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Platelet-activating factor acetylhydrolase

AlphaFold DB , UniProt , Accession A0A096N523, Species PAPAN (Papio anubis, Olive baboon), Gene PAFAH2, Length 392 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
1M29Very low53.6Low240 Ų24094.7 Ų94.7100%1.18259%0.593SS**  01010-74.6-170.1-91.100107V3M1-V3 PolarHBondContact O-N 3.49Å
2G30.2Very low56.9Low81 Ų8191.2 Ų91.284%0.83557%0.57SS**  trans-74.3116.8-175.900000109.8S4G2-S4 PolarHBondContact O-N 3.21Å; G2-S4 VanDerWaalsContact O-N 3.08Å
3V28.2Very low59.7Low128 Ų12890.8 Ų90.878%0.77657%0.567SS**  trans-68.1106.3169.7-175.40000106.3M1 Q5M1-V3 PolarHBondContact O-N 3.49Å; V3-Q5 HydrophobicContact CG1-CG 4.39Å; V3-Q5 PolarHBondContact O-N 3.3Å
4S28.6Very low62.2Low112 Ų11285.2 Ų85.278%0.78354%0.536SS*.  trans-64.490.9163.5173.90000106.7G2 S6G2-S4 PolarHBondContact O-N 3.21Å; G2-S4 VanDerWaalsContact O-N 3.08Å; S4-S6 PolarHBondContact O-N 3.1Å
5Q36Very low64.4Low127 Ų12786.6 Ų86.659%0.59355%0.546SS*.  trans-65.9103.9165.7-79.3-178.5-13.100106.6V3 V7V3-Q5 HydrophobicContact CG1-CG 4.39Å; V3-Q5 PolarHBondContact O-N 3.3Å; Q5-V7 PolarHBondContact O-N 3.38Å; Q5-V7 VanDerWaalsContact O-N 3.07Å
6S40Very low66.5Low101 Ų10183.3 Ų83.371%0.70652%0.521SS*.  trans-60.5110.7168.555.60000107.7S4 G8S4-S6 PolarHBondContact O-N 3.1Å; S6-G8 PolarHBondContact O-N 3.08Å
7V55.5Low68.2Low83 Ų8383.7 Ų83.750%0.50352%0.519SS..  trans-51.9120.7177.1178.10000109.3Q5 F322Q5-V7 PolarHBondContact O-N 3.38Å; Q5-V7 VanDerWaalsContact O-N 3.07Å; V7-F322 WeakPolarHBondContact CG1-O 3.42Å
8G79.8Confident69.9Low25 Ų2579.4 Ų79.426%0.25849%0.492SS..  trans-178.4167.1-174.200000112.5S6 F322 Y343S6-G8 PolarHBondContact O-N 3.08Å; G8-F322 PolarHBondContact N-O 3.03Å; G8-Y343 PolarHBondContact N-OH 3Å; G8-Y343 PolarHBondContact O-OH 3.49Å
9F88.1Confident71.3Confident26 Ų2675.3 Ų75.311%0.11447%0.466CS..PPolyproline II helixtrans-55.4139.1178.3-77.5-81.7000111.8W52 L86 P87 A119 M122 D319 V323F9-W52 HydrophobicContact CE2-CB 3.99Å; F9-W52 AromaticContact CE2-CD2 4Å; F9-W52 HydrophobicContact CE2-CD2 4Å; F9-W52 HydrophobicContact CE2-CE3 4.35Å; F9-W52 AromaticContact CE2-CG 3.82Å; F9-W52 HydrophobicContact CE2-CG 3.82Å; F9-W52 HydrophobicContact CZ-CB 4.15Å; F9-W52 AromaticContact CZ-CD1 3.53Å; F9-W52 AromaticContact CZ-CD2 3.59Å; F9-W52 HydrophobicContact CZ-CD2 3.59Å; F9-W52 AromaticContact CZ-CE2 3.73Å; F9-W52 HydrophobicContact CZ-CE3 4.25Å; F9-W52 AromaticContact CZ-CG 3.5Å; F9-W52 HydrophobicContact CZ-CG 3.5Å; F9-W52 HydrophobicContact CZ-CZ2 4.48Å; F9-W52 AromaticContact CZ-NE1 3.63Å; F9-L86 HydrophobicContact CD1-CD2 3.98Å; F9-L86 HydrophobicContact CD2-CD2 3.8Å; F9-L86 HydrophobicContact CE1-CD2 3.71Å; F9-L86 HydrophobicContact CE2-CD2 3.54Å; F9-L86 HydrophobicContact CG-CD2 4.03Å; F9-L86 HydrophobicContact CZ-CD2 3.5Å; F9-P87 HydrophobicContact CB-CG 4.31Å; F9-A119 HydrophobicContact CD1-CB 4.34Å; F9-M122 HydrophobicContact CB-CE 4.16Å; F9-M122 HydrophobicContact CD1-CE 3.87Å; F9-M122 HydrophobicContact CG-CE 4.27Å; F9-D319 HydrophobicContact CE1-CB 3.74Å; F9-D319 VanDerWaalsContact CE1-CG 3.5Å; F9-D319 HydrophobicContact CZ-CB 4.05Å; F9-V323 HydrophobicContact CD2-CG2 4.48Å; F9-V323 HydrophobicContact CE2-CG2 3.8Å; F9-V323 HydrophobicContact CZ-CG2 3.86Å
10P87.8Confident72.6Confident15 Ų1571.5 Ų71.510%0.09744%0.443CS..PPolyproline II helixtrans-58.9140.4176.911.1-16000110.7A119 F322 Y343P10-A119 HydrophobicContact CG-CB 4.01Å; P10-F322 HydrophobicContact CG-CD1 4.27Å; P10-F322 HydrophobicContact CG-CE1 4.04Å; P10-F322 HydrophobicContact CG-CE2 4.4Å; P10-F322 HydrophobicContact CG-CZ 4.14Å; P10-Y343 HydrophobicContact CB-CD1 3.89Å; P10-Y343 HydrophobicContact CB-CE1 4.12Å; P10-Y343 HydrophobicContact CG-CD1 4.46Å
11P86.3Confident73.8Confident104 Ų10468.1 Ų68.168%0.67542%0.422SS*.PPolyproline II helixtrans-61.9143.3164.729.5-33.3000108.9
12V93.5Very high77.1Confident52 Ų5257.2 Ų57.232%0.31537%0.368SS..PPolyproline II helixtrans-72.3146.4171.6-63.20000110.3V18 M122 E123V12-V18 HydrophobicContact CG1-CG2 4.35Å; V12-V18 HydrophobicContact CG2-CG2 4.46Å; V12-M122 HydrophobicContact CG1-CB 3.68Å; V12-E123 VanDerWaalsContact CA-OE2 3.31Å; V12-E123 WeakPolarHBondContact CA-OE2 3.48Å
13T93.7Very high80.3Confident86 Ų8653.3 Ų53.353%0.52833%0.329SS..  trans-112.1-10.5-176.368.90000113.3E123 R127T13-E123 PolarHBondContact N-OE2 2.79Å; T13-E123 PolarHBondContact OG1-OE1 2.94Å; T13-E123 PolarHBondContact OG1-OE2 2.59Å; T13-R127 PolarHBondContact OG1-NH2 3.16Å
14G94.9Very high83.6Confident13 Ų1347.2 Ų47.213%0.13429%0.292CS..SBendtrans-72163.1174.400000113.4H16 S126G14-H16 VanDerWaalsContact C-N 3.27Å; G14-H16 PolarHBondContact O-N 3.27Å; G14-S126 CarbonylContact C-O 3.31Å; G14-S126 VanDerWaalsContact C-O 3.31Å; G14-S126 WeakPolarHBondContact CA-O 3.41Å; G14-S126 VanDerWaalsContact CA-OG 3.29Å; G14-S126 WeakPolarHBondContact CA-OG 3.23Å; G14-S126 PolarHBondContact N-OG 2.84Å; G14-S126 VanDerWaalsContact N-OG 3.13Å
15P95.4Very high86.8Confident106 Ų10645 Ų4569%0.68827%0.269SS*.SBendtrans-76.4-10.7-173.530.4-35.8000114.2S126P15-S126 VanDerWaalsContact CD-O 3.28Å; P15-S126 WeakPolarHBondContact CD-O 3.28Å
16H96.6Very high89.5Confident33 Ų3339.8 Ų39.815%0.15325%0.249CC..SBendtrans-95.5137.1-179.2-61-98.7000111.4G14 P39 K95 S126G14-H16 VanDerWaalsContact C-N 3.27Å; G14-H16 PolarHBondContact O-N 3.27Å; H16-P39 HydrophobicContact CB-CB 4.08Å; H16-K95 PolarHBondContact CE1-NZ 3.45Å; H16-K95 PolarHBondContact ND1-NZ 2.86Å; H16-S126 WeakPolarHBondContact CB-O 3.49Å; H16-S126 PolarHBondContact CD2-O 2.74Å; H16-S126 VanDerWaalsContact CD2-O 3.27Å; H16-S126 PolarHBondContact N-O 2.82Å; H16-S126 WeakPolarHBondContact O-CA 3.19Å; H16-S126 WeakPolarHBondContact O-CB 3.28Å
17L96.6Very high91.8Very high91 Ų9138.7 Ų38.748%0.47623%0.233SC..EExtended strand (participates in β ladder)trans-63153.9159.2-62.2175.5000109C40 K42L17-C40 HydrophobicContact CB-CB 4.44Å; L17-C40 PolarHBondContact O-N 3.26Å; L17-K42 HydrophobicContact CD1-CB 3.78Å; L17-K42 HydrophobicContact CD1-CG 4.08Å
18V97.8Very high93.4Very high7 Ų738.7 Ų38.74%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-117.1129.9-174.2-179.40000110.5V12 F37 Y38 V88 S89 M122 A125V12-V18 HydrophobicContact CG1-CG2 4.35Å; V12-V18 HydrophobicContact CG2-CG2 4.46Å; V18-F37 HydrophobicContact CG1-CB 4.49Å; V18-F37 HydrophobicContact CG1-CD1 4.26Å; V18-Y38 WeakPolarHBondContact CA-O 3.12Å; V18-V88 HydrophobicContact CB-CB 4.39Å; V18-V88 HydrophobicContact CB-CG1 3.79Å; V18-V88 HydrophobicContact CG1-CB 4.3Å; V18-V88 HydrophobicContact CG1-CG1 3.73Å; V18-V88 WeakPolarHBondContact O-CB 3.35Å; V18-S89 PolarHBondContact O-N 3.16Å; V18-M122 WeakPolarHBondContact CG2-O 3.25Å; V18-A125 HydrophobicContact CG1-CB 3.8Å; V18-A125 HydrophobicContact CG2-CB 4.16Å
19G97.1Very high93.8Very high0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-101.9154.6169.200000110.3F37 Y38 C40 S89G19-F37 WeakPolarHBondContact O-CA 3.46Å; G19-Y38 PolarHBondContact N-O 3.24Å; G19-Y38 PolarHBondContact O-N 3.07Å; G19-C40 VanDerWaalsContact N-CB 3.26Å; G19-S89 CarbonylContact C-O 3.39Å; G19-S89 VanDerWaalsContact CA-O 3.25Å; G19-S89 WeakPolarHBondContact CA-O 3.36Å
20C97.3Very high93.9Very high0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-140.8143.4176.7174.70000110.2R35 L36 F37 P50 V88 S89 W90 N91C20-R35 WeakPolarHBondContact SG-CD 3.29Å; C20-L36 CarbonylContact C-O 3.58Å; C20-L36 WeakPolarHBondContact CA-O 3.49Å; C20-F37 HydrophobicContact CB-CD1 4.06Å; C20-F37 HydrophobicContact CB-CE1 4.11Å; C20-P50 HydrophobicContact CB-CG 4.33Å; C20-V88 HydrophobicContact CB-CG2 3.66Å; C20-S89 PolarHBondContact N-O 3.11Å; C20-W90 CarbonylContact O-C 3.59Å; C20-W90 WeakPolarHBondContact O-CA 3.45Å; C20-N91 PolarHBondContact O-N 2.92Å
21G97.7Very high94.2Very high0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-157.8149.2175.700000112.4R35 L36 N91G21-R35 WeakPolarHBondContact O-CA 3.49Å; G21-L36 PolarHBondContact N-O 2.91Å; G21-L36 PolarHBondContact O-N 3.48Å; G21-N91 WeakPolarHBondContact CA-OD1 2.97Å
22D98.2Very high94.7Very high11 Ų1140.3 Ų40.36%0.05923%0.225CC..EExtended strand (participates in β ladder)trans-97.9144.8174.4-75.4-30.1000111.1F33 R35 W90 R114 N210 L212 L216D22-F33 HydrophobicContact CB-CE2 4.45Å; D22-R35 VanDerWaalsContact OD1-CB 3.26Å; D22-R35 WeakPolarHBondContact OD1-CB 3.17Å; D22-R35 IonicContact OD1-CZ 2.74Å; D22-R35 IonicContact OD1-NE 2.81Å; D22-R35 PolarHBondContact OD1-NE 3.1Å; D22-R35 IonicContact OD1-NH2 3.67Å; D22-R35 PolarHBondContact OD1-NH2 3.35Å; D22-R35 IonicContact OD2-CZ 3.74Å; D22-R35 IonicContact OD2-NE 3.75Å; D22-R35 IonicContact OD2-NH2 2.85Å; D22-R35 PolarHBondContact OD2-NH2 2.83Å; D22-W90 HydrophobicContact CB-CH2 3.84Å; D22-W90 VanDerWaalsContact N-CH2 3.32Å; D22-R114 VanDerWaalsContact CG-NE 3.32Å; D22-R114 IonicContact OD1-CZ 3.83Å; D22-R114 IonicContact OD1-NE 3.71Å; D22-R114 PolarHBondContact OD1-NE 2.77Å; D22-R114 IonicContact OD1-NH2 3.73Å; D22-R114 IonicContact OD2-CZ 3.82Å; D22-R114 IonicContact OD2-NE 3.4Å; D22-R114 PolarHBondContact OD2-NE 3.19Å; D22-R114 IonicContact OD2-NH2 3.04Å; D22-R114 PolarHBondContact OD2-NH2 3.22Å; D22-N210 PolarHBondContact O-ND2 3.13Å; D22-L212 HydrophobicContact CB-CD1 3.8Å; D22-L216 PolarHBondContact O-N 3.22Å; D22-L216 VanDerWaalsContact O-N 3.13Å
