondContact O-OE1 3.44Å; N215-T298 HydrophobicContact CB-CG2 4.23Å; N215-T298 PolarHBondContact N-O 3.2Å; N215-T298 PolarHBondContact O-N 2.88Å
216Y98.6Very high95.7Very high14 Ų1425 Ų256%0.05515%0.147CC..EExtended strand (participates in β ladder)trans-138.5157.318061.9-98.9000114E234 F237 K238 A241 M271 T272 N273 G274Y216-E234 HydrophobicContact CE2-CG 4.02Å; Y216-F237 HydrophobicContact CD2-CB 4.17Å; Y216-F237 HydrophobicContact CG-CB 4.2Å; Y216-K238 HydrophobicContact CE1-CG 4.09Å; Y216-K238 HydrophobicContact CE2-CG 4.12Å; Y216-K238 WeakPolarHBondContact OH-CE 3.46Å; Y216-A241 HydrophobicContact CD1-CB 4.06Å; Y216-M271 HydrophobicContact CD1-CB 4.34Å; Y216-M271 HydrophobicContact CE1-CB 4.06Å; Y216-M271 HydrophobicContact CE1-CG 4.27Å; Y216-M271 HydrophobicContact CE1-SD 4.33Å; Y216-T272 WeakPolarHBondContact CD1-O 3.45Å; Y216-T272 VanDerWaalsContact CE1-O 3.25Å; Y216-T272 WeakPolarHBondContact CE1-O 3.36Å; Y216-T272 PolarHBondContact N-O 3.25Å; Y216-N273 HydrophobicContact CD2-CB 4.3Å; Y216-N273 HydrophobicContact CE2-CB 3.63Å; Y216-N273 WeakPolarHBondContact O-CA 3.37Å; Y216-G274 PolarHBondContact O-N 2.85Å
217P98.4Very high95.5Very high0 Ų029.3 Ų29.30%017%0.166CC..SBendtrans-59.2155.3-174.5-30.938.2000116.7A231 F237 N273 Q285P217-A231 HydrophobicContact CB-CB 3.86Å; P217-A231 PolarHBondContact O-N 3.1Å; P217-F237 HydrophobicContact CB-CD2 4.48Å; P217-F237 HydrophobicContact CB-CE2 4.16Å; P217-F237 HydrophobicContact CB-CZ 4.29Å; P217-F237 HydrophobicContact CG-CD1 4.18Å; P217-F237 HydrophobicContact CG-CD2 4.43Å; P217-F237 HydrophobicContact CG-CE1 3.77Å; P217-F237 HydrophobicContact CG-CE2 4.04Å; P217-F237 HydrophobicContact CG-CZ 3.69Å; P217-N273 PolarHBondContact O-ND2 2.73Å; P217-Q285 HydrophobicContact CG-CG 3.83Å
218Y97.8Very high95.4Very high18 Ų1834.5 Ų34.57%0.07119%0.186CC..  cis-82.5153-9.8-68.6-65.5000112.1R176 N229 A231 N273 G274 A275 D286 Y289 L290R176-Y218 VanDerWaalsContact NH1-CB 3.34Å; R176-Y218 VanDerWaalsContact NH1-CD2 3.32Å; Y218-N229 PolarHBondContact N-O 3.2Å; Y218-N229 VanDerWaalsContact N-O 3.13Å; Y218-A231 HydrophobicContact CD2-CB 4.12Å; Y218-A231 HydrophobicContact CE1-CB 4.43Å; Y218-A231 VanDerWaalsContact CE2-CA 3.5Å; Y218-A231 HydrophobicContact CE2-CB 3.93Å; Y218-A231 HydrophobicContact CG-CB 4.47Å; Y218-N273 PolarHBondContact N-ND2 3.25Å; Y218-N273 PolarHBondContact O-ND2 2.74Å; Y218-G274 PolarHBondContact O-N 3.36Å; Y218-A275 WeakPolarHBondContact O-CB 3.31Å; Y218-A275 PolarHBondContact O-N 3.34Å; Y218-D286 HydrophobicContact CD1-CB 4.38Å; Y218-Y289 AromaticContact CE1-CD1 3.75Å; Y218-Y289 HydrophobicContact CE1-CD1 3.75Å; Y218-Y289 HydrophobicContact CE1-CE1 4.04Å; Y218-Y289 AromaticContact CZ-CE1 3.89Å; Y218-Y289 WeakPolarHBondContact OH-CE1 3.47Å; Y218-L290 HydrophobicContact CE1-CD1 4.1Å; Y218-L290 HydrophobicContact CE1-CD2 3.86Å; Y218-L290 HydrophobicContact CE1-CG 3.99Å; Y218-L290 WeakPolarHBondContact OH-CD2 3.48Å
219D97.2Very high95.2Very high3 Ų335.8 Ų35.82%0.01619%0.193CC..  trans-86.3-22.8172.7-69-27.2000112.3N215 G274 T279 L280 Q285 D286N215-D219 PolarHBondContact ND2-OD1 3.28Å; D219-G274 WeakPolarHBondContact OD1-CA 3.34Å; D219-T279 CarbonylContact O-C 3.3Å; D219-T279 VanDerWaalsContact O-CA 3.28Å; D219-T279 WeakPolarHBondContact O-CA 3.34Å; D219-L280 CarbonylContact C-O 3.55Å; D219-L280 HydrophobicContact CB-CB 4.09Å; D219-L280 HydrophobicContact CB-CD2 4.07Å; D219-L280 WeakPolarHBondContact CB-O 3.44Å; D219-L280 PolarHBondContact O-N 2.88Å; D219-Q285 PolarHBondContact OD1-NE2 2.95Å; D219-Q285 PolarHBondContact OD2-NE2 2.82Å; D219-D286 PolarHBondContact N-OD1 3.39Å; D219-D286 PolarHBondContact N-OD2 3.04Å
220D93.7Very high95.2Very high2 Ų238.3 Ų38.31%0.01121%0.209CC..  trans-115.3166.1-178.767.214.6000114.7R176 F177 N229 L280 S281R176-D220 IonicContact CZ-OD1 2.63Å; R176-D220 IonicContact NE-OD1 3.64Å; R176-D220 PolarHBondContact NH1-O 3.44Å; R176-D220 IonicContact NH1-OD1 3.13Å; R176-D220 PolarHBondContact NH1-OD1 2.65Å; F177-D220 HydrophobicContact CD2-CB 4.35Å; F177-D220 WeakPolarHBondContact CE2-OD1 3.36Å; D220-N229 PolarHBondContact O-ND2 3.25Å; D220-L280 WeakPolarHBondContact CB-O 3.25Å; D220-S281 WeakPolarHBondContact CB-OG 3.29Å
221T93Very high95.4Very high0 Ų037.4 Ų37.40%020%0.2CC..  trans-130.7158.9173.670.60000110.3F177 T223 G224 E225 F227 N229 A275 T279F177-T221 VanDerWaalsContact CD2-O 3.31Å; F177-T221 WeakPolarHBondContact CD2-O 3.49Å; F177-T221 WeakPolarHBondContact CE2-O 3.25Å; T221-T223 PolarHBondContact O-N 2.79Å; T221-G224 PolarHBondContact O-N 3.13Å; T221-G224 PolarHBondContact OG1-N 3.2Å; T221-G224 VanDerWaalsContact OG1-N 3.12Å; T221-E225 WeakPolarHBondContact CB-O 3.44Å; T221-E225 WeakPolarHBondContact CG2-O 3.32Å; T221-E225 PolarHBondContact OG1-N 2.67Å; T221-E225 VanDerWaalsContact OG1-N 3.12Å; T221-E225 PolarHBondContact OG1-O 2.87Å; T221-F227 VanDerWaalsContact CB-CE1 3.47Å; T221-F227 HydrophobicContact CG2-CD1 3.94Å; T221-F227 HydrophobicContact CG2-CD2 4.33Å; T221-F227 HydrophobicContact CG2-CE1 3.64Å; T221-F227 HydrophobicContact CG2-CE2 4.05Å; T221-F227 HydrophobicContact CG2-CG 4.28Å; T221-F227 HydrophobicContact CG2-CZ 3.7Å; T221-N229 HydrophobicContact CG2-CB 3.94Å; T221-A275 HydrophobicContact CG2-CB 3.62Å; T221-T279 HydrophobicContact CG2-CG2 4.12Å
222E90Very high95.4Very high137 Ų13739.3 Ų39.364%0.6421%0.212SC*.THydrogen-bonded Turntrans-63.9-29.6-177.9-173.6171.4-172.500112.6F177 Q179 F180F177-E222 HydrophobicContact CD1-CB 4.2Å; F177-E222 HydrophobicContact CD1-CG 4.09Å; F177-E222 HydrophobicContact CE1-CB 3.51Å; F177-E222 HydrophobicContact CE1-CG 3.65Å; F177-E222 HydrophobicContact CE2-CB 4.3Å; F177-E222 VanDerWaalsContact CE2-N 3.31Å; F177-E222 HydrophobicContact CZ-CB 3.56Å; F177-E222 HydrophobicContact CZ-CG 4.24Å; Q179-E222 PolarHBondContact NE2-O 3.23Å; F180-E222 WeakPolarHBondContact CE2-O 3.27Å
223T92.6Very high95.4Very high80 Ų8038.6 Ų38.649%0.49121%0.208SC..THydrogen-bonded Turntrans-90.1-14.8178.864.30000113.2T221 E225T221-T223 PolarHBondContact O-N 2.79Å; T223-E225 PolarHBondContact O-N 3.2Å; T223-E225 WeakPolarHBondContact OG1-CB 3.18Å; T223-E225 PolarHBondContact OG1-N 2.98Å
224G91.3Very high95.4Very high26 Ų2640 Ų4027%0.26821%0.214SC..SBendtrans74.39-169.800000113.7T221 T279T221-G224 PolarHBondContact O-N 3.13Å; T221-G224 PolarHBondContact OG1-N 3.2Å; T221-G224 VanDerWaalsContact OG1-N 3.12Å; G224-T279 PolarHBondContact O-OG1 3.17Å; G224-T279 VanDerWaalsContact O-OG1 3.1Å
225E94.4Very high95.4Very high132 Ų13242.1 Ų42.162%0.61723%0.229SC*.  trans-93.4146.1175-61.8-179.6151.600111.4T221 T223 F227 T279T221-E225 WeakPolarHBondContact CB-O 3.44Å; T221-E225 WeakPolarHBondContact CG2-O 3.32Å; T221-E225 PolarHBondContact OG1-N 2.67Å; T221-E225 VanDerWaalsContact OG1-N 3.12Å; T221-E225 PolarHBondContact OG1-O 2.87Å; T223-E225 PolarHBondContact O-N 3.2Å; T223-E225 WeakPolarHBondContact OG1-CB 3.18Å; T223-E225 PolarHBondContact OG1-N 2.98Å; E225-F227 HydrophobicContact CB-CD1 4.31Å; E225-F227 WeakPolarHBondContact O-CD1 3.11Å; E225-F227 PolarHBondContact O-N 3.11Å; E225-T279 WeakPolarHBondContact O-CG2 3.22Å
226A94.9Very high95.4Very high64 Ų6441.8 Ų41.853%0.52923%0.228SC..  trans-76.3107.6-179.700000111.1A275 T279A226-A275 CarbonylContact C-O 3.49Å; A226-A275 VanDerWaalsContact CA-O 3.24Å; A226-A275 WeakPolarHBondContact CA-O 3.06Å; A226-A275 WeakPolarHBondContact CB-O 3.31Å; A226-T279 HydrophobicContact CB-CG2 4.42Å
227F94.7Very high95.4Very high90 Ų9041.1 Ų41.140%0.39523%0.225SC..  trans-151.7164.7169.362.3-93.2000109.4T221 E225 N229 A275T221-F227 VanDerWaalsContact CB-CE1 3.47Å; T221-F227 HydrophobicContact CG2-CD1 3.94Å; T221-F227 HydrophobicContact CG2-CD2 4.33Å; T221-F227 HydrophobicContact CG2-CE1 3.64Å; T221-F227 HydrophobicContact CG2-CE2 4.05Å; T221-F227 HydrophobicContact CG2-CG 4.28Å; T221-F227 HydrophobicContact CG2-CZ 3.7Å; E225-F227 HydrophobicContact CB-CD1 4.31Å; E225-F227 WeakPolarHBondContact O-CD1 3.11Å; E225-F227 PolarHBondContact O-N 3.11Å; F227-N229 HydrophobicContact CE2-CB 4.35Å; F227-N229 PolarHBondContact O-N 3.15Å; F227-N229 VanDerWaalsContact O-N 3.15Å; F227-A275 PolarHBondContact N-O 3.47Å; F227-A275 CarbonylContact O-C 3.57Å; F227-A275 VanDerWaalsContact O-CB 3.23Å; F227-A275 WeakPolarHBondContact O-CB 3.22Å
228Y96.3Very high95.3Very high111 Ų11142.8 Ų42.844%0.43523%0.232SC..  trans-62.2116.6-179.3-179.9-114.5000112.5P230 E234 K238 N273 V276Y228-P230 HydrophobicContact CD1-CG 4.43Å; Y228-P230 HydrophobicContact CE1-CB 4.3Å; Y228-P230 HydrophobicContact CE1-CG 3.92Å; Y228-E234 WeakPolarHBondContact CE2-OE1 3.47Å; Y228-E234 PolarHBondContact OH-OE1 2.89Å; Y228-E234 PolarHBondContact OH-OE2 2.98Å; Y228-K238 PolarHBondContact OH-NZ 3.4Å; Y228-N273 HydrophobicContact CD2-CB 3.95Å; Y228-N273 HydrophobicContact CE2-CB 4.07Å; Y228-V276 VanDerWaalsContact CA-CG2 3.41Å; Y228-V276 HydrophobicContact CD2-CG2 3.64Å; Y228-V276 HydrophobicContact CG-CG2 4.13Å
229N95.5Very high95.3Very high28 Ų2842 Ų4215%0.1523%0.229CC..  trans-133.683.4-176.4-163.423.1000110.7R176 Y218 D220 T221 F227 N273 A275R176-N229 PolarHBondContact NH1-ND2 3.33Å; R176-N229 VanDerWaalsContact NH1-ND2 3.18Å; R176-N229 PolarHBondContact NH2-ND2 3.12Å; Y218-N229 PolarHBondContact N-O 3.2Å; Y218-N229 VanDerWaalsContact N-O 3.13Å; D220-N229 PolarHBondContact O-ND2 3.25Å; T221-N229 HydrophobicContact CG2-CB 3.94Å; F227-N229 HydrophobicContact CE2-CB 4.35Å; F227-N229 PolarHBondContact O-N 3.15Å; F227-N229 VanDerWaalsContact O-N 3.15Å; N229-N273 PolarHBondContact N-OD1 2.87Å; N229-N273 PolarHBondContact O-ND2 2.82Å; N229-N273 VanDerWaalsContact O-ND2 3.08Å; N229-A275 HydrophobicContact CB-CB 3.8Å
230P95.9Very high95.4Very high52 Ų5241.9 Ų41.934%0.33823%0.228SC..  trans-72.3141.5-173.429.6-35.1000111.9Y228 E234Y228-P230 HydrophobicContact CD1-CG 4.43Å; Y228-P230 HydrophobicContact CE1-CB 4.3Å; Y228-P230 HydrophobicContact CE1-CG 3.92Å; P230-E234 HydrophobicContact CB-CB 4.06Å; P230-E234 HydrophobicContact CB-CG 4.09Å
231A95Very high95.6Very high5 Ų541.8 Ų41.84%0.04123%0.228CC..  trans-67.5153.1163.900000111.6P217 Y218 D233 E234 F237 Y289P217-A231 HydrophobicContact CB-CB 3.86Å; P217-A231 PolarHBondContact O-N 3.1Å; Y218-A231 HydrophobicContact CD2-CB 4.12Å; Y218-A231 HydrophobicContact CE1-CB 4.43Å; Y218-A231 VanDerWaalsContact CE2-CA 3.5Å; Y218-A231 HydrophobicContact CE2-CB 3.93Å; Y218-A231 HydrophobicContact CG-CB 4.47Å; A231-D233 PolarHBondContact O-N 2.98Å; A231-D233 VanDerWaalsContact O-N 3.1Å; A231-E234 VanDerWaalsContact O-CB 3.32Å; A231-E234 WeakPolarHBondContact O-CB 3.1Å; A231-E234 PolarHBondContact O-N 3.36Å; A231-F237 HydrophobicContact CB-CD2 4.01Å; A231-F237 HydrophobicContact CB-CE2 3.81Å; A231-Y289 HydrophobicContact CB-CD1 4.31Å; A231-Y289 HydrophobicContact CB-CE1 3.65Å
232P93.7Very high95.8Very high42 Ų4242.3 Ų42.327%0.27323%0.23SC..THydrogen-bonded Turntrans-52.8-33.5175.7-29.636.7000114.1E234 I356 S357 H358P232-E234 VanDerWaalsContact C-N 3.34Å; P232-I356 HydrophobicContact CB-CG2 4.02Å; P232-S357 WeakPolarHBondContact CB-OG 3.21Å; P232-S357 WeakPolarHBondContact CG-OG 3.35Å; P232-H358 HydrophobicContact CB-CB 3.79Å; P232-H358 HydrophobicContact CG-CB 4.09Å
233D97Very high96.2Very high0 Ų036 Ų360%020%0.201CC..THydrogen-bonded Turntrans-9225.5177.1-75.2-67.9000114.2A231 S235 V236 F237 Y289 F295 I356 H358 R370A231-D233 PolarHBondContact O-N 2.98Å; A231-D233 VanDerWaalsContact O-N 3.1Å; D233-S235 PolarHBondContact O-N 2.65Å; D233-V236 HydrophobicContact CB-CB 4.45Å; D233-V236 WeakPolarHBondContact O-CB 3.38Å; D233-V236 PolarHBondContact O-N 2.87Å; D233-F237 HydrophobicContact CB-CD2 4.21Å; D233-F237 HydrophobicContact CB-CE2 4.01Å; D233-F237 WeakPolarHBondContact O-CD2 3.36Å; D233-F237 PolarHBondContact O-N 2.66Å; D233-F237 VanDerWaalsContact O-N 3.14Å; D233-Y289 HydrophobicContact CB-CE2 4.15Å; D233-Y289 WeakPolarHBondContact CB-OH 3.16Å; D233-Y289 PolarHBondContact N-OH 3.43Å; D233-Y289 WeakPolarHBondContact OD2-CE2 3.38Å; D233-Y289 PolarHBondContact OD2-OH 3.3Å; D233-F295 HydrophobicContact CB-CD1 4.41Å; D233-F295 HydrophobicContact CB-CE1 3.61Å; D233-F295 HydrophobicContact CB-CZ 4.41Å; D233-I356 WeakPolarHBondContact OD1-CG2 3.45Å; D233-H358 WeakPolarHBondContact OD2-CB 3.33Å; D233-H358 IonicContact OD2-CD2 3.39Å; D233-H358 PolarHBondContact OD2-CD2 2.99Å; D233-H358 VanDerWaalsContact OD2-CD2 3.24Å; D233-H358 IonicContact OD2-CG 3.87Å; D233-R370 VanDerWaalsContact CG-NH2 3.26Å; D233-R370 IonicContact OD1-CZ 3.54Å; D233-R370 IonicContact OD1-NH1 3.28Å; D233-R370 PolarHBondContact OD1-NH1 3.09Å; D233-R370 IonicContact OD1-NH2 2.81Å; D233-R370 PolarHBondContact OD1-NH2 2.88Å; D233-R370 IonicContact OD2-CZ 3.53Å; D233-R370 IonicContact OD2-NH1 3.08Å; D233-R370 PolarHBondContact OD2-NH1 3.47Å; D233-R370 IonicContact OD2-NH2 3.78Å; D233-R370 PolarHBondContact OD2-NH2 3.28Å; D233-R370 VanDerWaalsContact OD2-NH2 3.09Å
234E97.7Very high96.4Very high29 Ų2932.2 Ų32.214%0.13618%0.178CC..Hα-helixtrans-52.9-37.5-174-168.5-166-147.200113.9Y216 Y228 P230 A231 P232 V236 F237 K238Y216-E234 HydrophobicContact CE2-CG 4.02Å; Y228-E234 WeakPolarHBondContact CE2-OE1 3.47Å; Y228-E234 PolarHBondContact OH-OE1 2.89Å; Y228-E234 PolarHBondContact OH-OE2 2.98Å; P230-E234 HydrophobicContact CB-CB 4.06Å; P230-E234 HydrophobicContact CB-CG 4.09Å; A231-E234 VanDerWaalsContact O-CB 3.32Å; A231-E234 WeakPolarHBondContact O-CB 3.1Å; A231-E234 PolarHBondContact O-N 3.36Å; P232-E234 VanDerWaalsContact C-N 3.34Å; E234-V236 PolarHBondContact O-N 3.49Å; E234-F237 PolarHBondContact O-N 3.47Å; E234-F237 VanDerWaalsContact O-N 3.13Å; E234-K238 HydrophobicContact CG-CD 3.88Å; E234-K238 HydrophobicContact CG-CG 4.16Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.87Å; E234-K238 WeakPolarHBondContact OE1-CE 3.21Å; E234-K238 IonicContact OE1-NZ 2.85Å; E234-K238 PolarHBondContact OE1-NZ 3.37Å; E234-K238 IonicContact OE2-NZ 3.43Å; E234-K238 PolarHBondContact OE2-NZ 3.28Å
235S97.3Very high96.8Very high44 Ų4431 Ų3131%0.30817%0.165SC..Hα-helixtrans-58.5-38.7178.158.80000112.2D233 M239 V373D233-S235 PolarHBondContact O-N 2.65Å; S235-M239 WeakPolarHBondContact O-CB 3.37Å; S235-M239 PolarHBondContact O-N 3.41Å; S235-M239 VanDerWaalsContact O-N 3.1Å; S235-V373 VanDerWaalsContact C-CG1 3.48Å; S235-V373 WeakPolarHBondContact O-CG1 3.28Å
236V97.8Very high96.9Very high1 Ų124.7 Ų24.71%0.00614%0.136CC..Hα-helixtrans-68-47.9174.3177.20000109.8D233 E234 K238 M239 L240 F295 L371 V373D233-V236 HydrophobicContact CB-CB 4.45Å; D233-V236 WeakPolarHBondContact O-CB 3.38Å; D233-V236 PolarHBondContact O-N 2.87Å; E234-V236 PolarHBondContact O-N 3.49Å; V236-K238 PolarHBondContact O-N 3.44Å; V236-M239 HydrophobicContact CG1-CE 4.24Å; V236-M239 WeakPolarHBondContact O-CB 3.33Å; V236-M239 PolarHBondContact O-N 3.04Å; V236-M239 VanDerWaalsContact O-N 3.13Å; V236-L240 HydrophobicContact CG1-CD1 3.95Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 VanDerWaalsContact O-CG 3.3Å; V236-L240 WeakPolarHBondContact O-CG 3.25Å; V236-L240 PolarHBondContact O-N 3.07Å; V236-F295 HydrophobicContact CB-CD1 4.48Å; V236-F295 HydrophobicContact CB-CE1 4.17Å; V236-F295 HydrophobicContact CG1-CD1 3.87Å; V236-F295 HydrophobicContact CG1-CE1 3.84Å; V236-L371 HydrophobicContact CG1-CB 3.76Å; V236-L371 HydrophobicContact CG1-CD1 4.35Å; V236-V373 HydrophobicContact CG2-CG1 4.08Å
237F98.6Very high97Very high0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-60.5-43.6179.7-75.6-60.5000113.2Y216 P217 A231 D233 E234 M239 L240 A241 Y289 F295 E296 V297Y216-F237 HydrophobicContact CD2-CB 4.17Å; Y216-F237 HydrophobicContact CG-CB 4.2Å; P217-F237 HydrophobicContact CB-CD2 4.48Å; P217-F237 HydrophobicContact CB-CE2 4.16Å; P217-F237 HydrophobicContact CB-CZ 4.29Å; P217-F237 HydrophobicContact CG-CD1 4.18Å; P217-F237 HydrophobicContact CG-CD2 4.43Å; P217-F237 HydrophobicContact CG-CE1 3.77Å; P217-F237 HydrophobicContact CG-CE2 4.04Å; P217-F237 HydrophobicContact CG-CZ 3.69Å; A231-F237 HydrophobicContact CB-CD2 4.01Å; A231-F237 HydrophobicContact CB-CE2 3.81Å; D233-F237 HydrophobicContact CB-CD2 4.21Å; D233-F237 HydrophobicContact CB-CE2 4.01Å; D233-F237 WeakPolarHBondContact O-CD2 3.36Å; D233-F237 PolarHBondContact O-N 2.66Å; D233-F237 VanDerWaalsContact O-N 3.14Å; E234-F237 PolarHBondContact O-N 3.47Å; E234-F237 VanDerWaalsContact O-N 3.13Å; F237-M239 VanDerWaalsContact C-N 3.34Å; F237-M239 PolarHBondContact O-N 2.74Å; F237-L240 HydrophobicContact CD1-CD1 4.48Å; F237-L240 PolarHBondContact O-N 3.33Å; F237-A241 VanDerWaalsContact O-CB 3.25Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.25Å; F237-Y289 HydrophobicContact CE2-CD1 4.31Å; F237-Y289 HydrophobicContact CE2-CD2 4.02Å; F237-Y289 HydrophobicContact CE2-CE1 4.15Å; F237-Y289 AromaticContact CE2-CE2 3.83Å; F237-Y289 HydrophobicContact CE2-CE2 3.83Å; F237-Y289 HydrophobicContact CE2-CG 4.25Å; F237-Y289 AromaticContact CE2-CZ 3.91Å; F237-Y289 HydrophobicContact CZ-CD1 4.32Å; F237-Y289 AromaticContact CZ-CD2 3.61Å; F237-Y289 HydrophobicContact CZ-CD2 3.61Å; F237-Y289 AromaticContact CZ-CE2 3.89Å; F237-Y289 HydrophobicContact CZ-CE2 3.89Å; F237-Y289 AromaticContact CZ-CG 3.85Å; F237-Y289 HydrophobicContact CZ-CG 3.85Å; F237-F295 HydrophobicContact CE1-CB 3.96Å; F237-F295 AromaticContact CE1-CD1 3.95Å; F237-F295 HydrophobicContact CE1-CD1 3.95Å; F237-F295 HydrophobicContact CE1-CG 4.37Å; F237-F295 HydrophobicContact CE2-CD1 4.19Å; F237-F295 HydrophobicContact CZ-CB 4.31Å; F237-F295 AromaticContact CZ-CD1 3.73Å; F237-F295 HydrophobicContact CZ-CD1 3.73Å; F237-F295 HydrophobicContact CZ-CG 4.29Å; F237-E296 WeakPolarHBondContact CE1-O 3.31Å; F237-V297 HydrophobicContact CD1-CG1 3.94Å
238K98Very high97.2Very high35 Ų3517.5 Ų17.515%0.1529%0.093CC..Hα-helixtrans-63.3-38.5174-77.1171.6167.6166.80112Y15 Y216 Y228 E234 V236 Y242 M271Y15-K238 HydrophobicContact CE1-CB 4.01Å; Y15-K238 WeakPolarHBondContact OH-CD 3.15Å; Y216-K238 HydrophobicContact CE1-CG 4.09Å; Y216-K238 HydrophobicContact CE2-CG 4.12Å; Y216-K238 WeakPolarHBondContact OH-CE 3.46Å; Y228-K238 PolarHBondContact OH-NZ 3.4Å; E234-K238 HydrophobicContact CG-CD 3.88Å; E234-K238 HydrophobicContact CG-CG 4.16Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.87Å; E234-K238 WeakPolarHBondContact OE1-CE 3.21Å; E234-K238 IonicContact OE1-NZ 2.85Å; E234-K238 PolarHBondContact OE1-NZ 3.37Å; E234-K238 IonicContact OE2-NZ 3.43Å; E234-K238 PolarHBondContact OE2-NZ 3.28Å; V236-K238 PolarHBondContact O-N 3.44Å; K238-Y242 WeakPolarHBondContact O-CB 3.29Å; K238-Y242 PolarHBondContact O-N 3.12Å; K238-M271 HydrophobicContact CB-SD 4.39Å; K238-M271 HydrophobicContact CG-SD 4.36Å
239M97.1Very high97.1Very high1 Ų113.9 Ų13.91%0.0058%0.082CC..Hα-helixtrans-61.7-47.6173.3176.4-172.265.900111.4W18 F20 S235 V236 F237 A243 R332 V373W18-M239 HydrophobicContact CE3-CB 4.31Å; W18-M239 HydrophobicContact CE3-CG 4.3Å; W18-M239 HydrophobicContact CZ3-CB 3.94Å; W18-M239 HydrophobicContact CZ3-CG 4.37Å; F20-M239 HydrophobicContact CE1-CG 3.81Å; F20-M239 WeakPolarHBondContact CE1-O 3.26Å; F20-M239 HydrophobicContact CZ-CB 4.46Å; F20-M239 HydrophobicContact CZ-CG 3.84Å; S235-M239 WeakPolarHBondContact O-CB 3.37Å; S235-M239 PolarHBondContact O-N 3.41Å; S235-M239 VanDerWaalsContact O-N 3.1Å; V236-M239 HydrophobicContact CG1-CE 4.24Å; V236-M239 WeakPolarHBondContact O-CB 3.33Å; V236-M239 PolarHBondContact O-N 3.04Å; V236-M239 VanDerWaalsContact O-N 3.13Å; F237-M239 VanDerWaalsContact C-N 3.34Å; F237-M239 PolarHBondContact O-N 2.74Å; M239-A243 VanDerWaalsContact O-CB 3.31Å; M239-A243 WeakPolarHBondContact O-CB 3.07Å; M239-A243 PolarHBondContact O-N 2.77Å; M239-R332 HydrophobicContact CE-CB 4.48Å; M239-R332 VanDerWaalsContact SD-CD 3.57Å; M239-V373 HydrophobicContact CB-CG1 4.16Å; M239-V373 HydrophobicContact CE-CG1 4.22Å; M239-V373 HydrophobicContact SD-CG1 3.97Å
240L98.1Very high97Very high0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-62.5-48178.5-67.1172.4000111.5L203 V236 F237 A243 Y244 F295 V297 F326 Q329 L371L203-L240 HydrophobicContact CD1-CD1 3.58Å; L203-L240 HydrophobicContact CD1-CD2 3.8Å; L203-L240 HydrophobicContact CD1-CG 4.28Å; L203-L240 HydrophobicContact CD2-CD2 4.27Å; V236-L240 HydrophobicContact CG1-CD1 3.95Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 VanDerWaalsContact O-CG 3.3Å; V236-L240 WeakPolarHBondContact O-CG 3.25Å; V236-L240 PolarHBondContact O-N 3.07Å; F237-L240 HydrophobicContact CD1-CD1 4.48Å; F237-L240 PolarHBondContact O-N 3.33Å; L240-A243 PolarHBondContact O-N 3.27Å; L240-Y244 PolarHBondContact O-N 3.34Å; L240-F295 HydrophobicContact CD1-CB 4.32Å; L240-V297 HydrophobicContact CB-CG1 4.48Å; L240-F326 HydrophobicContact CB-CE2 4.31Å; L240-Q329 HydrophobicContact CD2-CB 3.41Å; L240-Q329 VanDerWaalsContact CD2-CB 3.41Å; L240-Q329 HydrophobicContact CD2-CG 3.95Å; L240-L371 HydrophobicContact CD1-CD1 4.35Å
241A98.5Very high96.9Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-60.4-47.717900000111.6V214 Y216 F237 Y244 A245 M271V214-A241 HydrophobicContact CB-CB 3.85Å; V214-A241 HydrophobicContact CG1-CB 3.63Å; Y216-A241 HydrophobicContact CD1-CB 4.06Å; F237-A241 VanDerWaalsContact O-CB 3.25Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.25Å; A241-Y244 PolarHBondContact O-N 2.86Å; A241-A245 WeakPolarHBondContact O-CB 3.5Å; A241-A245 PolarHBondContact O-N 2.96Å; A241-M271 HydrophobicContact CB-CB 3.85Å; A241-M271 HydrophobicContact CB-SD 4.21Å
242Y97.7Very high96.9Very high11 Ų1114 Ų144%0.0438%0.078CC..Hα-helixtrans-68.3-35.9178.5-169.8-103.2000112.7K14 Y15 F20 K238 Y244 A245 R246 N269K14-Y242 PolarHBondContact O-OH 3.43Å; Y15-Y242 HydrophobicContact CD1-CD1 4.32Å; Y15-Y242 HydrophobicContact CD1-CG 4.21Å; Y15-Y242 HydrophobicContact CD2-CD2 4.43Å; Y15-Y242 AromaticContact CG-CD1 3.96Å; Y15-Y242 HydrophobicContact CG-CD1 3.96Å; Y15-Y242 HydrophobicContact CG-CD2 4.27Å; Y15-Y242 HydrophobicContact CG-CE1 4.24Å; Y15-Y242 AromaticContact CG-CG 3.94Å; Y15-Y242 HydrophobicContact CG-CG 3.94Å; F20-Y242 HydrophobicContact CB-CD1 4.15Å; F20-Y242 HydrophobicContact CB-CE1 4.04Å; F20-Y242 HydrophobicContact CD1-CD1 4.08Å; F20-Y242 AromaticContact CD2-CD1 3.42Å; F20-Y242 HydrophobicContact CD2-CD1 3.42Å; F20-Y242 VanDerWaalsContact CD2-CD1 3.42Å; F20-Y242 AromaticContact CD2-CE1 3.53Å; F20-Y242 HydrophobicContact CD2-CE1 3.53Å; F20-Y242 HydrophobicContact CE1-CD1 4.31Å; F20-Y242 AromaticContact CE2-CD1 3.67Å; F20-Y242 HydrophobicContact CE2-CD1 3.67Å; F20-Y242 HydrophobicContact CE2-CE1 4.12Å; F20-Y242 AromaticContact CG-CD1 3.61Å; F20-Y242 HydrophobicContact CG-CD1 3.61Å; F20-Y242 AromaticContact CG-CE1 3.87Å; F20-Y242 HydrophobicContact CG-CE1 3.87Å; F20-Y242 HydrophobicContact CZ-CD1 4.1Å; K238-Y242 WeakPolarHBondContact O-CB 3.29Å; K238-Y242 PolarHBondContact O-N 3.12Å; Y242-Y244 VanDerWaalsContact C-N 3.3Å; Y242-Y244 PolarHBondContact O-N 3.41Å; Y242-A245 PolarHBondContact O-N 3.28Å; Y242-R246 HydrophobicContact CD1-CB 4.23Å; Y242-R246 HydrophobicContact CE1-CB 3.98Å; Y242-R246 HydrophobicContact CE1-CG 4.12Å; Y242-R246 WeakPolarHBondContact O-CB 3.24Å; Y242-R246 PolarHBondContact O-N 3.12Å; Y242-N269 HydrophobicContact CD2-CB 3.98Å; Y242-N269 HydrophobicContact CE2-CB 3.97Å
243A97.2Very high96.8Very high5 Ų514.3 Ų14.34%0.0418%0.079CC..Hα-helixtrans-58.6-43.1175.500000111.9F20 M239 L240 Q329F20-A243 HydrophobicContact CD1-CB 3.79Å; F20-A243 HydrophobicContact CE1-CB 3.96Å; M239-A243 VanDerWaalsContact O-CB 3.31Å; M239-A243 WeakPolarHBondContact O-CB 3.07Å; M239-A243 PolarHBondContact O-N 2.77Å; L240-A243 PolarHBondContact O-N 3.27Å; A243-Q329 HydrophobicContact CB-CG 4.03Å
244Y98.7Very high96.6Very high0 Ų016.8 Ų16.80%010%0.097CC..Hα-helixtrans-68.7-52.2175.2-172.7-79.2000111.5V214 L240 A241 Y242 R246 A247 H248 M251 I299 H319 S322 L323 F326V214-Y244 HydrophobicContact CG2-CD1 3.7Å; V214-Y244 HydrophobicContact CG2-CG 4.18Å; L240-Y244 PolarHBondContact O-N 3.34Å; A241-Y244 PolarHBondContact O-N 2.86Å; Y242-Y244 VanDerWaalsContact C-N 3.3Å; Y242-Y244 PolarHBondContact O-N 3.41Å; Y244-R246 PolarHBondContact O-N 3.27Å; Y244-A247 PolarHBondContact O-N 3.45Å; Y244-H248 PolarHBondContact O-N 3.31Å; Y244-M251 HydrophobicContact CD1-CE 4.42Å; Y244-M251 HydrophobicContact CD1-SD 3.82Å; Y244-M251 HydrophobicContact CE1-CE 3.97Å; Y244-M251 HydrophobicContact CE1-SD 3.98Å; Y244-I299 HydrophobicContact CD1-CD1 4.28Å; Y244-I299 HydrophobicContact CD1-CG2 4.11Å; Y244-I299 HydrophobicContact CD2-CD1 3.52Å; Y244-I299 HydrophobicContact CE1-CD1 4.29Å; Y244-I299 HydrophobicContact CE1-CG2 3.5Å; Y244-I299 VanDerWaalsContact CE1-CG2 3.5Å; Y244-I299 HydrophobicContact CE2-CD1 3.52Å; Y244-I299 HydrophobicContact CE2-CG2 4.37Å; Y244-I299 HydrophobicContact CG-CD1 3.93Å; Y244-H319 AromaticContact CE1-ND1 3.88Å; Y244-H319 AromaticContact CZ-ND1 3.75Å; Y244-H319 PolarHBondContact OH-ND1 2.8Å; Y244-S322 WeakPolarHBondContact CD2-O 3.47Å; Y244-S322 VanDerWaalsContact O-CB 3.3Å; Y244-S322 WeakPolarHBondContact O-CB 3.4Å; Y244-S322 PolarHBondContact O-OG 3.27Å; Y244-L323 HydrophobicContact CE2-CD2 3.94Å; Y244-L323 HydrophobicContact CE2-CG 4.1Å; Y244-F326 HydrophobicContact CD2-CB 3.82Å; Y244-F326 HydrophobicContact CD2-CD2 4.3Å; Y244-F326 HydrophobicContact CD2-CG 4.17Å
245A98Very high96.3Very high0 Ų016.1 Ų16.10%010%0.098CC..Hα-helixtrans-61-41.5-175.800000112.4V214 A241 Y242 A247 H248 M251 W252V214-A245 HydrophobicContact CG2-CB 4.34Å; A241-A245 WeakPolarHBondContact O-CB 3.5Å; A241-A245 PolarHBondContact O-N 2.96Å; Y242-A245 PolarHBondContact O-N 3.28Å; A245-A247 VanDerWaalsContact C-N 3.31Å; A245-A247 PolarHBondContact O-N 3.03Å; A245-H248 VanDerWaalsContact O-CB 3.24Å; A245-H248 WeakPolarHBondContact O-CB 3.38Å; A245-H248 PolarHBondContact O-N 3Å; A245-H248 VanDerWaalsContact O-N 3.12Å; A245-M251 HydrophobicContact CB-CB 4.43Å; A245-M251 HydrophobicContact CB-CG 3.93Å; A245-M251 HydrophobicContact CB-SD 4Å; A245-W252 WeakPolarHBondContact O-CB 3.3Å; A245-W252 PolarHBondContact O-N 3.4Å
246R97.1Very high96Very high1 Ų120 Ų200%0.00411%0.106CC..Hα-helixtrans-64.7-32.7-179.7-176.353.5-176.4162-6.8113.4D7 Y12 G13 F20 S22 H23 Y242 Y244 H248 W252D7-R246 PolarHBondContact O-NH1 3.48Å; D7-R246 PolarHBondContact O-NH2 2.9Å; D7-R246 IonicContact OD1-CZ 2.66Å; D7-R246 IonicContact OD1-NH2 3.29Å; D7-R246 PolarHBondContact OD1-NH2 3.03Å; D7-R246 VanDerWaalsContact OD1-NH2 3.08Å; Y12-R246 PolarHBondContact O-NH2 3.25Å; G13-R246 VanDerWaalsContact CA-NE 3.29Å; F20-R246 HydrophobicContact CB-CB 4.31Å; F20-R246 HydrophobicContact CB-CG 4.05Å; S22-R246 WeakPolarHBondContact CA-O 3.3Å; H23-R246 PolarHBondContact N-O 2.91Å; Y242-R246 HydrophobicContact CD1-CB 4.23Å; Y242-R246 HydrophobicContact CE1-CB 3.98Å; Y242-R246 HydrophobicContact CE1-CG 4.12Å; Y242-R246 WeakPolarHBondContact O-CB 3.24Å; Y242-R246 PolarHBondContact O-N 3.12Å; Y244-R246 PolarHBondContact O-N 3.27Å; R246-H248 VanDerWaalsContact C-N 3.3Å; R246-W252 VanDerWaalsContact NH1-CD2 3.28Å; R246-W252 VanDerWaalsContact NH1-CZ2 3.31Å
247A97.5Very high95.6Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-79.4-13176.500000113.4H23 Y244 A245 S322 L325H23-A247 WeakPolarHBondContact CA-O 3.39Å; H23-A247 VanDerWaalsContact CB-O 3.31Å; H23-A247 WeakPolarHBondContact CB-O 3.45Å; H23-A247 PolarHBondContact ND1-O 2.75Å; Y244-A247 PolarHBondContact O-N 3.45Å; A245-A247 VanDerWaalsContact C-N 3.31Å; A245-A247 PolarHBondContact O-N 3.03Å; A247-S322 WeakPolarHBondContact CB-OG 3.32Å; A247-L325 HydrophobicContact CB-CD1 3.63Å
248H97.7Very high95.1Very high3 Ų322.5 Ų22.51%0.01412%0.12CC..SBendtrans-73.6156.7173.3-162.8-96.7000109.9Y244 A245 R246 D250 M251 W252 E318 H319 S322Y244-H248 PolarHBondContact O-N 3.31Å; A245-H248 VanDerWaalsContact O-CB 3.24Å; A245-H248 WeakPolarHBondContact O-CB 3.38Å; A245-H248 PolarHBondContact O-N 3Å; A245-H248 VanDerWaalsContact O-N 3.12Å; R246-H248 VanDerWaalsContact C-N 3.3Å; H248-D250 VanDerWaalsContact C-N 3.35Å; H248-D250 IonicContact CE1-OD1 3.43Å; H248-D250 PolarHBondContact CE1-OD1 3Å; H248-D250 PolarHBondContact ND1-N 2.89Å; H248-D250 IonicContact ND1-OD1 3.33Å; H248-D250 PolarHBondContact ND1-OD1 2.85Å; H248-D250 PolarHBondContact O-N 3.45Å; H248-M251 HydrophobicContact CB-CB 3.43Å; H248-M251 VanDerWaalsContact CB-CB 3.43Å; H248-M251 VanDerWaalsContact CG-CB 3.48Å; H248-M251 PolarHBondContact ND1-N 2.93Å; H248-M251 VanDerWaalsContact ND1-N 3.14Å; H248-W252 VanDerWaalsContact O-CD1 3.3Å; H248-E318 PolarHBondContact CD2-O 3.09Å; H248-H319 AromaticContact CD2-CE1 3.44Å; H248-H319 PolarHBondContact CD2-CE1 3.29Å; H248-H319 VanDerWaalsContact CD2-CE1 3.44Å; H248-H319 AromaticContact CD2-CG 3.84Å; H248-H319 AromaticContact CD2-ND1 3.42Å; H248-H319 PolarHBondContact CD2-ND1 2.91Å; H248-H319 AromaticContact CD2-NE2 3.91Å; H248-H319 AromaticContact NE2-CD2 3.58Å; H248-H319 AromaticContact NE2-CE1 3.18Å; H248-H319 PolarHBondContact NE2-CE1 2.86Å; H248-H319 AromaticContact NE2-CG 3.79Å; H248-H319 AromaticContact NE2-ND1 3.57Å; H248-H319 AromaticContact NE2-NE2 3.22Å; H248-H319 PolarHBondContact NE2-NE2 2.84Å; H248-S322 WeakPolarHBondContact CA-OG 3.45Å; H248-S322 PolarHBondContact N-OG 2.99Å
249T94.9Very high93.6Very high35 Ų3524.3 Ų24.322%0.21515%0.148CC..SBendtrans-60.6-43.1177.947.50000112.3W252 E318T249-W252 PolarHBondContact O-NE1 3.08Å; T249-E318 HydrophobicContact CG2-CB 4.24Å; T249-E318 HydrophobicContact CG2-CG 3.99Å; T249-E318 WeakPolarHBondContact OG1-CG 3.23Å
250D92.7Very high91.7Very high73 Ų7328.8 Ų28.839%0.3917%0.172SC..SBendtrans-141.60.8-173.767.9-10.3000115.9H248 W252 V253 R257H248-D250 VanDerWaalsContact C-N 3.35Å; H248-D250 IonicContact CE1-OD1 3.43Å; H248-D250 PolarHBondContact CE1-OD1 3Å; H248-D250 PolarHBondContact ND1-N 2.89Å; H248-D250 IonicContact ND1-OD1 3.33Å; H248-D250 PolarHBondContact ND1-OD1 2.85Å; H248-D250 PolarHBondContact O-N 3.45Å; D250-W252 VanDerWaalsContact C-N 3.31Å; D250-W252 PolarHBondContact O-N 3.46Å; D250-V253 PolarHBondContact O-N 3.29Å; D250-R257 PolarHBondContact O-NH1 2.83Å; D250-R257 PolarHBondContact O-NH2 3.22Å
251M95.6Very high89.8Confident0 Ų039 Ų390%021%0.211CC..THydrogen-bonded Turntrans-67.6-33.5-178.4-177.6-177.5-76.800110.9T212 V214 Y244 A245 H248 V253 R257 G270 E300T212-M251 HydrophobicContact CG2-CB 4.02Å; T212-M251 HydrophobicContact CG2-CE 3.54Å; T212-M251 HydrophobicContact CG2-CG 3.97Å; V214-M251 HydrophobicContact CG2-SD 3.68Å; Y244-M251 HydrophobicContact CD1-CE 4.42Å; Y244-M251 HydrophobicContact CD1-SD 3.82Å; Y244-M251 HydrophobicContact CE1-CE 3.97Å; Y244-M251 HydrophobicContact CE1-SD 3.98Å; A245-M251 HydrophobicContact CB-CB 4.43Å; A245-M251 HydrophobicContact CB-CG 3.93Å; A245-M251 HydrophobicContact CB-SD 4Å; H248-M251 HydrophobicContact CB-CB 3.43Å; H248-M251 VanDerWaalsContact CB-CB 3.43Å; H248-M251 VanDerWaalsContact CG-CB 3.48Å; H248-M251 PolarHBondContact ND1-N 2.93Å; H248-M251 VanDerWaalsContact ND1-N 3.14Å; M251-V253 VanDerWaalsContact C-N 3.26Å; M251-V253 PolarHBondContact O-N 3.29Å; M251-R257 PolarHBondContact O-NH2 3.35Å; M251-G270 WeakPolarHBondContact O-CA 3.45Å; M251-G270 PolarHBondContact O-N 3.31Å; M251-E300 WeakPolarHBondContact CE-O 3.44Å
252W93.8Very high87.8Confident13 Ų1348.3 Ų48.35%0.04925%0.251CS..THydrogen-bonded Turntrans-69.6-19.4177.663.8-85.3000114.6S3 D7 F8 A245 R246 H248 T249 D250 S254 N269S3-W252 WeakPolarHBondContact OG-CH2 3.41Å; D7-W252 WeakPolarHBondContact OD2-CZ3 3.15Å; F8-W252 HydrophobicContact CB-CH2 4.44Å; F8-W252 HydrophobicContact CB-CZ2 4.24Å; F8-W252 AromaticContact CD2-CZ2 3.84Å; F8-W252 HydrophobicContact CD2-CZ2 3.84Å; F8-W252 HydrophobicContact CG-CZ2 4.47Å; A245-W252 WeakPolarHBondContact O-CB 3.3Å; A245-W252 PolarHBondContact O-N 3.4Å; R246-W252 VanDerWaalsContact NH1-CD2 3.28Å; R246-W252 VanDerWaalsContact NH1-CZ2 3.31Å; H248-W252 VanDerWaalsContact O-CD1 3.3Å; T249-W252 PolarHBondContact O-NE1 3.08Å; D250-W252 VanDerWaalsContact C-N 3.31Å; D250-W252 PolarHBondContact O-N 3.46Å; W252-S254 PolarHBondContact O-N 3.32Å; W252-N269 CarbonylContact O-C 3.58Å; W252-N269 WeakPolarHBondContact O-CA 3.39Å
253V92.4Very high85.9Confident50 Ų5054.4 Ų54.430%0.30328%0.284SS..SBendtrans-69.7117.8-177.4-177.90000108.3D250 M251 G255 R257D250-V253 PolarHBondContact O-N 3.29Å; M251-V253 VanDerWaalsContact C-N 3.26Å; M251-V253 PolarHBondContact O-N 3.29Å; V253-G255 PolarHBondContact O-N 2.91Å; V253-R257 PolarHBondContact O-NH2 2.88Å
254S92.4Very high84.6Confident52 Ų5254.9 Ų54.936%0.36429%0.29SS..  trans-61.9125.1177.1-64.90000110.5W252 F267 N269W252-S254 PolarHBondContact O-N 3.32Å; S254-F267 VanDerWaalsContact CA-O 3.29Å; S254-F267 WeakPolarHBondContact CA-O 3.41Å; S254-N269 PolarHBondContact OG-N 3.23Å; S254-N269 PolarHBondContact OG-OD1 3.35Å
255G91.1Very high84Confident15 Ų1557.6 Ų57.616%0.15530%0.304CS..EExtended strand (participates in β ladder)trans169.4178.3-174.400000115V253 F267V253-G255 PolarHBondContact O-N 2.91Å; G255-F267 PolarHBondContact N-O 3.16Å; G255-F267 VanDerWaalsContact N-O 3.09Å; G255-F267 PolarHBondContact O-N 2.81Å; G255-F267 VanDerWaalsContact O-N 3.08Å
256Y90.8Very high83.7Confident126 Ų12662.5 Ų62.549%0.49433%0.326SS..EExtended strand (participates in β ladder)trans-72.6141.1174.4-68.7-80.2000111.6R261 G264 D265 F266Y256-R261 WeakPolarHBondContact CE1-O 3.48Å; Y256-G264 WeakPolarHBondContact CD1-O 3.3Å; Y256-D265 CarbonylContact C-O 3.46Å; Y256-D265 VanDerWaalsContact CA-O 3.31Å; Y256-D265 WeakPolarHBondContact CA-O 3.42Å; Y256-F266 HydrophobicContact CD1-CB 4Å; Y256-F266 HydrophobicContact CD1-CD2 4.18Å; Y256-F266 AromaticContact CD2-CD2 3.83Å; Y256-F266 HydrophobicContact CD2-CD2 3.83Å; Y256-F266 HydrophobicContact CD2-CE2 4.41Å; Y256-F266 HydrophobicContact CE1-CB 3.89Å; Y256-F266 HydrophobicContact CE1-CD2 4.12Å; Y256-F266 HydrophobicContact CE1-CG 4.48Å; Y256-F266 AromaticContact CE2-CD2 3.75Å; Y256-F266 HydrophobicContact CE2-CD2 3.75Å; Y256-F266 HydrophobicContact CE2-CE2 4.3Å; Y256-F266 HydrophobicContact CG-CD2 4.04Å; Y256-F266 AromaticContact CZ-CD2 3.9Å
257R89.7Confident83.5Confident22 Ų2262.8 Ų62.88%0.08333%0.327CS..  trans-104.8153.7174-58.2-56.3-176-161.7-20.7111.9T212 D250 M251 V253 G259 D265 F267T212-R257 WeakPolarHBondContact O-CG 3.42Å; T212-R257 PolarHBondContact O-NE 2.73Å; D250-R257 PolarHBondContact O-NH1 2.83Å; D250-R257 PolarHBondContact O-NH2 3.22Å; M251-R257 PolarHBondContact O-NH2 3.35Å; V253-R257 PolarHBondContact O-NH2 2.88Å; R257-G259 VanDerWaalsContact C-N 3.25Å; R257-G259 PolarHBondContact O-N 3.23Å; R257-D265 PolarHBondContact N-O 2.85Å; R257-F267 HydrophobicContact CG-CD2 3.65Å; R257-F267 HydrophobicContact CG-CE2 4.03Å
258C87Confident83.4Confident30 Ų3067.9 Ų67.920%0.20335%0.353CS..THydrogen-bonded Turntrans5825.7166.4-48.10000117.4R155 L260 C303R155-C258 PolarHBondContact NH2-O 3.12Å; C258-L260 PolarHBondContact O-N 3.05Å; C258-C303 WeakPolarHBondContact CA-SG 3.13Å; C258-C303 HydrophobicContact CB-CB 3.68Å; C258-C303 WeakPolarHBondContact CB-SG 3.43Å; C258-C303 PolarHBondContact N-SG 3.32Å; C258-C303 VanDerWaalsContact N-SG 3.44Å; C258-C303 WeakPolarHBondContact SG-CA 3.49Å; C258-C303 WeakPolarHBondContact SG-CB 3.46Å; C258-C303 CovalentContact SG-SG 2.03Å; C258-C303 PolarHBondContact SG-SG 3Å
259G67.5Low83.2Confident73 Ų7369.9 Ų69.975%0.75336%0.364SS*.THydrogen-bonded Turntrans83.84.3160.100000116.6R257R257-G259 VanDerWaalsContact C-N 3.25Å; R257-G259 PolarHBondContact O-N 3.23Å
260L57.7Low83.2Confident96 Ų9668.2 Ų68.250%0.50335%0.354SS..  trans-98.998.4171.6-62.1176.6000108.5C258 K262 D263 G264C258-L260 PolarHBondContact O-N 3.05Å; L260-K262 VanDerWaalsContact C-N 3.35Å; L260-K262 PolarHBondContact O-N 3.22Å; L260-D263 HydrophobicContact CB-CB 4.41Å; L260-D263 HydrophobicContact CD1-CB 4.49Å; L260-G264 VanDerWaalsContact CB-N 3.29Å; L260-G264 WeakPolarHBondContact O-CA 3.35Å; L260-G264 PolarHBondContact O-N 2.93Å
261R56.7Low83.4Confident215 Ų21565.6 Ų65.681%0.81134%0.339SS*.THydrogen-bonded Turntrans-70.1-28.8-178.4-77.5-173.4175-178.1-0.5113.8Y256Y256-R261 WeakPolarHBondContact CE1-O 3.48Å
262K56.6Low83.5Confident195 Ų19566.2 Ų66.285%0.84834%0.343SS*.THydrogen-bonded Turntrans-98.7-32.6179-81.2-170172.2-175.70113L260L260-K262 VanDerWaalsContact C-N 3.35Å; L260-K262 PolarHBondContact O-N 3.22Å
263D58.6Low83.7Confident138 Ų13865.7 Ų65.774%0.73834%0.341SS*.THydrogen-bonded Turntrans-119.89.3-173-46.4-48.8000113.2L260L260-D263 HydrophobicContact CB-CB 4.41Å; L260-D263 HydrophobicContact CD1-CB 4.49Å
264G71Confident84Confident16 Ų1663.3 Ų63.317%0.16533%0.327CS..SBendtrans-95.2156.9-179.400000112Y256 L260 F266Y256-G264 WeakPolarHBondContact CD1-O 3.3Å; L260-G264 VanDerWaalsContact CB-N 3.29Å; L260-G264 WeakPolarHBondContact O-CA 3.35Å; L260-G264 PolarHBondContact O-N 2.93Å; G264-F266 PolarHBondContact O-N 3.08Å
265D85.6Confident84.2Confident56 Ų5660.9 Ų60.930%0.29931%0.31SS..PPolyproline II helixtrans-63.7126.5179.1-51.5-51.3000110.6T211 Y256 R257 F267 W277T211-D265 PolarHBondContact OG1-OD2 3.13Å; Y256-D265 CarbonylContact C-O 3.46Å; Y256-D265 VanDerWaalsContact CA-O 3.31Å; Y256-D265 WeakPolarHBondContact CA-O 3.42Å; R257-D265 PolarHBondContact N-O 2.85Å; D265-F267 HydrophobicContact CB-CD2 4.07Å; D265-F267 HydrophobicContact CB-CE1 4.02Å; D265-F267 HydrophobicContact CB-CE2 3.28Å; D265-F267 HydrophobicContact CB-CZ 3.28Å; D265-W277 VanDerWaalsContact CG-NE1 3.28Å; D265-W277 PolarHBondContact OD1-NE1 2.84Å
266F90.7Very high84.4Confident104 Ų10463.5 Ų63.546%0.45632%0.323SS..EExtended strand (participates in β ladder)trans-102.8119.8171.3-175.7-84.3000109.2Y256 G264 I268Y256-F266 HydrophobicContact CD1-CB 4Å; Y256-F266 HydrophobicContact CD1-CD2 4.18Å; Y256-F266 AromaticContact CD2-CD2 3.83Å; Y256-F266 HydrophobicContact CD2-CD2 3.83Å; Y256-F266 HydrophobicContact CD2-CE2 4.41Å; Y256-F266 HydrophobicContact CE1-CB 3.89Å; Y256-F266 HydrophobicContact CE1-CD2 4.12Å; Y256-F266 HydrophobicContact CE1-CG 4.48Å; Y256-F266 AromaticContact CE2-CD2 3.75Å; Y256-F266 HydrophobicContact CE2-CD2 3.75Å; Y256-F266 HydrophobicContact CE2-CE2 4.3Å; Y256-F266 HydrophobicContact CG-CD2 4.04Å; Y256-F266 AromaticContact CZ-CD2 3.9Å; G264-F266 PolarHBondContact O-N 3.08Å; F266-I268 HydrophobicContact CD1-CG1 4.42Å; F266-I268 HydrophobicContact CE1-CG1 3.88Å
267F94.3Very high84.5Confident7 Ų759.9 Ų59.93%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-118.3134.1-179.7-58.9-60.2000111.7T211 V213 S254 G255 R257 D265 T272 W277T211-F267 HydrophobicContact CG2-CE2 4.22Å; T211-F267 HydrophobicContact CG2-CZ 4.48Å; V213-F267 HydrophobicContact CB-CD1 4.39Å; V213-F267 HydrophobicContact CB-CD2 3.58Å; V213-F267 HydrophobicContact CB-CE1 4.36Å; V213-F267 HydrophobicContact CB-CE2 3.54Å; V213-F267 HydrophobicContact CB-CG 3.99Å; V213-F267 HydrophobicContact CB-CZ 3.93Å; V213-F267 HydrophobicContact CG1-CD2 4.31Å; V213-F267 HydrophobicContact CG1-CE1 4.3Å; V213-F267 HydrophobicContact CG1-CE2 3.77Å; V213-F267 HydrophobicContact CG1-CZ 3.74Å; V213-F267 HydrophobicContact CG2-CB 3.95Å; V213-F267 HydrophobicContact CG2-CD1 3.66Å; V213-F267 HydrophobicContact CG2-CD2 3.62Å; V213-F267 HydrophobicContact CG2-CE1 3.95Å; V213-F267 HydrophobicContact CG2-CE2 3.91Å; V213-F267 HydrophobicContact CG2-CG 3.46Å; V213-F267 VanDerWaalsContact CG2-CG 3.46Å; V213-F267 HydrophobicContact CG2-CZ 4.05Å; S254-F267 VanDerWaalsContact CA-O 3.29Å; S254-F267 WeakPolarHBondContact CA-O 3.41Å; G255-F267 PolarHBondContact N-O 3.16Å; G255-F267 VanDerWaalsContact N-O 3.09Å; G255-F267 PolarHBondContact O-N 2.81Å; G255-F267 VanDerWaalsContact O-N 3.08Å; R257-F267 HydrophobicContact CG-CD2 3.65Å; R257-F267 HydrophobicContact CG-CE2 4.03Å; D265-F267 HydrophobicContact CB-CD2 4.07Å; D265-F267 HydrophobicContact CB-CE1 4.02Å; D265-F267 HydrophobicContact CB-CE2 3.28Å; D265-F267 HydrophobicContact CB-CZ 3.28Å; F267-T272 HydrophobicContact CD1-CG2 4.17Å; F267-T272 HydrophobicContact CE1-CG2 3.79Å; F267-W277 HydrophobicContact CE1-CD2 4.18Å; F267-W277 HydrophobicContact CE1-CG 4.1Å; F267-W277 HydrophobicContact CZ-CD2 4.02Å; F267-W277 AromaticContact CZ-CE2 3.66Å; F267-W277 HydrophobicContact CZ-CG 4.33Å; F267-W277 HydrophobicContact CZ-CZ2 4.04Å; F267-W277 AromaticContact CZ-NE1 3.73Å
268I93.5Very high84.6Confident107 Ų10763.1 Ų63.155%0.54932%0.322SS..BIsolated β-bridgetrans-86.4128.2173.9-61.1173.2000107.8F266 G270 M271F266-I268 HydrophobicContact CD1-CG1 4.42Å; F266-I268 HydrophobicContact CE1-CG1 3.88Å; I268-G270 PolarHBondContact O-N 3.27Å; I268-M271 WeakPolarHBondContact O-CG 3.26Å; I268-M271 PolarHBondContact O-N 3.27Å; I268-M271 VanDerWaalsContact O-N 3.17Å
269N94.5Very high84.9Confident45 Ų4563.9 Ų63.924%0.24133%0.325CS..THydrogen-bonded Turntrans56.619.4178.6-58.8-26.7000115Y242 W252 S254 M271Y242-N269 HydrophobicContact CD2-CB 3.98Å; Y242-N269 HydrophobicContact CE2-CB 3.97Å; W252-N269 CarbonylContact O-C 3.58Å; W252-N269 WeakPolarHBondContact O-CA 3.39Å; S254-N269 PolarHBondContact OG-N 3.23Å; S254-N269 PolarHBondContact OG-OD1 3.35Å; N269-M271 VanDerWaalsContact C-N 3.31Å; N269-M271 HydrophobicContact CB-CE 3.98Å; N269-M271 HydrophobicContact CB-CG 4.32Å; N269-M271 PolarHBondContact O-N 3.04Å
270G96Very high86.2Confident0 Ų060.8 Ų60.80%029%0.291CS..THydrogen-bonded Turntrans73.818.9-178.500000115.4V213 V214 M251 I268V213-G270 WeakPolarHBondContact CG2-O 3.38Å; V214-G270 PolarHBondContact N-O 3.2Å; M251-G270 WeakPolarHBondContact O-CA 3.45Å; M251-G270 PolarHBondContact O-N 3.31Å; I268-G270 PolarHBondContact O-N 3.27Å
271M96.9Very high88Confident17 Ų1757.1 Ų57.18%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-137.6155.8-177.559.6177.7-178.400112.1Y15 V214 Y216 K238 A241 I268 N269Y15-M271 HydrophobicContact CD2-CE 4.39Å; Y15-M271 HydrophobicContact CE1-CE 4.31Å; Y15-M271 HydrophobicContact CE2-CE 3.59Å; V214-M271 CarbonylContact O-C 3.52Å; V214-M271 WeakPolarHBondContact O-CA 3.48Å; V214-M271 WeakPolarHBondContact O-CB 3.41Å; Y216-M271 HydrophobicContact CD1-CB 4.34Å; Y216-M271 HydrophobicContact CE1-CB 4.06Å; Y216-M271 HydrophobicContact CE1-CG 4.27Å; Y216-M271 HydrophobicContact CE1-SD 4.33Å; K238-M271 HydrophobicContact CB-SD 4.39Å; K238-M271 HydrophobicContact CG-SD 4.36Å; A241-M271 HydrophobicContact CB-CB 3.85Å; A241-M271 HydrophobicContact CB-SD 4.21Å; I268-M271 WeakPolarHBondContact O-CG 3.26Å; I268-M271 PolarHBondContact O-N 3.27Å; I268-M271 VanDerWaalsContact O-N 3.17Å; N269-M271 VanDerWaalsContact C-N 3.31Å; N269-M271 HydrophobicContact CB-CE 3.98Å; N269-M271 HydrophobicContact CB-CG 4.32Å; N269-M271 PolarHBondContact O-N 3.04Å
272T97.5Very high89.8Confident13 Ų1347 Ų478%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-148.6144.7176.9-168.10000111.5V213 V214 N215 Y216 F267 W277V213-T272 HydrophobicContact CG1-CG2 4.28Å; V213-T272 HydrophobicContact CG2-CG2 3.9Å; V214-T272 PolarHBondContact O-N 3.21Å; N215-T272 CarbonylContact C-O 3.54Å; N215-T272 WeakPolarHBondContact CA-O 3.41Å; N215-T272 HydrophobicContact CB-CG2 4.19Å; Y216-T272 WeakPolarHBondContact CD1-O 3.45Å; Y216-T272 VanDerWaalsContact CE1-O 3.25Å; Y216-T272 WeakPolarHBondContact CE1-O 3.36Å; Y216-T272 PolarHBondContact N-O 3.25Å; F267-T272 HydrophobicContact CD1-CG2 4.17Å; F267-T272 HydrophobicContact CE1-CG2 3.79Å; T272-W277 HydrophobicContact CG2-CB 4.02Å; T272-W277 HydrophobicContact CG2-CD2 4.31Å; T272-W277 HydrophobicContact CG2-CE3 4.06Å; T272-W277 HydrophobicContact CG2-CG 4.34Å
273N98Very high91.8Very high2 Ų237.8 Ų37.81%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-71.9135.8162170.5-105.4000107.6Y216 P217 Y218 Y228 N229 A275 V276 W277Y216-N273 HydrophobicContact CD2-CB 4.3Å; Y216-N273 HydrophobicContact CE2-CB 3.63Å; Y216-N273 WeakPolarHBondContact O-CA 3.37Å; P217-N273 PolarHBondContact O-ND2 2.73Å; Y218-N273 PolarHBondContact N-ND2 3.25Å; Y218-N273 PolarHBondContact O-ND2 2.74Å; Y228-N273 HydrophobicContact CD2-CB 3.95Å; Y228-N273 HydrophobicContact CE2-CB 4.07Å; N229-N273 PolarHBondContact N-OD1 2.87Å; N229-N273 PolarHBondContact O-ND2 2.82Å; N229-N273 VanDerWaalsContact O-ND2 3.08Å; N273-A275 PolarHBondContact O-N 3.19Å; N273-A275 PolarHBondContact OD1-N 2.66Å; N273-V276 HydrophobicContact CB-CB 4.39Å; N273-V276 HydrophobicContact CB-CG2 3.95Å; N273-V276 WeakPolarHBondContact O-CB 3.23Å; N273-V276 PolarHBondContact O-N 3.02Å; N273-V276 PolarHBondContact OD1-N 2.78Å; N273-W277 PolarHBondContact O-N 2.91Å
274G97.3Very high93.7Very high1 Ų131.2 Ų31.21%0.0116%0.162CC..Hα-helixtrans-61.9-45.9-173.500000113.8N215 Y216 Y218 D219 V276 W277 Y278N215-G274 WeakPolarHBondContact OD1-CA 3.32Å; N215-G274 PolarHBondContact OD1-N 3.16Å; Y216-G274 PolarHBondContact O-N 2.85Å; Y218-G274 PolarHBondContact O-N 3.36Å; D219-G274 WeakPolarHBondContact OD1-CA 3.34Å; G274-V276 PolarHBondContact O-N 2.71Å; G274-W277 PolarHBondContact O-N 3.33Å; G274-Y278 CarbonylContact O-C 3.42Å; G274-Y278 PolarHBondContact O-N 3.06Å
275A96.5Very high95Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-62.6-25.617800000114Y218 T221 A226 F227 N229 N273Y218-A275 WeakPolarHBondContact O-CB 3.31Å; Y218-A275 PolarHBondContact O-N 3.34Å; T221-A275 HydrophobicContact CG2-CB 3.62Å; A226-A275 CarbonylContact C-O 3.49Å; A226-A275 VanDerWaalsContact CA-O 3.24Å; A226-A275 WeakPolarHBondContact CA-O 3.06Å; A226-A275 WeakPolarHBondContact CB-O 3.31Å; F227-A275 PolarHBondContact N-O 3.47Å; F227-A275 CarbonylContact O-C 3.57Å; F227-A275 VanDerWaalsContact O-CB 3.23Å; F227-A275 WeakPolarHBondContact O-CB 3.22Å; N229-A275 HydrophobicContact CB-CB 3.8Å; N273-A275 PolarHBondContact O-N 3.19Å; N273-A275 PolarHBondContact OD1-N 2.66Å
276V95.4Very high95.5Very high71 Ų7128.1 Ų28.143%0.4314%0.142SC..Hα-helixtrans-70.2-40170.9175.40000111.4Y228 N273 G274Y228-V276 VanDerWaalsContact CA-CG2 3.41Å; Y228-V276 HydrophobicContact CD2-CG2 3.64Å; Y228-V276 HydrophobicContact CG-CG2 4.13Å; N273-V276 HydrophobicContact CB-CB 4.39Å; N273-V276 HydrophobicContact CB-CG2 3.95Å; N273-V276 WeakPolarHBondContact O-CB 3.23Å; N273-V276 PolarHBondContact O-N 3.02Å; N273-V276 PolarHBondContact OD1-N 2.78Å; G274-V276 PolarHBondContact O-N 2.71Å
277W93.4Very high95.8Very high49 Ų4923.4 Ų23.419%0.18612%0.121CC..Hα-helixtrans-72.6-56.5-175.9-173.119.8000110.6T211 V213 D265 F267 T272 N273 G274 E300T211-W277 HydrophobicContact CG2-CH2 3.35Å; T211-W277 HydrophobicContact CG2-CZ2 3.51Å; T211-W277 HydrophobicContact CG2-CZ3 4.37Å; V213-W277 HydrophobicContact CG1-CH2 4.38Å; V213-W277 HydrophobicContact CG1-CZ3 4.17Å; D265-W277 VanDerWaalsContact CG-NE1 3.28Å; D265-W277 PolarHBondContact OD1-NE1 2.84Å; F267-W277 HydrophobicContact CE1-CD2 4.18Å; F267-W277 HydrophobicContact CE1-CG 4.1Å; F267-W277 HydrophobicContact CZ-CD2 4.02Å; F267-W277 AromaticContact CZ-CE2 3.66Å; F267-W277 HydrophobicContact CZ-CG 4.33Å; F267-W277 HydrophobicContact CZ-CZ2 4.04Å; F267-W277 AromaticContact CZ-NE1 3.73Å; T272-W277 HydrophobicContact CG2-CB 4.02Å; T272-W277 HydrophobicContact CG2-CD2 4.31Å; T272-W277 HydrophobicContact CG2-CE3 4.06Å; T272-W277 HydrophobicContact CG2-CG 4.34Å; N273-W277 PolarHBondContact O-N 2.91Å; G274-W277 PolarHBondContact O-N 3.33Å; W277-E300 HydrophobicContact CH2-CG 3.87Å; W277-E300 HydrophobicContact CZ3-CG 3.98Å
278Y91.7Very high96Very high91 Ų9123.1 Ų23.136%0.35712%0.119SC..  trans-169.9148166.554.9-92.1000109.1G274 L280G274-Y278 CarbonylContact O-C 3.42Å; G274-Y278 PolarHBondContact O-N 3.06Å; Y278-L280 HydrophobicContact CE2-CB 4.38Å; Y278-L280 HydrophobicContact CE2-CD1 4.35Å; Y278-L280 PolarHBondContact O-N 3Å
279T94.1Very high96.1Very high45 Ų4518 Ų1828%0.2769%0.093SC..  trans-70133.5-178.754.70000112.6D219 T221 G224 E225 A226D219-T279 CarbonylContact O-C 3.3Å; D219-T279 VanDerWaalsContact O-CA 3.28Å; D219-T279 WeakPolarHBondContact O-CA 3.34Å; T221-T279 HydrophobicContact CG2-CG2 4.12Å; G224-T279 PolarHBondContact O-OG1 3.17Å; G224-T279 VanDerWaalsContact O-OG1 3.1Å; E225-T279 WeakPolarHBondContact O-CG2 3.22Å; A226-T279 HydrophobicContact CB-CG2 4.42Å