23V98.1Very high94.9Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-133.2123.9-178.9179.20000109.4F33 F34 L36 L216 L218V23-F33 WeakPolarHBondContact O-CA 3.29Å; V23-F33 WeakPolarHBondContact O-CD2 3.46Å; V23-F34 HydrophobicContact CB-CD1 4.26Å; V23-F34 HydrophobicContact CB-CD2 4.23Å; V23-F34 HydrophobicContact CB-CE1 3.87Å; V23-F34 HydrophobicContact CB-CE2 3.84Å; V23-F34 HydrophobicContact CB-CG 4.43Å; V23-F34 HydrophobicContact CB-CZ 3.66Å; V23-F34 HydrophobicContact CG1-CD1 4.38Å; V23-F34 HydrophobicContact CG1-CE1 3.59Å; V23-F34 HydrophobicContact CG1-CE2 4.19Å; V23-F34 HydrophobicContact CG1-CZ 3.49Å; V23-F34 VanDerWaalsContact CG1-CZ 3.49Å; V23-F34 HydrophobicContact CG2-CE2 4.03Å; V23-F34 HydrophobicContact CG2-CZ 4.15Å; V23-F34 PolarHBondContact N-O 3.35Å; V23-F34 PolarHBondContact O-N 2.77Å; V23-L36 HydrophobicContact CG2-CD1 4.18Å; V23-L216 HydrophobicContact CG2-CB 4.07Å; V23-L216 HydrophobicContact CG2-CD2 4.45Å; V23-L218 HydrophobicContact CG1-CD1 3.73Å; V23-L218 HydrophobicContact CG1-CD2 4.23Å; V23-L218 HydrophobicContact CG1-CG 4.11Å; V23-L218 HydrophobicContact CG2-CD2 3.74Å; V23-L218 HydrophobicContact CG2-CG 4.12Å
24M97.8Very high95.2Very high0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-117.9122.4164.9-168.1176-68.900109.2S32 F33 Y145 C147 N210 I211 L212M24-S32 CarbonylContact C-O 3.58Å; M24-S32 VanDerWaalsContact CA-O 3.31Å; M24-S32 WeakPolarHBondContact CA-O 3.31Å; M24-F33 HydrophobicContact CB-CD2 4.1Å; M24-F33 HydrophobicContact CE-CB 4.19Å; M24-F33 HydrophobicContact CE-CD1 3.57Å; M24-F33 HydrophobicContact CE-CD2 3.75Å; M24-F33 HydrophobicContact CE-CE1 3.63Å; M24-F33 HydrophobicContact CE-CE2 3.85Å; M24-F33 HydrophobicContact CE-CG 3.6Å; M24-F33 HydrophobicContact CE-CZ 3.74Å; M24-F33 HydrophobicContact CG-CB 4.48Å; M24-F33 HydrophobicContact CG-CD2 4.49Å; M24-Y145 HydrophobicContact CE-CD2 3.96Å; M24-Y145 HydrophobicContact CE-CE2 3.63Å; M24-C147 HydrophobicContact SD-CB 4.21Å; M24-N210 PolarHBondContact N-OD1 3.34Å; M24-N210 WeakPolarHBondContact O-CA 3.46Å; M24-N210 PolarHBondContact O-OD1 3Å; M24-I211 HydrophobicContact CB-CD1 4.4Å; M24-I211 HydrophobicContact CB-CG1 3.82Å; M24-I211 HydrophobicContact CG-CD1 3.88Å; M24-I211 HydrophobicContact CG-CG1 3.87Å; M24-I211 WeakPolarHBondContact O-CG1 3.42Å; M24-I211 PolarHBondContact O-N 3.01Å; M24-I211 HydrophobicContact SD-CD1 3.83Å; M24-I211 HydrophobicContact SD-CG1 4.11Å; M24-L212 HydrophobicContact CB-CD1 3.89Å; M24-L212 HydrophobicContact CB-CD2 4.02Å; M24-L212 HydrophobicContact CB-CG 3.62Å; M24-L212 HydrophobicContact CE-CD2 4.18Å; M24-L212 HydrophobicContact SD-CD2 4.47Å
25E95.6Very high95.4Very high66 Ų6633.3 Ų33.331%0.30818%0.179SC..EExtended strand (participates in β ladder)trans-113.6131.1176.9-174.1-7313300108.1G31 S32 I198 V208E25-G31 CarbonylContact O-C 3.55Å; E25-G31 WeakPolarHBondContact O-CA 3.48Å; E25-S32 PolarHBondContact N-O 2.84Å; E25-S32 PolarHBondContact O-N 3.34Å; E25-I198 HydrophobicContact CB-CD1 3.83Å; E25-I198 HydrophobicContact CG-CD1 3.95Å; E25-I198 HydrophobicContact CG-CG1 4.35Å; E25-V208 HydrophobicContact CB-CG1 4.32Å; E25-V208 HydrophobicContact CG-CG1 3.57Å
26G91.1Very high95.5Very high17 Ų1728.2 Ų28.218%0.17515%0.146CC..SBendtrans84.1139.1-17900000115N28 I211G26-N28 PolarHBondContact O-N 2.9Å; G26-I211 VanDerWaalsContact O-CD1 3.3Å; G26-I211 WeakPolarHBondContact O-CD1 3.39Å
27Q88.2Confident95.6Very high78 Ų7826.7 Ų26.736%0.36414%0.139SC..SBendtrans-96.439.3-176.9-60.7176.9-0.100113C147 Q149 L161 I211Q27-C147 CarbonylContact C-O 3.58Å; Q27-C147 WeakPolarHBondContact CA-O 3.36Å; Q27-Q149 VanDerWaalsContact OE1-NE2 3.09Å; Q27-L161 HydrophobicContact CG-CD2 4.13Å; Q27-I211 HydrophobicContact CG-CD1 4.06Å; Q27-I211 HydrophobicContact CG-CG2 4.28Å
28N89.1Confident95.7Very high83 Ų8322.3 Ų22.344%0.44412%0.116SC..SBendtrans-155.6175.6-179.762.557.3000111.3G26 Q30 G31 R137G26-N28 PolarHBondContact O-N 2.9Å; N28-Q30 PolarHBondContact O-N 3.32Å; N28-Q30 WeakPolarHBondContact OD1-CA 3.4Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.34Å; N28-Q30 PolarHBondContact OD1-N 2.8Å; N28-G31 PolarHBondContact O-N 3.41Å; N28-G31 VanDerWaalsContact O-N 3.07Å; N28-G31 PolarHBondContact OD1-N 2.85Å; N28-G31 VanDerWaalsContact OD1-N 3.11Å; N28-R137 PolarHBondContact O-NH1 2.8Å
29L88.1Confident95.7Very high76 Ų7622 Ų2240%0.39811%0.114SC..THydrogen-bonded Turntrans-57-32.2179.9-173.866.1000113.6G31 R137 F146 I166L29-G31 VanDerWaalsContact C-N 3.32Å; L29-R137 HydrophobicContact CD1-CB 4.34Å; L29-R137 VanDerWaalsContact O-CD 3.23Å; L29-R137 WeakPolarHBondContact O-CD 3.23Å; L29-R137 PolarHBondContact O-NH1 3.39Å; L29-F146 HydrophobicContact CD1-CD1 4.26Å; L29-F146 HydrophobicContact CD1-CE1 4.27Å; L29-I166 HydrophobicContact CD1-CD1 3.28Å
30Q90.4Very high95.6Very high117 Ų11722.1 Ų22.155%0.54712%0.115SC..THydrogen-bonded Turntrans-81.7-11.1-179.1-58.8-58.6-3200113.7N28 R194N28-Q30 PolarHBondContact O-N 3.32Å; N28-Q30 WeakPolarHBondContact OD1-CA 3.4Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.34Å; N28-Q30 PolarHBondContact OD1-N 2.8Å; Q30-R194 PolarHBondContact O-NE 3.41Å; Q30-R194 VanDerWaalsContact O-NE 3.08Å; Q30-R194 PolarHBondContact O-NH2 2.97Å
31G93.8Very high95.5Very high5 Ų526.4 Ų26.45%0.05214%0.135CC..SBendtrans-56.7169.5170.900000113E25 N28 L29 R137E25-G31 CarbonylContact O-C 3.55Å; E25-G31 WeakPolarHBondContact O-CA 3.48Å; N28-G31 PolarHBondContact O-N 3.41Å; N28-G31 VanDerWaalsContact O-N 3.07Å; N28-G31 PolarHBondContact OD1-N 2.85Å; N28-G31 VanDerWaalsContact OD1-N 3.11Å; L29-G31 VanDerWaalsContact C-N 3.32Å; G31-R137 PolarHBondContact O-NH1 2.98Å
32S97.8Very high95Very high5 Ų535 Ų354%0.03517%0.173CC..EExtended strand (participates in β ladder)trans-106.6141.2179.9-57.30000110.5M24 E25 I198M24-S32 CarbonylContact C-O 3.58Å; M24-S32 VanDerWaalsContact CA-O 3.31Å; M24-S32 WeakPolarHBondContact CA-O 3.31Å; E25-S32 PolarHBondContact N-O 2.84Å; E25-S32 PolarHBondContact O-N 3.34Å; S32-I198 VanDerWaalsContact CB-CD1 3.46Å; S32-I198 WeakPolarHBondContact OG-CD1 3.44Å
33F98.6Very high94.2Very high3 Ų335.9 Ų35.91%0.01318%0.181CC..EExtended strand (participates in β ladder)trans-133.4122.5173.1-172.9-163.5000108.6D22 V23 M24 R114 P134 E135 Y145 L212D22-F33 HydrophobicContact CB-CE2 4.45Å; V23-F33 WeakPolarHBondContact O-CA 3.29Å; V23-F33 WeakPolarHBondContact O-CD2 3.46Å; M24-F33 HydrophobicContact CB-CD2 4.1Å; M24-F33 HydrophobicContact CE-CB 4.19Å; M24-F33 HydrophobicContact CE-CD1 3.57Å; M24-F33 HydrophobicContact CE-CD2 3.75Å; M24-F33 HydrophobicContact CE-CE1 3.63Å; M24-F33 HydrophobicContact CE-CE2 3.85Å; M24-F33 HydrophobicContact CE-CG 3.6Å; M24-F33 HydrophobicContact CE-CZ 3.74Å; M24-F33 HydrophobicContact CG-CB 4.48Å; M24-F33 HydrophobicContact CG-CD2 4.49Å; F33-R114 VanDerWaalsContact CE2-CZ 3.49Å; F33-P134 CarbonylContact O-C 3.58Å; F33-E135 HydrophobicContact CB-CB 4.42Å; F33-E135 HydrophobicContact CD1-CB 4.05Å; F33-E135 HydrophobicContact CD1-CG 4.49Å; F33-E135 HydrophobicContact CG-CB 4.34Å; F33-E135 PolarHBondContact O-N 3.08Å; F33-Y145 AromaticContact CE1-CD1 3.84Å; F33-Y145 HydrophobicContact CE1-CD1 3.84Å; F33-Y145 AromaticContact CE1-CE1 3.4Å; F33-Y145 HydrophobicContact CE1-CE1 3.4Å; F33-Y145 VanDerWaalsContact CE1-CE1 3.4Å; F33-Y145 AromaticContact CE1-CZ 3.8Å; F33-Y145 HydrophobicContact CZ-CD1 4.46Å; F33-Y145 AromaticContact CZ-CE1 3.59Å; F33-Y145 HydrophobicContact CZ-CE1 3.59Å; F33-Y145 AromaticContact CZ-CZ 3.63Å; F33-Y145 WeakPolarHBondContact CZ-OH 3.47Å; F33-L212 HydrophobicContact CD2-CD1 4.45Å; F33-L212 HydrophobicContact CE2-CD1 3.77Å
34F98.8Very high93Very high0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-153.2157-176.960.1-83.7000112.4V23 L36 A132 V133 V195 I198 L199 L218V23-F34 HydrophobicContact CB-CD1 4.26Å; V23-F34 HydrophobicContact CB-CD2 4.23Å; V23-F34 HydrophobicContact CB-CE1 3.87Å; V23-F34 HydrophobicContact CB-CE2 3.84Å; V23-F34 HydrophobicContact CB-CG 4.43Å; V23-F34 HydrophobicContact CB-CZ 3.66Å; V23-F34 HydrophobicContact CG1-CD1 4.38Å; V23-F34 HydrophobicContact CG1-CE1 3.59Å; V23-F34 HydrophobicContact CG1-CE2 4.19Å; V23-F34 HydrophobicContact CG1-CZ 3.49Å; V23-F34 VanDerWaalsContact CG1-CZ 3.49Å; V23-F34 HydrophobicContact CG2-CE2 4.03Å; V23-F34 HydrophobicContact CG2-CZ 4.15Å; V23-F34 PolarHBondContact N-O 3.35Å; V23-F34 PolarHBondContact O-N 2.77Å; F34-L36 HydrophobicContact CD2-CD1 4.45Å; F34-L36 HydrophobicContact CD2-CD2 4.33Å; F34-L36 HydrophobicContact CD2-CG 3.92Å; F34-L36 HydrophobicContact CE2-CD1 3.79Å; F34-L36 HydrophobicContact CE2-CD2 4.14Å; F34-L36 HydrophobicContact CE2-CG 3.73Å; F34-A132 HydrophobicContact CD2-CB 4.26Å; F34-V133 CarbonylContact C-O 3.57Å; F34-V133 WeakPolarHBondContact CA-O 3.4Å; F34-V133 WeakPolarHBondContact CB-O 3.4Å; F34-V195 HydrophobicContact CB-CG1 4.43Å; F34-V195 HydrophobicContact CB-CG2 4.21Å; F34-V195 HydrophobicContact CD1-CB 4.46Å; F34-V195 HydrophobicContact CD1-CG1 4.03Å; F34-V195 HydrophobicContact CD1-CG2 3.71Å; F34-V195 HydrophobicContact CD2-CG1 3.99Å; F34-V195 HydrophobicContact CE1-CG1 4.21Å; F34-V195 HydrophobicContact CE1-CG2 4.29Å; F34-V195 HydrophobicContact CE2-CG1 4.16Å; F34-V195 HydrophobicContact CG-CG1 3.91Å; F34-V195 HydrophobicContact CG-CG2 4.08Å; F34-V195 HydrophobicContact CZ-CG1 4.26Å; F34-I198 HydrophobicContact CE1-CD1 4.22Å; F34-I198 HydrophobicContact CE1-CG2 4.3Å; F34-I198 HydrophobicContact CZ-CG2 4.04Å; F34-L199 HydrophobicContact CE2-CD2 4.34Å; F34-L218 HydrophobicContact CZ-CD2 4.48Å