280L94.1Very high96Very high9 Ų918 Ų185%0.0479%0.093CC..  trans-137.8111.6177.9170.8165.4000109.2R171 D219 D220 Y278R171-L280 VanDerWaalsContact NH1-CG 3.26Å; D219-L280 CarbonylContact C-O 3.55Å; D219-L280 HydrophobicContact CB-CB 4.09Å; D219-L280 HydrophobicContact CB-CD2 4.07Å; D219-L280 WeakPolarHBondContact CB-O 3.44Å; D219-L280 PolarHBondContact O-N 2.88Å; D220-L280 WeakPolarHBondContact CB-O 3.25Å; Y278-L280 HydrophobicContact CE2-CB 4.38Å; Y278-L280 HydrophobicContact CE2-CD1 4.35Å; Y278-L280 PolarHBondContact O-N 3Å
281S95.6Very high95.9Very high18 Ų1824.1 Ų24.113%0.12612%0.116CC..SBendtrans-97145.2173.3-64.20000111.3R171 D220R171-S281 WeakPolarHBondContact CD-O 3.34Å; D220-S281 WeakPolarHBondContact CB-OG 3.29Å
282G95.7Very high95.8Very high3 Ų324.5 Ų24.53%0.03112%0.119CC..SBendtrans78.622.5177.200000113.9R171 N172 F173R171-G282 CarbonylContact C-O 3.22Å; R171-G282 WeakPolarHBondContact CA-O 3.44Å; N172-G282 PolarHBondContact N-O 3.44Å; F173-G282 WeakPolarHBondContact CB-O 3.43Å; F173-G282 PolarHBondContact N-O 2.72Å; F173-G282 WeakPolarHBondContact O-CA 3.44Å
283G97.3Very high95.6Very high2 Ų225.3 Ų25.32%0.02112%0.123CC..  trans-74.7153.5173.800000113.2N170 Q285 W287N170-G283 WeakPolarHBondContact OD1-CA 3.35Å; G283-Q285 VanDerWaalsContact C-N 3.3Å; G283-Q285 PolarHBondContact O-N 2.93Å; G283-W287 WeakPolarHBondContact O-CB 3.4Å; G283-W287 PolarHBondContact O-N 3.43Å
284M98.4Very high95.6Very high0 Ų025.2 Ų25.20%012%0.123CC..Hα-helixtrans-65.9-35.1176.7-170.6167.570.700112V96 M99 M142 N170 F173 V192 N206 W287 N288 E296V96-M284 HydrophobicContact CB-CE 3.96Å; V96-M284 HydrophobicContact CG1-CE 3.98Å; V96-M284 HydrophobicContact CG2-CE 4.25Å; M99-M284 HydrophobicContact CE-CB 4.26Å; M99-M284 HydrophobicContact SD-CE 4.16Å; M142-M284 HydrophobicContact SD-SD 4.1Å; N170-M284 PolarHBondContact OD1-N 3.38Å; F173-M284 HydrophobicContact CD2-CB 3.98Å; F173-M284 HydrophobicContact CE1-CB 4.29Å; F173-M284 HydrophobicContact CE1-CG 3.88Å; F173-M284 HydrophobicContact CE1-SD 4.4Å; F173-M284 HydrophobicContact CE2-CB 3.55Å; F173-M284 HydrophobicContact CE2-CG 3.93Å; F173-M284 HydrophobicContact CE2-SD 4.28Å; F173-M284 HydrophobicContact CZ-CB 3.71Å; F173-M284 HydrophobicContact CZ-CG 3.51Å; F173-M284 HydrophobicContact CZ-SD 3.68Å; V192-M284 HydrophobicContact CG1-SD 3.67Å; N206-M284 HydrophobicContact CB-CE 3.28Å; M284-W287 PolarHBondContact O-N 3.5Å; M284-N288 VanDerWaalsContact CG-ND2 3.28Å; M284-N288 WeakPolarHBondContact CG-ND2 3.28Å; M284-N288 WeakPolarHBondContact O-CB 3.47Å; M284-N288 PolarHBondContact O-N 3.27Å; M284-N288 PolarHBondContact O-ND2 3.21Å; M284-E296 VanDerWaalsContact C-OE1 3.32Å; M284-E296 WeakPolarHBondContact CE-OE1 3.1Å; M284-E296 WeakPolarHBondContact CG-OE1 3.47Å
285Q98.4Very high95.7Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-59.8-59.6-176.7-171.3-167.4-103.300111.7N215 P217 D219 G283 W287 N288 Y289 E296 T298N215-Q285 PolarHBondContact ND2-NE2 2.82Å; N215-Q285 PolarHBondContact ND2-OE1 3.29Å; N215-Q285 VanDerWaalsContact ND2-OE1 3.1Å; N215-Q285 PolarHBondContact O-OE1 3.44Å; P217-Q285 HydrophobicContact CG-CG 3.83Å; D219-Q285 PolarHBondContact OD1-NE2 2.95Å; D219-Q285 PolarHBondContact OD2-NE2 2.82Å; G283-Q285 VanDerWaalsContact C-N 3.3Å; G283-Q285 PolarHBondContact O-N 2.93Å; Q285-W287 VanDerWaalsContact C-N 3.32Å; Q285-W287 PolarHBondContact O-N 3.38Å; Q285-N288 PolarHBondContact O-N 3.19Å; Q285-Y289 PolarHBondContact O-N 2.88Å; Q285-E296 VanDerWaalsContact CA-OE1 3.3Å; Q285-E296 WeakPolarHBondContact CA-OE1 3.47Å; Q285-E296 HydrophobicContact CG-CB 4.19Å; Q285-E296 HydrophobicContact CG-CG 4.44Å; Q285-E296 VanDerWaalsContact CG-O 3.23Å; Q285-E296 WeakPolarHBondContact CG-O 3.27Å; Q285-E296 PolarHBondContact N-OE1 2.66Å; Q285-T298 PolarHBondContact OE1-OG1 3Å
286D97.1Very high95.8Very high7 Ų725.2 Ų25.24%0.03712%0.122CC..Hα-helixtrans-64.9-36.4179.3-75.64.9000112Y218 D219 Y289 L290Y218-D286 HydrophobicContact CD1-CB 4.38Å; D219-D286 PolarHBondContact N-OD1 3.39Å; D219-D286 PolarHBondContact N-OD2 3.04Å; D286-Y289 PolarHBondContact O-N 2.88Å; D286-L290 VanDerWaalsContact O-CB 3.3Å; D286-L290 WeakPolarHBondContact O-CB 3.48Å; D286-L290 WeakPolarHBondContact O-CG 3.42Å; D286-L290 PolarHBondContact O-N 3Å
287W97Very high96Very high5 Ų521.8 Ų21.82%0.01910%0.102CC..Hα-helixtrans-63.1-45.5178.2179.589000112.2F173 M193 W197 G283 M284 Q285 Y289 L290 R291 T292F173-W287 HydrophobicContact CB-CB 3.81Å; F173-W287 HydrophobicContact CB-CG 3.89Å; F173-W287 HydrophobicContact CD1-CB 4.17Å; F173-W287 AromaticContact CD1-CD2 3.79Å; F173-W287 HydrophobicContact CD1-CD2 3.79Å; F173-W287 AromaticContact CD1-CE3 3.96Å; F173-W287 HydrophobicContact CD1-CE3 3.96Å; F173-W287 AromaticContact CD1-CG 3.86Å; F173-W287 HydrophobicContact CD1-CG 3.86Å; F173-W287 HydrophobicContact CE1-CE3 4.24Å; F173-W287 HydrophobicContact CG-CB 4.24Å; F173-W287 HydrophobicContact CG-CG 4.28Å; M193-W287 HydrophobicContact CB-CH2 3.75Å; M193-W287 HydrophobicContact CB-CZ2 3.78Å; M193-W287 HydrophobicContact CE-CZ2 3.85Å; M193-W287 HydrophobicContact CG-CD2 4.44Å; M193-W287 HydrophobicContact CG-CH2 3.79Å; M193-W287 HydrophobicContact CG-CZ2 3.56Å; M193-W287 HydrophobicContact CG-CZ3 4.28Å; M193-W287 HydrophobicContact SD-CZ2 4.44Å; W197-W287 HydrophobicContact CD2-CH2 4.44Å; W197-W287 HydrophobicContact CD2-CZ2 4.48Å; W197-W287 AromaticContact CE2-CH2 3.99Å; W197-W287 AromaticContact CE2-CZ2 3.69Å; W197-W287 HydrophobicContact CH2-CZ2 4.25Å; W197-W287 HydrophobicContact CZ2-CH2 4.32Å; W197-W287 AromaticContact CZ2-CZ2 3.58Å; W197-W287 HydrophobicContact CZ2-CZ2 3.58Å; W197-W287 AromaticContact NE1-CH2 3.93Å; W197-W287 AromaticContact NE1-CZ2 3.87Å; G283-W287 WeakPolarHBondContact O-CB 3.4Å; G283-W287 PolarHBondContact O-N 3.43Å; M284-W287 PolarHBondContact O-N 3.5Å; Q285-W287 VanDerWaalsContact C-N 3.32Å; Q285-W287 PolarHBondContact O-N 3.38Å; W287-Y289 VanDerWaalsContact C-N 3.33Å; W287-Y289 PolarHBondContact O-N 3.26Å; W287-L290 PolarHBondContact O-N 2.75Å; W287-R291 HydrophobicContact CD2-CB 4.3Å; W287-R291 HydrophobicContact CD2-CG 4.43Å; W287-R291 HydrophobicContact CG-CG 4.27Å; W287-R291 HydrophobicContact CZ2-CB 4.12Å; W287-R291 VanDerWaalsContact O-CB 3.26Å; W287-R291 WeakPolarHBondContact O-CB 3.46Å; W287-R291 WeakPolarHBondContact O-CG 3.49Å; W287-R291 PolarHBondContact O-N 2.94Å; W287-T292 HydrophobicContact CH2-CG2 4.15Å; W287-T292 HydrophobicContact CZ3-CG2 4.11Å
288N98Very high96.2Very high0 Ų019.7 Ų19.70%09%0.094CC..Hα-helixtrans-58-48.3177.9-85.2-55.6000110.7K94 M284 Q285 L290 T292 D294 E296K94-N288 VanDerWaalsContact NZ-CG 3.27Å; K94-N288 PolarHBondContact NZ-ND2 2.86Å; K94-N288 PolarHBondContact NZ-OD1 3.12Å; M284-N288 VanDerWaalsContact CG-ND2 3.28Å; M284-N288 WeakPolarHBondContact CG-ND2 3.28Å; M284-N288 WeakPolarHBondContact O-CB 3.47Å; M284-N288 PolarHBondContact O-N 3.27Å; M284-N288 PolarHBondContact O-ND2 3.21Å; Q285-N288 PolarHBondContact O-N 3.19Å; N288-L290 VanDerWaalsContact C-N 3.35Å; N288-L290 PolarHBondContact O-N 3.31Å; N288-T292 WeakPolarHBondContact O-CB 3.26Å; N288-T292 PolarHBondContact O-N 3.47Å; N288-T292 PolarHBondContact O-OG1 3.07Å; N288-D294 CarbonylContact C-O 3.44Å; N288-D294 HydrophobicContact CB-CB 4.2Å; N288-E296 HydrophobicContact CB-CB 4.05Å; N288-E296 PolarHBondContact ND2-OE1 2.94Å; N288-E296 PolarHBondContact ND2-OE2 3.48Å
289Y96.5Very high96.6Very high0 Ų015.4 Ų15.40%08%0.077CC..Hα-helixtrans-64-38179.2-179.2-121.8000112.5Y218 A231 D233 F237 Q285 D286 W287 D294 F295 H358Y218-Y289 AromaticContact CE1-CD1 3.75Å; Y218-Y289 HydrophobicContact CE1-CD1 3.75Å; Y218-Y289 HydrophobicContact CE1-CE1 4.04Å; Y218-Y289 AromaticContact CZ-CE1 3.89Å; Y218-Y289 WeakPolarHBondContact OH-CE1 3.47Å; A231-Y289 HydrophobicContact CB-CD1 4.31Å; A231-Y289 HydrophobicContact CB-CE1 3.65Å; D233-Y289 HydrophobicContact CB-CE2 4.15Å; D233-Y289 WeakPolarHBondContact CB-OH 3.16Å; D233-Y289 PolarHBondContact N-OH 3.43Å; D233-Y289 WeakPolarHBondContact OD2-CE2 3.38Å; D233-Y289 PolarHBondContact OD2-OH 3.3Å; F237-Y289 HydrophobicContact CE2-CD1 4.31Å; F237-Y289 HydrophobicContact CE2-CD2 4.02Å; F237-Y289 HydrophobicContact CE2-CE1 4.15Å; F237-Y289 AromaticContact CE2-CE2 3.83Å; F237-Y289 HydrophobicContact CE2-CE2 3.83Å; F237-Y289 HydrophobicContact CE2-CG 4.25Å; F237-Y289 AromaticContact CE2-CZ 3.91Å; F237-Y289 HydrophobicContact CZ-CD1 4.32Å; F237-Y289 AromaticContact CZ-CD2 3.61Å; F237-Y289 HydrophobicContact CZ-CD2 3.61Å; F237-Y289 AromaticContact CZ-CE2 3.89Å; F237-Y289 HydrophobicContact CZ-CE2 3.89Å; F237-Y289 AromaticContact CZ-CG 3.85Å; F237-Y289 HydrophobicContact CZ-CG 3.85Å; Q285-Y289 PolarHBondContact O-N 2.88Å; D286-Y289 PolarHBondContact O-N 2.88Å; W287-Y289 VanDerWaalsContact C-N 3.33Å; W287-Y289 PolarHBondContact O-N 3.26Å; Y289-D294 WeakPolarHBondContact CA-O 2.95Å; Y289-D294 PolarHBondContact N-O 3.2Å; Y289-F295 HydrophobicContact CE2-CD1 4.4Å; Y289-F295 HydrophobicContact CE2-CE1 4.26Å; Y289-H358 AromaticContact CD2-CE1 3.96Å; Y289-H358 AromaticContact CD2-NE2 3.91Å; Y289-H358 AromaticContact CE2-CD2 3.52Å; Y289-H358 AromaticContact CE2-CE1 3.66Å; Y289-H358 AromaticContact CE2-CG 3.77Å; Y289-H358 AromaticContact CE2-ND1 3.85Å; Y289-H358 AromaticContact CE2-NE2 3.45Å; Y289-H358 WeakPolarHBondContact CE2-NE2 3.49Å; Y289-H358 AromaticContact CZ-CD2 3.78Å; Y289-H358 AromaticContact CZ-CE1 3.86Å; Y289-H358 AromaticContact CZ-CG 3.52Å; Y289-H358 AromaticContact CZ-ND1 3.57Å; Y289-H358 AromaticContact CZ-NE2 3.99Å; Y289-H358 PolarHBondContact O-CE1 3.39Å; Y289-H358 VanDerWaalsContact OH-CB 3.28Å; Y289-H358 WeakPolarHBondContact OH-CB 3.43Å
290L92.5Very high96.8Very high46 Ų4613.7 Ų13.724%0.2417%0.066CC..Hα-helixtrans-86.1-16.7-175.8-70.5171.7000115.2R176 Y218 D286 W287 N288R176-L290 HydrophobicContact CB-CD1 3.8Å; R176-L290 HydrophobicContact CG-CD1 4.04Å; Y218-L290 HydrophobicContact CE1-CD1 4.1Å; Y218-L290 HydrophobicContact CE1-CD2 3.86Å; Y218-L290 HydrophobicContact CE1-CG 3.99Å; Y218-L290 WeakPolarHBondContact OH-CD2 3.48Å; D286-L290 VanDerWaalsContact O-CB 3.3Å; D286-L290 WeakPolarHBondContact O-CB 3.48Å; D286-L290 WeakPolarHBondContact O-CG 3.42Å; D286-L290 PolarHBondContact O-N 3Å; W287-L290 PolarHBondContact O-N 2.75Å; N288-L290 VanDerWaalsContact C-N 3.35Å; N288-L290 PolarHBondContact O-N 3.31Å
291R92.7Very high97Very high128 Ų12813.3 Ų13.348%0.4836%0.064SC..Hα-helixtrans-125-3-170.8-59.7-65.4-178.5-118.61.7113.9W197 W287W197-R291 PolarHBondContact NE1-O 3.46Å; W287-R291 HydrophobicContact CD2-CB 4.3Å; W287-R291 HydrophobicContact CD2-CG 4.43Å; W287-R291 HydrophobicContact CG-CG 4.27Å; W287-R291 HydrophobicContact CZ2-CB 4.12Å; W287-R291 VanDerWaalsContact O-CB 3.26Å; W287-R291 WeakPolarHBondContact O-CB 3.46Å; W287-R291 WeakPolarHBondContact O-CG 3.49Å; W287-R291 PolarHBondContact O-N 2.94Å
292T94.3Very high97Very high25 Ų2512.5 Ų12.515%0.1536%0.059CC..SBendtrans-144.2-171.917979.90000109.8W287 N288 D294W287-T292 HydrophobicContact CH2-CG2 4.15Å; W287-T292 HydrophobicContact CZ3-CG2 4.11Å; N288-T292 WeakPolarHBondContact O-CB 3.26Å; N288-T292 PolarHBondContact O-N 3.47Å; N288-T292 PolarHBondContact O-OG1 3.07Å; T292-D294 VanDerWaalsContact C-N 3.31Å; T292-D294 WeakPolarHBondContact OG1-CB 3.47Å; T292-D294 PolarHBondContact OG1-N 3.46Å
293N95Very high96.9Very high30 Ų3013.7 Ų13.716%0.167%0.066CC..SBendtrans-91.68171.8-66.7-22000113F201 F295 V360 T361F201-N293 CarbonylContact O-C 3.54Å; N293-F295 WeakPolarHBondContact O-CD2 3.46Å; N293-V360 HydrophobicContact CB-CB 4.33Å; N293-V360 HydrophobicContact CB-CG1 4.3Å; N293-V360 WeakPolarHBondContact OD1-CA 3.28Å; N293-V360 WeakPolarHBondContact OD1-CB 3.04Å; N293-T361 PolarHBondContact ND2-O 3.43Å; N293-T361 PolarHBondContact OD1-N 3.27Å
294D98Very high96.7Very high0 Ų017.1 Ų17.10%08%0.08CC..  trans-90.2120.7-167.2-171.14.5000112K94 F201 L203 S204 N288 Y289 T292 E296K94-D294 WeakPolarHBondContact CE-OD2 3.22Å; K94-D294 IonicContact NZ-OD2 3.28Å; K94-D294 PolarHBondContact NZ-OD2 2.94Å; F201-D294 HydrophobicContact CB-CB 3.93Å; F201-D294 WeakPolarHBondContact CB-OD2 3.37Å; F201-D294 WeakPolarHBondContact O-CA 3.24Å; F201-D294 WeakPolarHBondContact O-CB 3.18Å; F201-D294 PolarHBondContact O-N 2.97Å; L203-D294 WeakPolarHBondContact CA-OD1 3.4Å; L203-D294 PolarHBondContact N-OD1 3.47Å; S204-D294 VanDerWaalsContact CB-OD1 3.22Å; S204-D294 WeakPolarHBondContact CB-OD1 3.13Å; S204-D294 WeakPolarHBondContact CB-OD2 3.48Å; S204-D294 PolarHBondContact N-OD1 3.31Å; S204-D294 VanDerWaalsContact N-OD1 3.11Å; S204-D294 PolarHBondContact OG-OD1 2.9Å; S204-D294 PolarHBondContact OG-OD2 2.93Å; N288-D294 CarbonylContact C-O 3.44Å; N288-D294 HydrophobicContact CB-CB 4.2Å; Y289-D294 WeakPolarHBondContact CA-O 2.95Å; Y289-D294 PolarHBondContact N-O 3.2Å; T292-D294 VanDerWaalsContact C-N 3.31Å; T292-D294 WeakPolarHBondContact OG1-CB 3.47Å; T292-D294 PolarHBondContact OG1-N 3.46Å; D294-E296 PolarHBondContact O-N 2.96Å
295F98.6Very high96.7Very high0 Ų018.6 Ų18.60%09%0.087CC..EExtended strand (participates in β ladder)trans-88.7100.8175.2-71.7-118.7000108.6V202 L203 S204 D233 V236 F237 L240 Y289 N293 V360 L371V202-F295 WeakPolarHBondContact O-CD2 3.37Å; V202-F295 PolarHBondContact O-N 3.47Å; V202-F295 VanDerWaalsContact O-N 3.11Å; L203-F295 WeakPolarHBondContact CD1-O 3.3Å; S204-F295 PolarHBondContact N-O 3.44Å; D233-F295 HydrophobicContact CB-CD1 4.41Å; D233-F295 HydrophobicContact CB-CE1 3.61Å; D233-F295 HydrophobicContact CB-CZ 4.41Å; V236-F295 HydrophobicContact CB-CD1 4.48Å; V236-F295 HydrophobicContact CB-CE1 4.17Å; V236-F295 HydrophobicContact CG1-CD1 3.87Å; V236-F295 HydrophobicContact CG1-CE1 3.84Å; F237-F295 HydrophobicContact CE1-CB 3.96Å; F237-F295 AromaticContact CE1-CD1 3.95Å; F237-F295 HydrophobicContact CE1-CD1 3.95Å; F237-F295 HydrophobicContact CE1-CG 4.37Å; F237-F295 HydrophobicContact CE2-CD1 4.19Å; F237-F295 HydrophobicContact CZ-CB 4.31Å; F237-F295 AromaticContact CZ-CD1 3.73Å; F237-F295 HydrophobicContact CZ-CD1 3.73Å; F237-F295 HydrophobicContact CZ-CG 4.29Å; L240-F295 HydrophobicContact CD1-CB 4.32Å; Y289-F295 HydrophobicContact CE2-CD1 4.4Å; Y289-F295 HydrophobicContact CE2-CE1 4.26Å; N293-F295 WeakPolarHBondContact O-CD2 3.46Å; F295-V360 HydrophobicContact CE2-CG1 4.41Å; F295-L371 HydrophobicContact CB-CD1 3.95Å; F295-L371 HydrophobicContact CD1-CD1 4.36Å; F295-L371 HydrophobicContact CD2-CD1 4.04Å; F295-L371 HydrophobicContact CD2-CG 4.38Å; F295-L371 HydrophobicContact CE1-CB 4.24Å; F295-L371 HydrophobicContact CE2-CB 4.24Å; F295-L371 HydrophobicContact CE2-CG 4.47Å; F295-L371 HydrophobicContact CG-CD1 3.9Å; F295-L371 HydrophobicContact CZ-CB 4.04Å
296E98.8Very high96.6Very high0 Ų018.9 Ų18.90%09%0.088CC..EExtended strand (participates in β ladder)trans-97.4141.5179-163165.69700112K94 S204 N206 F237 M284 Q285 N288 D294K94-E296 WeakPolarHBondContact CE-OE2 3.23Å; K94-E296 IonicContact NZ-OE2 2.66Å; S204-E296 WeakPolarHBondContact O-CA 3.39Å; S204-E296 VanDerWaalsContact OG-CA 3.27Å; S204-E296 WeakPolarHBondContact OG-CA 3.41Å; S204-E296 WeakPolarHBondContact OG-CB 3.31Å; S204-E296 WeakPolarHBondContact OG-CG 3.42Å; S204-E296 PolarHBondContact OG-OE2 3.44Å; N206-E296 PolarHBondContact ND2-OE1 2.78Å; F237-E296 WeakPolarHBondContact CE1-O 3.31Å; M284-E296 VanDerWaalsContact C-OE1 3.32Å; M284-E296 WeakPolarHBondContact CE-OE1 3.1Å; M284-E296 WeakPolarHBondContact CG-OE1 3.47Å; Q285-E296 VanDerWaalsContact CA-OE1 3.3Å; Q285-E296 WeakPolarHBondContact CA-OE1 3.47Å; Q285-E296 HydrophobicContact CG-CB 4.19Å; Q285-E296 HydrophobicContact CG-CG 4.44Å; Q285-E296 VanDerWaalsContact CG-O 3.23Å; Q285-E296 WeakPolarHBondContact CG-O 3.27Å; Q285-E296 PolarHBondContact N-OE1 2.66Å; N288-E296 HydrophobicContact CB-CB 4.05Å; N288-E296 PolarHBondContact ND2-OE1 2.94Å; N288-E296 PolarHBondContact ND2-OE2 3.48Å; D294-E296 PolarHBondContact O-N 2.96Å
297V98.8Very high96.7Very high0 Ų018.6 Ų18.60%09%0.087CC..EExtended strand (participates in β ladder)trans-122147.3164.1-62.20000110.7S204 A205 N206 V214 F237 L240 I299 F326S204-V297 PolarHBondContact O-N 2.03Å; S204-V297 VanDerWaalsContact O-N 3.13Å; A205-V297 WeakPolarHBondContact CA-O 3.37Å; A205-V297 HydrophobicContact CB-CG2 4.16Å; N206-V297 PolarHBondContact N-O 3.08Å; V214-V297 HydrophobicContact CG1-CB 4Å; V214-V297 HydrophobicContact CG1-CG2 4.01Å; F237-V297 HydrophobicContact CD1-CG1 3.94Å; L240-V297 HydrophobicContact CB-CG1 4.48Å; V297-I299 HydrophobicContact CG2-CD1 4.4Å; V297-I299 HydrophobicContact CG2-CG1 4.2Å; V297-F326 HydrophobicContact CG2-CE2 3.51Å; V297-F326 HydrophobicContact CG2-CZ 3.61Å
298T98.8Very high96.7Very high5 Ų524.8 Ų24.83%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-91.8127.3172-70.30000109.4N206 H208 V214 N215 Q285N206-T298 PolarHBondContact ND2-OG1 3.39Å; N206-T298 WeakPolarHBondContact O-CA 3.49Å; N206-T298 WeakPolarHBondContact OD1-CA 3.39Å; N206-T298 VanDerWaalsContact OD1-CB 3.27Å; N206-T298 WeakPolarHBondContact OD1-CB 3.14Å; N206-T298 WeakPolarHBondContact OD1-CG2 3.33Å; N206-T298 PolarHBondContact OD1-OG1 3.08Å; H208-T298 HydrophobicContact CB-CG2 4.43Å; V214-T298 CarbonylContact C-O 3.38Å; N215-T298 HydrophobicContact CB-CG2 4.23Å; N215-T298 PolarHBondContact N-O 3.2Å; N215-T298 PolarHBondContact O-N 2.88Å; Q285-T298 PolarHBondContact OE1-OG1 3Å
299I98.8Very high96.7Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-113.9110.3179.4-58.6172.3000108.5A205 N206 L207 H208 V214 Y244 V297 M301A205-I299 HydrophobicContact CB-CD1 3.7Å; A205-I299 HydrophobicContact CB-CG1 4.31Å; N206-I299 PolarHBondContact O-N 3.24Å; L207-I299 HydrophobicContact CD2-CB 3.81Å; L207-I299 HydrophobicContact CD2-CD1 3.81Å; L207-I299 HydrophobicContact CD2-CG1 4.24Å; L207-I299 HydrophobicContact CD2-CG2 4.4Å; H208-I299 PolarHBondContact N-O 3.22Å; V214-I299 HydrophobicContact CG1-CG1 4.09Å; V214-I299 HydrophobicContact CG2-CG1 4.41Å; Y244-I299 HydrophobicContact CD1-CD1 4.28Å; Y244-I299 HydrophobicContact CD1-CG2 4.11Å; Y244-I299 HydrophobicContact CD2-CD1 3.52Å; Y244-I299 HydrophobicContact CE1-CD1 4.29Å; Y244-I299 HydrophobicContact CE1-CG2 3.5Å; Y244-I299 VanDerWaalsContact CE1-CG2 3.5Å; Y244-I299 HydrophobicContact CE2-CD1 3.52Å; Y244-I299 HydrophobicContact CE2-CG2 4.37Å; Y244-I299 HydrophobicContact CG-CD1 3.93Å; V297-I299 HydrophobicContact CG2-CD1 4.4Å; V297-I299 HydrophobicContact CG2-CG1 4.2Å; I299-M301 HydrophobicContact CG2-CG 4.05Å; I299-M301 PolarHBondContact O-N 3.18Å
300E98Very high96.8Very high9 Ų931.1 Ų31.14%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-83.2108.2169.4-64.5-71.8174.200107.8H208 S209 T211 T212 V213 M251 W277H208-E300 VanDerWaalsContact CB-CD 3.46Å; H208-E300 HydrophobicContact CB-CG 4.47Å; H208-E300 WeakPolarHBondContact CB-OE1 3.31Å; H208-E300 WeakPolarHBondContact CB-OE2 3.39Å; S209-E300 WeakPolarHBondContact CA-OE2 3.3Å; S209-E300 PolarHBondContact N-OE2 3.42Å; S209-E300 VanDerWaalsContact O-OE2 3.11Å; T211-E300 HydrophobicContact CG2-CB 3.51Å; T211-E300 HydrophobicContact CG2-CG 3.63Å; T211-E300 CarbonylContact O-C 3.57Å; T211-E300 VanDerWaalsContact O-C 3.3Å; T211-E300 WeakPolarHBondContact O-CB 3.37Å; T212-E300 VanDerWaalsContact CA-O 3.29Å; T212-E300 WeakPolarHBondContact CA-O 3.41Å; V213-E300 HydrophobicContact CG1-CB 3.97Å; V213-E300 HydrophobicContact CG1-CG 3.98Å; V213-E300 PolarHBondContact N-O 3.49Å; V213-E300 VanDerWaalsContact N-O 3.1Å; V213-E300 PolarHBondContact O-N 3.44Å; M251-E300 WeakPolarHBondContact CE-O 3.44Å; W277-E300 HydrophobicContact CH2-CG 3.87Å; W277-E300 HydrophobicContact CZ3-CG 3.98Å
301M98.1Very high97.1Very high1 Ų131 Ų311%0.00516%0.159CC..  trans-79.8-46.4-166.2-63.2-170.473.100112.6L105 G106 C109 L207 H208 T211 T212 I299 H319L105-M301 HydrophobicContact CD2-CB 3.69Å; L105-M301 HydrophobicContact CD2-CE 4.42Å; L105-M301 HydrophobicContact CG-CB 4.26Å; L105-M301 HydrophobicContact CG-CE 4.27Å; L105-M301 HydrophobicContact CG-SD 4.26Å; G106-M301 WeakPolarHBondContact CA-SD 3.22Å; C109-M301 HydrophobicContact CB-CE 3.93Å; L207-M301 HydrophobicContact CB-SD 3.96Å; L207-M301 HydrophobicContact CD1-SD 3.92Å; L207-M301 HydrophobicContact CG-SD 4.37Å; H208-M301 WeakPolarHBondContact O-CG 3.29Å; H208-M301 PolarHBondContact O-N 3.18Å; T211-M301 CarbonylContact O-C 3.52Å; T212-M301 PolarHBondContact OG1-O 3.42Å; I299-M301 HydrophobicContact CG2-CG 4.05Å; I299-M301 PolarHBondContact O-N 3.18Å; M301-H319 HydrophobicContact CE-CB 3.87Å; M301-H319 VanDerWaalsContact CE-CG 3.5Å; M301-H319 PolarHBondContact O-CE1 3.04Å; M301-H319 VanDerWaalsContact O-CE1 3.24Å; M301-H319 PolarHBondContact O-NE2 3.28Å; M301-H319 VanDerWaalsContact O-NE2 3.08Å
302N95.7Very high97.3Very high2 Ų225 Ų251%0.01114%0.136CC..  trans-151.4166.6-172.971.1-48.6000112.6L105 S209 G210 T211 T212 F304 Y315L105-N302 HydrophobicContact CD2-CB 3.66Å; L105-N302 VanDerWaalsContact CD2-OD1 3.32Å; L105-N302 WeakPolarHBondContact CD2-OD1 3.49Å; S209-N302 VanDerWaalsContact CB-OD1 3.29Å; S209-N302 WeakPolarHBondContact CB-OD1 3.3Å; S209-N302 PolarHBondContact OG-OD1 3.04Å; G210-N302 CarbonylContact C-O 3.52Å; G210-N302 WeakPolarHBondContact CA-O 3.42Å; G210-N302 PolarHBondContact N-O 2.89Å; T211-N302 PolarHBondContact N-O 3.14Å; T211-N302 CarbonylContact O-C 3.59Å; T211-N302 WeakPolarHBondContact O-CA 3.01Å; T211-N302 PolarHBondContact O-N 3.33Å; T212-N302 WeakPolarHBondContact OG1-CA 3.41Å; N302-F304 VanDerWaalsContact C-N 3.3Å; N302-F304 PolarHBondContact ND2-N 3.15Å; N302-F304 PolarHBondContact ND2-O 2.93Å; N302-F304 PolarHBondContact O-N 2.94Å; N302-F304 PolarHBondContact OD1-O 3.45Å; N302-Y315 HydrophobicContact CB-CD1 4.03Å; N302-Y315 HydrophobicContact CB-CE1 3.66Å
303C93.4Very high97.5Very high27 Ų2728.8 Ų28.818%0.18215%0.152CC..SBendtrans-73.5-6.5-178.3-64.90000117.1C258C258-C303 WeakPolarHBondContact CA-SG 3.13Å; C258-C303 HydrophobicContact CB-CB 3.68Å; C258-C303 WeakPolarHBondContact CB-SG 3.43Å; C258-C303 PolarHBondContact N-SG 3.32Å; C258-C303 VanDerWaalsContact N-SG 3.44Å; C258-C303 WeakPolarHBondContact SG-CA 3.49Å; C258-C303 WeakPolarHBondContact SG-CB 3.46Å; C258-C303 CovalentContact SG-SG 2.03Å; C258-C303 PolarHBondContact SG-SG 3Å
304F94.9Very high97.7Very high74 Ų7433.2 Ų33.233%0.32517%0.17SC..  trans-114.3122.6-177.5-69.2-102.6000108.3R155 N302 P307R155-F304 HydrophobicContact CB-CD1 3.79Å; R155-F304 HydrophobicContact CB-CE1 4.11Å; R155-F304 HydrophobicContact CG-CD1 3.64Å; R155-F304 HydrophobicContact CG-CE1 3.83Å; R155-F304 HydrophobicContact CG-CG 4.15Å; R155-F304 HydrophobicContact CG-CZ 4.49Å; N302-F304 VanDerWaalsContact C-N 3.3Å; N302-F304 PolarHBondContact ND2-N 3.15Å; N302-F304 PolarHBondContact ND2-O 2.93Å; N302-F304 PolarHBondContact O-N 2.94Å; N302-F304 PolarHBondContact OD1-O 3.45Å; F304-P307 HydrophobicContact CB-CB 4.09Å
305K96.5Very high97.7Very high31 Ų3134.5 Ų34.514%0.13518%0.175CC..SBendtrans-56.1-52.9175.5-63.7-69-177.4-179.20110.2N102 E103 V104 D154 R155 S209N102-K305 CarbonylContact O-C 3.53Å; N102-K305 WeakPolarHBondContact O-CB 3.26Å; E103-K305 WeakPolarHBondContact CA-O 3.34Å; E103-K305 HydrophobicContact CG-CD 3.44Å; E103-K305 VanDerWaalsContact CG-CD 3.44Å; E103-K305 IonicContact OE1-NZ 3.84Å; E103-K305 PolarHBondContact OE1-NZ 3.18Å; V104-K305 PolarHBondContact N-O 3.41Å; D154-K305 PolarHBondContact O-N 3.03Å; R155-K305 WeakPolarHBondContact O-CG 3.17Å; R155-K305 PolarHBondContact O-N 3.45Å; S209-K305 VanDerWaalsContact O-CD 3.29Å; S209-K305 WeakPolarHBondContact O-CD 3.28Å; S209-K305 WeakPolarHBondContact O-CE 3.46Å; S209-K305 PolarHBondContact O-NZ 2.88Å
306Y97.9Very high97.7Very high6 Ų634.6 Ų34.62%0.02418%0.175CC..SBendtrans-123.585.1177.5-154.8-35.7000110.7H41 N102 V104 A150 V151 E152 G153 D154H41-Y306 AromaticContact CD2-CE1 3.65Å; H41-Y306 AromaticContact CE1-CD1 3.87Å; H41-Y306 AromaticContact CE1-CE1 3.48Å; H41-Y306 VanDerWaalsContact CE1-CE1 3.48Å; H41-Y306 WeakPolarHBondContact CE1-CE1 3.49Å; H41-Y306 AromaticContact CG-CE1 3.73Å; H41-Y306 AromaticContact ND1-CE1 3.65Å; H41-Y306 AromaticContact NE2-CD1 3.95Å; H41-Y306 AromaticContact NE2-CE1 3.48Å; H41-Y306 WeakPolarHBondContact NE2-CE1 3.34Å; N102-Y306 PolarHBondContact O-N 3.24Å; V104-Y306 HydrophobicContact CB-CD1 4.09Å; V104-Y306 HydrophobicContact CB-CE1 4.32Å; V104-Y306 HydrophobicContact CB-CG 4.25Å; V104-Y306 HydrophobicContact CG1-CD1 4.26Å; V104-Y306 HydrophobicContact CG1-CE1 4.06Å; V104-Y306 HydrophobicContact CG2-CD1 3.82Å; V104-Y306 HydrophobicContact CG2-CD2 3.54Å; V104-Y306 HydrophobicContact CG2-CE1 3.97Å; V104-Y306 HydrophobicContact CG2-CE2 3.7Å; V104-Y306 HydrophobicContact CG2-CG 3.6Å; A150-Y306 HydrophobicContact CB-CD2 3.64Å; A150-Y306 HydrophobicContact CB-CE2 3.75Å; V151-Y306 WeakPolarHBondContact O-CB 3.32Å; V151-Y306 VanDerWaalsContact O-CD2 3.26Å; V151-Y306 WeakPolarHBondContact O-CD2 3.44Å; E152-Y306 VanDerWaalsContact CA-CD1 3.48Å; E152-Y306 HydrophobicContact CB-CD1 3.94Å; E152-Y306 HydrophobicContact CB-CE1 3.72Å; E152-Y306 HydrophobicContact CG-CD1 4.05Å; E152-Y306 HydrophobicContact CG-CE1 3.97Å; G153-Y306 CarbonylContact C-O 3.57Å; G153-Y306 VanDerWaalsContact CA-O 3.31Å; G153-Y306 WeakPolarHBondContact CA-O 3.26Å; G153-Y306 PolarHBondContact N-O 3.02Å; D154-Y306 PolarHBondContact N-O 2.93Å; D154-Y306 PolarHBondContact O-N 3.39Å
307P97.7Very high97.7Very high2 Ų237.5 Ų37.51%0.01319%0.19CC..  trans-67.9155.818029-34.3000112.3H41 L105 F304 L312 Y315H41-P307 PolarHBondContact CE1-O 3.42Å; H41-P307 PolarHBondContact NE2-O 3.3Å; L105-P307 HydrophobicContact CB-CG 4.47Å; F304-P307 HydrophobicContact CB-CB 4.09Å; P307-L312 HydrophobicContact CG-CD2 4.23Å; P307-Y315 HydrophobicContact CB-CD2 4.32Å; P307-Y315 HydrophobicContact CB-CE2 3.69Å; P307-Y315 HydrophobicContact CG-CD2 4.46Å; P307-Y315 HydrophobicContact CG-CE2 4.22Å
308Y98.3Very high97.6Very high134 Ų13438.9 Ų38.953%0.52520%0.197SC..  trans-64.4143.2172-68.7-69.8000111.9E152 S310 T311E152-Y308 HydrophobicContact CG-CD1 3.92Å; E152-Y308 HydrophobicContact CG-CE1 4.44Å; E152-Y308 VanDerWaalsContact OE1-CA 3.26Å; E152-Y308 WeakPolarHBondContact OE1-CA 3.49Å; Y308-S310 PolarHBondContact O-N 2.84Å; Y308-S310 VanDerWaalsContact O-N 3.12Å; Y308-T311 PolarHBondContact O-N 3.01Å; Y308-T311 PolarHBondContact O-OG1 3.3Å
309A98.2Very high97.6Very high26 Ų2638.6 Ų38.622%0.21520%0.195CC..Hα-helixtrans-52.5-37.7179.500000112.5H41 E152 T311 L312H41-A309 PolarHBondContact NE2-N 2.94Å; E152-A309 PolarHBondContact OE1-N 3.04Å; A309-T311 PolarHBondContact O-N 3.02Å; A309-L312 HydrophobicContact CB-CD1 4.32Å; A309-L312 WeakPolarHBondContact O-CB 3.23Å; A309-L312 WeakPolarHBondContact O-CG 3.45Å; A309-L312 PolarHBondContact O-N 3.33Å
310S98Very high97.6Very high108 Ų10839.3 Ų39.376%0.75520%0.198SC*.Hα-helixtrans-58.9-18.6176.9590000114.5Y308Y308-S310 PolarHBondContact O-N 2.84Å; Y308-S310 VanDerWaalsContact O-N 3.12Å
311T97.8Very high97.7Very high44 Ų4439.3 Ų39.327%0.2720%0.198SC..Hα-helixtrans-98-12.1178.764.90000113.7Y308 A309 Q313 K314 Y315Y308-T311 PolarHBondContact O-N 3.01Å; Y308-T311 PolarHBondContact O-OG1 3.3Å; A309-T311 PolarHBondContact O-N 3.02Å; T311-Q313 VanDerWaalsContact C-N 3.3Å; T311-Q313 PolarHBondContact O-N 3.42Å; T311-K314 WeakPolarHBondContact O-CB 3.2Å; T311-K314 PolarHBondContact O-N 2.99Å; T311-K314 VanDerWaalsContact O-N 3.07Å; T311-Y315 WeakPolarHBondContact O-CD2 3.44Å; T311-Y315 PolarHBondContact O-N 2.92Å; T311-Y315 VanDerWaalsContact O-N 3.16Å; T311-Y315 WeakPolarHBondContact OG1-CE2 3.05Å
312L98.6Very high97.7Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-59.7-38.2-174.8-67.2175.5000112.7F39 L105 E108 Y112 P307 A309 K314 Y315 W316F39-L312 HydrophobicContact CB-CB 4.3Å; F39-L312 HydrophobicContact CD1-CB 4.3Å; L105-L312 HydrophobicContact CD1-CD2 4.05Å; E108-L312 HydrophobicContact CB-CD2 4.36Å; E108-L312 HydrophobicContact CG-CD1 4.3Å; E108-L312 HydrophobicContact CG-CD2 4.34Å; Y112-L312 HydrophobicContact CE2-CB 4.5Å; P307-L312 HydrophobicContact CG-CD2 4.23Å; A309-L312 HydrophobicContact CB-CD1 4.32Å; A309-L312 WeakPolarHBondContact O-CB 3.23Å; A309-L312 WeakPolarHBondContact O-CG 3.45Å; A309-L312 PolarHBondContact O-N 3.33Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.31Å; L312-Y315 PolarHBondContact O-N 3.32Å; L312-W316 WeakPolarHBondContact O-CB 3.4Å; L312-W316 PolarHBondContact O-N 3.34Å
313Q98.4Very high97.8Very high105 Ų10539.2 Ų39.249%0.49120%0.198SC..Hα-helixtrans-62.9-39.7177.5-175.6175.741.400112.2F39 T311 N317F39-Q313 HydrophobicContact CB-CB 4.47Å; F39-Q313 HydrophobicContact CD1-CB 3.95Å; F39-Q313 HydrophobicContact CD2-CB 3.76Å; F39-Q313 HydrophobicContact CD2-CG 3.94Å; F39-Q313 HydrophobicContact CE1-CB 4.1Å; F39-Q313 HydrophobicContact CE1-CG 4.26Å; F39-Q313 HydrophobicContact CE2-CB 3.9Å; F39-Q313 HydrophobicContact CE2-CG 3.58Å; F39-Q313 HydrophobicContact CG-CB 3.78Å; F39-Q313 HydrophobicContact CG-CG 4.41Å; F39-Q313 HydrophobicContact CZ-CB 4.07Å; F39-Q313 HydrophobicContact CZ-CG 3.77Å; T311-Q313 VanDerWaalsContact C-N 3.3Å; T311-Q313 PolarHBondContact O-N 3.42Å; Q313-N317 WeakPolarHBondContact O-CB 3.38Å; Q313-N317 PolarHBondContact O-N 3.07Å; Q313-N317 PolarHBondContact O-ND2 3.36Å
314K98.1Very high98.1Very high124 Ų12438 Ų3854%0.53919%0.189SC..Hα-helixtrans-61.7-53.6175.9177.5-171163.8-1740109.5T311 L312 W316 N317 E318T311-K314 WeakPolarHBondContact O-CB 3.2Å; T311-K314 PolarHBondContact O-N 2.99Å; T311-K314 VanDerWaalsContact O-N 3.07Å; L312-K314 VanDerWaalsContact C-N 3.32Å; L312-K314 PolarHBondContact O-N 3.31Å; K314-W316 VanDerWaalsContact C-N 3.35Å; K314-W316 PolarHBondContact O-N 3Å; K314-N317 WeakPolarHBondContact O-CB 3.36Å; K314-N317 PolarHBondContact O-N 3.42Å; K314-N317 VanDerWaalsContact O-N 3.08Å; K314-E318 WeakPolarHBondContact CE-OE1 3.29Å; K314-E318 IonicContact NZ-OE1 3.18Å; K314-E318 WeakPolarHBondContact O-CG 3.38Å; K314-E318 PolarHBondContact O-N 3.16Å; K314-E318 VanDerWaalsContact O-N 3.09Å
315Y98.4Very high98.2Very high27 Ų2734.9 Ų34.911%0.10618%0.176CC..Hα-helixtrans-60.4-43-179.5-68.9-53.1000112.5L105 N302 P307 T311 L312 N317 E318 H319L105-Y315 HydrophobicContact CD1-CD2 4.17Å; L105-Y315 HydrophobicContact CD1-CG 4.11Å; L105-Y315 HydrophobicContact CD2-CD1 4.13Å; L105-Y315 HydrophobicContact CD2-CD2 4.2Å; L105-Y315 HydrophobicContact CD2-CG 3.77Å; N302-Y315 HydrophobicContact CB-CD1 4.03Å; N302-Y315 HydrophobicContact CB-CE1 3.66Å; P307-Y315 HydrophobicContact CB-CD2 4.32Å; P307-Y315 HydrophobicContact CB-CE2 3.69Å; P307-Y315 HydrophobicContact CG-CD2 4.46Å; P307-Y315 HydrophobicContact CG-CE2 4.22Å; T311-Y315 WeakPolarHBondContact O-CD2 3.44Å; T311-Y315 PolarHBondContact O-N 2.92Å; T311-Y315 VanDerWaalsContact O-N 3.16Å; T311-Y315 WeakPolarHBondContact OG1-CE2 3.05Å; L312-Y315 PolarHBondContact O-N 3.32Å; Y315-N317 VanDerWaalsContact C-N 3.28Å; Y315-N317 PolarHBondContact O-N 2.93Å; Y315-E318 VanDerWaalsContact CD1-OE2 3.26Å; Y315-E318 WeakPolarHBondContact CD1-OE2 3.36Å; Y315-E318 WeakPolarHBondContact O-CB 3.43Å; Y315-E318 PolarHBondContact O-N 3.01Å; Y315-H319 PolarHBondContact O-CD2 3.03Å; Y315-H319 VanDerWaalsContact O-CD2 3.23Å; Y315-H319 PolarHBondContact O-N 3.08Å
316W98.6Very high98.3Very high1 Ų133.4 Ų33.40%0.00417%0.17CC..Hα-helixtrans-55.2-45.4173.8170-112.2000112P36 F39 C109 Y112 L113 V116 L312 K314 E318 H319 K320 L323P36-W316 HydrophobicContact CG-CZ2 4.39Å; F39-W316 HydrophobicContact CE1-CB 3.81Å; F39-W316 AromaticContact CE1-CD1 3.81Å; F39-W316 AromaticContact CE1-CG 3.91Å; F39-W316 HydrophobicContact CE1-CG 3.91Å; F39-W316 AromaticContact CZ-CD1 3.85Å; F39-W316 HydrophobicContact CZ-CG 4.4Å; C109-W316 HydrophobicContact CB-CE3 4.34Å; C109-W316 WeakPolarHBondContact O-CZ3 3.1Å; Y112-W316 HydrophobicContact CD2-CB 4.19Å; Y112-W316 HydrophobicContact CD2-CD2 4.2Å; Y112-W316 HydrophobicContact CD2-CE3 4.08Å; Y112-W316 HydrophobicContact CD2-CG 4.25Å; Y112-W316 HydrophobicContact CG-CD2 4.44Å; Y112-W316 HydrophobicContact CG-CE3 4.37Å; L113-W316 HydrophobicContact CB-CH2 4.27Å; L113-W316 HydrophobicContact CB-CZ3 4.33Å; V116-W316 HydrophobicContact CB-CZ2 4.42Å; V116-W316 HydrophobicContact CG2-CH2 4.26Å; V116-W316 HydrophobicContact CG2-CZ2 3.61Å; L312-W316 WeakPolarHBondContact O-CB 3.4Å; L312-W316 PolarHBondContact O-N 3.34Å; K314-W316 VanDerWaalsContact C-N 3.35Å; K314-W316 PolarHBondContact O-N 3Å; W316-E318 PolarHBondContact O-N 3.22Å; W316-H319 PolarHBondContact O-N 3.38Å; W316-K320 HydrophobicContact CD2-CB 3.98Å; W316-K320 HydrophobicContact CE3-CB 4.13Å; W316-K320 HydrophobicContact CH2-CB 3.61Å; W316-K320 HydrophobicContact CZ2-CB 3.41Å; W316-K320 VanDerWaalsContact CZ2-CB 3.41Å; W316-K320 HydrophobicContact CZ2-CD 4.2Å; W316-K320 HydrophobicContact CZ2-CG 4.46Å; W316-K320 HydrophobicContact CZ3-CB 3.97Å; W316-K320 VanDerWaalsContact O-CB 3.32Å; W316-K320 WeakPolarHBondContact O-CB 3.36Å; W316-K320 PolarHBondContact O-N 2.97Å; W316-L323 HydrophobicContact CZ3-CD1 4.06Å
317N98.4Very high98.3Very high61 Ų6133.1 Ų33.133%0.32617%0.168SC..Hα-helixtrans-64.1-29.6178.1-76.2-41.7000113.1H23 Q313 K314 Y315 K320H23-N317 PolarHBondContact CE1-O 3.16Å; H23-N317 VanDerWaalsContact CE1-O 3.24Å; Q313-N317 WeakPolarHBondContact O-CB 3.38Å; Q313-N317 PolarHBondContact O-N 3.07Å; Q313-N317 PolarHBondContact O-ND2 3.36Å; K314-N317 WeakPolarHBondContact O-CB 3.36Å; K314-N317 PolarHBondContact O-N 3.42Å; K314-N317 VanDerWaalsContact O-N 3.08Å; Y315-N317 VanDerWaalsContact C-N 3.28Å; Y315-N317 PolarHBondContact O-N 2.93Å; N317-K320 PolarHBondContact OD1-NZ 2.96Å
318E98.2Very high98.3Very high29 Ų2934.9 Ų34.914%0.13618%0.178CC..Hα-helixtrans-74.4-37.7177-64.8170.815400111.9H248 T249 K314 Y315 W316H248-E318 PolarHBondContact CD2-O 3.09Å; T249-E318 HydrophobicContact CG2-CB 4.24Å; T249-E318 HydrophobicContact CG2-CG 3.99Å; T249-E318 WeakPolarHBondContact OG1-CG 3.23Å; K314-E318 WeakPolarHBondContact CE-OE1 3.29Å; K314-E318 IonicContact NZ-OE1 3.18Å; K314-E318 WeakPolarHBondContact O-CG 3.38Å; K314-E318 PolarHBondContact O-N 3.16Å; K314-E318 VanDerWaalsContact O-N 3.09Å; Y315-E318 VanDerWaalsContact CD1-OE2 3.26Å; Y315-E318 WeakPolarHBondContact CD1-OE2 3.36Å; Y315-E318 WeakPolarHBondContact O-CB 3.43Å; Y315-E318 PolarHBondContact O-N 3.01Å; W316-E318 PolarHBondContact O-N 3.22Å
319H98.7Very high98.2Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-99-22.7-171.5-73-82.6000116.3Y244 H248 M301 Y315 W316 Y321 S322 L323Y244-H319 AromaticContact CE1-ND1 3.88Å; Y244-H319 AromaticContact CZ-ND1 3.75Å; Y244-H319 PolarHBondContact OH-ND1 2.8Å; H248-H319 AromaticContact CD2-CE1 3.44Å; H248-H319 PolarHBondContact CD2-CE1 3.29Å; H248-H319 VanDerWaalsContact CD2-CE1 3.44Å; H248-H319 AromaticContact CD2-CG 3.84Å; H248-H319 AromaticContact CD2-ND1 3.42Å; H248-H319 PolarHBondContact CD2-ND1 2.91Å; H248-H319 AromaticContact CD2-NE2 3.91Å; H248-H319 AromaticContact NE2-CD2 3.58Å; H248-H319 AromaticContact NE2-CE1 3.18Å; H248-H319 PolarHBondContact NE2-CE1 2.86Å; H248-H319 AromaticContact NE2-CG 3.79Å; H248-H319 AromaticContact NE2-ND1 3.57Å; H248-H319 AromaticContact NE2-NE2 3.22Å; H248-H319 PolarHBondContact NE2-NE2 2.84Å; M301-H319 HydrophobicContact CE-CB 3.87Å; M301-H319 VanDerWaalsContact CE-CG 3.5Å; M301-H319 PolarHBondContact O-CE1 3.04Å; M301-H319 VanDerWaalsContact O-CE1 3.24Å; M301-H319 PolarHBondContact O-NE2 3.28Å; M301-H319 VanDerWaalsContact O-NE2 3.08Å; Y315-H319 PolarHBondContact O-CD2 3.03Å; Y315-H319 VanDerWaalsContact O-CD2 3.23Å; Y315-H319 PolarHBondContact O-N 3.08Å; W316-H319 PolarHBondContact O-N 3.38Å; H319-Y321 VanDerWaalsContact C-N 3.28Å; H319-Y321 PolarHBondContact O-N 2.82Å; H319-Y321 VanDerWaalsContact O-N 3.15Å; H319-S322 WeakPolarHBondContact O-CA 3.41Å; H319-S322 WeakPolarHBondContact O-CB 3.49Å; H319-S322 PolarHBondContact O-N 3.11Å; H319-L323 HydrophobicContact CB-CD1 4.38Å; H319-L323 PolarHBondContact O-N 3.27Å
320K98.6Very high98Very high14 Ų1427.9 Ų27.96%0.06115%0.145CC..Hα-helixtrans-55.8-39.5-16966.3-169.1-179.8-168.60114.3Q35 W316 N317 L324Q35-K320 VanDerWaalsContact CD-NZ 3.33Å; W316-K320 HydrophobicContact CD2-CB 3.98Å; W316-K320 HydrophobicContact CE3-CB 4.13Å; W316-K320 HydrophobicContact CH2-CB 3.61Å; W316-K320 HydrophobicContact CZ2-CB 3.41Å; W316-K320 VanDerWaalsContact CZ2-CB 3.41Å; W316-K320 HydrophobicContact CZ2-CD 4.2Å; W316-K320 HydrophobicContact CZ2-CG 4.46Å; W316-K320 HydrophobicContact CZ3-CB 3.97Å; W316-K320 VanDerWaalsContact O-CB 3.32Å; W316-K320 WeakPolarHBondContact O-CB 3.36Å; W316-K320 PolarHBondContact O-N 2.97Å; N317-K320 PolarHBondContact OD1-NZ 2.96Å; K320-L324 VanDerWaalsContact O-CG 3.3Å; K320-L324 WeakPolarHBondContact O-CG 3.17Å; K320-L324 PolarHBondContact O-N 3.1Å; K320-L324 VanDerWaalsContact O-N 3.12Å
321Y98.6Very high97.9Very high10 Ų1024.9 Ų24.94%0.03912%0.119CC..Hα-helixtrans-74.6-34.8178.6-62.5-52.2000112.2H23 A26 K27 I30 L33 H319 L324 L325H23-Y321 AromaticContact CE1-CD2 3.57Å; H23-Y321 AromaticContact ND1-CD2 3.99Å; H23-Y321 AromaticContact NE2-CD2 3.69Å; H23-Y321 AromaticContact NE2-CE2 3.87Å; A26-Y321 HydrophobicContact CB-CG 4.13Å; K27-Y321 HydrophobicContact CB-CD2 4.3Å; K27-Y321 HydrophobicContact CB-CE1 4.39Å; K27-Y321 HydrophobicContact CB-CE2 3.64Å; K27-Y321 HydrophobicContact CD-CE2 4.29Å; K27-Y321 HydrophobicContact CG-CE2 4.09Å; K27-Y321 WeakPolarHBondContact CG-OH 3.21Å; I30-Y321 HydrophobicContact CB-CD1 4.45Å; I30-Y321 HydrophobicContact CB-CE1 4.29Å; I30-Y321 HydrophobicContact CD1-CD1 3.59Å; I30-Y321 HydrophobicContact CD1-CE1 4.28Å; I30-Y321 HydrophobicContact CG2-CE1 4.3Å; L33-Y321 HydrophobicContact CD1-CE1 4.21Å; H319-Y321 VanDerWaalsContact C-N 3.28Å; H319-Y321 PolarHBondContact O-N 2.82Å; H319-Y321 VanDerWaalsContact O-N 3.15Å; Y321-L324 PolarHBondContact O-N 3.18Å; Y321-L325 VanDerWaalsContact O-CB 3.32Å; Y321-L325 WeakPolarHBondContact O-CB 3.24Å; Y321-L325 VanDerWaalsContact O-CG 3.3Å; Y321-L325 WeakPolarHBondContact O-CG 3.34Å; Y321-L325 PolarHBondContact O-N 3.41Å
322S98.7Very high97.7Very high0 Ų023.3 Ų23.30%011%0.108CC..Hα-helixtrans-61.5-45.2171.8-60.70000112.1Y244 A247 H248 H319 F326Y244-S322 WeakPolarHBondContact CD2-O 3.47Å; Y244-S322 VanDerWaalsContact O-CB 3.3Å; Y244-S322 WeakPolarHBondContact O-CB 3.4Å; Y244-S322 PolarHBondContact O-OG 3.27Å; A247-S322 WeakPolarHBondContact CB-OG 3.32Å; H248-S322 WeakPolarHBondContact CA-OG 3.45Å; H248-S322 PolarHBondContact N-OG 2.99Å; H319-S322 WeakPolarHBondContact O-CA 3.41Å; H319-S322 WeakPolarHBondContact O-CB 3.49Å; H319-S322 PolarHBondContact O-N 3.11Å; S322-F326 WeakPolarHBondContact O-CB 3.47Å; S322-F326 PolarHBondContact O-N 3.3Å
323L98.8Very high97.6Very high1 Ų123.4 Ų23.41%0.00511%0.109CC..Hα-helixtrans-61.2-49.2176.8-72.5165.4000111.4C109 L207 Y244 W316 H319 F326 I327C109-L323 HydrophobicContact CB-CD1 4.22Å; L207-L323 HydrophobicContact CD1-CD2 4.15Å; Y244-L323 HydrophobicContact CE2-CD2 3.94Å; Y244-L323 HydrophobicContact CE2-CG 4.1Å; W316-L323 HydrophobicContact CZ3-CD1 4.06Å; H319-L323 HydrophobicContact CB-CD1 4.38Å; H319-L323 PolarHBondContact O-N 3.27Å; L323-F326 PolarHBondContact O-N 2.87Å; L323-I327 VanDerWaalsContact O-CG1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.28Å; L323-I327 PolarHBondContact O-N 2.79Å; L323-I327 VanDerWaalsContact O-N 3.09Å
324L98.7Very high97.5Very high1 Ų118.4 Ų18.41%0.0059%0.086CC..Hα-helixtrans-61.9-45.9179.5-71.5172.3000112.4I30 L33 L113 L117 Y126 I127 L130 K320 Y321 F326 I327 D328I30-L324 HydrophobicContact CD1-CB 4.11Å; I30-L324 HydrophobicContact CD1-CD1 4.09Å; I30-L324 HydrophobicContact CG2-CD1 4.24Å; L33-L324 HydrophobicContact CD1-CD1 3.97Å; L113-L324 HydrophobicContact CD1-CD2 3.89Å; L113-L324 HydrophobicContact CD1-CG 4.43Å; L117-L324 HydrophobicContact CD2-CD2 4.2Å; Y126-L324 HydrophobicContact CE1-CB 4.24Å; I127-L324 HydrophobicContact CD1-CD1 3.93Å; I127-L324 HydrophobicContact CD1-CD2 3.47Å; I127-L324 VanDerWaalsContact CD1-CD2 3.47Å; I127-L324 HydrophobicContact CD1-CG 4.36Å; L130-L324 HydrophobicContact CD2-CD2 4.03Å; K320-L324 VanDerWaalsContact O-CG 3.3Å; K320-L324 WeakPolarHBondContact O-CG 3.17Å; K320-L324 PolarHBondContact O-N 3.1Å; K320-L324 VanDerWaalsContact O-N 3.12Å; Y321-L324 PolarHBondContact O-N 3.18Å; L324-F326 VanDerWaalsContact C-N 3.31Å; L324-F326 PolarHBondContact O-N 2.97Å; L324-I327 PolarHBondContact O-N 3.42Å; L324-D328 PolarHBondContact O-N 3.23Å
325L98Very high97.4Very high9 Ų916.2 Ų16.25%0.0477%0.074CC..Hα-helixtrans-68.3-31177.9-72.1178.4000112.6L21 A26 M29 A247 Y321 D328 Q329L21-L325 HydrophobicContact CB-CD1 3.8Å; L21-L325 HydrophobicContact CD1-CD1 4.18Å; L21-L325 HydrophobicContact CD1-CD2 3.69Å; A26-L325 HydrophobicContact CB-CD1 3.5Å; A26-L325 HydrophobicContact CB-CG 4.33Å; M29-L325 HydrophobicContact CE-CD2 3.69Å; A247-L325 HydrophobicContact CB-CD1 3.63Å; Y321-L325 VanDerWaalsContact O-CB 3.32Å; Y321-L325 WeakPolarHBondContact O-CB 3.24Å; Y321-L325 VanDerWaalsContact O-CG 3.3Å; Y321-L325 WeakPolarHBondContact O-CG 3.34Å; Y321-L325 PolarHBondContact O-N 3.41Å; L325-D328 WeakPolarHBondContact O-CB 3.32Å; L325-D328 PolarHBondContact O-N 2.87Å; L325-Q329 WeakPolarHBondContact O-CG 3.26Å; L325-Q329 PolarHBondContact O-N 3.17Å; L325-Q329 PolarHBondContact O-NE2 3.04Å
326F98.5Very high97.3Very high0 Ų014.9 Ų14.90%07%0.069CC..Hα-helixtrans-66.2-44.5175.5-178.8-94.2000112L95 L203 S204 A205 L240 Y244 V297 S322 L323 L324 D328 Q329L95-F326 HydrophobicContact CD2-CD1 4.08Å; L95-F326 HydrophobicContact CD2-CE1 4.05Å; L203-F326 HydrophobicContact CD1-CE1 4.25Å; L203-F326 HydrophobicContact CD1-CE2 4.2Å; L203-F326 HydrophobicContact CD1-CZ 3.63Å; L203-F326 HydrophobicContact CD2-CE1 4.11Å; L203-F326 HydrophobicContact CD2-CZ 4.15Å; L203-F326 WeakPolarHBondContact CD2-O 3.14Å; L203-F326 HydrophobicContact CG-CE1 3.98Å; L203-F326 HydrophobicContact CG-CZ 3.89Å; S204-F326 WeakPolarHBondContact O-CZ 3.24Å; A205-F326 HydrophobicContact CB-CD1 4.29Å; A205-F326 HydrophobicContact CB-CE1 3.52Å; A205-F326 HydrophobicContact CB-CZ 3.74Å; L240-F326 HydrophobicContact CB-CE2 4.31Å; Y244-F326 HydrophobicContact CD2-CB 3.82Å; Y244-F326 HydrophobicContact CD2-CD2 4.3Å; Y244-F326 HydrophobicContact CD2-CG 4.17Å; V297-F326 HydrophobicContact CG2-CE2 3.51Å; V297-F326 HydrophobicContact CG2-CZ 3.61Å; S322-F326 WeakPolarHBondContact O-CB 3.47Å; S322-F326 PolarHBondContact O-N 3.3Å; L323-F326 PolarHBondContact O-N 2.87Å; L324-F326 VanDerWaalsContact C-N 3.31Å; L324-F326 PolarHBondContact O-N 2.97Å; F326-D328 PolarHBondContact O-N 2.96Å; F326-Q329 VanDerWaalsContact O-CB 3.31Å; F326-Q329 WeakPolarHBondContact O-CB 3.43Å; F326-Q329 WeakPolarHBondContact O-CG 3.48Å; F326-Q329 PolarHBondContact O-N 3.15Å
327I98Very high97.3Very high0 Ų017 Ų170%08%0.079CC..Hα-helixtrans-55.5-42.4173.9-64.1166.5000110.2L93 L95 L113 L130 T134 I136 L323 L324 Q329 V330L93-I327 HydrophobicContact CD1-CG1 4.19Å; L93-I327 HydrophobicContact CD1-CG2 4.34Å; L93-I327 HydrophobicContact CD2-CB 4.21Å; L93-I327 HydrophobicContact CD2-CG2 3.63Å; L93-I327 WeakPolarHBondContact CD2-O 3.45Å; L95-I327 HydrophobicContact CD1-CD1 4.08Å; L95-I327 HydrophobicContact CD1-CG1 4.09Å; L113-I327 HydrophobicContact CD1-CD1 4.27Å; L113-I327 HydrophobicContact CD2-CD1 3.98Å; L130-I327 HydrophobicContact CD1-CB 4.27Å; L130-I327 HydrophobicContact CD1-CG2 3.62Å; L130-I327 HydrophobicContact CD2-CB 4.15Å; L130-I327 HydrophobicContact CD2-CD1 4.41Å; L130-I327 HydrophobicContact CD2-CG2 3.76Å; L130-I327 HydrophobicContact CG-CG2 3.74Å; T134-I327 HydrophobicContact CG2-CG2 4.26Å; I136-I327 HydrophobicContact CD1-CG2 3.72Å; I136-I327 HydrophobicContact CG1-CG2 3.87Å; I136-I327 HydrophobicContact CG2-CD1 4.47Å; L323-I327 VanDerWaalsContact O-CG1 3.26Å; L323-I327 WeakPolarHBondContact O-CG1 3.28Å; L323-I327 PolarHBondContact O-N 2.79Å; L323-I327 VanDerWaalsContact O-N 3.09Å; L324-I327 PolarHBondContact O-N 3.42Å; I327-Q329 PolarHBondContact O-N 3.41Å; I327-V330 VanDerWaalsContact O-CG1 3.25Å; I327-V330 WeakPolarHBondContact O-CG1 3.32Å; I327-V330 PolarHBondContact O-N 3.18Å
328D95.9Very high97.2Very high39 Ų3914.1 Ų14.121%0.2096%0.063CC..Hα-helixtrans-62.9-22.1178.5-152.725.8000113.3Y126 L130 L324 L325 F326 V330 H331Y126-D328 VanDerWaalsContact OH-CB 3.26Å; Y126-D328 WeakPolarHBondContact OH-CB 3.46Å; Y126-D328 PolarHBondContact OH-OD2 2.78Å; L130-D328 HydrophobicContact CD1-CB 4.2Å; L324-D328 PolarHBondContact O-N 3.23Å; L325-D328 WeakPolarHBondContact O-CB 3.32Å; L325-D328 PolarHBondContact O-N 2.87Å; F326-D328 PolarHBondContact O-N 2.96Å; D328-V330 PolarHBondContact O-N 3.33Å; D328-H331 PolarHBondContact O-N 3.42Å
329Q96.2Very high97.1Very high13 Ų1316.4 Ų16.46%0.0617%0.071CC..G310 helixtrans-68.6-15.1179.6-54.6-50.1-72.800113.5L203 L240 A243 L325 F326 I327 H331 R332L203-Q329 HydrophobicContact CD2-CB 3.93Å; L240-Q329 HydrophobicContact CD2-CB 3.41Å; L240-Q329 VanDerWaalsContact CD2-CB 3.41Å; L240-Q329 HydrophobicContact CD2-CG 3.95Å; A243-Q329 HydrophobicContact CB-CG 4.03Å; L325-Q329 WeakPolarHBondContact O-CG 3.26Å; L325-Q329 PolarHBondContact O-N 3.17Å; L325-Q329 PolarHBondContact O-NE2 3.04Å; F326-Q329 VanDerWaalsContact O-CB 3.31Å; F326-Q329 WeakPolarHBondContact O-CB 3.43Å; F326-Q329 WeakPolarHBondContact O-CG 3.48Å; F326-Q329 PolarHBondContact O-N 3.15Å; I327-Q329 PolarHBondContact O-N 3.41Å; Q329-H331 PolarHBondContact O-N 3.32Å; Q329-H331 VanDerWaalsContact O-N 3.16Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 2.99Å
330V95.7Very high96.9Very high0 Ų016.6 Ų16.60%07%0.072CC..G310 helixtrans-59.8-24.1174.977.60000112.1L93 T134 V202 L203 I327 D328 R332L93-V330 HydrophobicContact CB-CG2 4.24Å; L93-V330 HydrophobicContact CD2-CB 3.77Å; L93-V330 HydrophobicContact CD2-CG1 3.84Å; L93-V330 HydrophobicContact CD2-CG2 4.16Å; T134-V330 HydrophobicContact CG2-CG1 3.8Å; V202-V330 HydrophobicContact CB-CG2 3.8Å; V202-V330 HydrophobicContact CG1-CG2 4.01Å; L203-V330 HydrophobicContact CB-CB 4.24Å; L203-V330 HydrophobicContact CB-CG2 4.02Å; L203-V330 HydrophobicContact CD2-CB 4.13Å; I327-V330 VanDerWaalsContact O-CG1 3.25Å; I327-V330 WeakPolarHBondContact O-CG1 3.32Å; I327-V330 PolarHBondContact O-N 3.18Å; D328-V330 PolarHBondContact O-N 3.33Å; V330-R332 PolarHBondContact O-N 3.23Å
331H94.5Very high96.6Very high44 Ų4424 Ų2420%0.20410%0.1CC..G310 helixtrans-89.133.6-178.5-63.5-53.9000113.4S133 T134 D328 Q329 S399 A400S133-H331 PolarHBondContact O-CE1 2.91Å; S133-H331 PolarHBondContact OG-NE2 3.33Å; T134-H331 PolarHBondContact OG1-NE2 2.91Å; D328-H331 PolarHBondContact O-N 3.42Å; Q329-H331 PolarHBondContact O-N 3.32Å; Q329-H331 VanDerWaalsContact O-N 3.16Å; H331-S399 CarbonylContact O-C 3.14Å; H331-A400 WeakPolarHBondContact O-CB 3.36Å; H331-A400 PolarHBondContact O-N 3.45Å
332R94.8Very high96.2Very high12 Ų1227.8 Ų27.85%0.04513%0.127CC..  trans-111.6166176.9-69.4-171.8175.7-92.35.5112.5M239 Q329 V330 L371 D397 H398M239-R332 HydrophobicContact CE-CB 4.48Å; M239-R332 VanDerWaalsContact SD-CD 3.57Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 2.99Å; V330-R332 PolarHBondContact O-N 3.23Å; R332-L371 HydrophobicContact CB-CD2 4.36Å; R332-L371 WeakPolarHBondContact O-CD2 3.29Å; R332-D397 IonicContact CZ-OD1 3.09Å; R332-D397 IonicContact NH1-OD1 3.18Å; R332-D397 PolarHBondContact NH1-OD1 3.04Å; R332-D397 IonicContact NH2-OD1 2.85Å; R332-H398 PolarHBondContact NH2-CD2 3.29Å
333G96.4Very high96Very high1 Ų129.5 Ų29.51%0.0115%0.145CC..SBendtrans78.2-130.5176.500000112.9R370 A400 S401G333-R370 WeakPolarHBondContact CA-O 3.37Å; G333-A400 CarbonylContact O-C 3.49Å; G333-A400 VanDerWaalsContact O-CA 3.31Å; G333-A400 WeakPolarHBondContact O-CA 3.5Å; G333-S401 PolarHBondContact O-N 3.28Å