35R98.8Very high92Very high1 Ų153.5 Ų53.50%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-103.1136.8170.7178.9160.7-76.6-162.4-3.2109.5C20 G21 D22 F37 R114 T115 A132 V133C20-R35 WeakPolarHBondContact SG-CD 3.29Å; G21-R35 WeakPolarHBondContact O-CA 3.49Å; D22-R35 VanDerWaalsContact OD1-CB 3.26Å; D22-R35 WeakPolarHBondContact OD1-CB 3.17Å; D22-R35 IonicContact OD1-CZ 2.74Å; D22-R35 IonicContact OD1-NE 2.81Å; D22-R35 PolarHBondContact OD1-NE 3.1Å; D22-R35 IonicContact OD1-NH2 3.67Å; D22-R35 PolarHBondContact OD1-NH2 3.35Å; D22-R35 IonicContact OD2-CZ 3.74Å; D22-R35 IonicContact OD2-NE 3.75Å; D22-R35 IonicContact OD2-NH2 2.85Å; D22-R35 PolarHBondContact OD2-NH2 2.83Å; R35-F37 HydrophobicContact CG-CD2 4.14Å; R35-F37 HydrophobicContact CG-CE2 3.65Å; R35-F37 HydrophobicContact CG-CZ 4.17Å; R35-R114 HydrophobicContact CB-CB 4.25Å; R35-R114 HydrophobicContact CB-CG 3.99Å; R35-T115 VanDerWaalsContact CZ-CG2 3.42Å; R35-A132 CarbonylContact O-C 3.59Å; R35-A132 WeakPolarHBondContact O-CA 3.39Å; R35-V133 HydrophobicContact CB-CB 4.46Å; R35-V133 PolarHBondContact N-O 3.21Å; R35-V133 PolarHBondContact O-N 3.13Å
36L98.6Very high91.2Very high0 Ų057.4 Ų57.40%029%0.292CS..EExtended strand (participates in β ladder)trans-104.9138.6171.3-76.5166.7000110.5C20 G21 V23 F34 Y38 V130 V131 A132 L199 L216 L218 L221C20-L36 CarbonylContact C-O 3.58Å; C20-L36 WeakPolarHBondContact CA-O 3.49Å; G21-L36 PolarHBondContact N-O 2.91Å; G21-L36 PolarHBondContact O-N 3.48Å; V23-L36 HydrophobicContact CG2-CD1 4.18Å; F34-L36 HydrophobicContact CD2-CD1 4.45Å; F34-L36 HydrophobicContact CD2-CD2 4.33Å; F34-L36 HydrophobicContact CD2-CG 3.92Å; F34-L36 HydrophobicContact CE2-CD1 3.79Å; F34-L36 HydrophobicContact CE2-CD2 4.14Å; F34-L36 HydrophobicContact CE2-CG 3.73Å; L36-Y38 HydrophobicContact CB-CD1 4.03Å; L36-Y38 HydrophobicContact CB-CE1 4.31Å; L36-V130 HydrophobicContact CD2-CG1 3.85Å; L36-V131 CarbonylContact C-O 3.53Å; L36-V131 WeakPolarHBondContact CA-O 3.38Å; L36-A132 HydrophobicContact CD2-CB 3.61Å; L36-L199 HydrophobicContact CD1-CD2 4.36Å; L36-L199 HydrophobicContact CD2-CD1 4.42Å; L36-L199 HydrophobicContact CD2-CD2 4.31Å; L36-L216 HydrophobicContact CB-CD2 4.22Å; L36-L216 HydrophobicContact CD1-CD2 3.63Å; L36-L218 HydrophobicContact CD1-CD2 3.95Å; L36-L221 HydrophobicContact CD1-CD1 4.45Å; L36-L221 HydrophobicContact CD1-CD2 4.08Å
37F98.8Very high90.9Very high0 Ų059.5 Ų59.50%030%0.298CS..EExtended strand (participates in β ladder)trans-118.2135.7161.5-64-97.2000108.5V18 G19 C20 R35 L86 C121 M122 A125 V131 V133V18-F37 HydrophobicContact CG1-CB 4.49Å; V18-F37 HydrophobicContact CG1-CD1 4.26Å; G19-F37 WeakPolarHBondContact O-CA 3.46Å; C20-F37 HydrophobicContact CB-CD1 4.06Å; C20-F37 HydrophobicContact CB-CE1 4.11Å; R35-F37 HydrophobicContact CG-CD2 4.14Å; R35-F37 HydrophobicContact CG-CE2 3.65Å; R35-F37 HydrophobicContact CG-CZ 4.17Å; F37-L86 HydrophobicContact CE1-CD1 4.26Å; F37-L86 HydrophobicContact CZ-CD1 4.29Å; F37-C121 HydrophobicContact CB-CB 4.21Å; F37-C121 HydrophobicContact CD1-CB 4.28Å; F37-C121 HydrophobicContact CD2-CB 3.29Å; F37-C121 HydrophobicContact CE2-CB 3.56Å; F37-C121 HydrophobicContact CG-CB 3.68Å; F37-C121 HydrophobicContact CZ-CB 4.17Å; F37-M122 HydrophobicContact CD1-CG 3.79Å; F37-M122 HydrophobicContact CE1-CG 3.63Å; F37-A125 HydrophobicContact CB-CB 3.83Å; F37-V131 HydrophobicContact CB-CB 4.35Å; F37-V131 PolarHBondContact N-O 2.81Å; F37-V131 PolarHBondContact O-N 2.88Å; F37-V133 HydrophobicContact CD2-CG2 4.29Å; F37-V133 HydrophobicContact CE2-CG2 4.24Å
38Y98.6Very high91.1Very high0 Ų061.3 Ų61.30%031%0.306CS..EExtended strand (participates in β ladder)trans-153.9158-17350.3-92.5000112.8V18 G19 L36 C40 G92 F94 L216V18-Y38 WeakPolarHBondContact CA-O 3.12Å; G19-Y38 PolarHBondContact N-O 3.24Å; G19-Y38 PolarHBondContact O-N 3.07Å; L36-Y38 HydrophobicContact CB-CD1 4.03Å; L36-Y38 HydrophobicContact CB-CE1 4.31Å; Y38-C40 PolarHBondContact O-N 3.14Å; Y38-G92 WeakPolarHBondContact CE2-O 3.41Å; Y38-G92 PolarHBondContact OH-N 3.23Å; Y38-G92 PolarHBondContact OH-O 3.43Å; Y38-G92 VanDerWaalsContact OH-O 3.1Å; Y38-F94 HydrophobicContact CD2-CB 4.45Å; Y38-F94 AromaticContact CD2-CD2 3.53Å; Y38-F94 HydrophobicContact CD2-CD2 3.53Å; Y38-F94 HydrophobicContact CD2-CE2 4.16Å; Y38-F94 HydrophobicContact CD2-CG 4.31Å; Y38-F94 HydrophobicContact CE2-CB 4.48Å; Y38-F94 HydrophobicContact CE2-CD2 4.21Å; Y38-F94 AromaticContact CG-CD2 3.79Å; Y38-F94 HydrophobicContact CG-CD2 3.79Å; Y38-F94 HydrophobicContact CG-CE2 4.03Å; Y38-L216 HydrophobicContact CE1-CD1 4.2Å; Y38-L216 HydrophobicContact CE1-CD2 3.78Å; Y38-L216 VanDerWaalsContact OH-CD1 3.28Å; Y38-L216 WeakPolarHBondContact OH-CD1 3.47Å
39P98.1Very high91.3Very high0 Ų061.7 Ų61.70%031%0.306CS..EExtended strand (participates in β ladder)trans-57.6124.7168.8-26.436.9000111.6H16 K95 Y101 A125 F129H16-P39 HydrophobicContact CB-CB 4.08Å; P39-K95 HydrophobicContact CB-CB 4.27Å; P39-K95 WeakPolarHBondContact O-CB 3.38Å; P39-K95 PolarHBondContact O-N 3.09Å; P39-Y101 HydrophobicContact CB-CE1 3.93Å; P39-Y101 HydrophobicContact CB-CE2 4.37Å; P39-Y101 HydrophobicContact CG-CD1 3.82Å; P39-Y101 HydrophobicContact CG-CE1 3.54Å; P39-Y101 HydrophobicContact CG-CE2 4.31Å; P39-Y101 HydrophobicContact CG-CG 4.25Å; P39-A125 WeakPolarHBondContact CG-O 3.47Å; P39-F129 WeakPolarHBondContact CD-O 3.2Å
40C94.8Very high91.6Very high3 Ų358.4 Ų58.42%0.0229%0.289CS..EExtended strand (participates in β ladder)trans-115149.4-175.6-177.80000110.9L17 G19 Y38 G92 P93L17-C40 HydrophobicContact CB-CB 4.44Å; L17-C40 PolarHBondContact O-N 3.26Å; G19-C40 VanDerWaalsContact N-CB 3.26Å; Y38-C40 PolarHBondContact O-N 3.14Å; C40-G92 VanDerWaalsContact SG-CA 3.6Å; C40-P93 CarbonylContact C-O 3.59Å; C40-P93 WeakPolarHBondContact CA-O 3.41Å; C40-P93 PolarHBondContact SG-O 3.11Å; C40-P93 VanDerWaalsContact SG-O 3.35Å
41Q93.7Very high91.8Very high89 Ų8955.2 Ų55.242%0.41628%0.275SS..PPolyproline II helixtrans-77.2159171.3-53.1-176.525.900110A43 P93 F94 K95Q41-A43 PolarHBondContact O-N 3.02Å; Q41-P93 HydrophobicContact CB-CB 4.4Å; Q41-P93 HydrophobicContact CB-CG 4.05Å; Q41-P93 PolarHBondContact N-O 3.49Å; Q41-F94 PolarHBondContact NE2-O 3.48Å; Q41-K95 HydrophobicContact CG-CB 3.82Å; Q41-K95 HydrophobicContact CG-CG 4.28Å
42K88.9Confident91.8Very high182 Ų18255 Ų5579%0.79127%0.273SS*.PPolyproline II helixtrans-70.6116.7170-169.7176.5-179.6-177.30108.1L17L17-K42 HydrophobicContact CD1-CB 3.78Å; L17-K42 HydrophobicContact CD1-CG 4.08Å
43A80.3Confident91.7Very high29 Ų2954.9 Ų54.924%0.2427%0.272CS..PPolyproline II helixtrans-74148.3172.400000110.5Q41 E45 M47Q41-A43 PolarHBondContact O-N 3.02Å; A43-E45 VanDerWaalsContact C-N 3.34Å; A43-E45 WeakPolarHBondContact CB-O 3.46Å; A43-M47 HydrophobicContact CB-CG 3.52Å; A43-M47 HydrophobicContact CB-SD 3.78Å
44E72.5Confident91.5Very high205 Ų20556.6 Ų56.696%0.95828%0.283SS*.SBendtrans-72-32.2173.8-64.3-175.8172.400111.4
45E77.7Confident91.4Very high165 Ų16560.2 Ų60.277%0.77130%0.297SS*.SBendtrans-103.9160.8177.4-64.2-174.917500112.2A43 M47A43-E45 VanDerWaalsContact C-N 3.34Å; A43-E45 WeakPolarHBondContact CB-O 3.46Å; E45-M47 PolarHBondContact O-N 3.07Å; E45-M47 VanDerWaalsContact O-N 3.1Å
46T78.6Confident91.2Very high147 Ų14764.6 Ų64.690%0.90231%0.314SS*.  trans-71.9106.8175.6-550000109.2
47M84.9Confident91.2Very high61 Ų6167.2 Ų67.230%0.333%0.326SS..PPolyproline II helixtrans-68.3147.2176.9-61.6-60.2-61.700111.3A43 E45 W90A43-M47 HydrophobicContact CB-CG 3.52Å; A43-M47 HydrophobicContact CB-SD 3.78Å; E45-M47 PolarHBondContact O-N 3.07Å; E45-M47 VanDerWaalsContact O-N 3.1Å; M47-W90 WeakPolarHBondContact CE-O 3.29Å
48E91.7Very high91.1Very high116 Ų11667.2 Ų67.254%0.54233%0.326SS..PPolyproline II helixtrans-59.6140.4170.7-176.9174.9-171.800110.3R85 W90E48-R85 IonicContact OE1-NH1 3.17Å; E48-R85 PolarHBondContact OE1-NH1 3.17Å; E48-R85 VanDerWaalsContact OE1-NH1 3.17Å; E48-W90 HydrophobicContact CB-CB 4.31Å; E48-W90 WeakPolarHBondContact O-CB 3.44Å; E48-W90 PolarHBondContact O-N 2.83Å
49Q93.5Very high91Very high92 Ų9267.3 Ų67.343%0.4333%0.327SS..PPolyproline II helixtrans-96.5128171.5-73.4-177.5-12.200109.9R85 L86 V88Q49-R85 HydrophobicContact CB-CB 4.11Å; Q49-R85 WeakPolarHBondContact O-CD 3.26Å; Q49-R85 PolarHBondContact O-NH1 3.16Å; Q49-L86 WeakPolarHBondContact CB-O 3.26Å; Q49-V88 WeakPolarHBondContact CA-O 3.46Å
50P94.7Very high90.9Very high7 Ų768.2 Ų68.25%0.04533%0.333CS..PPolyproline II helixtrans-72.3150.3-176.228.7-31.5000112C20 R85 L86 V88 W90C20-P50 HydrophobicContact CB-CG 4.33Å; P50-R85 CarbonylContact O-C 3.59Å; P50-R85 VanDerWaalsContact O-CA 3.27Å; P50-R85 WeakPolarHBondContact O-CA 3.44Å; P50-L86 HydrophobicContact CG-CB 4.19Å; P50-L86 HydrophobicContact CG-CD1 4.36Å; P50-L86 PolarHBondContact O-N 3.28Å; P50-V88 VanDerWaalsContact CD-O 3.31Å; P50-V88 WeakPolarHBondContact CD-O 3.47Å; P50-V88 HydrophobicContact CG-CG2 3.78Å; P50-W90 HydrophobicContact CB-CB 4.33Å; P50-W90 HydrophobicContact CB-CD2 4.03Å; P50-W90 HydrophobicContact CB-CE3 3.47Å; P50-W90 VanDerWaalsContact CB-CE3 3.47Å; P50-W90 HydrophobicContact CB-CG 4.42Å; P50-W90 HydrophobicContact CB-CZ3 4.02Å; P50-W90 HydrophobicContact CG-CB 4.44Å; P50-W90 HydrophobicContact CG-CE3 3.91Å
51L94.7Very high90.9Very high49 Ų4968.2 Ų68.226%0.25733%0.333SS..BIsolated β-bridgetrans-62.1141.4166.5-68.3174.5000110.3P54 G82 R85L51-P54 HydrophobicContact CB-CB 4.44Å; L51-G82 WeakPolarHBondContact CD2-O 3.43Å; L51-R85 HydrophobicContact CD2-CG 3.91Å
52W94.6Very high91Very high0 Ų064.2 Ų64.20%031%0.314CS..SBendtrans-65.1-50173.117339.5000111F9 V81 C84 L86 T115 L116 D319 F320 V323F9-W52 HydrophobicContact CE2-CB 3.99Å; F9-W52 AromaticContact CE2-CD2 4Å; F9-W52 HydrophobicContact CE2-CD2 4Å; F9-W52 HydrophobicContact CE2-CE3 4.35Å; F9-W52 AromaticContact CE2-CG 3.82Å; F9-W52 HydrophobicContact CE2-CG 3.82Å; F9-W52 HydrophobicContact CZ-CB 4.15Å; F9-W52 AromaticContact CZ-CD1 3.53Å; F9-W52 AromaticContact CZ-CD2 3.59Å; F9-W52 HydrophobicContact CZ-CD2 3.59Å; F9-W52 AromaticContact CZ-CE2 3.73Å; F9-W52 HydrophobicContact CZ-CE3 4.25Å; F9-W52 AromaticContact CZ-CG 3.5Å; F9-W52 HydrophobicContact CZ-CG 3.5Å; F9-W52 HydrophobicContact CZ-CZ2 4.48Å; F9-W52 AromaticContact CZ-NE1 3.63Å; W52-V81 HydrophobicContact CE3-CB 3.81Å; W52-V81 HydrophobicContact CE3-CG1 4.31Å; W52-V81 HydrophobicContact CE3-CG2 4.3Å; W52-V81 HydrophobicContact CZ3-CB 3.65Å; W52-V81 HydrophobicContact CZ3-CG1 3.63Å; W52-V81 HydrophobicContact CZ3-CG2 4.16Å; W52-C84 HydrophobicContact CB-CB 4.31Å; W52-C84 WeakPolarHBondContact CB-O 3.42Å; W52-C84 HydrophobicContact CE3-CB 4.24Å; W52-C84 PolarHBondContact N-O 3.22Å; W52-L86 HydrophobicContact CB-CD2 4.07Å; W52-L86 HydrophobicContact CB-CG 4.36Å; W52-L86 HydrophobicContact CG-CD2 4.29Å; W52-T115 PolarHBondContact NE1-O 2.98Å; W52-T115 WeakPolarHBondContact O-CB 3.33Å; W52-T115 PolarHBondContact O-OG1 3.01Å; W52-L116 HydrophobicContact CH2-CD2 4.47Å; W52-L116 HydrophobicContact CZ2-CD2 3.53Å; W52-D319 HydrophobicContact CH2-CB 4.46Å; W52-D319 HydrophobicContact CZ2-CB 3.45Å; W52-D319 VanDerWaalsContact CZ2-CB 3.45Å; W52-D319 PolarHBondContact NE1-OD2 3.39Å; W52-F320 AromaticContact CH2-CD1 3.79Å; W52-F320 HydrophobicContact CH2-CD1 3.79Å; W52-F320 AromaticContact CH2-CE1 3.82Å; W52-F320 HydrophobicContact CH2-CE1 3.82Å; W52-F320 HydrophobicContact CH2-CG 4.39Å; W52-F320 HydrophobicContact CH2-CZ 4.45Å; W52-F320 HydrophobicContact CZ2-CD1 4.46Å; W52-F320 HydrophobicContact CZ2-CE1 4.45Å; W52-V323 HydrophobicContact CD2-CG2 4.46Å; W52-V323 HydrophobicContact CE3-CB 4.26Å; W52-V323 HydrophobicContact CE3-CG1 4.03Å; W52-V323 HydrophobicContact CE3-CG2 3.87Å; W52-V323 HydrophobicContact CH2-CB 3.88Å; W52-V323 HydrophobicContact CH2-CG1 4.35Å; W52-V323 HydrophobicContact CH2-CG2 3.82Å; W52-V323 HydrophobicContact CZ2-CG2 4.41Å; W52-V323 HydrophobicContact CZ3-CB 3.51Å; W52-V323 HydrophobicContact CZ3-CG1 3.49Å; W52-V323 VanDerWaalsContact CZ3-CG1 3.49Å; W52-V323 HydrophobicContact CZ3-CG2 3.51Å
53I95.4Very high91.2Very high4 Ų455.5 Ų55.52%0.02128%0.276CS..SBendtrans-113.5101.6171.8-56.6-166.8000107.8R55 Y58 L62 V81 F113 L116I53-R55 VanDerWaalsContact C-N 3.34Å; I53-R55 PolarHBondContact O-N 3.09Å; I53-Y58 HydrophobicContact CG2-CD2 4.43Å; I53-Y58 HydrophobicContact CG2-CG 4.36Å; I53-L62 HydrophobicContact CD1-CD1 3.89Å; I53-V81 HydrophobicContact CB-CG2 4.35Å; I53-V81 HydrophobicContact CD1-CG2 3.54Å; I53-V81 HydrophobicContact CG1-CG2 4.06Å; I53-F113 HydrophobicContact CD1-CE2 4.48Å; I53-F113 HydrophobicContact CD1-CZ 4.16Å; I53-F113 HydrophobicContact CG1-CE2 4.45Å; I53-F113 HydrophobicContact CG2-CE2 4.48Å; I53-L116 HydrophobicContact CD1-CD2 4.18Å; I53-L116 HydrophobicContact CG1-CD2 4.47Å
54P94.3Very high91.8Very high38 Ų3857.5 Ų57.525%0.24728%0.28CS..  trans-78.9-13.4-165.329.8-36.2000114.6L51 Y58L51-P54 HydrophobicContact CB-CB 4.44Å; P54-Y58 HydrophobicContact CG-CD2 4.49Å; P54-Y58 HydrophobicContact CG-CE2 4.31Å
55R95.8Very high92.8Very high76 Ų7650.9 Ų50.929%0.28725%0.247SC..  trans-138.5144.1-172.8-59.2-68.5-66.7-92.4-7.1111.3I53 E57 Y58 E163 W165I53-R55 VanDerWaalsContact C-N 3.34Å; I53-R55 PolarHBondContact O-N 3.09Å; R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.17Å; R55-E57 IonicContact NE-OE2 3.85Å; R55-E57 IonicContact NH2-OE1 2.69Å; R55-E57 PolarHBondContact NH2-OE1 3.15Å; R55-E57 PolarHBondContact O-N 3.49Å; R55-Y58 HydrophobicContact CB-CD2 3.72Å; R55-Y58 HydrophobicContact CB-CE2 3.98Å; R55-Y58 HydrophobicContact CG-CD2 4.42Å; R55-Y58 HydrophobicContact CG-CE2 4.22Å; R55-Y58 PolarHBondContact O-N 2.96Å; R55-E163 IonicContact CZ-OE1 2.71Å; R55-E163 IonicContact CZ-OE2 2.87Å; R55-E163 IonicContact NH1-OE1 2.83Å; R55-E163 PolarHBondContact NH1-OE1 2.87Å; R55-E163 IonicContact NH1-OE2 2.76Å; R55-E163 PolarHBondContact NH1-OE2 2.82Å; R55-E163 VanDerWaalsContact NH1-OE2 3.15Å; R55-E163 IonicContact NH2-OE1 3.36Å; R55-E163 IonicContact NH2-OE2 3.17Å; R55-E163 PolarHBondContact NH2-OE2 3.42Å; R55-W165 HydrophobicContact CB-CH2 3.92Å; R55-W165 HydrophobicContact CB-CZ2 4.34Å; R55-W165 HydrophobicContact CG-CH2 4.27Å
56Y95.9Very high93.4Very high93 Ų9344.7 Ų44.737%0.36522%0.219SC..Hα-helixtrans-65.3-32.8-178.2176.4-120.4000112.4Y58 C59 T60 G74 L75 N78Y56-Y58 PolarHBondContact O-N 3.24Å; Y56-C59 HydrophobicContact CD2-CB 4.2Å; Y56-C59 WeakPolarHBondContact O-CA 3.43Å; Y56-C59 VanDerWaalsContact O-CB 3.23Å; Y56-C59 WeakPolarHBondContact O-CB 3.34Å; Y56-C59 PolarHBondContact O-N 3.45Å; Y56-T60 HydrophobicContact CD1-CG2 3.99Å; Y56-T60 HydrophobicContact CE1-CG2 3.49Å; Y56-T60 VanDerWaalsContact CE1-CG2 3.49Å; Y56-T60 HydrophobicContact CE2-CG2 4.12Å; Y56-T60 HydrophobicContact CG-CG2 4.49Å; Y56-T60 PolarHBondContact O-N 3Å; Y56-G74 WeakPolarHBondContact CE2-O 3.41Å; Y56-L75 PolarHBondContact OH-N 3.39Å; Y56-N78 HydrophobicContact CD2-CB 3.72Å; Y56-N78 WeakPolarHBondContact CD2-ND2 3.36Å; Y56-N78 HydrophobicContact CE2-CB 3.82Å
57E97.4Very high93.9Very high56 Ų5645 Ų4526%0.26221%0.211SC..Hα-helixtrans-57.7-37.1179.8-63.289.9151.700110.8R55 C59 T60 G61 T143 W165R55-E57 VanDerWaalsContact C-N 3.26Å; R55-E57 WeakPolarHBondContact CB-OE2 3.17Å; R55-E57 IonicContact NE-OE2 3.85Å; R55-E57 IonicContact NH2-OE1 2.69Å; R55-E57 PolarHBondContact NH2-OE1 3.15Å; R55-E57 PolarHBondContact O-N 3.49Å; E57-C59 VanDerWaalsContact C-N 3.35Å; E57-C59 PolarHBondContact O-N 2.88Å; E57-T60 WeakPolarHBondContact CA-OG1 3.22Å; E57-T60 PolarHBondContact O-N 3.21Å; E57-T60 PolarHBondContact O-OG1 3.13Å; E57-G61 PolarHBondContact O-N 2.95Å; E57-T143 WeakPolarHBondContact O-CG2 3.37Å; E57-W165 HydrophobicContact CB-CD2 3.8Å; E57-W165 HydrophobicContact CB-CE3 3.67Å; E57-W165 HydrophobicContact CB-CH2 3.47Å; E57-W165 VanDerWaalsContact CB-CH2 3.47Å; E57-W165 HydrophobicContact CB-CZ2 3.59Å; E57-W165 HydrophobicContact CB-CZ3 3.51Å; E57-W165 HydrophobicContact CG-CD2 3.9Å; E57-W165 HydrophobicContact CG-CE3 4.31Å; E57-W165 HydrophobicContact CG-CH2 4.04Å; E57-W165 HydrophobicContact CG-CZ2 3.59Å; E57-W165 HydrophobicContact CG-CZ3 4.37Å
58Y97.4Very high94.1Very high0 Ų046.2 Ų46.20%021%0.214CC..Hα-helixtrans-61.3-39.6171.7-69.4-65000112.9I53 P54 R55 Y56 T60 G61 L62 F113 R114 E135 T143 W165I53-Y58 HydrophobicContact CG2-CD2 4.43Å; I53-Y58 HydrophobicContact CG2-CG 4.36Å; P54-Y58 HydrophobicContact CG-CD2 4.49Å; P54-Y58 HydrophobicContact CG-CE2 4.31Å; R55-Y58 HydrophobicContact CB-CD2 3.72Å; R55-Y58 HydrophobicContact CB-CE2 3.98Å; R55-Y58 HydrophobicContact CG-CD2 4.42Å; R55-Y58 HydrophobicContact CG-CE2 4.22Å; R55-Y58 PolarHBondContact O-N 2.96Å; Y56-Y58 PolarHBondContact O-N 3.24Å; Y58-T60 VanDerWaalsContact C-N 3.35Å; Y58-G61 PolarHBondContact O-N 3.05Å; Y58-L62 WeakPolarHBondContact O-CG 2.98Å; Y58-L62 PolarHBondContact O-N 3.13Å; Y58-F113 HydrophobicContact CD1-CB 4.37Å; Y58-F113 AromaticContact CD1-CD1 3.76Å; Y58-F113 HydrophobicContact CD1-CD1 3.76Å; Y58-F113 AromaticContact CD1-CD2 3.76Å; Y58-F113 HydrophobicContact CD1-CD2 3.76Å; Y58-F113 AromaticContact CD1-CE1 3.88Å; Y58-F113 HydrophobicContact CD1-CE1 3.88Å; Y58-F113 AromaticContact CD1-CE2 3.89Å; Y58-F113 HydrophobicContact CD1-CE2 3.89Å; Y58-F113 AromaticContact CD1-CG 3.7Å; Y58-F113 HydrophobicContact CD1-CG 3.7Å; Y58-F113 AromaticContact CD1-CZ 3.95Å; Y58-F113 HydrophobicContact CD1-CZ 3.95Å; Y58-F113 HydrophobicContact CE1-CB 4.14Å; Y58-F113 HydrophobicContact CE1-CD1 4.35Å; Y58-F113 HydrophobicContact CE1-CD2 4.06Å; Y58-F113 AromaticContact CE1-CG 3.93Å; Y58-F113 HydrophobicContact CE1-CG 3.93Å; Y58-F113 HydrophobicContact CG-CD2 4.25Å; Y58-F113 HydrophobicContact CG-CE1 4.37Å; Y58-F113 AromaticContact CG-CE2 3.98Å; Y58-F113 HydrophobicContact CG-CE2 3.98Å; Y58-F113 HydrophobicContact CG-CZ 4.05Å; Y58-R114 PolarHBondContact OH-NH1 2.93Å; Y58-E135 WeakPolarHBondContact CE1-OE1 3.07Å; Y58-E135 PolarHBondContact OH-OE1 2.9Å; Y58-E135 PolarHBondContact OH-OE2 2.92Å; Y58-T143 HydrophobicContact CD1-CG2 3.53Å; Y58-T143 HydrophobicContact CE1-CG2 4.02Å; Y58-T143 VanDerWaalsContact CE1-O 3.3Å; Y58-T143 WeakPolarHBondContact CE1-O 3.28Å; Y58-T143 HydrophobicContact CG-CG2 4.18Å; Y58-W165 HydrophobicContact CD2-CH2 4.33Å; Y58-W165 HydrophobicContact CD2-CZ3 4.48Å; Y58-W165 HydrophobicContact CE1-CZ3 4.19Å; Y58-W165 AromaticContact CE2-CH2 3.93Å; Y58-W165 HydrophobicContact CE2-CH2 3.93Å; Y58-W165 HydrophobicContact CE2-CZ3 4.13Å; Y58-W165 AromaticContact CZ-CZ3 3.95Å