334I96.6Very high95.8Very high0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-127.7148.4-179.165.3174.7000110.4Y368 R370 L372 V379 V393 V395 S401 V403I334-Y368 HydrophobicContact CD1-CE2 4.05Å; I334-Y368 HydrophobicContact CG1-CE2 4.01Å; I334-R370 HydrophobicContact CD1-CB 4.21Å; I334-R370 HydrophobicContact CG1-CB 3.7Å; I334-R370 HydrophobicContact CG1-CG 4.32Å; I334-R370 PolarHBondContact N-O 3.03Å; I334-R370 PolarHBondContact O-N 2.75Å; I334-L372 HydrophobicContact CD1-CD1 4.31Å; I334-L372 HydrophobicContact CG1-CD1 4.23Å; I334-L372 HydrophobicContact CG2-CD1 4.28Å; I334-V379 HydrophobicContact CD1-CG1 4.05Å; I334-V379 HydrophobicContact CD1-CG2 3.88Å; I334-V393 HydrophobicContact CG2-CG1 3.64Å; I334-V395 HydrophobicContact CG2-CG2 3.61Å; I334-S401 VanDerWaalsContact CA-O 3.31Å; I334-S401 WeakPolarHBondContact CA-O 3.08Å; I334-V403 HydrophobicContact CB-CG2 4.43Å; I334-V403 HydrophobicContact CG2-CG2 4.4Å
335Y96Very high95.7Very high78 Ų7839 Ų3931%0.30619%0.193SC..EExtended strand (participates in β ladder)trans-144.6161.9174.276.7-75000110Y368 W369 A400 S401 R402 V403Y335-Y368 VanDerWaalsContact CA-O 3.27Å; Y335-Y368 WeakPolarHBondContact CA-O 3.25Å; Y335-W369 HydrophobicContact CD2-CZ2 4.03Å; Y335-W369 HydrophobicContact CG-CZ2 4.5Å; Y335-W369 AromaticContact CG-NE1 3.95Å; Y335-A400 HydrophobicContact CD1-CB 3.61Å; Y335-A400 HydrophobicContact CE1-CB 4.01Å; Y335-S401 PolarHBondContact N-O 3.04Å; Y335-S401 VanDerWaalsContact N-O 3.08Å; Y335-R402 HydrophobicContact CD1-CB 4.43Å; Y335-R402 HydrophobicContact CE1-CB 3.79Å; Y335-R402 HydrophobicContact CE2-CB 4.28Å; Y335-R402 HydrophobicContact CE2-CG 4.19Å; Y335-R402 CarbonylContact O-C 3.47Å; Y335-R402 VanDerWaalsContact O-CA 3.23Å; Y335-R402 WeakPolarHBondContact O-CA 2.91Å; Y335-V403 PolarHBondContact O-N 3.36Å
336G96Very high95.4Very high0 Ų038.7 Ų38.70%019%0.191CC..EExtended strand (participates in β ladder)trans165.1-161.6175.800000112.2D367 Y368 D404G336-D367 CarbonylContact O-C 3.55Å; G336-D367 VanDerWaalsContact O-CA 3.31Å; G336-D367 WeakPolarHBondContact O-CA 3.4Å; G336-Y368 PolarHBondContact N-O 3.5Å; G336-Y368 VanDerWaalsContact N-O 3.13Å; G336-Y368 VanDerWaalsContact O-CD1 3.24Å; G336-Y368 WeakPolarHBondContact O-CD1 3.37Å; G336-Y368 PolarHBondContact O-N 3.31Å; G336-D404 WeakPolarHBondContact CA-OD1 3.45Å
337F97.2Very high95.1Very high46 Ų4643.1 Ų43.120%0.20221%0.212CC..EExtended strand (participates in β ladder)trans-120136.6177.8-65.3-92.8000111.4R339 G366 D367 D404 F405F337-R339 HydrophobicContact CB-CG 4.28Å; F337-G366 CarbonylContact C-O 3.56Å; F337-G366 WeakPolarHBondContact CA-O 3.45Å; F337-D367 HydrophobicContact CD1-CB 3.92Å; F337-D367 HydrophobicContact CE1-CB 3.69Å; F337-D367 HydrophobicContact CZ-CB 4.33Å; F337-D404 PolarHBondContact N-OD1 2.92Å; F337-D404 CarbonylContact O-C 3.59Å; F337-D404 WeakPolarHBondContact O-CA 3.43Å; F337-F405 PolarHBondContact O-N 3.47Å
338V96.2Very high94.6Very high0 Ų047.5 Ų47.50%024%0.235CC..EExtended strand (participates in β ladder)trans-95.5117.4164.3-1690000108.4V346 A349 G366 Y368 V381 F405 L407V338-V346 HydrophobicContact CB-CB 4.5Å; V338-V346 HydrophobicContact CG1-CB 4.01Å; V338-V346 PolarHBondContact O-N 2.95Å; V338-A349 HydrophobicContact CB-CB 4.23Å; V338-A349 HydrophobicContact CG1-CB 3.77Å; V338-A349 HydrophobicContact CG2-CB 4.27Å; V338-G366 PolarHBondContact N-O 3Å; V338-G366 WeakPolarHBondContact O-CA 3.41Å; V338-Y368 HydrophobicContact CG2-CD1 3.96Å; V338-Y368 HydrophobicContact CG2-CE1 4.38Å; V338-V381 HydrophobicContact CG1-CG1 3.76Å; V338-V381 HydrophobicContact CG2-CG1 4.01Å; V338-F405 WeakPolarHBondContact CA-O 3.49Å; V338-F405 HydrophobicContact CG1-CB 4.42Å; V338-F405 HydrophobicContact CG2-CB 4.44Å; V338-L407 HydrophobicContact CG1-CD1 3.66Å; V338-L407 HydrophobicContact CG1-CD2 4.48Å; V338-L407 HydrophobicContact CG1-CG 3.8Å
339R97.4Very high94.1Very high76 Ų7645.6 Ų45.629%0.28723%0.225SC..EExtended strand (participates in β ladder)trans-127.8154.9179.4-64.3179.3-177.3-85.7-8.3110.1F337 G343 K344 F405 Y406 L407F337-R339 HydrophobicContact CB-CG 4.28Å; R339-G343 PolarHBondContact NH1-O 2.89Å; R339-K344 CarbonylContact C-O 3.53Å; R339-K344 VanDerWaalsContact CA-O 3.23Å; R339-K344 WeakPolarHBondContact CA-O 3.15Å; R339-F405 PolarHBondContact N-O 3.33Å; R339-Y406 HydrophobicContact CB-CD1 4.19Å; R339-Y406 HydrophobicContact CB-CE1 4.36Å; R339-Y406 CarbonylContact O-C 3.17Å; R339-Y406 WeakPolarHBondContact O-CA 3.35Å; R339-L407 PolarHBondContact O-N 3.35Å
340S94.1Very high93.6Very high5 Ų547 Ų474%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-70.9164.416468.30000110S342 G343 K344 L407S340-S342 PolarHBondContact O-N 2.99Å; S340-S342 VanDerWaalsContact O-N 3.14Å; S340-S342 PolarHBondContact OG-N 3.46Å; S340-S342 PolarHBondContact OG-OG 2.89Å; S340-G343 WeakPolarHBondContact O-CA 3.48Å; S340-G343 PolarHBondContact O-N 2.69Å; S340-K344 PolarHBondContact N-O 3.07Å; S340-K344 WeakPolarHBondContact OG-CB 3.14Å; S340-K344 PolarHBondContact OG-N 3.09Å; S340-K344 PolarHBondContact OG-O 2.79Å; S340-L407 CarbonylContact C-O 3.58Å; S340-L407 VanDerWaalsContact CA-O 3.29Å; S340-L407 WeakPolarHBondContact CA-O 3.4Å
341R91.6Very high93.3Very high169 Ų16947 Ų4764%0.63824%0.235SC*.THydrogen-bonded Turntrans-58.7-22.6171.1-72-68.3175.8-177.71.9113.9G343 L407R341-G343 PolarHBondContact O-N 2.91Å; R341-L407 PolarHBondContact N-O 3.35Å
342S91.1Very high93Very high89 Ų8947.8 Ų47.862%0.62224%0.238SC*.THydrogen-bonded Turntrans-80.41.2172.171.50000114.3S340 K344S340-S342 PolarHBondContact O-N 2.99Å; S340-S342 VanDerWaalsContact O-N 3.14Å; S340-S342 PolarHBondContact OG-N 3.46Å; S340-S342 PolarHBondContact OG-OG 2.89Å; S342-K344 VanDerWaalsContact C-N 3.33Å; S342-K344 PolarHBondContact O-N 3.08Å
343G93.8Very high92.5Very high36 Ų3647.2 Ų47.237%0.37124%0.236SC..SBendtrans86.4-8.1179.500000115.3R339 S340 R341R339-G343 PolarHBondContact NH1-O 2.89Å; S340-G343 WeakPolarHBondContact O-CA 3.48Å; S340-G343 PolarHBondContact O-N 2.69Å; R341-G343 PolarHBondContact O-N 2.91Å
344K95.6Very high91.9Very high142 Ų14250.8 Ų50.862%0.61725%0.252SS*.  trans-63.8137.1176.9-61.6-177.7-178.9-179.30111.2R339 S340 S342R339-K344 CarbonylContact C-O 3.53Å; R339-K344 VanDerWaalsContact CA-O 3.23Å; R339-K344 WeakPolarHBondContact CA-O 3.15Å; S340-K344 PolarHBondContact N-O 3.07Å; S340-K344 WeakPolarHBondContact OG-CB 3.14Å; S340-K344 PolarHBondContact OG-N 3.09Å; S340-K344 PolarHBondContact OG-O 2.79Å; S342-K344 VanDerWaalsContact C-N 3.33Å; S342-K344 PolarHBondContact O-N 3.08Å
345P96.6Very high91.1Very high61 Ų6154.9 Ų54.940%0.39629%0.294SS..BIsolated β-bridgetrans-61.5143.7172.828.4-34.7000110.8D365P345-D365 VanDerWaalsContact CB-O 3.31Å; P345-D365 WeakPolarHBondContact CB-O 3.11Å
346V91.1Very high90.6Very high2 Ų252.1 Ų52.11%0.01229%0.285CS..  trans-112.6106.7173.9-1760000107.8V338 A349 S362 H383 Y386 L407V338-V346 HydrophobicContact CB-CB 4.5Å; V338-V346 HydrophobicContact CG1-CB 4.01Å; V338-V346 PolarHBondContact O-N 2.95Å; V346-A349 HydrophobicContact CG1-CB 4.04Å; V346-S362 WeakPolarHBondContact O-CB 2.93Å; V346-S362 PolarHBondContact O-OG 2.96Å; V346-H383 HydrophobicContact CG1-CB 4.2Å; V346-Y386 HydrophobicContact CB-CE2 4.36Å; V346-Y386 HydrophobicContact CG1-CD2 4.03Å; V346-Y386 HydrophobicContact CG1-CE2 3.65Å; V346-Y386 HydrophobicContact CG2-CD2 4.35Å; V346-Y386 HydrophobicContact CG2-CE2 3.73Å; V346-L407 HydrophobicContact CG1-CD1 4.17Å; V346-L407 HydrophobicContact CG2-CD1 4.43Å
347Q92.2Very high90.1Very high92 Ų9256.4 Ų56.443%0.4332%0.315SS..THydrogen-bonded Turntrans-76.2153.4171.8-175.4-177-18.400110.2A349 H383Q347-A349 PolarHBondContact O-N 2.82Å; Q347-A349 VanDerWaalsContact O-N 3.1Å; Q347-H383 PolarHBondContact O-CD2 3.41Å; Q347-H383 VanDerWaalsContact O-CD2 3.3Å; Q347-H383 PolarHBondContact O-NE2 3.25Å
348D86.8Confident89.5Confident92 Ų9255.3 Ų55.349%0.49231%0.31SS..THydrogen-bonded Turntrans60.421.2173.6-54.3-38.7000113.7S362D348-S362 PolarHBondContact N-O 2.99Å; D348-S362 PolarHBondContact N-OG 3.33Å
349A86.5Confident89Confident0 Ų058.6 Ų58.60%033%0.328CS..  trans-71.4132.3169.200000108.7V338 V346 Q347 I351 T361 S362 V381 S382 H383 L407V338-A349 HydrophobicContact CB-CB 4.23Å; V338-A349 HydrophobicContact CG1-CB 3.77Å; V338-A349 HydrophobicContact CG2-CB 4.27Å; V346-A349 HydrophobicContact CG1-CB 4.04Å; Q347-A349 PolarHBondContact O-N 2.82Å; Q347-A349 VanDerWaalsContact O-N 3.1Å; A349-I351 VanDerWaalsContact O-CD1 3.29Å; A349-I351 WeakPolarHBondContact O-CD1 3.31Å; A349-T361 CarbonylContact O-C 3.51Å; A349-T361 VanDerWaalsContact O-CA 3.22Å; A349-T361 WeakPolarHBondContact O-CA 2.92Å; A349-S362 VanDerWaalsContact CB-OG 3.29Å; A349-S362 WeakPolarHBondContact CB-OG 3.49Å; A349-S362 PolarHBondContact N-OG 3.24Å; A349-S362 PolarHBondContact O-N 3.19Å; A349-V381 HydrophobicContact CB-CG1 3.89Å; A349-S382 CarbonylContact C-O 3.55Å; A349-S382 WeakPolarHBondContact CA-O 3.32Å; A349-H383 HydrophobicContact CB-CB 4.2Å; A349-L407 HydrophobicContact CB-CD1 4.42Å
350V86Confident88.6Confident43 Ų4355 Ų5526%0.26131%0.314SS..EExtended strand (participates in β ladder)trans-84.5120.5-179.2-179.90000108.9N359 T361 V381 S382V350-N359 HydrophobicContact CG1-CB 3.66Å; V350-N359 WeakPolarHBondContact CG1-ND2 3.45Å; V350-T361 HydrophobicContact CG2-CG2 4.39Å; V350-V381 VanDerWaalsContact O-CA 3.3Å; V350-V381 WeakPolarHBondContact O-CA 3.31Å; V350-S382 PolarHBondContact N-O 2.85Å; V350-S382 PolarHBondContact O-N 3.12Å
351I89.6Confident88.4Confident0 Ų057.1 Ų57.10%033%0.327CS..EExtended strand (participates in β ladder)trans-97.4105.1173.1-58.194.8000107.9A349 V360 Y368 V379 V381A349-I351 VanDerWaalsContact O-CD1 3.29Å; A349-I351 WeakPolarHBondContact O-CD1 3.31Å; I351-V360 HydrophobicContact CB-CG2 3.85Å; I351-V360 HydrophobicContact CD1-CG2 4.22Å; I351-V360 WeakPolarHBondContact CD1-O 3.28Å; I351-V360 HydrophobicContact CG2-CG2 4.36Å; I351-V360 PolarHBondContact N-O 3.14Å; I351-V360 PolarHBondContact O-N 2.87Å; I351-Y368 HydrophobicContact CB-CD2 4.35Å; I351-Y368 HydrophobicContact CD1-CD1 4.43Å; I351-Y368 HydrophobicContact CD1-CD2 3.9Å; I351-Y368 HydrophobicContact CD1-CG 3.73Å; I351-Y368 HydrophobicContact CG1-CD1 4.42Å; I351-Y368 HydrophobicContact CG1-CD2 3.76Å; I351-Y368 HydrophobicContact CG1-CE2 4.15Å; I351-Y368 HydrophobicContact CG1-CG 3.93Å; I351-Y368 HydrophobicContact CG2-CD2 4.18Å; I351-Y368 HydrophobicContact CG2-CE2 3.97Å; I351-V379 HydrophobicContact CG2-CG1 3.68Å; I351-V381 HydrophobicContact CG1-CG2 4.07Å
352H87.5Confident88.5Confident59 Ų5949.1 Ų49.127%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-102.6128.9179.5-179.464.6000110.8H354 I356 N359 V379 T380H352-H354 AromaticContact CD2-CD2 3.89Å; H352-I356 PolarHBondContact CE1-O 3.22Å; H352-N359 WeakPolarHBondContact CA-OD1 3.13Å; H352-N359 WeakPolarHBondContact CB-OD1 3.47Å; H352-N359 PolarHBondContact ND1-OD1 3.49Å; H352-V379 CarbonylContact O-C 3.49Å; H352-V379 WeakPolarHBondContact O-CA 3.33Å; H352-T380 PolarHBondContact N-O 3.41Å; H352-T380 PolarHBondContact O-N 2.82Å
353V85.2Confident88.6Confident0 Ų046.7 Ų46.70%028%0.277CS..EExtended strand (participates in β ladder)trans-102.8118.1173.7-177.50000108.1G355 I356 R370 L372 Y377 V379V353-G355 PolarHBondContact O-N 2.87Å; V353-I356 HydrophobicContact CB-CB 4.45Å; V353-I356 HydrophobicContact CB-CD1 4.23Å; V353-I356 HydrophobicContact CG1-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CG1 4.29Å; V353-I356 PolarHBondContact O-N 2.93Å; V353-R370 HydrophobicContact CG2-CG 3.83Å; V353-L372 HydrophobicContact CG1-CD1 4.43Å; V353-L372 HydrophobicContact CG1-CD2 4.13Å; V353-L372 HydrophobicContact CG2-CD1 4.17Å; V353-L372 HydrophobicContact CG2-CD2 4.18Å; V353-Y377 HydrophobicContact CG1-CD1 3.47Å; V353-Y377 VanDerWaalsContact CG1-CD1 3.47Å; V353-Y377 HydrophobicContact CG1-CE1 4.24Å; V353-Y377 HydrophobicContact CG1-CG 4Å; V353-V379 HydrophobicContact CG2-CG2 4.41Å
354H82.6Confident88.5Confident76 Ų7650.3 Ų50.335%0.35228%0.282SS..THydrogen-bonded Turntrans-59.2133.5-177.7-76.5-123.7000110.5H352 I356 T378 T380H352-H354 AromaticContact CD2-CD2 3.89Å; H354-I356 VanDerWaalsContact C-N 3.33Å; H354-T378 WeakPolarHBondContact CB-O 3.13Å; H354-T378 PolarHBondContact CD2-O 2.84Å; H354-T378 PolarHBondContact N-O 3.32Å; H354-T380 PolarHBondContact NE2-OG1 3.14Å
355G80.6Confident88.4Confident86 Ų8646.8 Ų46.889%0.88727%0.271SS*.THydrogen-bonded Turntrans88-8.1-175.900000114.7V353V353-G355 PolarHBondContact O-N 2.87Å
356I84.3Confident88.3Confident20 Ų2043.9 Ų43.910%0.10325%0.252CS..  trans-115.7119.1175.5-53.1176.8000109.4P232 D233 H352 V353 H354 H358 R370 L372 Y377P232-I356 HydrophobicContact CB-CG2 4.02Å; D233-I356 WeakPolarHBondContact OD1-CG2 3.45Å; H352-I356 PolarHBondContact CE1-O 3.22Å; V353-I356 HydrophobicContact CB-CB 4.45Å; V353-I356 HydrophobicContact CB-CD1 4.23Å; V353-I356 HydrophobicContact CG1-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CG1 4.29Å; V353-I356 PolarHBondContact O-N 2.93Å; H354-I356 VanDerWaalsContact C-N 3.33Å; I356-H358 HydrophobicContact CG2-CB 4.41Å; I356-H358 PolarHBondContact O-N 3.05Å; I356-R370 VanDerWaalsContact CG2-NH2 3.28Å; I356-L372 HydrophobicContact CD1-CD2 3.68Å; I356-Y377 HydrophobicContact CD1-CE1 4.38Å
357S86.4Confident88.5Confident91 Ų9144 Ų4464%0.63625%0.252SS*.SBendtrans-83.341.5-177.651.70000113.2P232P232-S357 WeakPolarHBondContact CB-OG 3.21Å; P232-S357 WeakPolarHBondContact CG-OG 3.35Å
358H83.8Confident88.6Confident23 Ų2339.7 Ų39.711%0.10623%0.232CC..  trans-149.8135.3175.6-17985.5000110P232 D233 Y289 I356 R370P232-H358 HydrophobicContact CB-CB 3.79Å; P232-H358 HydrophobicContact CG-CB 4.09Å; D233-H358 WeakPolarHBondContact OD2-CB 3.33Å; D233-H358 IonicContact OD2-CD2 3.39Å; D233-H358 PolarHBondContact OD2-CD2 2.99Å; D233-H358 VanDerWaalsContact OD2-CD2 3.24Å; D233-H358 IonicContact OD2-CG 3.87Å; Y289-H358 AromaticContact CD2-CE1 3.96Å; Y289-H358 AromaticContact CD2-NE2 3.91Å; Y289-H358 AromaticContact CE2-CD2 3.52Å; Y289-H358 AromaticContact CE2-CE1 3.66Å; Y289-H358 AromaticContact CE2-CG 3.77Å; Y289-H358 AromaticContact CE2-ND1 3.85Å; Y289-H358 AromaticContact CE2-NE2 3.45Å; Y289-H358 WeakPolarHBondContact CE2-NE2 3.49Å; Y289-H358 AromaticContact CZ-CD2 3.78Å; Y289-H358 AromaticContact CZ-CE1 3.86Å; Y289-H358 AromaticContact CZ-CG 3.52Å; Y289-H358 AromaticContact CZ-ND1 3.57Å; Y289-H358 AromaticContact CZ-NE2 3.99Å; Y289-H358 PolarHBondContact O-CE1 3.39Å; Y289-H358 VanDerWaalsContact OH-CB 3.28Å; Y289-H358 WeakPolarHBondContact OH-CB 3.43Å; I356-H358 HydrophobicContact CG2-CB 4.41Å; I356-H358 PolarHBondContact O-N 3.05Å; H358-R370 PolarHBondContact CD2-NH1 2.89Å; H358-R370 PolarHBondContact O-NH2 2.55Å; H358-R370 VanDerWaalsContact O-NH2 3.17Å
359N85.9Confident89.1Confident68 Ų6836.1 Ų36.136%0.36421%0.212SC..  trans-116.3152.7-174.4-60.6-29.9000110.7V350 H352V350-N359 HydrophobicContact CG1-CB 3.66Å; V350-N359 WeakPolarHBondContact CG1-ND2 3.45Å; H352-N359 WeakPolarHBondContact CA-OD1 3.13Å; H352-N359 WeakPolarHBondContact CB-OD1 3.47Å; H352-N359 PolarHBondContact ND1-OD1 3.49Å
360V90.1Very high89.5Confident0 Ų036.1 Ų36.10%021%0.212CC..EExtended strand (participates in β ladder)trans-113.1161.3165.6-59.50000109.6N293 F295 I351 R370N293-V360 HydrophobicContact CB-CB 4.33Å; N293-V360 HydrophobicContact CB-CG1 4.3Å; N293-V360 WeakPolarHBondContact OD1-CA 3.28Å; N293-V360 WeakPolarHBondContact OD1-CB 3.04Å; F295-V360 HydrophobicContact CE2-CG1 4.41Å; I351-V360 HydrophobicContact CB-CG2 3.85Å; I351-V360 HydrophobicContact CD1-CG2 4.22Å; I351-V360 WeakPolarHBondContact CD1-O 3.28Å; I351-V360 HydrophobicContact CG2-CG2 4.36Å; I351-V360 PolarHBondContact N-O 3.14Å; I351-V360 PolarHBondContact O-N 2.87Å; V360-R370 HydrophobicContact CG2-CB 3.89Å; V360-R370 HydrophobicContact CG2-CG 4.27Å
361T88.8Confident90Very high51 Ų5134.1 Ų34.131%0.31320%0.199SC..EExtended strand (participates in β ladder)trans-115.6151.317855.30000113N293 A349 V350N293-T361 PolarHBondContact ND2-O 3.43Å; N293-T361 PolarHBondContact OD1-N 3.27Å; A349-T361 CarbonylContact O-C 3.51Å; A349-T361 VanDerWaalsContact O-CA 3.22Å; A349-T361 WeakPolarHBondContact O-CA 2.92Å; V350-T361 HydrophobicContact CG2-CG2 4.39Å
362S93.6Very high90.4Very high0 Ų034.2 Ų34.20%020%0.2CC..  trans-71.3142.716957.80000111.3V346 D348 A349 D367V346-S362 WeakPolarHBondContact O-CB 2.93Å; V346-S362 PolarHBondContact O-OG 2.96Å; D348-S362 PolarHBondContact N-O 2.99Å; D348-S362 PolarHBondContact N-OG 3.33Å; A349-S362 VanDerWaalsContact CB-OG 3.29Å; A349-S362 WeakPolarHBondContact CB-OG 3.49Å; A349-S362 PolarHBondContact N-OG 3.24Å; A349-S362 PolarHBondContact O-N 3.19Å; S362-D367 CarbonylContact C-O 3.58Å; S362-D367 WeakPolarHBondContact CA-O 3.39Å
363N92.9Very high90.8Very high38 Ų3831.9 Ų31.920%0.20319%0.19CC..  trans-84.3-179.7177.8-169.522000111.4P200 D365 G366 D367P200-N363 HydrophobicContact CB-CB 4.27Å; P200-N363 VanDerWaalsContact CG-ND2 3.29Å; P200-N363 WeakPolarHBondContact CG-ND2 3.21Å; N363-D365 PolarHBondContact O-N 2.81Å; N363-G366 WeakPolarHBondContact O-CA 2.97Å; N363-G366 PolarHBondContact O-N 2.87Å; N363-D367 PolarHBondContact N-O 2.97Å
364K92.5Very high91.3Very high112 Ų11233.2 Ų33.249%0.48720%0.199SC..THydrogen-bonded Turntrans-48.8-34.5-176.170.7-179.5-172.3173.10115.1G366K364-G366 VanDerWaalsContact C-N 3.25Å; K364-G366 PolarHBondContact O-N 3.19Å
365D92.6Very high91.9Very high69 Ų6930.9 Ų30.937%0.36920%0.195SC..THydrogen-bonded Turntrans-928.9-178.3-59.2-46.8000111.6H88 P345 N363 D367H88-D365 IonicContact CD2-OD2 3.04Å; P345-D365 VanDerWaalsContact CB-O 3.31Å; P345-D365 WeakPolarHBondContact CB-O 3.11Å; N363-D365 PolarHBondContact O-N 2.81Å; D365-D367 WeakPolarHBondContact CB-OD1 3.05Å; D365-D367 PolarHBondContact O-N 2.99Å
366G95Very high92.6Very high0 Ų032 Ų320%019%0.185CC..SBendtrans77.6-2.8-175.300000113.4F337 V338 N363 K364F337-G366 CarbonylContact C-O 3.56Å; F337-G366 WeakPolarHBondContact CA-O 3.45Å; V338-G366 PolarHBondContact N-O 3Å; V338-G366 WeakPolarHBondContact O-CA 3.41Å; N363-G366 WeakPolarHBondContact O-CA 2.97Å; N363-G366 PolarHBondContact O-N 2.87Å; K364-G366 VanDerWaalsContact C-N 3.25Å; K364-G366 PolarHBondContact O-N 3.19Å
367D95Very high92.9Very high3 Ų332.6 Ų32.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-70.2144.6-179.160.4-57.5000112.2H88 G336 F337 S362 N363 D365 W369H88-D367 IonicContact CD2-OD2 3.06Å; H88-D367 IonicContact CE1-OD2 2.71Å; H88-D367 PolarHBondContact CE1-OD2 3.03Å; H88-D367 IonicContact NE2-OD1 3.76Å; H88-D367 IonicContact NE2-OD2 3.58Å; H88-D367 PolarHBondContact NE2-OD2 2.79Å; G336-D367 CarbonylContact O-C 3.55Å; G336-D367 VanDerWaalsContact O-CA 3.31Å; G336-D367 WeakPolarHBondContact O-CA 3.4Å; F337-D367 HydrophobicContact CD1-CB 3.92Å; F337-D367 HydrophobicContact CE1-CB 3.69Å; F337-D367 HydrophobicContact CZ-CB 4.33Å; S362-D367 CarbonylContact C-O 3.58Å; S362-D367 WeakPolarHBondContact CA-O 3.39Å; N363-D367 PolarHBondContact N-O 2.97Å; D365-D367 WeakPolarHBondContact CB-OD1 3.05Å; D365-D367 PolarHBondContact O-N 2.99Å; D367-W369 HydrophobicContact CB-CH2 3.87Å; D367-W369 HydrophobicContact CB-CZ3 3.75Å; D367-W369 VanDerWaalsContact OD2-CZ3 3.26Å; D367-W369 WeakPolarHBondContact OD2-CZ3 3.26Å
368Y95.4Very high93.1Very high2 Ų230.5 Ų30.51%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-148.4154.3177.880.8-82.7000111.6I334 Y335 G336 V338 I351 R370 V403 F405I334-Y368 HydrophobicContact CD1-CE2 4.05Å; I334-Y368 HydrophobicContact CG1-CE2 4.01Å; Y335-Y368 VanDerWaalsContact CA-O 3.27Å; Y335-Y368 WeakPolarHBondContact CA-O 3.25Å; G336-Y368 PolarHBondContact N-O 3.5Å; G336-Y368 VanDerWaalsContact N-O 3.13Å; G336-Y368 VanDerWaalsContact O-CD1 3.24Å; G336-Y368 WeakPolarHBondContact O-CD1 3.37Å; G336-Y368 PolarHBondContact O-N 3.31Å; V338-Y368 HydrophobicContact CG2-CD1 3.96Å; V338-Y368 HydrophobicContact CG2-CE1 4.38Å; I351-Y368 HydrophobicContact CB-CD2 4.35Å; I351-Y368 HydrophobicContact CD1-CD1 4.43Å; I351-Y368 HydrophobicContact CD1-CD2 3.9Å; I351-Y368 HydrophobicContact CD1-CG 3.73Å; I351-Y368 HydrophobicContact CG1-CD1 4.42Å; I351-Y368 HydrophobicContact CG1-CD2 3.76Å; I351-Y368 HydrophobicContact CG1-CE2 4.15Å; I351-Y368 HydrophobicContact CG1-CG 3.93Å; I351-Y368 HydrophobicContact CG2-CD2 4.18Å; I351-Y368 HydrophobicContact CG2-CE2 3.97Å; Y368-R370 HydrophobicContact CE2-CB 4.45Å; Y368-V403 WeakPolarHBondContact CE1-O 3.36Å; Y368-V403 PolarHBondContact OH-O 3.48Å; Y368-F405 HydrophobicContact CE1-CD2 4Å; Y368-F405 HydrophobicContact CE1-CE2 4.24Å; Y368-F405 AromaticContact CZ-CE2 3.88Å; Y368-F405 VanDerWaalsContact OH-CE2 3.3Å; Y368-F405 WeakPolarHBondContact OH-CE2 3.34Å
369W96Very high93.2Very high17 Ų1729.4 Ų29.46%0.06416%0.164CC..EExtended strand (participates in β ladder)trans-130.1138.1168.8-76.5-101.9000109.2P90 V202 Y335 D367P90-W369 VanDerWaalsContact CA-CZ2 3.48Å; P90-W369 HydrophobicContact CB-CH2 3.31Å; P90-W369 HydrophobicContact CB-CZ2 3.29Å; P90-W369 HydrophobicContact CB-CZ3 4.46Å; P90-W369 HydrophobicContact CG-CH2 3.93Å; P90-W369 HydrophobicContact CG-CZ2 4.31Å; V202-W369 HydrophobicContact CB-CB 4.16Å; V202-W369 HydrophobicContact CB-CG 4.48Å; V202-W369 HydrophobicContact CG1-CB 3.52Å; V202-W369 HydrophobicContact CG1-CG 4.06Å; V202-W369 HydrophobicContact CG2-CB 3.51Å; V202-W369 HydrophobicContact CG2-CD2 3.92Å; V202-W369 HydrophobicContact CG2-CE3 4.13Å; V202-W369 HydrophobicContact CG2-CG 3.6Å; Y335-W369 HydrophobicContact CD2-CZ2 4.03Å; Y335-W369 HydrophobicContact CG-CZ2 4.5Å; Y335-W369 AromaticContact CG-NE1 3.95Å; D367-W369 HydrophobicContact CB-CH2 3.87Å; D367-W369 HydrophobicContact CB-CZ3 3.75Å; D367-W369 VanDerWaalsContact OD2-CZ3 3.26Å; D367-W369 WeakPolarHBondContact OD2-CZ3 3.26Å
370R95.9Very high93.2Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-134.1100.9173.9178.657.1178163.12.9107.9D233 G333 I334 V353 I356 H358 V360 Y368 L372D233-R370 VanDerWaalsContact CG-NH2 3.26Å; D233-R370 IonicContact OD1-CZ 3.54Å; D233-R370 IonicContact OD1-NH1 3.28Å; D233-R370 PolarHBondContact OD1-NH1 3.09Å; D233-R370 IonicContact OD1-NH2 2.81Å; D233-R370 PolarHBondContact OD1-NH2 2.88Å; D233-R370 IonicContact OD2-CZ 3.53Å; D233-R370 IonicContact OD2-NH1 3.08Å; D233-R370 PolarHBondContact OD2-NH1 3.47Å; D233-R370 IonicContact OD2-NH2 3.78Å; D233-R370 PolarHBondContact OD2-NH2 3.28Å; D233-R370 VanDerWaalsContact OD2-NH2 3.09Å; G333-R370 WeakPolarHBondContact CA-O 3.37Å; I334-R370 HydrophobicContact CD1-CB 4.21Å; I334-R370 HydrophobicContact CG1-CB 3.7Å; I334-R370 HydrophobicContact CG1-CG 4.32Å; I334-R370 PolarHBondContact N-O 3.03Å; I334-R370 PolarHBondContact O-N 2.75Å; V353-R370 HydrophobicContact CG2-CG 3.83Å; I356-R370 VanDerWaalsContact CG2-NH2 3.28Å; H358-R370 PolarHBondContact CD2-NH1 2.89Å; H358-R370 PolarHBondContact O-NH2 2.55Å; H358-R370 VanDerWaalsContact O-NH2 3.17Å; V360-R370 HydrophobicContact CG2-CB 3.89Å; V360-R370 HydrophobicContact CG2-CG 4.27Å; Y368-R370 HydrophobicContact CE2-CB 4.45Å; R370-L372 HydrophobicContact CG-CD1 4.25Å; R370-L372 HydrophobicContact CG-CD2 4.31Å; R370-L372 HydrophobicContact CG-CG 4.06Å; R370-L372 PolarHBondContact O-N 3.25Å
371L97.3Very high93Very high1 Ų126.8 Ų26.81%0.00515%0.151CC..  trans-61130.6173.5-62.5-176.7000109V202 L203 V236 L240 F295 R332V202-L371 HydrophobicContact CG1-CD1 4.3Å; V202-L371 HydrophobicContact CG1-CD2 3.86Å; V202-L371 HydrophobicContact CG1-CG 3.86Å; L203-L371 HydrophobicContact CB-CD1 4.38Å; L203-L371 HydrophobicContact CD1-CD1 4.27Å; V236-L371 HydrophobicContact CG1-CB 3.76Å; V236-L371 HydrophobicContact CG1-CD1 4.35Å; L240-L371 HydrophobicContact CD1-CD1 4.35Å; F295-L371 HydrophobicContact CB-CD1 3.95Å; F295-L371 HydrophobicContact CD1-CD1 4.36Å; F295-L371 HydrophobicContact CD2-CD1 4.04Å; F295-L371 HydrophobicContact CD2-CG 4.38Å; F295-L371 HydrophobicContact CE1-CB 4.24Å; F295-L371 HydrophobicContact CE2-CB 4.24Å; F295-L371 HydrophobicContact CE2-CG 4.47Å; F295-L371 HydrophobicContact CG-CD1 3.9Å; F295-L371 HydrophobicContact CZ-CB 4.04Å; R332-L371 HydrophobicContact CB-CD2 4.36Å; R332-L371 WeakPolarHBondContact O-CD2 3.29Å
372L97.2Very high92.6Very high2 Ų226.1 Ų26.11%0.0115%0.148CC..  trans-145.6148.1178.7-66.8171.2000108.2I334 V353 I356 R370 Y377 V395I334-L372 HydrophobicContact CD1-CD1 4.31Å; I334-L372 HydrophobicContact CG1-CD1 4.23Å; I334-L372 HydrophobicContact CG2-CD1 4.28Å; V353-L372 HydrophobicContact CG1-CD1 4.43Å; V353-L372 HydrophobicContact CG1-CD2 4.13Å; V353-L372 HydrophobicContact CG2-CD1 4.17Å; V353-L372 HydrophobicContact CG2-CD2 4.18Å; I356-L372 HydrophobicContact CD1-CD2 3.68Å; R370-L372 HydrophobicContact CG-CD1 4.25Å; R370-L372 HydrophobicContact CG-CD2 4.31Å; R370-L372 HydrophobicContact CG-CG 4.06Å; R370-L372 PolarHBondContact O-N 3.25Å; L372-Y377 HydrophobicContact CB-CE2 4.09Å; L372-Y377 HydrophobicContact CD1-CD2 3.98Å; L372-Y377 HydrophobicContact CD1-CE2 4.15Å; L372-Y377 HydrophobicContact CD1-CG 4.18Å; L372-Y377 HydrophobicContact CD2-CE1 4.25Å; L372-V395 HydrophobicContact CB-CG1 4.41Å; L372-V395 HydrophobicContact CB-CG2 4.23Å; L372-V395 HydrophobicContact CD1-CG2 4.05Å
373V96.2Very high92Very high10 Ų1027.7 Ų27.76%0.06116%0.155CC..  trans-75157.8168.7-58.80000110.4W18 S235 V236 M239 G375 Y377W18-V373 HydrophobicContact CH2-CB 3.39Å; W18-V373 HydrophobicContact CH2-CG1 3.42Å; W18-V373 VanDerWaalsContact CH2-CG1 3.42Å; W18-V373 HydrophobicContact CH2-CG2 3.76Å; W18-V373 HydrophobicContact CZ2-CB 3.52Å; W18-V373 HydrophobicContact CZ2-CG1 4.1Å; W18-V373 HydrophobicContact CZ2-CG2 3.76Å; W18-V373 HydrophobicContact CZ3-CB 4.14Å; W18-V373 HydrophobicContact CZ3-CG1 3.82Å; S235-V373 VanDerWaalsContact C-CG1 3.48Å; S235-V373 WeakPolarHBondContact O-CG1 3.28Å; V236-V373 HydrophobicContact CG2-CG1 4.08Å; M239-V373 HydrophobicContact CB-CG1 4.16Å; M239-V373 HydrophobicContact CE-CG1 4.22Å; M239-V373 HydrophobicContact SD-CG1 3.97Å; V373-G375 PolarHBondContact O-N 2.8Å; V373-Y377 VanDerWaalsContact CG2-OH 3.22Å; V373-Y377 WeakPolarHBondContact CG2-OH 3.23Å; V373-Y377 VanDerWaalsContact O-CE2 3.32Å; V373-Y377 WeakPolarHBondContact O-CE2 3.37Å; V373-Y377 PolarHBondContact O-OH 2.95Å
374P95.5Very high91.2Very high29 Ų2929.7 Ų29.719%0.18817%0.171CC..SBendtrans-53.3133.8177.8-26.836.2000112.2V395 D397P374-V395 WeakPolarHBondContact CA-O 3.42Å; P374-D397 HydrophobicContact CB-CB 4.49Å; P374-D397 HydrophobicContact CG-CB 3.89Å
375G95Very high90.5Very high27 Ų2729.2 Ų29.228%0.27817%0.173SC..EExtended strand (participates in β ladder)trans162.5178.4-174.300000113.5V373 V395V373-G375 PolarHBondContact O-N 2.8Å; G375-V395 PolarHBondContact N-O 2.92Å; G375-V395 PolarHBondContact O-N 3.49Å
376T95.8Very high89.8Confident108 Ų10827.5 Ų27.566%0.66316%0.162SC*.EExtended strand (participates in β ladder)trans-108127.7175.3-58.30000109.2V393T376-V393 WeakPolarHBondContact CA-O 3.45Å
377Y90.8Very high88.9Confident33 Ų3328.5 Ų28.513%0.12917%0.169CC..EExtended strand (participates in β ladder)trans-128.8148.9-175.1-60.2-88.3000111.3V353 I356 L372 V373 N392 V393 V395V353-Y377 HydrophobicContact CG1-CD1 3.47Å; V353-Y377 VanDerWaalsContact CG1-CD1 3.47Å; V353-Y377 HydrophobicContact CG1-CE1 4.24Å; V353-Y377 HydrophobicContact CG1-CG 4Å; I356-Y377 HydrophobicContact CD1-CE1 4.38Å; L372-Y377 HydrophobicContact CB-CE2 4.09Å; L372-Y377 HydrophobicContact CD1-CD2 3.98Å; L372-Y377 HydrophobicContact CD1-CE2 4.15Å; L372-Y377 HydrophobicContact CD1-CG 4.18Å; L372-Y377 HydrophobicContact CD2-CE1 4.25Å; V373-Y377 VanDerWaalsContact CG2-OH 3.22Å; V373-Y377 WeakPolarHBondContact CG2-OH 3.23Å; V373-Y377 VanDerWaalsContact O-CE2 3.32Å; V373-Y377 WeakPolarHBondContact O-CE2 3.37Å; V373-Y377 PolarHBondContact O-OH 2.95Å; Y377-N392 CarbonylContact O-C 3.45Å; Y377-N392 WeakPolarHBondContact O-CA 3.14Å; Y377-V393 PolarHBondContact N-O 2.82Å; Y377-V393 PolarHBondContact O-N 2.96Å; Y377-V395 HydrophobicContact CD2-CB 4.37Å; Y377-V395 HydrophobicContact CD2-CG2 3.74Å; Y377-V395 HydrophobicContact CE2-CB 4.1Å; Y377-V395 HydrophobicContact CE2-CG2 3.85Å
378T90.7Very high88Confident47 Ų4729.9 Ų29.929%0.28818%0.178SC..EExtended strand (participates in β ladder)trans-96.5122.1161.9-57.20000108H354 W390 N392H354-T378 WeakPolarHBondContact CB-O 3.13Å; H354-T378 PolarHBondContact CD2-O 2.84Å; H354-T378 PolarHBondContact N-O 3.32Å; T378-W390 HydrophobicContact CG2-CE3 4.14Å; T378-N392 PolarHBondContact OG1-OD1 3.03Å
379V85.8Confident87.3Confident0 Ų031.5 Ų31.50%019%0.188CC..EExtended strand (participates in β ladder)trans-115.8125.6-176.5-174.90000108.5I334 I351 H352 V353 W390 K391 V393 F405I334-V379 HydrophobicContact CD1-CG1 4.05Å; I334-V379 HydrophobicContact CD1-CG2 3.88Å; I351-V379 HydrophobicContact CG2-CG1 3.68Å; H352-V379 CarbonylContact O-C 3.49Å; H352-V379 WeakPolarHBondContact O-CA 3.33Å; V353-V379 HydrophobicContact CG2-CG2 4.41Å; V379-W390 CarbonylContact O-C 3.59Å; V379-W390 WeakPolarHBondContact O-CA 3.49Å; V379-W390 WeakPolarHBondContact O-CB 3.31Å; V379-K391 PolarHBondContact N-O 2.86Å; V379-K391 PolarHBondContact O-N 3.32Å; V379-V393 HydrophobicContact CB-CG2 4.47Å; V379-V393 HydrophobicContact CG2-CB 4.39Å; V379-V393 HydrophobicContact CG2-CG2 3.98Å; V379-F405 HydrophobicContact CB-CZ 4.05Å; V379-F405 HydrophobicContact CG1-CE2 4.24Å; V379-F405 HydrophobicContact CG1-CZ 3.73Å
380T85.8Confident86.9Confident13 Ų1337.5 Ų37.58%0.0821%0.211CC..EExtended strand (participates in β ladder)trans-111.1134.4176.1-60.30000109.7H352 H354 T389H352-T380 PolarHBondContact N-O 3.41Å; H352-T380 PolarHBondContact O-N 2.82Å; H354-T380 PolarHBondContact NE2-OG1 3.14Å; T380-T389 CarbonylContact C-O 3.54Å; T380-T389 WeakPolarHBondContact CA-O 3.43Å
381V84.5Confident86.5Confident0 Ų041.2 Ų41.20%023%0.227CC..EExtended strand (participates in β ladder)trans-112.8127.9172.4-177.90000109V338 A349 V350 I351 S388 T389 F405 L407V338-V381 HydrophobicContact CG1-CG1 3.76Å; V338-V381 HydrophobicContact CG2-CG1 4.01Å; A349-V381 HydrophobicContact CB-CG1 3.89Å; V350-V381 VanDerWaalsContact O-CA 3.3Å; V350-V381 WeakPolarHBondContact O-CA 3.31Å; I351-V381 HydrophobicContact CG1-CG2 4.07Å; V381-S388 VanDerWaalsContact O-CA 3.27Å; V381-S388 WeakPolarHBondContact O-CA 3.48Å; V381-T389 HydrophobicContact CB-CG2 4.3Å; V381-T389 PolarHBondContact N-O 3.46Å; V381-T389 PolarHBondContact O-N 3.3Å; V381-F405 HydrophobicContact CB-CB 4.39Å; V381-F405 HydrophobicContact CB-CD1 4.27Å; V381-F405 HydrophobicContact CB-CG 4.18Å; V381-F405 HydrophobicContact CG2-CB 4.08Å; V381-F405 HydrophobicContact CG2-CD1 3.66Å; V381-F405 HydrophobicContact CG2-CD2 3.43Å; V381-F405 VanDerWaalsContact CG2-CD2 3.43Å; V381-F405 HydrophobicContact CG2-CE1 3.8Å; V381-F405 HydrophobicContact CG2-CE2 3.57Å; V381-F405 HydrophobicContact CG2-CG 3.45Å; V381-F405 VanDerWaalsContact CG2-CG 3.45Å; V381-F405 HydrophobicContact CG2-CZ 3.76Å; V381-L407 HydrophobicContact CB-CD2 4.31Å; V381-L407 HydrophobicContact CG1-CD1 4.26Å; V381-L407 HydrophobicContact CG1-CD2 4.04Å
382S81.5Confident86.3Confident37 Ų3746.1 Ų46.126%0.25925%0.254SS..EExtended strand (participates in β ladder)trans-132.1149.4-179.264.70000111.2A349 V350 S388A349-S382 CarbonylContact C-O 3.55Å; A349-S382 WeakPolarHBondContact CA-O 3.32Å; V350-S382 PolarHBondContact N-O 2.85Å; V350-S382 PolarHBondContact O-N 3.12Å; S382-S388 WeakPolarHBondContact CB-OG 3.36Å
383H80.8Confident86.1Confident33 Ų3346.5 Ų46.515%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-155.2139.2175.3179.5-83.7000108.6V346 Q347 A349 L385 Y386 L407V346-H383 HydrophobicContact CG1-CB 4.2Å; Q347-H383 PolarHBondContact O-CD2 3.41Å; Q347-H383 VanDerWaalsContact O-CD2 3.3Å; Q347-H383 PolarHBondContact O-NE2 3.25Å; A349-H383 HydrophobicContact CB-CB 4.2Å; H383-L385 PolarHBondContact ND1-N 3.43Å; H383-L385 PolarHBondContact O-N 3.3Å; H383-Y386 HydrophobicContact CB-CD2 3.94Å; H383-Y386 AromaticContact CE1-CE2 3.98Å; H383-Y386 AromaticContact CG-CD2 3.79Å; H383-Y386 AromaticContact ND1-CD2 3.27Å; H383-Y386 VanDerWaalsContact ND1-CD2 3.27Å; H383-Y386 WeakPolarHBondContact ND1-CD2 3.44Å; H383-Y386 AromaticContact ND1-CE2 3.57Å; H383-Y386 PolarHBondContact O-N 3.02Å; H383-L407 HydrophobicContact CB-CD1 3.96Å
384P75.4Confident86.1Confident81 Ų8150.5 Ų50.553%0.52628%0.276SS..THydrogen-bonded Turntrans-55.8-26.1-171.7-28.735.4000116
385L78Confident86.1Confident102 Ų10249.2 Ų49.253%0.53427%0.268SS..THydrogen-bonded Turntrans-92.2-8.1-178.5-56.4-178000114.7H383 W410H383-L385 PolarHBondContact ND1-N 3.43Å; H383-L385 PolarHBondContact O-N 3.3Å; L385-W410 VanDerWaalsContact C-CD1 3.49Å; L385-W410 PolarHBondContact O-N 2.66Å
386Y77.3Confident86Confident33 Ų3355.4 Ų55.413%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-130.2158.3-173.7-56.8-87.4000112.3V346 H383 L407 T408 D409 W410V346-Y386 HydrophobicContact CB-CE2 4.36Å; V346-Y386 HydrophobicContact CG1-CD2 4.03Å; V346-Y386 HydrophobicContact CG1-CE2 3.65Å; V346-Y386 HydrophobicContact CG2-CD2 4.35Å; V346-Y386 HydrophobicContact CG2-CE2 3.73Å; H383-Y386 HydrophobicContact CB-CD2 3.94Å; H383-Y386 AromaticContact CE1-CE2 3.98Å; H383-Y386 AromaticContact CG-CD2 3.79Å; H383-Y386 AromaticContact ND1-CD2 3.27Å; H383-Y386 VanDerWaalsContact ND1-CD2 3.27Å; H383-Y386 WeakPolarHBondContact ND1-CD2 3.44Å; H383-Y386 AromaticContact ND1-CE2 3.57Å; H383-Y386 PolarHBondContact O-N 3.02Å; Y386-L407 HydrophobicContact CD1-CB 3.95Å; Y386-L407 HydrophobicContact CD2-CB 4.38Å; Y386-L407 HydrophobicContact CD2-CD1 4.08Å; Y386-L407 HydrophobicContact CG-CB 3.74Å; Y386-L407 HydrophobicContact CG-CD1 4.17Å; Y386-T408 CarbonylContact C-O 3.52Å; Y386-T408 VanDerWaalsContact CA-O 3.29Å; Y386-T408 WeakPolarHBondContact CA-O 3.36Å; Y386-T408 WeakPolarHBondContact CB-O 3.41Å; Y386-D409 HydrophobicContact CD1-CB 4.32Å; Y386-D409 HydrophobicContact CE1-CB 4.42Å; Y386-W410 VanDerWaalsContact C-NE1 3.28Å; Y386-W410 PolarHBondContact O-NE1 3.16Å
387S76.1Confident85.5Confident21 Ų2152.7 Ų52.715%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-67.6133166.574.90000110.8T408 W410S387-T408 PolarHBondContact N-O 3.34Å; S387-T408 WeakPolarHBondContact OG-CB 3.37Å; S387-T408 PolarHBondContact OG-O 2.87Å; S387-W410 VanDerWaalsContact CB-CH2 3.43Å
388S78Confident85.1Confident31 Ų3156.3 Ų56.322%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-62.4151.5176.5-56.50000110.9V381 S382V381-S388 VanDerWaalsContact O-CA 3.27Å; V381-S388 WeakPolarHBondContact O-CA 3.48Å; S382-S388 WeakPolarHBondContact CB-OG 3.36Å
389T80.1Confident84.8Confident36 Ų3656.6 Ų56.622%0.22129%0.286CS..EExtended strand (participates in β ladder)trans-135.5159.6174.2-169.20000109.4T380 V381 F405 L407T380-T389 CarbonylContact C-O 3.54Å; T380-T389 WeakPolarHBondContact CA-O 3.43Å; V381-T389 HydrophobicContact CB-CG2 4.3Å; V381-T389 PolarHBondContact N-O 3.46Å; V381-T389 PolarHBondContact O-N 3.3Å; T389-F405 HydrophobicContact CG2-CB 4.28Å; T389-F405 HydrophobicContact CG2-CD1 3.74Å; T389-F405 HydrophobicContact CG2-CG 4.46Å; T389-L407 HydrophobicContact CG2-CD2 3.49Å; T389-L407 VanDerWaalsContact CG2-CD2 3.49Å
390W87.2Confident85Confident143 Ų14357.8 Ų57.854%0.54230%0.296SS..EExtended strand (participates in β ladder)trans-142.8157.9178.962.5-90.8000111.7T378 V379T378-W390 HydrophobicContact CG2-CE3 4.14Å; V379-W390 CarbonylContact O-C 3.59Å; V379-W390 WeakPolarHBondContact O-CA 3.49Å; V379-W390 WeakPolarHBondContact O-CB 3.31Å
391K86.5Confident85.4Confident79 Ų7958 Ų5834%0.34330%0.298SS..EExtended strand (participates in β ladder)trans-143.2146175.5-67.6-175.4177.1-173.30110.3V379 V393 V403 D404 F405V379-K391 PolarHBondContact N-O 2.86Å; V379-K391 PolarHBondContact O-N 3.32Å; K391-V393 HydrophobicContact CB-CG2 4.22Å; K391-V403 HydrophobicContact CD-CG1 3.82Å; K391-D404 PolarHBondContact NZ-O 2.86Å; K391-F405 HydrophobicContact CB-CE1 3.95Å; K391-F405 HydrophobicContact CB-CZ 4.4Å; K391-F405 HydrophobicContact CD-CD1 4.13Å; K391-F405 HydrophobicContact CD-CE1 3.82Å; K391-F405 HydrophobicContact CD-CZ 4.43Å; K391-F405 HydrophobicContact CG-CD1 4.26Å; K391-F405 HydrophobicContact CG-CE1 3.71Å
392N93.2Very high85.9Confident104 Ų10465.1 Ų65.156%0.55633%0.325SS*.EExtended strand (participates in β ladder)trans-83.2130.2161.2-68.3-28.8000108.6Y377 T378Y377-N392 CarbonylContact O-C 3.45Å; Y377-N392 WeakPolarHBondContact O-CA 3.14Å; T378-N392 PolarHBondContact OG1-OD1 3.03Å
393V94.5Very high86.6Confident10 Ų1064 Ų646%0.06132%0.317CS..EExtended strand (participates in β ladder)trans-128133.7-174.8-176.10000109.6I334 T376 Y377 V379 K391 V403I334-V393 HydrophobicContact CG2-CG1 3.64Å; T376-V393 WeakPolarHBondContact CA-O 3.45Å; Y377-V393 PolarHBondContact N-O 2.82Å; Y377-V393 PolarHBondContact O-N 2.96Å; V379-V393 HydrophobicContact CB-CG2 4.47Å; V379-V393 HydrophobicContact CG2-CB 4.39Å; V379-V393 HydrophobicContact CG2-CG2 3.98Å; K391-V393 HydrophobicContact CB-CG2 4.22Å; V393-V403 HydrophobicContact CB-CG2 4.42Å; V393-V403 HydrophobicContact CG1-CG2 3.62Å; V393-V403 HydrophobicContact CG2-CG1 3.96Å; V393-V403 HydrophobicContact CG2-CG2 3.88Å
394L96Very high87.4Confident93 Ų9363.8 Ų63.849%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-95.3118.1168.3176.865.3000109.1S401L394-S401 PolarHBondContact O-OG 3.18Å
395V95.5Very high88.3Confident3 Ų359.9 Ų59.92%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-94.7119.3171.7179.70000108.4I334 L372 P374 G375 Y377I334-V395 HydrophobicContact CG2-CG2 3.61Å; L372-V395 HydrophobicContact CB-CG1 4.41Å; L372-V395 HydrophobicContact CB-CG2 4.23Å; L372-V395 HydrophobicContact CD1-CG2 4.05Å; P374-V395 WeakPolarHBondContact CA-O 3.42Å; G375-V395 PolarHBondContact N-O 2.92Å; G375-V395 PolarHBondContact O-N 3.49Å; Y377-V395 HydrophobicContact CD2-CB 4.37Å; Y377-V395 HydrophobicContact CD2-CG2 3.74Å; Y377-V395 HydrophobicContact CE2-CB 4.1Å; Y377-V395 HydrophobicContact CE2-CG2 3.85Å
396R91.7Very high89.1Confident157 Ų15759.5 Ų59.559%0.59228%0.283SS*.PPolyproline II helixtrans-88.7162.9177.6-63.8-171.7179.4106-1.5111.2
397D86.8Confident89.5Confident51 Ų5158 Ų5827%0.27328%0.278SS..THydrogen-bonded Turntrans-71.5150.1170.3-157.35.4000111.1R332 P374 S399R332-D397 IonicContact CZ-OD1 3.09Å; R332-D397 IonicContact NH1-OD1 3.18Å; R332-D397 PolarHBondContact NH1-OD1 3.04Å; R332-D397 IonicContact NH2-OD1 2.85Å; P374-D397 HydrophobicContact CB-CB 4.49Å; P374-D397 HydrophobicContact CG-CB 3.89Å; D397-S399 PolarHBondContact O-N 2.95Å; D397-S399 PolarHBondContact O-OG 3.44Å
398H81.1Confident89.8Confident109 Ų10958.9 Ų58.951%0.50528%0.282SS..THydrogen-bonded Turntrans51.715178.1-49.292.1000116.9R19 R332R19-H398 PolarHBondContact O-CE1 2.86Å; R19-H398 PolarHBondContact O-NE2 3.23Å; R332-H398 PolarHBondContact NH2-CD2 3.29Å
399S85.7Confident89.7Confident52 Ų5260.3 Ų60.336%0.36429%0.287SS..SBendtrans-152137.8177.753.80000112.4H331 D397H331-S399 CarbonylContact O-C 3.14Å; D397-S399 PolarHBondContact O-N 2.95Å; D397-S399 PolarHBondContact O-OG 3.44Å
400A89.4Confident89.1Confident25 Ų2560 Ų6021%0.20728%0.282CS..PPolyproline II helixtrans-79139.7172.500000110.8H331 G333 Y335H331-A400 WeakPolarHBondContact O-CB 3.36Å; H331-A400 PolarHBondContact O-N 3.45Å; G333-A400 CarbonylContact O-C 3.49Å; G333-A400 VanDerWaalsContact O-CA 3.31Å; G333-A400 WeakPolarHBondContact O-CA 3.5Å; Y335-A400 HydrophobicContact CD1-CB 3.61Å; Y335-A400 HydrophobicContact CE1-CB 4.01Å
401S93.5Very high88Confident18 Ų1860.5 Ų60.513%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-94.2125.8176.6-63.20000110.7G333 I334 Y335 L394 V403G333-S401 PolarHBondContact O-N 3.28Å; I334-S401 VanDerWaalsContact CA-O 3.31Å; I334-S401 WeakPolarHBondContact CA-O 3.08Å; Y335-S401 PolarHBondContact N-O 3.04Å; Y335-S401 VanDerWaalsContact N-O 3.08Å; L394-S401 PolarHBondContact O-OG 3.18Å; S401-V403 PolarHBondContact O-N 2.87Å
402R94.9Very high86.9Confident149 Ų14960.4 Ų60.456%0.56230%0.304SS*.EExtended strand (participates in β ladder)trans-74.3122.6175.4-173.3173.4169176.3-5.8110.8Y335 D404Y335-R402 HydrophobicContact CD1-CB 4.43Å; Y335-R402 HydrophobicContact CE1-CB 3.79Å; Y335-R402 HydrophobicContact CE2-CB 4.28Å; Y335-R402 HydrophobicContact CE2-CG 4.19Å; Y335-R402 CarbonylContact O-C 3.47Å; Y335-R402 VanDerWaalsContact O-CA 3.23Å; Y335-R402 WeakPolarHBondContact O-CA 2.91Å; R402-D404 IonicContact CZ-OD2 3.63Å; R402-D404 IonicContact NE-OD1 3.08Å; R402-D404 PolarHBondContact NE-OD1 3.35Å; R402-D404 IonicContact NE-OD2 3.92Å; R402-D404 PolarHBondContact NE-OD2 2.99Å; R402-D404 IonicContact NH2-OD1 3.74Å; R402-D404 IonicContact NH2-OD2 3.21Å; R402-D404 PolarHBondContact NH2-OD2 3.38Å
403V96.5Very high85Confident14 Ų1457.3 Ų57.39%0.08529%0.289CS..  trans-135.499179.4-173.40000109.9I334 Y335 Y368 K391 V393 S401 F405I334-V403 HydrophobicContact CB-CG2 4.43Å; I334-V403 HydrophobicContact CG2-CG2 4.4Å; Y335-V403 PolarHBondContact O-N 3.36Å; Y368-V403 WeakPolarHBondContact CE1-O 3.36Å; Y368-V403 PolarHBondContact OH-O 3.48Å; K391-V403 HydrophobicContact CD-CG1 3.82Å; V393-V403 HydrophobicContact CB-CG2 4.42Å; V393-V403 HydrophobicContact CG1-CG2 3.62Å; V393-V403 HydrophobicContact CG2-CG1 3.96Å; V393-V403 HydrophobicContact CG2-CG2 3.88Å; S401-V403 PolarHBondContact O-N 2.87Å; V403-F405 HydrophobicContact CB-CE2 4.37Å; V403-F405 HydrophobicContact CG1-CD2 4.33Å; V403-F405 HydrophobicContact CG1-CE1 4.34Å; V403-F405 HydrophobicContact CG1-CE2 3.67Å; V403-F405 HydrophobicContact CG1-CZ 3.67Å
404D97.4Very high82.6Confident28 Ų2866.5 Ų66.515%0.1533%0.332CS..  trans-86.1140.8176-63.9-27.7000110.6G336 F337 K391 R402 Y406G336-D404 WeakPolarHBondContact CA-OD1 3.45Å; F337-D404 PolarHBondContact N-OD1 2.92Å; F337-D404 CarbonylContact O-C 3.59Å; F337-D404 WeakPolarHBondContact O-CA 3.43Å; K391-D404 PolarHBondContact NZ-O 2.86Å; R402-D404 IonicContact CZ-OD2 3.63Å; R402-D404 IonicContact NE-OD1 3.08Å; R402-D404 PolarHBondContact NE-OD1 3.35Å; R402-D404 IonicContact NE-OD2 3.92Å; R402-D404 PolarHBondContact NE-OD2 2.99Å; R402-D404 IonicContact NH2-OD1 3.74Å; R402-D404 IonicContact NH2-OD2 3.21Å; R402-D404 PolarHBondContact NH2-OD2 3.38Å; D404-Y406 HydrophobicContact CB-CE2 4.17Å
405F95.2Very high80.2Confident0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-116.4140.7178.4-68.4-84.4000111.2F337 V338 R339 Y368 V379 V381 T389 K391 V403F337-F405 PolarHBondContact O-N 3.47Å; V338-F405 WeakPolarHBondContact CA-O 3.49Å; V338-F405 HydrophobicContact CG1-CB 4.42Å; V338-F405 HydrophobicContact CG2-CB 4.44Å; R339-F405 PolarHBondContact N-O 3.33Å; Y368-F405 HydrophobicContact CE1-CD2 4Å; Y368-F405 HydrophobicContact CE1-CE2 4.24Å; Y368-F405 AromaticContact CZ-CE2 3.88Å; Y368-F405 VanDerWaalsContact OH-CE2 3.3Å; Y368-F405 WeakPolarHBondContact OH-CE2 3.34Å; V379-F405 HydrophobicContact CB-CZ 4.05Å; V379-F405 HydrophobicContact CG1-CE2 4.24Å; V379-F405 HydrophobicContact CG1-CZ 3.73Å; V381-F405 HydrophobicContact CB-CB 4.39Å; V381-F405 HydrophobicContact CB-CD1 4.27Å; V381-F405 HydrophobicContact CB-CG 4.18Å; V381-F405 HydrophobicContact CG2-CB 4.08Å; V381-F405 HydrophobicContact CG2-CD1 3.66Å; V381-F405 HydrophobicContact CG2-CD2 3.43Å; V381-F405 VanDerWaalsContact CG2-CD2 3.43Å; V381-F405 HydrophobicContact CG2-CE1 3.8Å; V381-F405 HydrophobicContact CG2-CE2 3.57Å; V381-F405 HydrophobicContact CG2-CG 3.45Å; V381-F405 VanDerWaalsContact CG2-CG 3.45Å; V381-F405 HydrophobicContact CG2-CZ 3.76Å; T389-F405 HydrophobicContact CG2-CB 4.28Å; T389-F405 HydrophobicContact CG2-CD1 3.74Å; T389-F405 HydrophobicContact CG2-CG 4.46Å; K391-F405 HydrophobicContact CB-CE1 3.95Å; K391-F405 HydrophobicContact CB-CZ 4.4Å; K391-F405 HydrophobicContact CD-CD1 4.13Å; K391-F405 HydrophobicContact CD-CE1 3.82Å; K391-F405 HydrophobicContact CD-CZ 4.43Å; K391-F405 HydrophobicContact CG-CD1 4.26Å; K391-F405 HydrophobicContact CG-CE1 3.71Å; V403-F405 HydrophobicContact CB-CE2 4.37Å; V403-F405 HydrophobicContact CG1-CD2 4.33Å; V403-F405 HydrophobicContact CG1-CE1 4.34Å; V403-F405 HydrophobicContact CG1-CE2 3.67Å; V403-F405 HydrophobicContact CG1-CZ 3.67Å
406Y95.5Very high77.5Confident94 Ų9473 Ų7337%0.36937%0.365SS..EExtended strand (participates in β ladder)trans-124.6108.2-178.9-61.5-85.5000110.3R339 D404R339-Y406 HydrophobicContact CB-CD1 4.19Å; R339-Y406 HydrophobicContact CB-CE1 4.36Å; R339-Y406 CarbonylContact O-C 3.17Å; R339-Y406 WeakPolarHBondContact O-CA 3.35Å; D404-Y406 HydrophobicContact CB-CE2 4.17Å
407L84.7Confident74.8Confident1 Ų170 Ų701%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-91.4140.7-176.4-53.6-174000111.7V338 R339 S340 R341 V346 A349 V381 H383 Y386 T389V338-L407 HydrophobicContact CG1-CD1 3.66Å; V338-L407 HydrophobicContact CG1-CD2 4.48Å; V338-L407 HydrophobicContact CG1-CG 3.8Å; R339-L407 PolarHBondContact O-N 3.35Å; S340-L407 CarbonylContact C-O 3.58Å; S340-L407 VanDerWaalsContact CA-O 3.29Å; S340-L407 WeakPolarHBondContact CA-O 3.4Å; R341-L407 PolarHBondContact N-O 3.35Å; V346-L407 HydrophobicContact CG1-CD1 4.17Å; V346-L407 HydrophobicContact CG2-CD1 4.43Å; A349-L407 HydrophobicContact CB-CD1 4.42Å; V381-L407 HydrophobicContact CB-CD2 4.31Å; V381-L407 HydrophobicContact CG1-CD1 4.26Å; V381-L407 HydrophobicContact CG1-CD2 4.04Å; H383-L407 HydrophobicContact CB-CD1 3.96Å; Y386-L407 HydrophobicContact CD1-CB 3.95Å; Y386-L407 HydrophobicContact CD2-CB 4.38Å; Y386-L407 HydrophobicContact CD2-CD1 4.08Å; Y386-L407 HydrophobicContact CG-CB 3.74Å; Y386-L407 HydrophobicContact CG-CD1 4.17Å; T389-L407 HydrophobicContact CG2-CD2 3.49Å; T389-L407 VanDerWaalsContact CG2-CD2 3.49Å
408T82.7Confident72.3Confident39 Ų3970.1 Ų70.124%0.23938%0.376CS..EExtended strand (participates in β ladder)trans-99.7132.6179.6-60.30000109.4Y386 S387 S412 V413Y386-T408 CarbonylContact C-O 3.52Å; Y386-T408 VanDerWaalsContact CA-O 3.29Å; Y386-T408 WeakPolarHBondContact CA-O 3.36Å; Y386-T408 WeakPolarHBondContact CB-O 3.41Å; S387-T408 PolarHBondContact N-O 3.34Å; S387-T408 WeakPolarHBondContact OG-CB 3.37Å; S387-T408 PolarHBondContact OG-O 2.87Å; T408-S412 WeakPolarHBondContact CG2-OG 3.49Å; T408-V413 HydrophobicContact CG2-CG2 3.94Å
409D76.8Confident70Confident62 Ų6270.4 Ų70.433%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-66.2136.8-179.6-170.1-59.3000109.8Y386 N411 S412Y386-D409 HydrophobicContact CD1-CB 4.32Å; Y386-D409 HydrophobicContact CE1-CB 4.42Å; D409-N411 PolarHBondContact O-N 3.27Å; D409-N411 VanDerWaalsContact O-N 3.15Å; D409-N411 VanDerWaalsContact OD1-CB 3.3Å; D409-N411 WeakPolarHBondContact OD1-CB 3.23Å; D409-N411 PolarHBondContact OD1-N 2.84Å; D409-N411 PolarHBondContact OD1-ND2 3.4Å; D409-S412 PolarHBondContact O-N 3.34Å; D409-S412 PolarHBondContact O-OG 3.05Å
410W66.2Low67.5Low29 Ų2970.3 Ų70.311%0.1137%0.373CS..G310 helixtrans-53.9-35.6177.6-82121.7000113.4L385 Y386 S387 S412 V413 F459 T461 V466L385-W410 VanDerWaalsContact C-CD1 3.49Å; L385-W410 PolarHBondContact O-N 2.66Å; Y386-W410 VanDerWaalsContact C-NE1 3.28Å; Y386-W410 PolarHBondContact O-NE1 3.16Å; S387-W410 VanDerWaalsContact CB-CH2 3.43Å; W410-S412 PolarHBondContact O-N 3.07Å; W410-V413 HydrophobicContact CE3-CB 4.32Å; W410-V413 HydrophobicContact CE3-CG2 4.07Å; W410-V413 HydrophobicContact CZ3-CG2 4.26Å; W410-V413 PolarHBondContact O-N 3.43Å; W410-V413 VanDerWaalsContact O-N 3.15Å; W410-F459 AromaticContact CD2-CE2 3.68Å; W410-F459 HydrophobicContact CD2-CE2 3.68Å; W410-F459 AromaticContact CD2-CZ 3.62Å; W410-F459 HydrophobicContact CD2-CZ 3.62Å; W410-F459 AromaticContact CE2-CE2 3.86Å; W410-F459 AromaticContact CE2-CZ 3.77Å; W410-F459 HydrophobicContact CE3-CD2 4.04Å; W410-F459 AromaticContact CE3-CE2 3.21Å; W410-F459 HydrophobicContact CE3-CE2 3.21Å; W410-F459 AromaticContact CE3-CZ 3.63Å; W410-F459 HydrophobicContact CE3-CZ 3.63Å; W410-F459 HydrophobicContact CG-CZ 4.35Å; W410-F459 HydrophobicContact CH2-CD2 4.22Å; W410-F459 AromaticContact CH2-CE2 3.29Å; W410-F459 HydrophobicContact CH2-CE2 3.29Å; W410-F459 HydrophobicContact CH2-CZ 4.05Å; W410-F459 AromaticContact CZ2-CE2 3.67Å; W410-F459 HydrophobicContact CZ2-CE2 3.67Å; W410-F459 AromaticContact CZ2-CZ 3.96Å; W410-F459 HydrophobicContact CZ2-CZ 3.96Å; W410-F459 AromaticContact CZ3-CD2 3.75Å; W410-F459 HydrophobicContact CZ3-CD2 3.75Å; W410-F459 AromaticContact CZ3-CE2 3.03Å; W410-F459 HydrophobicContact CZ3-CE2 3.03Å; W410-F459 AromaticContact CZ3-CZ 3.89Å; W410-F459 HydrophobicContact CZ3-CZ 3.89Å; W410-T461 HydrophobicContact CZ3-CG2 4.47Å; W410-T461 WeakPolarHBondContact CZ3-OG1 3.4Å; W410-V466 HydrophobicContact CH2-CB 4.48Å; W410-V466 HydrophobicContact CH2-CG2 3.6Å; W410-V466 HydrophobicContact CZ2-CB 4.32Å; W410-V466 HydrophobicContact CZ2-CG1 4.33Å; W410-V466 HydrophobicContact CZ2-CG2 3.52Å