59C95Very high94Very high2 Ų245.3 Ų45.31%0.01421%0.213CC..Hα-helixtrans-63.7-41.8174.5-64.20000111.2Y56 E57 L62 A63 F77 N78Y56-C59 HydrophobicContact CD2-CB 4.2Å; Y56-C59 WeakPolarHBondContact O-CA 3.43Å; Y56-C59 VanDerWaalsContact O-CB 3.23Å; Y56-C59 WeakPolarHBondContact O-CB 3.34Å; Y56-C59 PolarHBondContact O-N 3.45Å; E57-C59 VanDerWaalsContact C-N 3.35Å; E57-C59 PolarHBondContact O-N 2.88Å; C59-L62 PolarHBondContact O-N 2.67Å; C59-A63 PolarHBondContact O-N 2.81Å; C59-F77 HydrophobicContact CB-CB 3.7Å; C59-N78 HydrophobicContact CB-CB 4.35Å
60T96.1Very high93.8Very high19 Ų1945.8 Ų45.812%0.11721%0.214CC..Hα-helixtrans-67.9-38.3175.9690000112.6Y56 E57 Y58 A63 E64Y56-T60 HydrophobicContact CD1-CG2 3.99Å; Y56-T60 HydrophobicContact CE1-CG2 3.49Å; Y56-T60 VanDerWaalsContact CE1-CG2 3.49Å; Y56-T60 HydrophobicContact CE2-CG2 4.12Å; Y56-T60 HydrophobicContact CG-CG2 4.49Å; Y56-T60 PolarHBondContact O-N 3Å; E57-T60 WeakPolarHBondContact CA-OG1 3.22Å; E57-T60 PolarHBondContact O-N 3.21Å; E57-T60 PolarHBondContact O-OG1 3.13Å; Y58-T60 VanDerWaalsContact C-N 3.35Å; T60-A63 WeakPolarHBondContact O-CB 3.48Å; T60-A63 PolarHBondContact O-N 3.19Å; T60-E64 WeakPolarHBondContact O-CB 3.48Å; T60-E64 PolarHBondContact O-N 2.85Å
61G96.6Very high93.5Very high2 Ų255.4 Ų55.42%0.02125%0.249CC..Hα-helixtrans-64.5-40.2175.300000112.1E57 Y58 E64 Y65E57-G61 PolarHBondContact O-N 2.95Å; Y58-G61 PolarHBondContact O-N 3.05Å; G61-E64 PolarHBondContact O-N 3.16Å; G61-Y65 WeakPolarHBondContact O-CB 3.39Å; G61-Y65 PolarHBondContact O-N 3.41Å
62L94.8Very high93.2Very high5 Ų561.6 Ų61.63%0.02627%0.269CS..Hα-helixtrans-63-45.5173-75169.9000111.7I53 Y58 C59 E64 Y65 L66 F77 F113 L116 A142 F320I53-L62 HydrophobicContact CD1-CD1 3.89Å; Y58-L62 WeakPolarHBondContact O-CG 2.98Å; Y58-L62 PolarHBondContact O-N 3.13Å; C59-L62 PolarHBondContact O-N 2.67Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 3.48Å; L62-Y65 PolarHBondContact O-N 2.91Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.29Å; L62-F77 HydrophobicContact CB-CD2 4.33Å; L62-F77 HydrophobicContact CB-CE2 4.26Å; L62-F113 HydrophobicContact CD1-CE1 4.04Å; L62-F113 HydrophobicContact CD1-CZ 3.85Å; L62-F113 HydrophobicContact CD2-CE1 3.82Å; L62-F113 HydrophobicContact CD2-CZ 4.4Å; L62-F113 HydrophobicContact CG-CE1 3.76Å; L62-F113 HydrophobicContact CG-CZ 4.11Å; L62-L116 HydrophobicContact CD2-CD1 4.32Å; L62-A142 HydrophobicContact CD2-CB 4.17Å; L62-A142 HydrophobicContact CG-CB 4.44Å; L62-F320 HydrophobicContact CD1-CZ 3.87Å; L62-F320 HydrophobicContact CD2-CE2 4.46Å; L62-F320 HydrophobicContact CD2-CZ 4.15Å
63A92.9Very high92.9Very high0 Ų061.9 Ų61.90%027%0.272CS..Hα-helixtrans-57.7-4717500000111.3C59 T60 L66 Q67 F68 F77C59-A63 PolarHBondContact O-N 2.81Å; T60-A63 WeakPolarHBondContact O-CB 3.48Å; T60-A63 PolarHBondContact O-N 3.19Å; A63-L66 PolarHBondContact O-N 2.95Å; A63-Q67 PolarHBondContact O-N 3.04Å; A63-F68 HydrophobicContact CB-CB 4.3Å; A63-F68 PolarHBondContact O-N 3.34Å; A63-F77 HydrophobicContact CB-CD2 3.99Å; A63-F77 HydrophobicContact CB-CE2 4.11Å
64E93.3Very high92.7Very high70 Ų7061.7 Ų61.733%0.32727%0.271SS..Hα-helixtrans-62.9-47.3178.9-174.6162.9-169.500111.4T60 G61 L62 L66 Q67 K70 R170T60-E64 WeakPolarHBondContact O-CB 3.48Å; T60-E64 PolarHBondContact O-N 2.85Å; G61-E64 PolarHBondContact O-N 3.16Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 3.48Å; E64-L66 PolarHBondContact O-N 3.24Å; E64-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 VanDerWaalsContact O-N 3.12Å; E64-K70 IonicContact OE2-NZ 3.84Å; E64-K70 PolarHBondContact OE2-NZ 3.31Å; E64-R170 PolarHBondContact O-NH2 3.43Å
65Y93.1Very high92.5Very high67 Ų6763.3 Ų63.326%0.26328%0.278SS..Hα-helixtrans-58.1-44.5176.4170.7-105.9000112.2G61 L62 Q67 L110 F168 R170G61-Y65 WeakPolarHBondContact O-CB 3.39Å; G61-Y65 PolarHBondContact O-N 3.41Å; L62-Y65 PolarHBondContact O-N 2.91Å; Y65-Q67 PolarHBondContact O-N 3.43Å; Y65-L110 HydrophobicContact CE2-CG 4.35Å; Y65-F168 AromaticContact CD2-CD1 3.92Å; Y65-F168 HydrophobicContact CD2-CD1 3.92Å; Y65-F168 HydrophobicContact CD2-CD2 4.23Å; Y65-F168 AromaticContact CD2-CE1 3.77Å; Y65-F168 HydrophobicContact CD2-CE1 3.77Å; Y65-F168 HydrophobicContact CD2-CE2 4.11Å; Y65-F168 HydrophobicContact CD2-CG 4.14Å; Y65-F168 AromaticContact CD2-CZ 3.88Å; Y65-F168 HydrophobicContact CD2-CZ 3.88Å; Y65-F168 HydrophobicContact CE2-CE1 4.23Å; Y65-F168 HydrophobicContact CE2-CE2 4.19Å; Y65-F168 AromaticContact CE2-CZ 3.93Å; Y65-F168 HydrophobicContact CE2-CZ 3.93Å; Y65-R170 PolarHBondContact O-NH2 2.59Å
66L90.4Very high92.2Very high35 Ų3564 Ų6418%0.18329%0.287CS..THydrogen-bonded Turntrans-77.94.1179.4-63.4170.2000114L62 A63 E64 F68 F77 R315 F332L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.49Å; L62-L66 PolarHBondContact O-N 3.29Å; A63-L66 PolarHBondContact O-N 2.95Å; E64-L66 PolarHBondContact O-N 3.24Å; L66-F68 HydrophobicContact CB-CD2 4.22Å; L66-F68 HydrophobicContact CB-CE2 4.3Å; L66-F68 HydrophobicContact CD1-CE2 4.42Å; L66-F68 PolarHBondContact O-N 3.15Å; L66-F77 HydrophobicContact CD1-CE1 4.48Å; L66-F77 HydrophobicContact CD1-CE2 4.08Å; L66-F77 HydrophobicContact CD1-CZ 3.51Å; L66-R315 VanDerWaalsContact CD2-NH2 3.31Å; L66-F332 HydrophobicContact CD1-CE1 3.78Å; L66-F332 HydrophobicContact CD1-CZ 4.04Å
67Q90.2Very high91.8Very high154 Ų15460.2 Ų60.272%0.7227%0.272SS*.THydrogen-bonded Turntrans6426.3-179.8-53.3-178.138.500113.9A63 E64 Y65 R170A63-Q67 PolarHBondContact O-N 3.04Å; E64-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 VanDerWaalsContact O-N 3.12Å; Y65-Q67 PolarHBondContact O-N 3.43Å; Q67-R170 VanDerWaalsContact CG-NH2 3.27Å
68F88.4Confident91.4Very high85 Ų8560.3 Ų60.337%0.37327%0.274SS..SBendtrans-85158.4166.9-62.2-26000110.6A63 L66 K70 F77A63-F68 HydrophobicContact CB-CB 4.3Å; A63-F68 PolarHBondContact O-N 3.34Å; L66-F68 HydrophobicContact CB-CD2 4.22Å; L66-F68 HydrophobicContact CB-CE2 4.3Å; L66-F68 HydrophobicContact CD1-CE2 4.42Å; L66-F68 PolarHBondContact O-N 3.15Å; F68-K70 PolarHBondContact O-N 2.84Å; F68-K70 VanDerWaalsContact O-N 3.16Å; F68-F77 AromaticContact CD2-CE2 3.99Å; F68-F77 HydrophobicContact CD2-CE2 3.99Å; F68-F77 HydrophobicContact CD2-CZ 4.37Å; F68-F77 HydrophobicContact CE2-CE2 4.42Å; F68-F77 HydrophobicContact CE2-CZ 4.35Å
69N89.9Confident91Very high97 Ų9766.2 Ų66.252%0.51931%0.305SS..  trans-58.1123.2173.2-179-75.8000109.6R71 W72 G73N69-R71 VanDerWaalsContact C-N 3.29Å; N69-R71 PolarHBondContact O-N 3.26Å; N69-R71 PolarHBondContact OD1-N 2.85Å; N69-W72 HydrophobicContact CB-CB 4.46Å; N69-W72 PolarHBondContact O-N 3.05Å; N69-W72 PolarHBondContact OD1-N 3.4Å; N69-G73 VanDerWaalsContact O-CA 3.29Å; N69-G73 WeakPolarHBondContact O-CA 3.24Å; N69-G73 PolarHBondContact O-N 2.71Å
70K88.6Confident90.5Very high103 Ų10367.8 Ų67.845%0.44832%0.318SS..Hα-helixtrans-53.4-41.5-174.7-175.7171.6-173146.20113.9E64 F68 G74E64-K70 IonicContact OE2-NZ 3.84Å; E64-K70 PolarHBondContact OE2-NZ 3.31Å; F68-K70 PolarHBondContact O-N 2.84Å; F68-K70 VanDerWaalsContact O-N 3.16Å; K70-G74 WeakPolarHBondContact O-CA 3.3Å; K70-G74 PolarHBondContact O-N 2.67Å; K70-G74 VanDerWaalsContact O-N 3.1Å
71R88.2Confident90.1Very high209 Ų20967 Ų6779%0.78931%0.313SS*.Hα-helixtrans-72.8-56.7-177.9-68.8-175.4175.8177.6-1111.2N69 L75N69-R71 VanDerWaalsContact C-N 3.29Å; N69-R71 PolarHBondContact O-N 3.26Å; N69-R71 PolarHBondContact OD1-N 2.85Å; R71-L75 WeakPolarHBondContact O-CB 3.21Å; R71-L75 PolarHBondContact O-N 3.11Å; R71-L75 VanDerWaalsContact O-N 3.11Å
72W89.4Confident89.6Confident179 Ų17967.8 Ų67.868%0.67832%0.321SS*.Hα-helixtrans-73.3-43.4-175.8-65.8112.7000112.4N69 L75 L76N69-W72 HydrophobicContact CB-CB 4.46Å; N69-W72 PolarHBondContact O-N 3.05Å; N69-W72 PolarHBondContact OD1-N 3.4Å; W72-L75 HydrophobicContact CE3-CD2 4.38Å; W72-L75 HydrophobicContact CZ3-CD2 4.41Å; W72-L75 PolarHBondContact O-N 3.34Å; W72-L76 WeakPolarHBondContact O-CB 3.36Å; W72-L76 VanDerWaalsContact O-CG 3.27Å; W72-L76 WeakPolarHBondContact O-CG 3.1Å; W72-L76 PolarHBondContact O-N 3.38Å
73G87.5Confident89.3Confident6 Ų672.1 Ų72.16%0.06235%0.352CS..Hα-helixtrans-62.9-44.5175.500000111.8N69 L75 L76 F77N69-G73 VanDerWaalsContact O-CA 3.29Å; N69-G73 WeakPolarHBondContact O-CA 3.24Å; N69-G73 PolarHBondContact O-N 2.71Å; G73-L75 PolarHBondContact O-N 3.1Å; G73-L76 PolarHBondContact O-N 3.3Å; G73-F77 WeakPolarHBondContact O-CD2 3.42Å; G73-F77 PolarHBondContact O-N 2.78Å