411N63.9Low64.8Low154 Ų15473.3 Ų73.382%0.82438%0.383SS*.G310 helixtrans-67.7-19.9179.8-58.6-57.1000112.9D409D409-N411 PolarHBondContact O-N 3.27Å; D409-N411 VanDerWaalsContact O-N 3.15Å; D409-N411 VanDerWaalsContact OD1-CB 3.3Å; D409-N411 WeakPolarHBondContact OD1-CB 3.23Å; D409-N411 PolarHBondContact OD1-N 2.84Å; D409-N411 PolarHBondContact OD1-ND2 3.4Å
412S63.6Low62Low76 Ų7674.1 Ų74.153%0.53139%0.387SS..G310 helixtrans-89.2-11.7176.766.40000113.5T408 D409 W410 Q414T408-S412 WeakPolarHBondContact CG2-OG 3.49Å; D409-S412 PolarHBondContact O-N 3.34Å; D409-S412 PolarHBondContact O-OG 3.05Å; W410-S412 PolarHBondContact O-N 3.07Å; S412-Q414 PolarHBondContact O-N 3.1Å
413V54.1Low58.9Low39 Ų3973.5 Ų73.524%0.23639%0.388CS..SBendtrans-85.1113.7177.8-169.50000108.8T408 W410 G415 T461T408-V413 HydrophobicContact CG2-CG2 3.94Å; W410-V413 HydrophobicContact CE3-CB 4.32Å; W410-V413 HydrophobicContact CE3-CG2 4.07Å; W410-V413 HydrophobicContact CZ3-CG2 4.26Å; W410-V413 PolarHBondContact O-N 3.43Å; W410-V413 VanDerWaalsContact O-N 3.15Å; V413-G415 PolarHBondContact O-N 2.77Å; V413-T461 HydrophobicContact CG1-CG2 3.4Å
414Q43.9Very low55.9Low203 Ų20374.7 Ų74.795%0.94940%0.396SS*.  trans-71.680.7170.7-73.7-173.2-11.700109.6S412S412-Q414 PolarHBondContact O-N 3.1Å
415G45.9Very low52.7Low33 Ų3376.7 Ų76.734%0.3441%0.412SS..  trans-92.1140.6175.400000112.1V413 S417V413-G415 PolarHBondContact O-N 2.77Å; G415-S417 PolarHBondContact O-N 2.86Å
416K37.2Very low49.7Very low200 Ų20081 Ų8187%0.8744%0.435SS*.  trans-66.8102159.4-72.6-178-179.7177.30107.4
417S35.5Very low46.9Very low94 Ų9480.3 Ų80.366%0.65746%0.457SS*.EExtended strand (participates in β ladder)trans-76.4123.8172.162.30000109.8G415G415-S417 PolarHBondContact O-N 2.86Å
418A34.9Very low44.4Very low54 Ų5483 Ų8345%0.44648%0.48SS..EExtended strand (participates in β ladder)trans-99.2119.5162.800000108.3N458A418-N458 PolarHBondContact N-O 3.29Å; A418-N458 VanDerWaalsContact N-O 3.1Å; A418-N458 PolarHBondContact O-N 3.04Å
419K32.2Very low42.1Very low115 Ų11590.9 Ų90.950%0.551%0.51SS..EExtended strand (participates in β ladder)trans-90.7114.5171.8-169.4-170-174.5-164.60107.4E421K419-E421 HydrophobicContact CD-CG 4.39Å; K419-E421 WeakPolarHBondContact CE-OE1 2.79Å; K419-E421 HydrophobicContact CG-CG 4.48Å; K419-E421 IonicContact NZ-OE1 3.78Å; K419-E421 PolarHBondContact NZ-OE1 3.06Å
420V33.5Very low40.1Very low49 Ų4994 Ų9430%0.29752%0.524SS..EExtended strand (participates in β ladder)trans-104.6115.8169.1-177.40000107.5V422 F456V420-V422 HydrophobicContact CG1-CG2 4.25Å; V420-F456 HydrophobicContact CB-CB 4.34Å; V420-F456 PolarHBondContact N-O 3.32Å; V420-F456 PolarHBondContact O-N 3.32Å; V420-F456 VanDerWaalsContact O-N 3.11Å; V420-F456 VanDerWaalsContact O-O 3.12Å
421E32.3Very low38.7Very low89 Ų89102.2 Ų102.242%0.41656%0.561SS.*EExtended strand (participates in β ladder)trans-91.4120.2171.5-69.6-172.2166.600108.8K419 F423 Y455K419-E421 HydrophobicContact CD-CG 4.39Å; K419-E421 WeakPolarHBondContact CE-OE1 2.79Å; K419-E421 HydrophobicContact CG-CG 4.48Å; K419-E421 IonicContact NZ-OE1 3.78Å; K419-E421 PolarHBondContact NZ-OE1 3.06Å; E421-F423 HydrophobicContact CB-CE2 3.95Å; E421-F423 HydrophobicContact CB-CZ 4.41Å; E421-Y455 HydrophobicContact CG-CD1 4.32Å; E421-Y455 HydrophobicContact CG-CE1 4.43Å
422V34.3Very low37.5Very low34 Ų3499.1 Ų99.121%0.20654%0.542CS..EExtended strand (participates in β ladder)trans-104.9115.7172.5-178.80000108V420 V424 F456V420-V422 HydrophobicContact CG1-CG2 4.25Å; V422-V424 HydrophobicContact CG1-CG2 4.49Å; V422-F456 HydrophobicContact CB-CD2 4.23Å; V422-F456 HydrophobicContact CB-CE2 4.08Å; V422-F456 HydrophobicContact CG2-CD2 3.65Å; V422-F456 HydrophobicContact CG2-CE2 3.81Å
423F31.1Very low36.1Very low136 Ų13698.1 Ų98.160%0.59653%0.533SS*.EExtended strand (participates in β ladder)trans-90.7117.5173.4-64.8-89.8000109E421E421-F423 HydrophobicContact CB-CE2 3.95Å; E421-F423 HydrophobicContact CB-CZ 4.41Å
424V34Very low35.2Very low40 Ų40104.6 Ų104.624%0.24257%0.567CS.*  trans-99.9113.5165.4-171.80000106V422 W448V422-V424 HydrophobicContact CG1-CG2 4.49Å; V424-W448 HydrophobicContact CG1-CB 4.34Å; V424-W448 HydrophobicContact CG1-CE3 4.42Å
425S28.9Very low34.9Very low70 Ų7099.1 Ų99.149%0.4954%0.543SS..  trans-112.8138.1176.557.40000109.4G427 A428S425-G427 PolarHBondContact O-N 3.38Å; S425-A428 PolarHBondContact O-N 3.01Å; S425-A428 WeakPolarHBondContact OG-CB 3.32Å
426N32.8Very low34.1Very low89 Ų89103 Ų10348%0.47656%0.563SS.*THydrogen-bonded Turntrans-50.1123.3-179.1-81.6-21.4000110.7A428N426-A428 VanDerWaalsContact C-N 3.3Å; N426-A428 PolarHBondContact O-N 3.28Å
427G35.5Very low34.1Very low80 Ų80100.4 Ų100.483%0.82556%0.558SS**THydrogen-bonded Turntrans76.13.9171.600000116.5S425S425-G427 PolarHBondContact O-N 3.38Å
428A32.9Very low34.1Very low59 Ų5998.6 Ų98.649%0.48854%0.538SS..PPolyproline II helixtrans-98124.5172.600000110.8S425 N426 M430S425-A428 PolarHBondContact O-N 3.01Å; S425-A428 WeakPolarHBondContact OG-CB 3.32Å; N426-A428 VanDerWaalsContact C-N 3.3Å; N426-A428 PolarHBondContact O-N 3.28Å; A428-M430 PolarHBondContact O-N 3.23Å
429K35Very low34Very low203 Ų203103.4 Ų103.488%0.88356%0.556SS**PPolyproline II helixtrans-51.2126.4167.8-67.8178.2177.8179.20108.9K431K429-K431 PolarHBondContact O-N 3.37Å
430M35.4Very low34Very low128 Ų128106.2 Ų106.263%0.63157%0.571SS**PPolyproline II helixtrans-52.5117.6170.1-89.8177.361.100108.7A428A428-M430 PolarHBondContact O-N 3.23Å
431K35.9Very low34Very low202 Ų202106 Ų10688%0.87857%0.571SS**PPolyproline II helixtrans-77.3124.4156-86.3-171.5174.6-174.90106.8K429K429-K431 PolarHBondContact O-N 3.37Å
432Q39Very low34.1Very low89 Ų89107.7 Ų107.742%0.41659%0.593SS.*PPolyproline II helixtrans-49.4133.7172.2-141.3170.21.800108.8D434 F438Q432-D434 PolarHBondContact O-N 3.38Å; Q432-F438 HydrophobicContact CG-CD1 4.07Å; Q432-F438 HydrophobicContact CG-CE1 4.22Å; Q432-F438 VanDerWaalsContact NE2-CD1 3.27Å
433P34.8Very low34.1Very low54 Ų54108.9 Ų108.935%0.35161%0.607SS.*PPolyproline II helixtrans-64.2128.7171.322-26.5000109.1L435P433-L435 VanDerWaalsContact C-N 3.28Å; P433-L435 HydrophobicContact CB-CD1 4.28Å; P433-L435 HydrophobicContact CG-CD1 4.3Å; P433-L435 PolarHBondContact O-N 2.84Å
434D35.2Very low34.2Very low176 Ų176109 Ų10994%0.94161%0.613SS**  trans-63.990.5170.3-88.8-30.4000108.7Q432Q432-D434 PolarHBondContact O-N 3.38Å
435L36.1Very low34.2Very low88 Ų88116 Ų11646%0.46164%0.643SS.*  trans-121.9131.9170.6-75.6163.5000107.3P433 D437P433-L435 VanDerWaalsContact C-N 3.28Å; P433-L435 HydrophobicContact CB-CD1 4.28Å; P433-L435 HydrophobicContact CG-CD1 4.3Å; P433-L435 PolarHBondContact O-N 2.84Å; L435-D437 PolarHBondContact O-N 2.68Å
436P29.5Very low34.6Very low115 Ų115115 Ų11575%0.74764%0.636SS**THydrogen-bonded Turntrans-53134.1167.8-19.730.7000109.2
437D38.2Very low34.8Very low145 Ų145117.2 Ų117.278%0.77565%0.648SS**THydrogen-bonded Turntrans7519.5173.4-48.1-40.3000118.1L435 L439L435-D437 PolarHBondContact O-N 2.68Å; D437-L439 PolarHBondContact O-N 3.05Å
438F33.9Very low35.1Very low55 Ų55116 Ų11624%0.24162%0.618CS.*  trans-78.4111.7168.4-156.3-83.1000110.9Q432 E440Q432-F438 HydrophobicContact CG-CD1 4.07Å; Q432-F438 HydrophobicContact CG-CE1 4.22Å; Q432-F438 VanDerWaalsContact NE2-CD1 3.27Å; F438-E440 PolarHBondContact O-N 2.97Å
439L33.5Very low35.3Very low155 Ų155122.3 Ų122.381%0.81263%0.631SS**  trans-67.2127.3175.1-79.2162.2000111D437 S441D437-L439 PolarHBondContact O-N 3.05Å; L439-S441 PolarHBondContact O-N 3.49Å
440E32.5Very low35.5Very low175 Ų175114.3 Ų114.382%0.81860%0.6SS**  trans-56.8128.5168.8-74-176.5158.500110.1F438F438-E440 PolarHBondContact O-N 2.97Å
441S33.5Very low35.8Very low44 Ų44110.5 Ų110.531%0.30858%0.582SS.*  trans-125.4143.917289.20000109.9L439 A443L439-S441 PolarHBondContact O-N 3.49Å; S441-A443 PolarHBondContact O-N 2.95Å
442S34.4Very low36.3Very low125 Ų125101 Ų10187%0.87454%0.543SS*.SBendtrans-71.48.5-177.852.80000114.8N444S442-N444 PolarHBondContact O-N 2.82Å
443A35.4Very low36.5Very low59 Ų59102.2 Ų102.249%0.48854%0.543SS..  trans-77.153.5170.800000111.4S441 Q445 Q510S441-A443 PolarHBondContact O-N 2.95Å; A443-Q445 PolarHBondContact O-N 3.37Å; A443-Q510 HydrophobicContact CB-CG 4.19Å
444N32.1Very low37Very low137 Ų137100.6 Ų100.673%0.73353%0.531SS*.  trans-88.612.5-174.2-83.1-17000114.7S442S442-N444 PolarHBondContact O-N 2.82Å
445Q34.7Very low37.3Very low188 Ų18895.2 Ų95.288%0.87950%0.498SS*.  trans-142.892-176.8-64.6-1771.100111A443A443-Q445 PolarHBondContact O-N 3.37Å
446C37.5Very low37.6Very low49 Ų4991.5 Ų91.533%0.33148%0.478SS..  trans-130.599.7172.2-174.40000107.3W448 C513C446-W448 PolarHBondContact O-N 3.15Å; C446-C513 HydrophobicContact CB-CB 3.91Å; C446-C513 WeakPolarHBondContact CB-SG 3.39Å; C446-C513 WeakPolarHBondContact SG-CA 3.43Å; C446-C513 WeakPolarHBondContact SG-CB 3.28Å; C446-C513 CovalentContact SG-SG 2.03Å; C446-C513 PolarHBondContact SG-SG 3.46Å
447D36.3Very low38.1Very low136 Ų13692.9 Ų92.973%0.72747%0.468SS*.  trans-80.1102.9175.8-75-27000108.6Y449D447-Y449 HydrophobicContact CB-CE2 4.28Å
448W41.2Very low38.2Very low53 Ų5387.7 Ų87.720%0.20144%0.44CS..  trans-104.3121.8179.5-130.658.1000110V424 C446 S450 F454 L512V424-W448 HydrophobicContact CG1-CB 4.34Å; V424-W448 HydrophobicContact CG1-CE3 4.42Å; C446-W448 PolarHBondContact O-N 3.15Å; W448-S450 VanDerWaalsContact CE3-OG 3.32Å; W448-S450 WeakPolarHBondContact CZ3-OG 3.41Å; W448-F454 AromaticContact CH2-CE2 3.61Å; W448-F454 HydrophobicContact CH2-CE2 3.61Å; W448-F454 AromaticContact CH2-CZ 3.59Å; W448-F454 HydrophobicContact CH2-CZ 3.59Å; W448-F454 HydrophobicContact CZ2-CZ 4.38Å; W448-F454 AromaticContact CZ3-CE2 3.58Å; W448-F454 HydrophobicContact CZ3-CE2 3.58Å; W448-F454 HydrophobicContact CZ3-CZ 4.06Å; W448-L512 HydrophobicContact CZ2-CD2 4Å
449Y37.4Very low38.5Very low193 Ų19386.5 Ų86.576%0.75744%0.435SS*.  trans-107.371.1174.7-65.5-87.2000109.6D447D447-Y449 HydrophobicContact CB-CE2 4.28Å
450S39.4Very low38.9Very low34 Ų3482.9 Ų82.924%0.23842%0.423CS..SBendtrans-153.9136.9161.175.60000110.6W448 G452W448-S450 VanDerWaalsContact CE3-OG 3.32Å; W448-S450 WeakPolarHBondContact CZ3-OG 3.41Å; S450-G452 PolarHBondContact O-N 3.13Å
451N41.5Very low39.3Very low48 Ų4875.5 Ų75.526%0.25739%0.389SS..  trans-71.951.2174.8-68.3-36.8000112I474 E476N451-I474 HydrophobicContact CB-CB 4.46Å; N451-I474 PolarHBondContact O-N 3.33Å; N451-E476 WeakPolarHBondContact ND2-CG 3.38Å; N451-E476 PolarHBondContact ND2-OE1 2.96Å; N451-E476 PolarHBondContact ND2-OE2 3.27Å
452G45.9Very low39.8Very low4 Ų481.7 Ų81.74%0.04142%0.419CS..EExtended strand (participates in β ladder)trans-87.5132.6176.300000111.2S450 A472S450-G452 PolarHBondContact O-N 3.13Å; G452-A472 WeakPolarHBondContact CA-O 3.38Å
453R43.2Very low40.2Very low114 Ų11477.9 Ų77.943%0.4340%0.4SS..EExtended strand (participates in β ladder)trans-99.3130.2165.9-68.2-175.9-177.61780.1109.4Y455 S471 A472R453-Y455 HydrophobicContact CB-CE2 4.14Å; R453-S471 CarbonylContact O-C 3.53Å; R453-S471 WeakPolarHBondContact O-CA 3.39Å; R453-A472 PolarHBondContact N-O 3.49Å; R453-A472 PolarHBondContact O-N 3.15Å
454F46.7Very low40.5Very low20 Ų2075.6 Ų75.69%0.08838%0.381CS..EExtended strand (participates in β ladder)trans-107.9123.1169.4-66.8-88.7000109.6W448 F456 I469 T470W448-F454 AromaticContact CH2-CE2 3.61Å; W448-F454 HydrophobicContact CH2-CE2 3.61Å; W448-F454 AromaticContact CH2-CZ 3.59Å; W448-F454 HydrophobicContact CH2-CZ 3.59Å; W448-F454 HydrophobicContact CZ2-CZ 4.38Å; W448-F454 AromaticContact CZ3-CE2 3.58Å; W448-F454 HydrophobicContact CZ3-CE2 3.58Å; W448-F454 HydrophobicContact CZ3-CZ 4.06Å; F454-F456 HydrophobicContact CB-CD2 4.22Å; F454-F456 HydrophobicContact CB-CE2 3.39Å; F454-F456 HydrophobicContact CB-CZ 3.85Å; F454-F456 HydrophobicContact CG-CE2 4.36Å; F454-F456 HydrophobicContact CG-CZ 4.43Å; F454-I469 HydrophobicContact CD1-CG2 3.96Å; F454-T470 CarbonylContact C-O 3.52Å; F454-T470 WeakPolarHBondContact CA-O 3.38Å
455Y41Very low41.1Very low63 Ų6370.9 Ų70.925%0.24735%0.354CS..EExtended strand (participates in β ladder)trans-97.2119.1171.2-59.4-82.4000108.6E421 R453 S468 I469 T470 A472E421-Y455 HydrophobicContact CG-CD1 4.32Å; E421-Y455 HydrophobicContact CG-CE1 4.43Å; R453-Y455 HydrophobicContact CB-CE2 4.14Å; Y455-S468 VanDerWaalsContact O-O 3.1Å; Y455-I469 CarbonylContact O-C 3.53Å; Y455-I469 WeakPolarHBondContact O-CA 3.49Å; Y455-T470 PolarHBondContact N-O 3.32Å; Y455-T470 PolarHBondContact O-N 2.97Å; Y455-A472 HydrophobicContact CE2-CB 4.31Å
456F41.2Very low41.6Very low10 Ų1062 Ų624%0.04431%0.313CS..EExtended strand (participates in β ladder)trans-102.8115.6171.4-63.3-92.4000107.7V420 V422 F454 I469 I505 F508 M509V420-F456 HydrophobicContact CB-CB 4.34Å; V420-F456 PolarHBondContact N-O 3.32Å; V420-F456 PolarHBondContact O-N 3.32Å; V420-F456 VanDerWaalsContact O-N 3.11Å; V420-F456 VanDerWaalsContact O-O 3.12Å; V422-F456 HydrophobicContact CB-CD2 4.23Å; V422-F456 HydrophobicContact CB-CE2 4.08Å; V422-F456 HydrophobicContact CG2-CD2 3.65Å; V422-F456 HydrophobicContact CG2-CE2 3.81Å; F454-F456 HydrophobicContact CB-CD2 4.22Å; F454-F456 HydrophobicContact CB-CE2 3.39Å; F454-F456 HydrophobicContact CB-CZ 3.85Å; F454-F456 HydrophobicContact CG-CE2 4.36Å; F454-F456 HydrophobicContact CG-CZ 4.43Å; F456-I469 HydrophobicContact CD1-CB 4.45Å; F456-I469 HydrophobicContact CD1-CD1 4.28Å; F456-I469 HydrophobicContact CD1-CG1 3.78Å; F456-I469 HydrophobicContact CD1-CG2 4.22Å; F456-I469 HydrophobicContact CE1-CB 4.22Å; F456-I469 HydrophobicContact CE1-CD1 3.73Å; F456-I469 HydrophobicContact CE1-CG1 3.64Å; F456-I469 HydrophobicContact CE1-CG2 3.67Å; F456-I469 HydrophobicContact CZ-CG2 3.87Å; F456-I505 HydrophobicContact CE1-CG2 4.41Å; F456-F508 HydrophobicContact CE1-CD1 4.49Å; F456-F508 HydrophobicContact CE1-CE1 4.3Å; F456-F508 HydrophobicContact CZ-CE1 4.28Å; F456-M509 HydrophobicContact CE1-CE 4.03Å; F456-M509 HydrophobicContact CE2-CE 3.71Å; F456-M509 HydrophobicContact CZ-CE 3.18Å
457R40Very low42.2Very low143 Ų14360 Ų6054%0.5430%0.299SS..EExtended strand (participates in β ladder)trans-107.4117165.1-69.2-178.3-179.51720.1107.7Y467 S468R457-Y467 CarbonylContact O-C 3.59Å; R457-Y467 WeakPolarHBondContact O-CA 3.24Å; R457-S468 PolarHBondContact N-O 3.41Å; R457-S468 PolarHBondContact O-N 3.14Å
458N40.6Very low42.7Very low37 Ų3754 Ų5420%0.19827%0.267CS..EExtended strand (participates in β ladder)trans-96.8137.4163.5-175.7-0.3000107.6A418 E465 V466 Y467A418-N458 PolarHBondContact N-O 3.29Å; A418-N458 VanDerWaalsContact N-O 3.1Å; A418-N458 PolarHBondContact O-N 3.04Å; N458-E465 PolarHBondContact ND2-OE1 3.49Å; N458-V466 WeakPolarHBondContact CA-O 3.41Å; N458-Y467 HydrophobicContact CB-CD1 3.92Å; N458-Y467 HydrophobicContact CB-CE1 3.84Å; N458-Y467 VanDerWaalsContact CG-CE1 3.45Å; N458-Y467 VanDerWaalsContact ND2-CE1 3.26Å; N458-Y467 WeakPolarHBondContact ND2-CE1 3.12Å; N458-Y467 PolarHBondContact ND2-OH 2.92Å
459F41.2Very low43.1Very low30 Ų3051.6 Ų51.613%0.13226%0.258CS..EExtended strand (participates in β ladder)trans-129.5134.4157.152.6-92.2000109W410 T461 V466W410-F459 AromaticContact CD2-CE2 3.68Å; W410-F459 HydrophobicContact CD2-CE2 3.68Å; W410-F459 AromaticContact CD2-CZ 3.62Å; W410-F459 HydrophobicContact CD2-CZ 3.62Å; W410-F459 AromaticContact CE2-CE2 3.86Å; W410-F459 AromaticContact CE2-CZ 3.77Å; W410-F459 HydrophobicContact CE3-CD2 4.04Å; W410-F459 AromaticContact CE3-CE2 3.21Å; W410-F459 HydrophobicContact CE3-CE2 3.21Å; W410-F459 AromaticContact CE3-CZ 3.63Å; W410-F459 HydrophobicContact CE3-CZ 3.63Å; W410-F459 HydrophobicContact CG-CZ 4.35Å; W410-F459 HydrophobicContact CH2-CD2 4.22Å; W410-F459 AromaticContact CH2-CE2 3.29Å; W410-F459 HydrophobicContact CH2-CE2 3.29Å; W410-F459 HydrophobicContact CH2-CZ 4.05Å; W410-F459 AromaticContact CZ2-CE2 3.67Å; W410-F459 HydrophobicContact CZ2-CE2 3.67Å; W410-F459 AromaticContact CZ2-CZ 3.96Å; W410-F459 HydrophobicContact CZ2-CZ 3.96Å; W410-F459 AromaticContact CZ3-CD2 3.75Å; W410-F459 HydrophobicContact CZ3-CD2 3.75Å; W410-F459 AromaticContact CZ3-CE2 3.03Å; W410-F459 HydrophobicContact CZ3-CE2 3.03Å; W410-F459 AromaticContact CZ3-CZ 3.89Å; W410-F459 HydrophobicContact CZ3-CZ 3.89Å; F459-T461 HydrophobicContact CD2-CG2 4.11Å; F459-V466 HydrophobicContact CD2-CB 3.94Å; F459-V466 HydrophobicContact CD2-CG2 4.39Å; F459-V466 HydrophobicContact CE1-CB 3.97Å; F459-V466 HydrophobicContact CE1-CG1 3.88Å; F459-V466 HydrophobicContact CE2-CB 3.24Å; F459-V466 HydrophobicContact CE2-CG1 3.8Å; F459-V466 HydrophobicContact CE2-CG2 3.61Å; F459-V466 HydrophobicContact CZ-CB 3.31Å; F459-V466 HydrophobicContact CZ-CG1 3.3Å; F459-V466 HydrophobicContact CZ-CG2 4.03Å; F459-V466 PolarHBondContact N-O 3.44Å; F459-V466 VanDerWaalsContact N-O 3.15Å; F459-V466 PolarHBondContact O-N 3.11Å
460S40.5Very low43.5Very low78 Ų7844.1 Ų44.155%0.54523%0.233SC..EExtended strand (participates in β ladder)trans-100.9122.6174.2-177.70000108.3
461T41.6Very low43.9Very low20 Ų2043.4 Ų43.412%0.12323%0.228CC..EExtended strand (participates in β ladder)trans-143.1118.1-17956.90000108.9W410 V413 F459 G463 A464W410-T461 HydrophobicContact CZ3-CG2 4.47Å; W410-T461 WeakPolarHBondContact CZ3-OG1 3.4Å; V413-T461 HydrophobicContact CG1-CG2 3.4Å; F459-T461 HydrophobicContact CD2-CG2 4.11Å; T461-G463 PolarHBondContact O-N 3.37Å; T461-A464 PolarHBondContact N-O 2.66Å; T461-A464 PolarHBondContact O-N 2.99Å
462D43.6Very low44.2Very low174 Ų17441.9 Ų41.993%0.9322%0.222SC*.THydrogen-bonded Turntrans42.356.3171.8-65.2-20.4000115.5A464D462-A464 VanDerWaalsContact C-N 3.28Å; D462-A464 PolarHBondContact O-N 2.72Å
463G42.4Very low44.3Very low45 Ų4547.4 Ų47.446%0.46425%0.245SC..THydrogen-bonded Turntrans79.36.3175.800000115.1T461 R494T461-G463 PolarHBondContact O-N 3.37Å; G463-R494 PolarHBondContact O-N 3.13Å
464A43Very low44.3Very low12 Ų1245 Ų4510%0.09924%0.24CC..EExtended strand (participates in β ladder)trans-117.6129.9169.700000111.9T461 D462 D492T461-A464 PolarHBondContact N-O 2.66Å; T461-A464 PolarHBondContact O-N 2.99Å; D462-A464 VanDerWaalsContact C-N 3.28Å; D462-A464 PolarHBondContact O-N 2.72Å; A464-D492 CarbonylContact C-O 3.6Å; A464-D492 WeakPolarHBondContact CA-O 3.31Å
465E44.8Very low44.2Very low37 Ų3748 Ų4817%0.17326%0.257CS..EExtended strand (participates in β ladder)trans-100.6129.2166.9-60.7-162.694.400109N458 Y467 A491 D492 S499N458-E465 PolarHBondContact ND2-OE1 3.49Å; E465-Y467 HydrophobicContact CB-CE2 3.74Å; E465-Y467 WeakPolarHBondContact CB-OH 3.48Å; E465-Y467 PolarHBondContact OE1-OH 3.45Å; E465-Y467 PolarHBondContact OE2-OH 2.99Å; E465-A491 CarbonylContact O-C 3.59Å; E465-A491 WeakPolarHBondContact O-CA 3.29Å; E465-D492 HydrophobicContact CB-CB 4.32Å; E465-D492 PolarHBondContact N-O 2.83Å; E465-D492 PolarHBondContact O-N 3.45Å; E465-S499 WeakPolarHBondContact OE2-CB 3.11Å; E465-S499 PolarHBondContact OE2-OG 3.18Å
466V45.7Very low44.5Very low2 Ų251.7 Ų51.71%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-122.5120.1-179.8-178.70000111.3W410 N458 F459 V489 I490 A491W410-V466 HydrophobicContact CH2-CB 4.48Å; W410-V466 HydrophobicContact CH2-CG2 3.6Å; W410-V466 HydrophobicContact CZ2-CB 4.32Å; W410-V466 HydrophobicContact CZ2-CG1 4.33Å; W410-V466 HydrophobicContact CZ2-CG2 3.52Å; N458-V466 WeakPolarHBondContact CA-O 3.41Å; F459-V466 HydrophobicContact CD2-CB 3.94Å; F459-V466 HydrophobicContact CD2-CG2 4.39Å; F459-V466 HydrophobicContact CE1-CB 3.97Å; F459-V466 HydrophobicContact CE1-CG1 3.88Å; F459-V466 HydrophobicContact CE2-CB 3.24Å; F459-V466 HydrophobicContact CE2-CG1 3.8Å; F459-V466 HydrophobicContact CE2-CG2 3.61Å; F459-V466 HydrophobicContact CZ-CB 3.31Å; F459-V466 HydrophobicContact CZ-CG1 3.3Å; F459-V466 HydrophobicContact CZ-CG2 4.03Å; F459-V466 PolarHBondContact N-O 3.44Å; F459-V466 VanDerWaalsContact N-O 3.15Å; F459-V466 PolarHBondContact O-N 3.11Å; V466-V489 HydrophobicContact CG1-CG1 3.42Å; V466-V489 VanDerWaalsContact CG1-CG1 3.42Å; V466-I490 CarbonylContact C-O 3.56Å; V466-I490 WeakPolarHBondContact CA-O 3.49Å; V466-A491 HydrophobicContact CG2-CB 4.18Å
467Y49.1Very low44.9Very low8 Ų859.7 Ų59.73%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-101.2114179.9-51.3-89.8000109.4R457 N458 E465 V489 I490 G501 I505R457-Y467 CarbonylContact O-C 3.59Å; R457-Y467 WeakPolarHBondContact O-CA 3.24Å; N458-Y467 HydrophobicContact CB-CD1 3.92Å; N458-Y467 HydrophobicContact CB-CE1 3.84Å; N458-Y467 VanDerWaalsContact CG-CE1 3.45Å; N458-Y467 VanDerWaalsContact ND2-CE1 3.26Å; N458-Y467 WeakPolarHBondContact ND2-CE1 3.12Å; N458-Y467 PolarHBondContact ND2-OH 2.92Å; E465-Y467 HydrophobicContact CB-CE2 3.74Å; E465-Y467 WeakPolarHBondContact CB-OH 3.48Å; E465-Y467 PolarHBondContact OE1-OH 3.45Å; E465-Y467 PolarHBondContact OE2-OH 2.99Å; Y467-V489 CarbonylContact O-C 3.54Å; Y467-V489 VanDerWaalsContact O-CA 3.28Å; Y467-V489 WeakPolarHBondContact O-CA 3.43Å; Y467-I490 HydrophobicContact CD2-CB 3.99Å; Y467-I490 HydrophobicContact CD2-CG2 4.18Å; Y467-I490 WeakPolarHBondContact CD2-O 3.26Å; Y467-I490 HydrophobicContact CG-CB 4.48Å; Y467-I490 PolarHBondContact N-O 3.33Å; Y467-I490 PolarHBondContact O-N 3Å; Y467-G501 WeakPolarHBondContact OH-CA 3.48Å; Y467-I505 HydrophobicContact CD1-CD1 3.79Å; Y467-I505 HydrophobicContact CD1-CG1 4.39Å; Y467-I505 HydrophobicContact CE1-CD1 3.98Å
468S45.8Very low45.3Very low8 Ų858.2 Ų58.26%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-95.2110.9168.4-178.70000108.9Y455 R457 R487 I488Y455-S468 VanDerWaalsContact O-O 3.1Å; R457-S468 PolarHBondContact N-O 3.41Å; R457-S468 PolarHBondContact O-N 3.14Å; S468-R487 PolarHBondContact OG-NE 3.4Å; S468-I488 CarbonylContact C-O 3.59Å; S468-I488 VanDerWaalsContact CA-O 3.24Å; S468-I488 WeakPolarHBondContact CA-O 3.42Å
469I50.3Low45.5Very low3 Ų365.2 Ų65.22%0.01535%0.348CS..EExtended strand (participates in β ladder)trans-98.5122.8173.5-45.4175.3000107.7F454 Y455 F456 R487 I488 I490 F508F454-I469 HydrophobicContact CD1-CG2 3.96Å; Y455-I469 CarbonylContact O-C 3.53Å; Y455-I469 WeakPolarHBondContact O-CA 3.49Å; F456-I469 HydrophobicContact CD1-CB 4.45Å; F456-I469 HydrophobicContact CD1-CD1 4.28Å; F456-I469 HydrophobicContact CD1-CG1 3.78Å; F456-I469 HydrophobicContact CD1-CG2 4.22Å; F456-I469 HydrophobicContact CE1-CB 4.22Å; F456-I469 HydrophobicContact CE1-CD1 3.73Å; F456-I469 HydrophobicContact CE1-CG1 3.64Å; F456-I469 HydrophobicContact CE1-CG2 3.67Å; F456-I469 HydrophobicContact CZ-CG2 3.87Å; I469-R487 WeakPolarHBondContact O-CA 3.26Å; I469-I488 HydrophobicContact CB-CB 4.12Å; I469-I488 HydrophobicContact CD1-CB 4.39Å; I469-I488 HydrophobicContact CD1-CG2 4.42Å; I469-I488 HydrophobicContact CG1-CB 4.4Å; I469-I488 PolarHBondContact N-O 3.13Å; I469-I488 PolarHBondContact O-N 3.07Å; I469-I490 HydrophobicContact CD1-CD1 4Å; I469-F508 HydrophobicContact CD1-CD1 3.76Å; I469-F508 HydrophobicContact CD1-CD2 4.29Å; I469-F508 HydrophobicContact CD1-CE1 3.59Å; I469-F508 HydrophobicContact CD1-CE2 4.13Å; I469-F508 HydrophobicContact CD1-CG 4.08Å; I469-F508 HydrophobicContact CD1-CZ 3.75Å; I469-F508 HydrophobicContact CG2-CE1 4.04Å; I469-F508 HydrophobicContact CG2-CZ 4.05Å