74G90.4Very high89.2Confident0 Ų073.7 Ų73.70%036%0.362CS..Hα-helixtrans-59.8-44.9176.100000112.4Y56 K70 F77 N78Y56-G74 WeakPolarHBondContact CE2-O 3.41Å; K70-G74 WeakPolarHBondContact O-CA 3.3Å; K70-G74 PolarHBondContact O-N 2.67Å; K70-G74 VanDerWaalsContact O-N 3.1Å; G74-F77 PolarHBondContact O-N 2.89Å; G74-N78 WeakPolarHBondContact O-CB 3.26Å; G74-N78 PolarHBondContact O-N 2.66Å
75L91.9Very high89.2Confident72 Ų7275.7 Ų75.738%0.37737%0.367SS..Hα-helixtrans-60.8-46.8175178.162.6000112Y56 R71 W72 G73 F77 N78 L79Y56-L75 PolarHBondContact OH-N 3.39Å; R71-L75 WeakPolarHBondContact O-CB 3.21Å; R71-L75 PolarHBondContact O-N 3.11Å; R71-L75 VanDerWaalsContact O-N 3.11Å; W72-L75 HydrophobicContact CE3-CD2 4.38Å; W72-L75 HydrophobicContact CZ3-CD2 4.41Å; W72-L75 PolarHBondContact O-N 3.34Å; G73-L75 PolarHBondContact O-N 3.1Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-F77 PolarHBondContact O-N 3.35Å; L75-N78 PolarHBondContact O-N 2.8Å; L75-L79 HydrophobicContact CD1-CD1 4.24Å; L75-L79 HydrophobicContact CD1-CG 4.21Å; L75-L79 HydrophobicContact CG-CD1 4.1Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CG 3.28Å; L75-L79 PolarHBondContact O-N 3.33Å
76L87.6Confident89.2Confident91 Ų9172.5 Ų72.548%0.47636%0.355SS..Hα-helixtrans-62-41.8178.6-72.1172.9000111.9W72 G73 L79 A80W72-L76 WeakPolarHBondContact O-CB 3.36Å; W72-L76 VanDerWaalsContact O-CG 3.27Å; W72-L76 WeakPolarHBondContact O-CG 3.1Å; W72-L76 PolarHBondContact O-N 3.38Å; G73-L76 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 2.79Å; L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.25Å; L76-A80 PolarHBondContact O-N 3.05Å
77F87.5Confident89.3Confident12 Ų1274 Ų745%0.05337%0.366CS..Hα-helixtrans-60.1-48.1173-85.1-62.8000111.7C59 L62 A63 L66 F68 G73 G74 L75 L79 A80 V81 F332C59-F77 HydrophobicContact CB-CB 3.7Å; L62-F77 HydrophobicContact CB-CD2 4.33Å; L62-F77 HydrophobicContact CB-CE2 4.26Å; A63-F77 HydrophobicContact CB-CD2 3.99Å; A63-F77 HydrophobicContact CB-CE2 4.11Å; L66-F77 HydrophobicContact CD1-CE1 4.48Å; L66-F77 HydrophobicContact CD1-CE2 4.08Å; L66-F77 HydrophobicContact CD1-CZ 3.51Å; F68-F77 AromaticContact CD2-CE2 3.99Å; F68-F77 HydrophobicContact CD2-CE2 3.99Å; F68-F77 HydrophobicContact CD2-CZ 4.37Å; F68-F77 HydrophobicContact CE2-CE2 4.42Å; F68-F77 HydrophobicContact CE2-CZ 4.35Å; G73-F77 WeakPolarHBondContact O-CD2 3.42Å; G73-F77 PolarHBondContact O-N 2.78Å; G74-F77 PolarHBondContact O-N 2.89Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-F77 PolarHBondContact O-N 3.35Å; F77-L79 PolarHBondContact O-N 2.87Å; F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.17Å; F77-A80 VanDerWaalsContact O-N 3.13Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 3.24Å; F77-F332 HydrophobicContact CE1-CE2 4.01Å; F77-F332 AromaticContact CE1-CZ 3.56Å; F77-F332 HydrophobicContact CE1-CZ 3.56Å; F77-F332 HydrophobicContact CZ-CE1 4.47Å; F77-F332 HydrophobicContact CZ-CE2 4.23Å; F77-F332 AromaticContact CZ-CZ 3.54Å; F77-F332 HydrophobicContact CZ-CZ 3.54Å
78N90.3Very high89.5Confident58 Ų5867 Ų6731%0.3133%0.334SS..Hα-helixtrans-60.7-46.9179.3-172.9-15.6000111.6Y56 C59 G74 L75 A80 V81 G82Y56-N78 HydrophobicContact CD2-CB 3.72Å; Y56-N78 WeakPolarHBondContact CD2-ND2 3.36Å; Y56-N78 HydrophobicContact CE2-CB 3.82Å; C59-N78 HydrophobicContact CB-CB 4.35Å; G74-N78 WeakPolarHBondContact O-CB 3.26Å; G74-N78 PolarHBondContact O-N 2.66Å; L75-N78 PolarHBondContact O-N 2.8Å; N78-A80 PolarHBondContact O-N 3.12Å; N78-V81 PolarHBondContact O-N 3.35Å; N78-G82 VanDerWaalsContact O-CA 3.28Å; N78-G82 WeakPolarHBondContact O-CA 3.26Å; N78-G82 PolarHBondContact O-N 3.36Å
79L89.1Confident89.9Confident125 Ų12564.3 Ų64.365%0.65433%0.326SS*.Hα-helixtrans-59.5-33.5176.4-70.9173.7000112.7L75 L76 F77L75-L79 HydrophobicContact CD1-CD1 4.24Å; L75-L79 HydrophobicContact CD1-CG 4.21Å; L75-L79 HydrophobicContact CG-CD1 4.1Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CG 3.28Å; L75-L79 PolarHBondContact O-N 3.33Å; L76-L79 PolarHBondContact O-N 2.79Å; F77-L79 PolarHBondContact O-N 2.87Å
80A84.6Confident90.2Very high34 Ų3462.1 Ų62.128%0.28131%0.31SS..Hα-helixtrans-76.7-39.9-179.500000113.7L76 F77 N78 I328L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.25Å; L76-A80 PolarHBondContact O-N 3.05Å; F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.17Å; F77-A80 VanDerWaalsContact O-N 3.13Å; N78-A80 PolarHBondContact O-N 3.12Å; A80-I328 HydrophobicContact CB-CD1 3.53Å; A80-I328 HydrophobicContact CB-CG1 3.95Å
81V86.7Confident90.5Very high4 Ų459.5 Ų59.52%0.02430%0.301CS..Hα-helixtrans-133.7-8-166.1-44.40000115.1W52 I53 F77 N78 S83 C84 V323 I328W52-V81 HydrophobicContact CE3-CB 3.81Å; W52-V81 HydrophobicContact CE3-CG1 4.31Å; W52-V81 HydrophobicContact CE3-CG2 4.3Å; W52-V81 HydrophobicContact CZ3-CB 3.65Å; W52-V81 HydrophobicContact CZ3-CG1 3.63Å; W52-V81 HydrophobicContact CZ3-CG2 4.16Å; I53-V81 HydrophobicContact CB-CG2 4.35Å; I53-V81 HydrophobicContact CD1-CG2 3.54Å; I53-V81 HydrophobicContact CG1-CG2 4.06Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 3.24Å; N78-V81 PolarHBondContact O-N 3.35Å; V81-S83 PolarHBondContact O-N 3.21Å; V81-C84 WeakPolarHBondContact O-CB 3.47Å; V81-C84 PolarHBondContact O-N 3.47Å; V81-V323 HydrophobicContact CG1-CG1 4.01Å; V81-I328 HydrophobicContact CG1-CD1 4.44Å
82G85.8Confident90.8Very high18 Ų1849.7 Ų49.719%0.18627%0.265CS..THydrogen-bonded Turntrans-68-17.5-174.600000114.4L51 N78L51-G82 WeakPolarHBondContact CD2-O 3.43Å; N78-G82 VanDerWaalsContact O-CA 3.28Å; N78-G82 WeakPolarHBondContact O-CA 3.26Å; N78-G82 PolarHBondContact O-N 3.36Å
83S89Confident91Very high95 Ų9543.7 Ų43.766%0.66425%0.249SC*.THydrogen-bonded Turntrans-103.4-3.1172.460.30000113.6V81 R85V81-S83 PolarHBondContact O-N 3.21Å; S83-R85 PolarHBondContact O-N 3.28Å
84C91.3Very high91.4Very high33 Ų3343.8 Ų43.822%0.22325%0.248CC..  trans-68.2124.5178-67.50000109.8W52 V81W52-C84 HydrophobicContact CB-CB 4.31Å; W52-C84 WeakPolarHBondContact CB-O 3.42Å; W52-C84 HydrophobicContact CE3-CB 4.24Å; W52-C84 PolarHBondContact N-O 3.22Å; V81-C84 WeakPolarHBondContact O-CB 3.47Å; V81-C84 PolarHBondContact O-N 3.47Å
85R92.6Very high91.7Very high113 Ų11347.6 Ų47.643%0.42627%0.265SS..BIsolated β-bridgetrans-107.9149.9176.3-70.2-176.4-177.5-99.93.4111.1E48 Q49 P50 L51 S83E48-R85 IonicContact OE1-NH1 3.17Å; E48-R85 PolarHBondContact OE1-NH1 3.17Å; E48-R85 VanDerWaalsContact OE1-NH1 3.17Å; Q49-R85 HydrophobicContact CB-CB 4.11Å; Q49-R85 WeakPolarHBondContact O-CD 3.26Å; Q49-R85 PolarHBondContact O-NH1 3.16Å; P50-R85 CarbonylContact O-C 3.59Å; P50-R85 VanDerWaalsContact O-CA 3.27Å; P50-R85 WeakPolarHBondContact O-CA 3.44Å; L51-R85 HydrophobicContact CD2-CG 3.91Å; S83-R85 PolarHBondContact O-N 3.28Å
86L93.9Very high91.8Very high0 Ų048.3 Ų48.30%027%0.272CS..  trans-83.8138.1172.6-59.1177.5000109.4F9 F37 Q49 P50 W52 V88 S118 M122F9-L86 HydrophobicContact CD1-CD2 3.98Å; F9-L86 HydrophobicContact CD2-CD2 3.8Å; F9-L86 HydrophobicContact CE1-CD2 3.71Å; F9-L86 HydrophobicContact CE2-CD2 3.54Å; F9-L86 HydrophobicContact CG-CD2 4.03Å; F9-L86 HydrophobicContact CZ-CD2 3.5Å; F37-L86 HydrophobicContact CE1-CD1 4.26Å; F37-L86 HydrophobicContact CZ-CD1 4.29Å; Q49-L86 WeakPolarHBondContact CB-O 3.26Å; P50-L86 HydrophobicContact CG-CB 4.19Å; P50-L86 HydrophobicContact CG-CD1 4.36Å; P50-L86 PolarHBondContact O-N 3.28Å; W52-L86 HydrophobicContact CB-CD2 4.07Å; W52-L86 HydrophobicContact CB-CG 4.36Å; W52-L86 HydrophobicContact CG-CD2 4.29Å; L86-V88 HydrophobicContact CB-CG2 3.84Å; L86-V88 PolarHBondContact O-N 3.19Å; L86-S118 WeakPolarHBondContact CD1-OG 3.39Å; L86-M122 HydrophobicContact CB-SD 4.24Å; L86-M122 HydrophobicContact CD2-SD 4.48Å
87P92.6Very high92Very high65 Ų6547 Ų4742%0.42226%0.262SS..SBendtrans-78.354-178.634.2-37.4000112.3F9 M122F9-P87 HydrophobicContact CB-CG 4.31Å; P87-M122 HydrophobicContact CG-SD 4.33Å
88V94.6Very high92.1Very high9 Ų954.8 Ų54.86%0.05531%0.305CS..SBendtrans-137.6161.2-176.9-61.70000111.3V18 C20 Q49 P50 L86 W90 M122V18-V88 HydrophobicContact CB-CB 4.39Å; V18-V88 HydrophobicContact CB-CG1 3.79Å; V18-V88 HydrophobicContact CG1-CB 4.3Å; V18-V88 HydrophobicContact CG1-CG1 3.73Å; V18-V88 WeakPolarHBondContact O-CB 3.35Å; C20-V88 HydrophobicContact CB-CG2 3.66Å; Q49-V88 WeakPolarHBondContact CA-O 3.46Å; P50-V88 VanDerWaalsContact CD-O 3.31Å; P50-V88 WeakPolarHBondContact CD-O 3.47Å; P50-V88 HydrophobicContact CG-CG2 3.78Å; L86-V88 HydrophobicContact CB-CG2 3.84Å; L86-V88 PolarHBondContact O-N 3.19Å; V88-W90 PolarHBondContact O-N 3.45Å; V88-M122 HydrophobicContact CG1-CB 4.49Å; V88-M122 HydrophobicContact CG1-CG 3.69Å; V88-M122 HydrophobicContact CG1-SD 3.47Å; V88-M122 WeakPolarHBondContact CG1-SD 3.3Å
89S95.5Very high92.1Very high27 Ų2755 Ų5519%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-82.5114.6178.7-57.90000111.3V18 G19 C20 N91 G92V18-S89 PolarHBondContact O-N 3.16Å; G19-S89 CarbonylContact C-O 3.39Å; G19-S89 VanDerWaalsContact CA-O 3.25Å; G19-S89 WeakPolarHBondContact CA-O 3.36Å; C20-S89 PolarHBondContact N-O 3.11Å; S89-N91 PolarHBondContact O-N 3.44Å; S89-G92 PolarHBondContact O-N 3.15Å
90W96.1Very high92.4Very high52 Ų5249.2 Ų49.220%0.19728%0.281CS..EExtended strand (participates in β ladder)trans-65.6124.2171-175.8-118.3000110.2C20 D22 M47 E48 P50 V88 G92C20-W90 CarbonylContact O-C 3.59Å; C20-W90 WeakPolarHBondContact O-CA 3.45Å; D22-W90 HydrophobicContact CB-CH2 3.84Å; D22-W90 VanDerWaalsContact N-CH2 3.32Å; M47-W90 WeakPolarHBondContact CE-O 3.29Å; E48-W90 HydrophobicContact CB-CB 4.31Å; E48-W90 WeakPolarHBondContact O-CB 3.44Å; E48-W90 PolarHBondContact O-N 2.83Å; P50-W90 HydrophobicContact CB-CB 4.33Å; P50-W90 HydrophobicContact CB-CD2 4.03Å; P50-W90 HydrophobicContact CB-CE3 3.47Å; P50-W90 VanDerWaalsContact CB-CE3 3.47Å; P50-W90 HydrophobicContact CB-CG 4.42Å; P50-W90 HydrophobicContact CB-CZ3 4.02Å; P50-W90 HydrophobicContact CG-CB 4.44Å; P50-W90 HydrophobicContact CG-CE3 3.91Å; V88-W90 PolarHBondContact O-N 3.45Å; W90-G92 PolarHBondContact O-N 2.94Å; W90-G92 VanDerWaalsContact O-N 3.11Å
91N95.4Very high93.1Very high47 Ų4747.7 Ų47.725%0.25127%0.268SS..THydrogen-bonded Turntrans4737.5-173.8-61.7-27.6000113.2C20 G21 S89 G214 L216C20-N91 PolarHBondContact O-N 2.92Å; G21-N91 WeakPolarHBondContact CA-OD1 2.97Å; S89-N91 PolarHBondContact O-N 3.44Å; N91-G214 PolarHBondContact ND2-O 3.39Å; N91-L216 HydrophobicContact CB-CD1 4.32Å; N91-L216 WeakPolarHBondContact OD1-CA 3.27Å
92G94.4Very high93.7Very high4 Ų447.9 Ų47.94%0.04127%0.269CS..PPolyproline II helixtrans-60.8150.8177.400000112.5Y38 C40 S89 W90 F94Y38-G92 WeakPolarHBondContact CE2-O 3.41Å; Y38-G92 PolarHBondContact OH-N 3.23Å; Y38-G92 PolarHBondContact OH-O 3.43Å; Y38-G92 VanDerWaalsContact OH-O 3.1Å; C40-G92 VanDerWaalsContact SG-CA 3.6Å; S89-G92 PolarHBondContact O-N 3.15Å; W90-G92 PolarHBondContact O-N 2.94Å; W90-G92 VanDerWaalsContact O-N 3.11Å; G92-F94 PolarHBondContact O-N 3.25Å
93P93.9Very high94.3Very high52 Ų5247 Ų4734%0.33826%0.26SS..PPolyproline II helixtrans-60.7122.1179.424.4-33.9000111.2C40 Q41 K95C40-P93 CarbonylContact C-O 3.59Å; C40-P93 WeakPolarHBondContact CA-O 3.41Å; C40-P93 PolarHBondContact SG-O 3.11Å; C40-P93 VanDerWaalsContact SG-O 3.35Å; Q41-P93 HydrophobicContact CB-CB 4.4Å; Q41-P93 HydrophobicContact CB-CG 4.05Å; Q41-P93 PolarHBondContact N-O 3.49Å; P93-K95 PolarHBondContact O-N 3.42Å
94F95.8Very high94.8Very high9 Ų942.5 Ų42.54%0.03923%0.229CC..BIsolated β-bridgetrans-59.5131179.4-169.8-80.6000111Y38 Q41 G92 T96 Y101 V130 L221 N224Y38-F94 HydrophobicContact CD2-CB 4.45Å; Y38-F94 AromaticContact CD2-CD2 3.53Å; Y38-F94 HydrophobicContact CD2-CD2 3.53Å; Y38-F94 HydrophobicContact CD2-CE2 4.16Å; Y38-F94 HydrophobicContact CD2-CG 4.31Å; Y38-F94 HydrophobicContact CE2-CB 4.48Å; Y38-F94 HydrophobicContact CE2-CD2 4.21Å; Y38-F94 AromaticContact CG-CD2 3.79Å; Y38-F94 HydrophobicContact CG-CD2 3.79Å; Y38-F94 HydrophobicContact CG-CE2 4.03Å; Q41-F94 PolarHBondContact NE2-O 3.48Å; G92-F94 PolarHBondContact O-N 3.25Å; F94-T96 PolarHBondContact O-N 2.93Å; F94-Y101 AromaticContact CE1-CD2 3.91Å; F94-Y101 HydrophobicContact CE1-CD2 3.91Å; F94-Y101 AromaticContact CE1-CE2 3.68Å; F94-Y101 HydrophobicContact CE1-CE2 3.68Å; F94-Y101 AromaticContact CZ-CD2 3.67Å; F94-Y101 HydrophobicContact CZ-CD2 3.67Å; F94-Y101 AromaticContact CZ-CE2 3.86Å; F94-Y101 HydrophobicContact CZ-CE2 3.86Å; F94-V130 HydrophobicContact CE2-CG2 3.91Å; F94-V130 HydrophobicContact CZ-CG2 4Å; F94-L221 HydrophobicContact CD2-CD2 4.38Å; F94-L221 HydrophobicContact CD2-CG 3.97Å; F94-L221 HydrophobicContact CE2-CD2 4.05Å; F94-L221 HydrophobicContact CE2-CG 4.03Å; F94-N224 HydrophobicContact CD1-CB 4.14Å; F94-N224 HydrophobicContact CE1-CB 3.4Å; F94-N224 HydrophobicContact CZ-CB 3.84Å
95K96.5Very high95.1Very high80 Ų8040.9 Ų40.935%0.34822%0.218SC..  trans-83.9107.6176.4-179.8-179175.4177.60109.5H16 P39 Q41 P93 Y101H16-K95 PolarHBondContact CE1-NZ 3.45Å; H16-K95 PolarHBondContact ND1-NZ 2.86Å; P39-K95 HydrophobicContact CB-CB 4.27Å; P39-K95 WeakPolarHBondContact O-CB 3.38Å; P39-K95 PolarHBondContact O-N 3.09Å; Q41-K95 HydrophobicContact CG-CB 3.82Å; Q41-K95 HydrophobicContact CG-CG 4.28Å; P93-K95 PolarHBondContact O-N 3.42Å; K95-Y101 WeakPolarHBondContact O-CE2 3.33Å; K95-Y101 VanDerWaalsContact O-CZ 3.27Å; K95-Y101 PolarHBondContact O-OH 3.37Å
96T94.9Very high95.4Very high87 Ų8735.5 Ų35.553%0.53420%0.198SC..  trans-66.8154.7-17859.10000113.3F94 N224F94-T96 PolarHBondContact O-N 2.93Å; T96-N224 WeakPolarHBondContact CA-OD1 3.25Å; T96-N224 WeakPolarHBondContact CB-OD1 3.39Å; T96-N224 WeakPolarHBondContact CG2-OD1 3.35Å
97K92.4Very high95.7Very high63 Ų6335.5 Ų35.527%0.27420%0.198SC..  trans-148.3126.2175.6-176.6177.6-176.2-179.40108.8S99 G100 Y101 N224K97-S99 VanDerWaalsContact CE-OG 3.23Å; K97-S99 WeakPolarHBondContact CE-OG 3.41Å; K97-S99 PolarHBondContact O-N 3.14Å; K97-S99 VanDerWaalsContact O-N 3.15Å; K97-G100 WeakPolarHBondContact O-CA 3.36Å; K97-G100 PolarHBondContact O-N 3.34Å; K97-Y101 HydrophobicContact CB-CD2 4.16Å; K97-Y101 HydrophobicContact CB-CE1 4.16Å; K97-Y101 HydrophobicContact CB-CE2 3.56Å; K97-Y101 HydrophobicContact CD-CD1 3.87Å; K97-Y101 HydrophobicContact CD-CE1 3.66Å; K97-Y101 HydrophobicContact CD-CE2 4.49Å; K97-Y101 HydrophobicContact CD-CG 4.46Å; K97-N224 PolarHBondContact N-OD1 3.42Å; K97-N224 VanDerWaalsContact N-OD1 3.16Å
98D87.8Confident96Very high176 Ų17632.4 Ų32.494%0.94118%0.178SC*.THydrogen-bonded Turntrans-57.2-33.4-174.6-64.5-20.3000113.7G100D98-G100 VanDerWaalsContact C-N 3.27Å; D98-G100 PolarHBondContact O-N 3.27Å
99S91.2Very high96.2Very high63 Ų6332 Ų3244%0.44118%0.176SC..THydrogen-bonded Turntrans-80.3-6.9176.567.60000114.1K97K97-S99 VanDerWaalsContact CE-OG 3.23Å; K97-S99 WeakPolarHBondContact CE-OG 3.41Å; K97-S99 PolarHBondContact O-N 3.14Å; K97-S99 VanDerWaalsContact O-N 3.15Å
100G96.1Very high96.3Very high3 Ų332.3 Ų32.33%0.03118%0.175CC..  trans66.9169.8-161.200000113.2K97 D98 N224K97-G100 WeakPolarHBondContact O-CA 3.36Å; K97-G100 PolarHBondContact O-N 3.34Å; D98-G100 VanDerWaalsContact C-N 3.27Å; D98-G100 PolarHBondContact O-N 3.27Å; G100-N224 CarbonylContact C-O 3.58Å; G100-N224 VanDerWaalsContact CA-O 3.26Å; G100-N224 WeakPolarHBondContact CA-O 3.46Å
101Y98.4Very high96.3Very high2 Ų230 Ų301%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-101.5144172-63.4-83.2000111.3P39 F94 K95 K97 G128 N224 D226P39-Y101 HydrophobicContact CB-CE1 3.93Å; P39-Y101 HydrophobicContact CB-CE2 4.37Å; P39-Y101 HydrophobicContact CG-CD1 3.82Å; P39-Y101 HydrophobicContact CG-CE1 3.54Å; P39-Y101 HydrophobicContact CG-CE2 4.31Å; P39-Y101 HydrophobicContact CG-CG 4.25Å; F94-Y101 AromaticContact CE1-CD2 3.91Å; F94-Y101 HydrophobicContact CE1-CD2 3.91Å; F94-Y101 AromaticContact CE1-CE2 3.68Å; F94-Y101 HydrophobicContact CE1-CE2 3.68Å; F94-Y101 AromaticContact CZ-CD2 3.67Å; F94-Y101 HydrophobicContact CZ-CD2 3.67Å; F94-Y101 AromaticContact CZ-CE2 3.86Å; F94-Y101 HydrophobicContact CZ-CE2 3.86Å; K95-Y101 WeakPolarHBondContact O-CE2 3.33Å; K95-Y101 VanDerWaalsContact O-CZ 3.27Å; K95-Y101 PolarHBondContact O-OH 3.37Å; K97-Y101 HydrophobicContact CB-CD2 4.16Å; K97-Y101 HydrophobicContact CB-CE1 4.16Å; K97-Y101 HydrophobicContact CB-CE2 3.56Å; K97-Y101 HydrophobicContact CD-CD1 3.87Å; K97-Y101 HydrophobicContact CD-CE1 3.66Å; K97-Y101 HydrophobicContact CD-CE2 4.49Å; K97-Y101 HydrophobicContact CD-CG 4.46Å; Y101-G128 WeakPolarHBondContact CD1-O 3.42Å; Y101-N224 PolarHBondContact N-O 3.11Å; Y101-D226 PolarHBondContact O-N 2.93Å
102P98.6Very high96.5Very high7 Ų728.1 Ų28.15%0.04516%0.158CC..EExtended strand (participates in β ladder)trans-58.1149.1168.726.8-36.3000111.5G128 F129 V130 R229 L361 L363P102-G128 WeakPolarHBondContact CD-O 3.47Å; P102-F129 HydrophobicContact CB-CD1 3.77Å; P102-F129 HydrophobicContact CB-CE1 3.89Å; P102-F129 HydrophobicContact CG-CD1 3.41Å; P102-F129 VanDerWaalsContact CG-CD1 3.41Å; P102-F129 HydrophobicContact CG-CE1 3.59Å; P102-F129 HydrophobicContact CG-CG 4.01Å; P102-F129 HydrophobicContact CG-CZ 4.31Å; P102-V130 PolarHBondContact O-N 3.4Å; P102-R229 WeakPolarHBondContact CA-O 3.38Å; P102-R229 HydrophobicContact CB-CB 3.92Å; P102-L361 HydrophobicContact CB-CD1 4.28Å; P102-L363 HydrophobicContact CB-CD2 4.16Å; P102-L363 HydrophobicContact CG-CD2 3.99Å
103L98.9Very high96.7Very high0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-108.4136.4-177.9175.962000111.3I105 V130 A132 L196 L199 I225 M227 R229 V230 A231L103-I105 HydrophobicContact CD1-CD1 4.15Å; L103-I105 HydrophobicContact CD2-CD1 4.07Å; L103-I105 HydrophobicContact CG-CD1 4.15Å; L103-V130 CarbonylContact C-O 3.6Å; L103-V130 WeakPolarHBondContact CA-O 3.37Å; L103-V130 HydrophobicContact CD1-CB 4.27Å; L103-V130 HydrophobicContact CD1-CG1 3.98Å; L103-A132 HydrophobicContact CD1-CB 4.46Å; L103-L196 HydrophobicContact CD2-CD1 3.75Å; L103-L199 HydrophobicContact CD1-CD1 3.66Å; L103-L199 HydrophobicContact CD2-CB 4.42Å; L103-L199 HydrophobicContact CD2-CD1 3.89Å; L103-L199 HydrophobicContact CG-CD1 4.45Å; L103-I225 HydrophobicContact CB-CG2 3.79Å; L103-I225 HydrophobicContact CD2-CG2 4.33Å; L103-I225 HydrophobicContact CG-CG2 4.49Å; L103-M227 HydrophobicContact CD2-CE 4.36Å; L103-M227 HydrophobicContact CD2-SD 4.45Å; L103-R229 PolarHBondContact N-O 3.08Å; L103-V230 HydrophobicContact CB-CG1 4.14Å; L103-V230 HydrophobicContact CB-CG2 4.34Å; L103-V230 HydrophobicContact CD2-CG1 4.01Å; L103-V230 HydrophobicContact CG-CG1 4.07Å; L103-V230 CarbonylContact O-C 3.53Å; L103-V230 WeakPolarHBondContact O-CA 3.31Å; L103-A231 PolarHBondContact O-N 2.78Å