470T46.7Very low45.6Very low36 Ų3669.4 Ų69.422%0.22137%0.372CS..EExtended strand (participates in β ladder)trans-119.6121.7173-52.80000109.3F454 Y455 P485 K486F454-T470 CarbonylContact C-O 3.52Å; F454-T470 WeakPolarHBondContact CA-O 3.38Å; Y455-T470 PolarHBondContact N-O 3.32Å; Y455-T470 PolarHBondContact O-N 2.97Å; T470-P485 HydrophobicContact CG2-CB 3.67Å; T470-K486 WeakPolarHBondContact CA-O 3.5Å
471S47.9Very low45.5Very low20 Ų2070.1 Ų70.114%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-94.7138170.262.60000111.3R453R453-S471 CarbonylContact O-C 3.53Å; R453-S471 WeakPolarHBondContact O-CA 3.39Å
472A47.9Very low45.4Very low15 Ų1578.3 Ų78.312%0.12441%0.407CS..EExtended strand (participates in β ladder)trans-124.4128.7168.400000108.8G452 R453 Y455G452-A472 WeakPolarHBondContact CA-O 3.38Å; R453-A472 PolarHBondContact N-O 3.49Å; R453-A472 PolarHBondContact O-N 3.15Å; Y455-A472 HydrophobicContact CE2-CB 4.31Å
473F46.3Very low45.1Very low120 Ų12073.1 Ų73.153%0.52638%0.384SS..EExtended strand (participates in β ladder)trans-94.1129.9172.1-71.8-84.5000109
474I44.7Very low45Very low64 Ų6477.7 Ų77.733%0.32840%0.397SS..  trans-96.4115169.6-55.7174.8000106.8N451 E476 T481N451-I474 HydrophobicContact CB-CB 4.46Å; N451-I474 PolarHBondContact O-N 3.33Å; I474-E476 PolarHBondContact O-N 3.27Å; I474-T481 HydrophobicContact CG1-CG2 4.38Å
475D44.5Very low44.6Very low83 Ų8381 Ų8144%0.44442%0.417SS..  trans-81.7106.5168.3-170.6-6.4000107.6E477 Q479D475-E477 PolarHBondContact O-N 3.24Å; D475-E477 PolarHBondContact OD1-N 3.4Å; D475-Q479 PolarHBondContact O-N 2.77Å
476E46.3Very low44.4Very low141 Ų14184.4 Ų84.466%0.65943%0.432SS*.THydrogen-bonded Turntrans-65.4-24.4-177-78.3-171.8159.900112.5N451 I474N451-E476 WeakPolarHBondContact ND2-CG 3.38Å; N451-E476 PolarHBondContact ND2-OE1 2.96Å; N451-E476 PolarHBondContact ND2-OE2 3.27Å; I474-E476 PolarHBondContact O-N 3.27Å
477E50.3Low44.1Very low178 Ų17891 Ų9183%0.83246%0.456SS*.THydrogen-bonded Turntrans-75.5-27.4-177.1-75.1-170.3163.300113.3D475D475-E477 PolarHBondContact O-N 3.24Å; D475-E477 PolarHBondContact OD1-N 3.4Å
478N47.8Very low43.8Very low111 Ų11192.2 Ų92.259%0.59446%0.463SS*.THydrogen-bonded Turntrans-119.41-170.9-91.5-42.5000115.7N480N478-N480 PolarHBondContact O-N 3.37Å
479Q46Very low43.6Very low184 Ų18494.3 Ų94.386%0.8648%0.475SS*.  trans46.715.3-175.6-68.8-170.4-3.900114.9D475D475-Q479 PolarHBondContact O-N 2.77Å
480N42Very low43.4Very low119 Ų11994.6 Ų94.664%0.63648%0.476SS*.  trans-112.7104.9-177.1-98-27.8000107.4N478 K482N478-N480 PolarHBondContact O-N 3.37Å; N480-K482 PolarHBondContact O-N 3.43Å
481T38.8Very low43.2Very low92 Ų9294.6 Ų94.656%0.56448%0.481SS*.  trans-61.494.9169.2250000110I474 S483I474-T481 HydrophobicContact CG1-CG2 4.38Å; T481-S483 PolarHBondContact O-N 3.19Å
482K38.9Very low43Very low192 Ų19294 Ų9484%0.83548%0.476SS*.  trans-78.174.8159.1-85.3-174.9177.81730108.6N480 I484N480-K482 PolarHBondContact O-N 3.43Å; K482-I484 PolarHBondContact O-N 2.93Å
483S38.6Very low42.7Very low65 Ų6596 Ų9646%0.45549%0.486SS..  trans-73.9114.4171.660.60000109.4T481 P485T481-S483 PolarHBondContact O-N 3.19Å; S483-P485 VanDerWaalsContact C-CD 3.48Å; S483-P485 WeakPolarHBondContact O-CD 3.26Å
484I39.2Very low42.7Very low142 Ų14295.7 Ų95.773%0.72848%0.481SS*.  trans-94.793.3151.4-56.4174.5000104.9K482 K486K482-I484 PolarHBondContact O-N 2.93Å; I484-K486 PolarHBondContact O-N 3.07Å
485P35.7Very low42.5Very low82 Ų8298.9 Ų98.953%0.53251%0.509SS..  trans-60.6109178.223.2-31.1000108.7T470 S483T470-P485 HydrophobicContact CG2-CB 3.67Å; S483-P485 VanDerWaalsContact C-CD 3.48Å; S483-P485 WeakPolarHBondContact O-CD 3.26Å
486K40.1Very low42.1Very low108 Ų10897.4 Ų97.447%0.4751%0.514SS..EExtended strand (participates in β ladder)trans-84.9114.4165-69.1-173.1-178.5177.90106.7T470 I484T470-K486 WeakPolarHBondContact CA-O 3.5Å; I484-K486 PolarHBondContact O-N 3.07Å
487R40Very low41.9Very low140 Ų140100 Ų10053%0.52853%0.526SS..EExtended strand (participates in β ladder)trans-93114175.8-167.7176.7-174-178.3-4.6108.3S468 I469 V489S468-R487 PolarHBondContact OG-NE 3.4Å; I469-R487 WeakPolarHBondContact O-CA 3.26Å; R487-V489 HydrophobicContact CG-CG2 4.11Å
488I43Very low41.4Very low34 Ų3498.5 Ų98.517%0.17452%0.518CS..EExtended strand (participates in β ladder)trans-99.3125.9167.8-56.7174.3000106.4S468 I469 I490 F508 I524 F526S468-I488 CarbonylContact C-O 3.59Å; S468-I488 VanDerWaalsContact CA-O 3.24Å; S468-I488 WeakPolarHBondContact CA-O 3.42Å; I469-I488 HydrophobicContact CB-CB 4.12Å; I469-I488 HydrophobicContact CD1-CB 4.39Å; I469-I488 HydrophobicContact CD1-CG2 4.42Å; I469-I488 HydrophobicContact CG1-CB 4.4Å; I469-I488 PolarHBondContact N-O 3.13Å; I469-I488 PolarHBondContact O-N 3.07Å; I488-I490 HydrophobicContact CG2-CG1 4.06Å; I488-F508 HydrophobicContact CD1-CE2 3.55Å; I488-F508 HydrophobicContact CD1-CZ 3.92Å; I488-I524 HydrophobicContact CD1-CD1 4.19Å; I488-F526 HydrophobicContact CG2-CE2 4.47Å
489V41.4Very low41.2Very low52 Ų5296 Ų9632%0.31551%0.51SS..EExtended strand (participates in β ladder)trans-110.7110.4177.7-178.20000107.2V466 Y467 R487V466-V489 HydrophobicContact CG1-CG1 3.42Å; V466-V489 VanDerWaalsContact CG1-CG1 3.42Å; Y467-V489 CarbonylContact O-C 3.54Å; Y467-V489 VanDerWaalsContact O-CA 3.28Å; Y467-V489 WeakPolarHBondContact O-CA 3.43Å; R487-V489 HydrophobicContact CG-CG2 4.11Å
490I45.7Very low41.3Very low8 Ų888.6 Ų88.64%0.04148%0.476CS..EExtended strand (participates in β ladder)trans-103.2118.1173.9-52.4176.5000106.7V466 Y467 I469 I488 L504 F526V466-I490 CarbonylContact C-O 3.56Å; V466-I490 WeakPolarHBondContact CA-O 3.49Å; Y467-I490 HydrophobicContact CD2-CB 3.99Å; Y467-I490 HydrophobicContact CD2-CG2 4.18Å; Y467-I490 WeakPolarHBondContact CD2-O 3.26Å; Y467-I490 HydrophobicContact CG-CB 4.48Å; Y467-I490 PolarHBondContact N-O 3.33Å; Y467-I490 PolarHBondContact O-N 3Å; I469-I490 HydrophobicContact CD1-CD1 4Å; I488-I490 HydrophobicContact CG2-CG1 4.06Å; I490-L504 HydrophobicContact CG2-CB 4.28Å; I490-L504 HydrophobicContact CG2-CD1 3.69Å; I490-L504 HydrophobicContact CG2-CD2 4.5Å; I490-L504 HydrophobicContact CG2-CG 4.36Å; I490-F526 HydrophobicContact CD1-CD2 3.9Å; I490-F526 HydrophobicContact CD1-CE2 3.54Å; I490-F526 HydrophobicContact CD1-CZ 4.11Å; I490-F526 HydrophobicContact CG1-CD2 3.84Å; I490-F526 HydrophobicContact CG1-CE2 3.86Å
491A42.7Very low41.5Very low37 Ų3783 Ų8331%0.30645%0.446SS..EExtended strand (participates in β ladder)trans-106.9110.3175.700000109.8E465 V466E465-A491 CarbonylContact O-C 3.59Å; E465-A491 WeakPolarHBondContact O-CA 3.29Å; V466-A491 HydrophobicContact CG2-CB 4.18Å
492D43.6Very low41.7Very low8 Ų880.1 Ų80.14%0.04343%0.43CS..EExtended strand (participates in β ladder)trans-88.3133.3167.3-174.514.2000108.6A464 E465 I500A464-D492 CarbonylContact C-O 3.6Å; A464-D492 WeakPolarHBondContact CA-O 3.31Å; E465-D492 HydrophobicContact CB-CB 4.32Å; E465-D492 PolarHBondContact N-O 2.83Å; E465-D492 PolarHBondContact O-N 3.45Å; D492-I500 WeakPolarHBondContact OD2-CB 3.41Å; D492-I500 PolarHBondContact OD2-N 3.21Å
493V41.1Very low42.1Very low55 Ų5579 Ų7933%0.33342%0.421SS..EExtended strand (participates in β ladder)trans-123.1102.5-179.8-176.40000107.5
494R47.1Very low42.6Very low115 Ų11576.2 Ų76.243%0.43440%0.402SS..  trans-144.1144.1175.3-90.6-162176.7-167.42.6113.7G463 I500G463-R494 PolarHBondContact O-N 3.13Å; R494-I500 HydrophobicContact CG-CD1 4.49Å; R494-I500 VanDerWaalsContact CZ-CD1 3.43Å
495S40.8Very low43.1Very low130 Ų13071.3 Ų71.391%0.90938%0.376SS*.SBendtrans-99.895.4154.361.20000108.6
496G34.6Very low43.7Very low52 Ų5268.5 Ų68.554%0.53636%0.359SS..SBendtrans162.9145.5174.800000112.7H498G496-H498 VanDerWaalsContact C-N 3.3Å; G496-H498 PolarHBondContact O-N 2.72Å
497E43.1Very low44.2Very low195 Ų19564.1 Ų64.191%0.91134%0.343SS*.SBendtrans-7313.4-160.3-72.6-175.3155.700118.1
498H39.8Very low45Very low147 Ų14757.7 Ų57.768%0.68132%0.319SS*.SBendtrans-121.6113176.2-62.8-58.4000111.3G496 I500G496-H498 VanDerWaalsContact C-N 3.3Å; G496-H498 PolarHBondContact O-N 2.72Å; H498-I500 PolarHBondContact O-N 3.32Å
499S43.2Very low45.4Very low60 Ų6058.1 Ų58.142%0.4232%0.32SS..  trans-65118.9178.9175.40000111.3E465 G501E465-S499 WeakPolarHBondContact OE2-CB 3.11Å; E465-S499 PolarHBondContact OE2-OG 3.18Å; S499-G501 PolarHBondContact OG-N 3.24Å
500I47.6Very low45.9Very low28 Ų2860 Ų6014%0.14433%0.325CS..SBendtrans-79.6-12.1171.4-63.4163.1000110.5D492 R494 H498 S502 Y503 L504 I528D492-I500 WeakPolarHBondContact OD2-CB 3.41Å; D492-I500 PolarHBondContact OD2-N 3.21Å; R494-I500 HydrophobicContact CG-CD1 4.49Å; R494-I500 VanDerWaalsContact CZ-CD1 3.43Å; H498-I500 PolarHBondContact O-N 3.32Å; I500-S502 VanDerWaalsContact C-N 3.26Å; I500-S502 PolarHBondContact O-N 3.09Å; I500-Y503 HydrophobicContact CG2-CD1 4.33Å; I500-Y503 CarbonylContact O-C 3.41Å; I500-Y503 WeakPolarHBondContact O-CA 3.33Å; I500-Y503 WeakPolarHBondContact O-CB 3.36Å; I500-Y503 PolarHBondContact O-N 3.05Å; I500-L504 HydrophobicContact CG2-CD1 3.82Å; I500-L504 HydrophobicContact CG2-CG 3.87Å; I500-L504 PolarHBondContact O-N 3.12Å; I500-I528 HydrophobicContact CD1-CG2 4.49Å
501G46.6Very low46.1Very low0 Ų062.2 Ų62.20%034%0.337CS..Hα-helixtrans-46.9-46.3174.500000114.6Y467 S499 Y503 L504 I505Y467-G501 WeakPolarHBondContact OH-CA 3.48Å; S499-G501 PolarHBondContact OG-N 3.24Å; G501-Y503 VanDerWaalsContact C-N 3.32Å; G501-Y503 PolarHBondContact O-N 2.89Å; G501-L504 PolarHBondContact O-N 3.31Å; G501-I505 WeakPolarHBondContact O-CB 3.34Å; G501-I505 VanDerWaalsContact O-CG1 3.27Å; G501-I505 WeakPolarHBondContact O-CG1 3.49Å; G501-I505 PolarHBondContact O-N 2.71Å
502S43.2Very low46.5Very low33 Ų3361.8 Ų61.823%0.23133%0.33CS..Hα-helixtrans-60.7-40.8176.9-56.70000112I500 S506I500-S502 VanDerWaalsContact C-N 3.26Å; I500-S502 PolarHBondContact O-N 3.09Å; S502-S506 WeakPolarHBondContact O-CB 3.32Å; S502-S506 PolarHBondContact O-N 3.03Å
503Y47.1Very low46.7Very low167 Ų16764.2 Ų64.266%0.65535%0.347SS*.Hα-helixtrans-68.3-41.5175.5179.5-94.8000111.9I500 G501 S506 A507I500-Y503 HydrophobicContact CG2-CD1 4.33Å; I500-Y503 CarbonylContact O-C 3.41Å; I500-Y503 WeakPolarHBondContact O-CA 3.33Å; I500-Y503 WeakPolarHBondContact O-CB 3.36Å; I500-Y503 PolarHBondContact O-N 3.05Å; G501-Y503 VanDerWaalsContact C-N 3.32Å; G501-Y503 PolarHBondContact O-N 2.89Å; Y503-S506 PolarHBondContact O-N 2.98Å; Y503-A507 VanDerWaalsContact O-CB 3.3Å; Y503-A507 WeakPolarHBondContact O-CB 3.09Å; Y503-A507 PolarHBondContact O-N 2.83Å
504L49.1Very low47.1Very low8 Ų865 Ų654%0.04236%0.359CS..Hα-helixtrans-67.4-42.2179.3-72.9161.8000112.1I490 I500 G501 F508 F526 I528I490-L504 HydrophobicContact CG2-CB 4.28Å; I490-L504 HydrophobicContact CG2-CD1 3.69Å; I490-L504 HydrophobicContact CG2-CD2 4.5Å; I490-L504 HydrophobicContact CG2-CG 4.36Å; I500-L504 HydrophobicContact CG2-CD1 3.82Å; I500-L504 HydrophobicContact CG2-CG 3.87Å; I500-L504 PolarHBondContact O-N 3.12Å; G501-L504 PolarHBondContact O-N 3.31Å; L504-F508 WeakPolarHBondContact O-CB 3.28Å; L504-F508 PolarHBondContact O-N 2.81Å; L504-F526 HydrophobicContact CD2-CB 4.16Å; L504-F526 HydrophobicContact CD2-CD1 3.9Å; L504-F526 HydrophobicContact CD2-CG 4.17Å; L504-I528 HydrophobicContact CD1-CD1 3.99Å; L504-I528 HydrophobicContact CD1-CG1 4.29Å; L504-I528 HydrophobicContact CD2-CG1 4.2Å
505I50.3Low46.9Very low38 Ų3861.3 Ų61.320%0.19536%0.357CS..Hα-helixtrans-64-44.4172.4-67168000109.6F456 Y467 G501 F508 M509F456-I505 HydrophobicContact CE1-CG2 4.41Å; Y467-I505 HydrophobicContact CD1-CD1 3.79Å; Y467-I505 HydrophobicContact CD1-CG1 4.39Å; Y467-I505 HydrophobicContact CE1-CD1 3.98Å; G501-I505 WeakPolarHBondContact O-CB 3.34Å; G501-I505 VanDerWaalsContact O-CG1 3.27Å; G501-I505 WeakPolarHBondContact O-CG1 3.49Å; G501-I505 PolarHBondContact O-N 2.71Å; I505-F508 WeakPolarHBondContact O-CB 3.36Å; I505-F508 PolarHBondContact O-N 3.49Å; I505-M509 HydrophobicContact CG2-CG 4.39Å; I505-M509 WeakPolarHBondContact O-CB 3.33Å; I505-M509 WeakPolarHBondContact O-CG 3.33Å; I505-M509 PolarHBondContact O-N 3.13Å
506S48Very low46.9Very low24 Ų2461 Ų6117%0.16834%0.342CS..Hα-helixtrans-61-46.8177.4-172.60000112S502 Y503 M509 Q510S502-S506 WeakPolarHBondContact O-CB 3.32Å; S502-S506 PolarHBondContact O-N 3.03Å; Y503-S506 PolarHBondContact O-N 2.98Å; S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.47Å; S506-Q510 WeakPolarHBondContact O-CG 3.39Å; S506-Q510 PolarHBondContact O-N 3.25Å
507A49.8Very low47.4Very low16 Ų1661.7 Ų61.713%0.13233%0.33CS..Hα-helixtrans-66.6-38.917700000112.6Y503 M509 Q510 N511Y503-A507 VanDerWaalsContact O-CB 3.3Å; Y503-A507 WeakPolarHBondContact O-CB 3.09Å; Y503-A507 PolarHBondContact O-N 2.83Å; A507-M509 VanDerWaalsContact C-N 3.34Å; A507-Q510 PolarHBondContact O-N 2.8Å; A507-N511 WeakPolarHBondContact O-CB 3.49Å; A507-N511 PolarHBondContact O-N 2.74Å; A507-N511 PolarHBondContact O-ND2 2.89Å
508F56.6Low47Very low5 Ų559 Ų592%0.02232%0.32CS..Hα-helixtrans-57.4-48.6170.7171.8-108000110.7F456 I469 I488 L504 I505 N511 L512 I524 F526F456-F508 HydrophobicContact CE1-CD1 4.49Å; F456-F508 HydrophobicContact CE1-CE1 4.3Å; F456-F508 HydrophobicContact CZ-CE1 4.28Å; I469-F508 HydrophobicContact CD1-CD1 3.76Å; I469-F508 HydrophobicContact CD1-CD2 4.29Å; I469-F508 HydrophobicContact CD1-CE1 3.59Å; I469-F508 HydrophobicContact CD1-CE2 4.13Å; I469-F508 HydrophobicContact CD1-CG 4.08Å; I469-F508 HydrophobicContact CD1-CZ 3.75Å; I469-F508 HydrophobicContact CG2-CE1 4.04Å; I469-F508 HydrophobicContact CG2-CZ 4.05Å; I488-F508 HydrophobicContact CD1-CE2 3.55Å; I488-F508 HydrophobicContact CD1-CZ 3.92Å; L504-F508 WeakPolarHBondContact O-CB 3.28Å; L504-F508 PolarHBondContact O-N 2.81Å; I505-F508 WeakPolarHBondContact O-CB 3.36Å; I505-F508 PolarHBondContact O-N 3.49Å; F508-N511 PolarHBondContact O-N 2.9Å; F508-L512 HydrophobicContact CD1-CD1 3.76Å; F508-L512 PolarHBondContact O-N 3.24Å; F508-L512 WeakPolarHBondContact O-CB 3.37Å; F508-L512 HydrophobicContact CZ-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 3.11Å; F508-L512 HydrophobicContact CG-CD1 4.14Å; F508-L512 VanDerWaalsContact CE2-CD1 3.48Å; F508-L512 HydrophobicContact CE2-CD1 3.48Å; F508-L512 HydrophobicContact CE1-CD1 3.23Å; F508-L512 HydrophobicContact CD2-CD1 3.98Å; F508-L512 HydrophobicContact CE2-CG 4.44Å; F508-I524 HydrophobicContact CD2-CD1 3.73Å; F508-I524 HydrophobicContact CE2-CD1 3.55Å; F508-F526 HydrophobicContact CG-CZ 4.19Å; F508-F526 HydrophobicContact CD2-CZ 3.85Å; F508-F526 AromaticContact CD2-CZ 3.85Å; F508-F526 HydrophobicContact CD2-CE2 4.42Å; F508-F526 HydrophobicContact CB-CZ 3.68Å; F508-F526 HydrophobicContact CB-CE1 4.21Å
509M51.8Low46.6Very low43 Ų4363 Ų6321%0.21233%0.33CS..Hα-helixtrans-63-42.6177.6-70.2-59.9-176.900111.8F456 I505 S506 A507 L512 C513F456-M509 HydrophobicContact CE1-CE 4.03Å; F456-M509 HydrophobicContact CE2-CE 3.71Å; F456-M509 HydrophobicContact CZ-CE 3.18Å; I505-M509 HydrophobicContact CG2-CG 4.39Å; I505-M509 WeakPolarHBondContact O-CB 3.33Å; I505-M509 WeakPolarHBondContact O-CG 3.33Å; I505-M509 PolarHBondContact O-N 3.13Å; S506-M509 WeakPolarHBondContact O-CB 3.45Å; S506-M509 PolarHBondContact O-N 3.47Å; A507-M509 VanDerWaalsContact C-N 3.34Å; M509-L512 WeakPolarHBondContact O-CB 3.29Å; M509-L512 PolarHBondContact O-N 2.94Å; M509-C513 VanDerWaalsContact O-CB 3.23Å; M509-C513 WeakPolarHBondContact O-CB 3.22Å; M509-C513 PolarHBondContact O-N 2.92Å; M509-C513 PolarHBondContact O-SG 3.33Å
510Q51.3Low45.8Very low90 Ų9069.6 Ų69.642%0.42135%0.351SS..Hα-helixtrans-61.1-46.9176.1-75.1176.1-0.200112.3A443 S506 A507 L512 C513 A514A443-Q510 HydrophobicContact CB-CG 4.19Å; S506-Q510 WeakPolarHBondContact O-CG 3.39Å; S506-Q510 PolarHBondContact O-N 3.25Å; A507-Q510 PolarHBondContact O-N 2.8Å; Q510-L512 PolarHBondContact O-N 3.34Å; Q510-C513 CarbonylContact O-C 3.44Å; Q510-C513 WeakPolarHBondContact O-CB 3.37Å; Q510-C513 PolarHBondContact O-N 3.29Å; Q510-A514 PolarHBondContact O-N 3.25Å
511N51.1Low44.9Very low55 Ų5577.7 Ų77.729%0.29439%0.385SS..Hα-helixtrans-67.7-35.1178.5-72-55.2000112.3A507 F508 Y517A507-N511 WeakPolarHBondContact O-CB 3.49Å; A507-N511 PolarHBondContact O-N 2.74Å; A507-N511 PolarHBondContact O-ND2 2.89Å; F508-N511 PolarHBondContact O-N 2.9Å; N511-Y517 HydrophobicContact CB-CE2 3.51Å
512L51.2Low44.1Very low28 Ų2879.6 Ų79.615%0.14740%0.4CS..Hα-helixtrans-61.5-45168.6-100.4155.5000112.1W448 F508 M509 Q510 A514 G515 Y517W448-L512 HydrophobicContact CZ2-CD2 4Å; F508-L512 HydrophobicContact CD1-CD1 3.76Å; F508-L512 PolarHBondContact O-N 3.24Å; F508-L512 WeakPolarHBondContact O-CB 3.37Å; F508-L512 HydrophobicContact CZ-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 3.11Å; F508-L512 HydrophobicContact CG-CD1 4.14Å; F508-L512 VanDerWaalsContact CE2-CD1 3.48Å; F508-L512 HydrophobicContact CE2-CD1 3.48Å; F508-L512 HydrophobicContact CE1-CD1 3.23Å; F508-L512 HydrophobicContact CD2-CD1 3.98Å; F508-L512 HydrophobicContact CE2-CG 4.44Å; M509-L512 WeakPolarHBondContact O-CB 3.29Å; M509-L512 PolarHBondContact O-N 2.94Å; Q510-L512 PolarHBondContact O-N 3.34Å; L512-A514 PolarHBondContact O-N 2.95Å; L512-A514 VanDerWaalsContact C-N 3.33Å; L512-G515 PolarHBondContact O-N 3.08Å; L512-Y517 HydrophobicContact CG-CD2 4.07Å
513C47.4Very low43.3Very low60 Ų6085.8 Ų85.841%0.40543%0.43SS..Hα-helixtrans-64.6-34178-82.40000113.3C446 M509 Q510 G515C446-C513 HydrophobicContact CB-CB 3.91Å; C446-C513 WeakPolarHBondContact CB-SG 3.39Å; C446-C513 WeakPolarHBondContact SG-CA 3.43Å; C446-C513 WeakPolarHBondContact SG-CB 3.28Å; C446-C513 CovalentContact SG-SG 2.03Å; C446-C513 PolarHBondContact SG-SG 3.46Å; M509-C513 VanDerWaalsContact O-CB 3.23Å; M509-C513 WeakPolarHBondContact O-CB 3.22Å; M509-C513 PolarHBondContact O-N 2.92Å; M509-C513 PolarHBondContact O-SG 3.33Å; Q510-C513 CarbonylContact O-C 3.44Å; Q510-C513 WeakPolarHBondContact O-CB 3.37Å; Q510-C513 PolarHBondContact O-N 3.29Å; C513-G515 PolarHBondContact O-N 2.75Å
514A49.4Very low42.6Very low70 Ų7079.1 Ų79.158%0.57941%0.406SS*.THydrogen-bonded Turntrans-692.1174.500000113.9Q510 L512 M516Q510-A514 PolarHBondContact O-N 3.25Å; L512-A514 PolarHBondContact O-N 2.95Å; L512-A514 VanDerWaalsContact C-N 3.33Å; A514-M516 HydrophobicContact CB-CG 4.07Å; A514-M516 HydrophobicContact CB-SD 4.43Å; A514-M516 PolarHBondContact O-N 2.84Å
515G43.9Very low41.5Very low38 Ų3885.7 Ų85.739%0.39244%0.441SS..THydrogen-bonded Turntrans71.88.8178.100000114.3L512 C513 Y517L512-G515 PolarHBondContact O-N 3.08Å; C513-G515 PolarHBondContact O-N 2.75Å; G515-Y517 PolarHBondContact O-N 2.88Å
516M39.6Very low40.6Very low123 Ų12386.5 Ų86.561%0.60644%0.443SS*.THydrogen-bonded Turntrans-63.9-16.1-175.5-68.3-177.467.300113.8A514A514-M516 HydrophobicContact CB-CG 4.07Å; A514-M516 HydrophobicContact CB-SD 4.43Å; A514-M516 PolarHBondContact O-N 2.84Å
517Y45.1Very low39.5Very low68 Ų6890.8 Ų90.827%0.26747%0.468SS..THydrogen-bonded Turntrans-117.88.9-171.1-56.4-61.6000115.5N511 L512 G515 R519 A522 I524N511-Y517 HydrophobicContact CB-CE2 3.51Å; L512-Y517 HydrophobicContact CG-CD2 4.07Å; G515-Y517 PolarHBondContact O-N 2.88Å; Y517-R519 VanDerWaalsContact C-N 3.28Å; Y517-R519 PolarHBondContact O-N 3.47Å; Y517-A522 HydrophobicContact CD1-CB 3.48Å; Y517-A522 VanDerWaalsContact CD1-CB 3.48Å; Y517-A522 HydrophobicContact CE1-CB 4.07Å; Y517-A522 HydrophobicContact CG-CB 4.34Å; Y517-I524 HydrophobicContact CD1-CD1 4.48Å; Y517-I524 HydrophobicContact CE2-CD1 3.86Å; Y517-I524 HydrophobicContact CE1-CG1 3.96Å; Y517-I524 HydrophobicContact CE1-CD1 4.09Å; Y517-I524 HydrophobicContact CD2-CD1 4.29Å
518L35.2Very low38.5Very low137 Ų13793.5 Ų93.572%0.71748%0.48SS*.SBendtrans-79.8-2.1-178.9-81.1168.4000114.8
519R31.6Very low36.9Very low233 Ų233104 Ų10488%0.87952%0.519SS*.SBendtrans-136.3109.5177.2-65.2-174-179.4-173.70.8110.8Y517Y517-R519 VanDerWaalsContact C-N 3.28Å; Y517-R519 PolarHBondContact O-N 3.47Å
520K27.1Very low35.7Very low197 Ų197111.6 Ų111.686%0.85755%0.546SS*.SBendtrans82.9150.4174.2-55.5178.6177.7177.60115.4A522K520-A522 PolarHBondContact O-N 2.74Å
521K28.5Very low34.6Very low199 Ų199118.4 Ų118.487%0.86559%0.585SS**  trans-4597.6-179.1-66.8172.3176.1177.20111.3
522A29.1Very low33.7Very low39 Ų39121.6 Ų121.632%0.32260%0.599SS.*  trans-87.9117169.300000109.7Y517 K520 I524Y517-A522 HydrophobicContact CD1-CB 3.48Å; Y517-A522 VanDerWaalsContact CD1-CB 3.48Å; Y517-A522 HydrophobicContact CE1-CB 4.07Å; Y517-A522 HydrophobicContact CG-CB 4.34Å; K520-A522 PolarHBondContact O-N 2.74Å; A522-I524 HydrophobicContact CB-CG1 4.42Å
523L27.4Very low32.8Very low163 Ų163126.5 Ų126.585%0.85362%0.623SS**  trans-80.6129.7146.9-100.1130.6000105.5
524I30.7Very low32Very low28 Ų28130.2 Ų130.214%0.14464%0.635CS.*  trans-105.8105.9176-56.5177.9000106.7I488 F508 Y517 A522 F526I488-I524 HydrophobicContact CD1-CD1 4.19Å; F508-I524 HydrophobicContact CD2-CD1 3.73Å; F508-I524 HydrophobicContact CE2-CD1 3.55Å; Y517-I524 HydrophobicContact CD1-CD1 4.48Å; Y517-I524 HydrophobicContact CE2-CD1 3.86Å; Y517-I524 HydrophobicContact CE1-CG1 3.96Å; Y517-I524 HydrophobicContact CE1-CD1 4.09Å; Y517-I524 HydrophobicContact CD2-CD1 4.29Å; A522-I524 HydrophobicContact CB-CG1 4.42Å; I524-F526 HydrophobicContact CB-CE2 4.16Å; I524-F526 HydrophobicContact CG2-CD2 3.89Å; I524-F526 HydrophobicContact CG2-CE1 4.1Å; I524-F526 HydrophobicContact CG2-CE2 3.37Å; I524-F526 HydrophobicContact CG2-CG 4.44Å; I524-F526 HydrophobicContact CG2-CZ 3.48Å; I524-F526 VanDerWaalsContact CG2-CZ 3.48Å
525D27.1Very low31Very low145 Ų145133.7 Ų133.778%0.77564%0.638SS**  trans-86.6114.7166.5-81-35.9000108.5
526F31Very low30.2Very low55 Ų55139.7 Ų139.724%0.24165%0.654CS.*  trans-86.1122.4168.1-67.8-85.9000108.8I488 I490 L504 F508 I524I488-F526 HydrophobicContact CG2-CE2 4.47Å; I490-F526 HydrophobicContact CD1-CD2 3.9Å; I490-F526 HydrophobicContact CD1-CE2 3.54Å; I490-F526 HydrophobicContact CD1-CZ 4.11Å; I490-F526 HydrophobicContact CG1-CD2 3.84Å; I490-F526 HydrophobicContact CG1-CE2 3.86Å; L504-F526 HydrophobicContact CD2-CB 4.16Å; L504-F526 HydrophobicContact CD2-CD1 3.9Å; L504-F526 HydrophobicContact CD2-CG 4.17Å; F508-F526 HydrophobicContact CG-CZ 4.19Å; F508-F526 HydrophobicContact CD2-CZ 3.85Å; F508-F526 AromaticContact CD2-CZ 3.85Å; F508-F526 HydrophobicContact CD2-CE2 4.42Å; F508-F526 HydrophobicContact CB-CZ 3.68Å; F508-F526 HydrophobicContact CB-CE1 4.21Å; I524-F526 HydrophobicContact CB-CE2 4.16Å; I524-F526 HydrophobicContact CG2-CD2 3.89Å; I524-F526 HydrophobicContact CG2-CE1 4.1Å; I524-F526 HydrophobicContact CG2-CE2 3.37Å; I524-F526 HydrophobicContact CG2-CG 4.44Å; I524-F526 HydrophobicContact CG2-CZ 3.48Å; I524-F526 VanDerWaalsContact CG2-CZ 3.48Å
527T24.7Very low29.5Very low115 Ų115140.8 Ų140.871%0.70666%0.657SS**  trans-100.7109.2165.1-58.20000108.2R529T527-R529 PolarHBondContact O-N 2.71Å
528I28.7Very low28.4Very low72 Ų72146 Ų14637%0.36969%0.685SS.*  trans-73.3111.3175.3-59.7170.6000107.6I500 L504I500-I528 HydrophobicContact CD1-CG2 4.49Å; L504-I528 HydrophobicContact CD1-CD1 3.99Å; L504-I528 HydrophobicContact CD1-CG1 4.29Å; L504-I528 HydrophobicContact CD2-CG1 4.2Å
529R23.4Very low27.9Very low227 Ų227146.7 Ų146.786%0.85768%0.682SS**  trans-89.5128.1168.2-75.1-172.1178.7-179.10.6109.5T527T527-R529 PolarHBondContact O-N 2.71Å
530R26Very low27.6Very low202 Ų202139.5 Ų139.576%0.76267%0.666SS**  trans-86.8128.6171-157.6179.9-170.1177.23.4107.2
531N27.8Very low27.7Very low232 Ų232134.3 Ų134.3100%1.24165%0.649SS**  trans-830152.2-83.3-9.4000108

Retrieved 531 of 531 residues in 740.4 ms (Link to these results)

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