104I98.9Very high96.9Very high0 Ų025.6 Ų25.60%014%0.14CC..EExtended strand (participates in β ladder)trans-118.5123.9168.9-65.6168.8000108.6F106 L124 F129 V130 V131 A132 A231 M233 L357I104-F106 HydrophobicContact CG2-CB 4.44Å; I104-L124 HydrophobicContact CD1-CB 4.44Å; I104-L124 HydrophobicContact CD1-CD1 3.97Å; I104-L124 HydrophobicContact CD1-CD2 4.16Å; I104-L124 HydrophobicContact CD1-CG 4.43Å; I104-F129 HydrophobicContact CD1-CB 4Å; I104-F129 HydrophobicContact CD1-CD1 3.44Å; I104-F129 VanDerWaalsContact CD1-CD1 3.44Å; I104-F129 HydrophobicContact CD1-CE1 3.99Å; I104-F129 HydrophobicContact CD1-CG 3.78Å; I104-F129 HydrophobicContact CG1-CD1 3.82Å; I104-F129 HydrophobicContact CG1-CE1 4.42Å; I104-F129 HydrophobicContact CG1-CG 4.49Å; I104-V130 PolarHBondContact N-O 3.43Å; I104-V131 HydrophobicContact CB-CG1 4.26Å; I104-V131 HydrophobicContact CB-CG2 4.32Å; I104-V131 HydrophobicContact CD1-CG2 4.37Å; I104-V131 HydrophobicContact CG2-CG1 4.09Å; I104-V131 CarbonylContact O-C 3.54Å; I104-V131 WeakPolarHBondContact O-CA 3.27Å; I104-A132 PolarHBondContact O-N 2.94Å; I104-A231 WeakPolarHBondContact CA-O 3.42Å; I104-A231 HydrophobicContact CG1-CB 4.43Å; I104-M233 HydrophobicContact CB-SD 4.5Å; I104-M233 HydrophobicContact CD1-SD 3.83Å; I104-M233 HydrophobicContact CG1-SD 4.23Å; I104-M233 HydrophobicContact CG2-CB 4.01Å; I104-M233 HydrophobicContact CG2-CG 3.65Å; I104-M233 HydrophobicContact CG2-SD 3.49Å; I104-M233 WeakPolarHBondContact CG2-SD 3.38Å; I104-L357 HydrophobicContact CD1-CD1 3.92Å
105I98.9Very high97Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-93.3114.7163.7-54.3-57.8000108.2L103 A132 P134 C192 V195 L199 A231 V232 M233 F252L103-I105 HydrophobicContact CD1-CD1 4.15Å; L103-I105 HydrophobicContact CD2-CD1 4.07Å; L103-I105 HydrophobicContact CG-CD1 4.15Å; I105-A132 CarbonylContact C-O 3.53Å; I105-A132 WeakPolarHBondContact CA-O 3.23Å; I105-A132 HydrophobicContact CD1-CB 3.82Å; I105-P134 HydrophobicContact CG2-CG 3.9Å; I105-C192 HydrophobicContact CG2-CB 3.84Å; I105-V195 HydrophobicContact CD1-CG1 4.05Å; I105-L199 HydrophobicContact CD1-CD1 4.24Å; I105-A231 PolarHBondContact N-O 2.8Å; I105-V232 HydrophobicContact CB-CG2 4.47Å; I105-V232 CarbonylContact O-C 3.57Å; I105-V232 WeakPolarHBondContact O-CA 3.39Å; I105-M233 PolarHBondContact O-N 2.79Å; I105-F252 HydrophobicContact CB-CE1 4.24Å; I105-F252 HydrophobicContact CB-CZ 4.43Å; I105-F252 HydrophobicContact CG1-CE1 3.83Å; I105-F252 HydrophobicContact CG1-CZ 4.11Å
106F98.9Very high97Very high0 Ų021.4 Ų21.40%012%0.122CC..EExtended strand (participates in β ladder)trans-106.1116.2-177.2-167.6-72.7000111.7I104 Y117 V131 A132 V133 P134 M233 H235 L258I104-F106 HydrophobicContact CG2-CB 4.44Å; F106-Y117 HydrophobicContact CD1-CG 4.26Å; F106-Y117 AromaticContact CE1-CD1 3.55Å; F106-Y117 HydrophobicContact CE1-CD1 3.55Å; F106-Y117 AromaticContact CE1-CD2 3.88Å; F106-Y117 HydrophobicContact CE1-CD2 3.88Å; F106-Y117 HydrophobicContact CE1-CE1 4.16Å; F106-Y117 HydrophobicContact CE1-CE2 4.49Å; F106-Y117 AromaticContact CE1-CG 3.38Å; F106-Y117 HydrophobicContact CE1-CG 3.38Å; F106-Y117 AromaticContact CZ-CD1 3.63Å; F106-Y117 HydrophobicContact CZ-CD1 3.63Å; F106-Y117 HydrophobicContact CZ-CE1 4.36Å; F106-Y117 AromaticContact CZ-CG 3.85Å; F106-Y117 HydrophobicContact CZ-CG 3.85Å; F106-V131 HydrophobicContact CB-CG1 4.11Å; F106-A132 PolarHBondContact N-O 2.98Å; F106-V133 HydrophobicContact CB-CG2 4.25Å; F106-V133 HydrophobicContact CD1-CG1 4.28Å; F106-V133 WeakPolarHBondContact O-CA 3.43Å; F106-V133 WeakPolarHBondContact O-CG1 3.5Å; F106-P134 WeakPolarHBondContact O-CD 3.49Å; F106-M233 CarbonylContact C-O 3.6Å; F106-M233 VanDerWaalsContact CA-O 3.31Å; F106-M233 WeakPolarHBondContact CA-O 2.93Å; F106-M233 HydrophobicContact CD2-CB 3.72Å; F106-M233 HydrophobicContact CE2-CB 4.24Å; F106-M233 HydrophobicContact CG-CB 4.42Å; F106-H235 HydrophobicContact CZ-CB 4.44Å; F106-L258 HydrophobicContact CE2-CD1 3.96Å; F106-L258 HydrophobicContact CZ-CD1 3.96Å
107S98.9Very high97.2Very high0 Ų017.5 Ų17.50%010%0.098CC..EExtended strand (participates in β ladder)trans-94.3128.8178.8-179.50000112.1H136 R188 M233 G234 H235 G238S107-H136 PolarHBondContact OG-NE2 2.91Å; S107-R188 PolarHBondContact OG-NH1 2.93Å; S107-M233 PolarHBondContact N-O 2.98Å; S107-G234 WeakPolarHBondContact O-CA 3.34Å; S107-H235 PolarHBondContact O-N 3.4Å; S107-H235 VanDerWaalsContact O-N 3.16Å; S107-G238 WeakPolarHBondContact O-CA 3.34Å; S107-G238 VanDerWaalsContact OG-CA 3.27Å; S107-G238 WeakPolarHBondContact OG-CA 3.38Å
108H98.9Very high97.4Very high0 Ų014.5 Ų14.50%09%0.085CC..  trans-74.2161.3178.96779.4000112.9A112 Y117 P134 H136 R188 G238H108-A112 HydrophobicContact CB-CB 4.11Å; H108-A112 PolarHBondContact CE1-O 2.83Å; H108-A112 PolarHBondContact ND1-O 2.92Å; H108-Y117 HydrophobicContact CB-CD2 4.06Å; H108-Y117 HydrophobicContact CB-CE2 3.48Å; H108-Y117 VanDerWaalsContact CB-CE2 3.48Å; H108-P134 PolarHBondContact CD2-O 3.07Å; H108-P134 VanDerWaalsContact CD2-O 3.22Å; H108-H136 AromaticContact CD2-CD2 3.53Å; H108-H136 AromaticContact CE1-CD2 3.8Å; H108-H136 AromaticContact NE2-CD2 3.37Å; H108-H136 PolarHBondContact NE2-CD2 2.98Å; H108-H136 AromaticContact NE2-CG 3.76Å; H108-H136 PolarHBondContact NE2-N 3.44Å; H108-R188 PolarHBondContact CE1-NH2 2.79Å; H108-R188 PolarHBondContact ND1-NH2 3.49Å; H108-R188 VanDerWaalsContact O-CZ 3.28Å; H108-R188 PolarHBondContact O-NH1 3.39Å; H108-R188 PolarHBondContact O-NH2 2.82Å; H108-G238 WeakPolarHBondContact O-CA 3.48Å; H108-G238 PolarHBondContact O-N 3.19Å
109G98.6Very high97.9Very high1 Ų16.2 Ų6.21%0.014%0.041CC..  trans-76.1175172.200000115A112 Y117 H235G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.67Å; G109-Y117 PolarHBondContact N-OH 3.42Å; G109-H235 WeakPolarHBondContact CA-O 3.33Å; G109-H235 PolarHBondContact N-O 3.32Å
110L98.3Very high98.2Very high32 Ų323.3 Ų3.317%0.1682%0.02CC..THydrogen-bonded Turntrans-62.3136.1173.9-171.871.5000110.4Y65 A112 F168 F237 W261Y65-L110 HydrophobicContact CE2-CG 4.35Å; L110-A112 PolarHBondContact O-N 3.08Å; L110-F168 HydrophobicContact CD1-CE2 3.64Å; L110-F168 HydrophobicContact CD1-CZ 4.36Å; L110-F168 HydrophobicContact CG-CE2 3.99Å; L110-F168 HydrophobicContact CG-CZ 4.44Å; L110-F237 HydrophobicContact CB-CB 4.22Å; L110-F237 HydrophobicContact CB-CD1 4.07Å; L110-F237 HydrophobicContact CD1-CD1 3.77Å; L110-F237 HydrophobicContact CD1-CE1 4.02Å; L110-W261 HydrophobicContact CD2-CH2 4.42Å; L110-W261 HydrophobicContact CD2-CZ3 4.16Å
111G97.4Very high98.3Very high3 Ų33.2 Ų3.23%0.0312%0.019CC..THydrogen-bonded Turntrans70.8-1.2-176.200000114.5S140 A142G111-S140 WeakPolarHBondContact CA-O 3.11Å; G111-S140 PolarHBondContact N-O 3.22Å; G111-A142 WeakPolarHBondContact O-CB 3.36Å
112A98Very high98.3Very high8 Ų83.1 Ų3.17%0.0662%0.019CC..  trans-93.7-174.2173.800000111.5H108 G109 L110 L116 Y117 A141 A142H108-A112 HydrophobicContact CB-CB 4.11Å; H108-A112 PolarHBondContact CE1-O 2.83Å; H108-A112 PolarHBondContact ND1-O 2.92Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.67Å; L110-A112 PolarHBondContact O-N 3.08Å; A112-L116 HydrophobicContact CB-CB 4.49Å; A112-L116 HydrophobicContact CB-CD1 3.88Å; A112-Y117 HydrophobicContact CB-CE2 3.83Å; A112-A141 WeakPolarHBondContact O-CA 3.45Å; A112-A141 WeakPolarHBondContact O-CB 3.22Å; A112-A142 PolarHBondContact O-N 2.91Å
113F98.6Very high98.3Very high0 Ų03.5 Ų3.50%02%0.02CC..  trans-159.6180175.840.9-93.7000109I53 Y58 L62 T115 L116 E135 A142I53-F113 HydrophobicContact CD1-CE2 4.48Å; I53-F113 HydrophobicContact CD1-CZ 4.16Å; I53-F113 HydrophobicContact CG1-CE2 4.45Å; I53-F113 HydrophobicContact CG2-CE2 4.48Å; Y58-F113 HydrophobicContact CD1-CB 4.37Å; Y58-F113 AromaticContact CD1-CD1 3.76Å; Y58-F113 HydrophobicContact CD1-CD1 3.76Å; Y58-F113 AromaticContact CD1-CD2 3.76Å; Y58-F113 HydrophobicContact CD1-CD2 3.76Å; Y58-F113 AromaticContact CD1-CE1 3.88Å; Y58-F113 HydrophobicContact CD1-CE1 3.88Å; Y58-F113 AromaticContact CD1-CE2 3.89Å; Y58-F113 HydrophobicContact CD1-CE2 3.89Å; Y58-F113 AromaticContact CD1-CG 3.7Å; Y58-F113 HydrophobicContact CD1-CG 3.7Å; Y58-F113 AromaticContact CD1-CZ 3.95Å; Y58-F113 HydrophobicContact CD1-CZ 3.95Å; Y58-F113 HydrophobicContact CE1-CB 4.14Å; Y58-F113 HydrophobicContact CE1-CD1 4.35Å; Y58-F113 HydrophobicContact CE1-CD2 4.06Å; Y58-F113 AromaticContact CE1-CG 3.93Å; Y58-F113 HydrophobicContact CE1-CG 3.93Å; Y58-F113 HydrophobicContact CG-CD2 4.25Å; Y58-F113 HydrophobicContact CG-CE1 4.37Å; Y58-F113 AromaticContact CG-CE2 3.98Å; Y58-F113 HydrophobicContact CG-CE2 3.98Å; Y58-F113 HydrophobicContact CG-CZ 4.05Å; L62-F113 HydrophobicContact CD1-CE1 4.04Å; L62-F113 HydrophobicContact CD1-CZ 3.85Å; L62-F113 HydrophobicContact CD2-CE1 3.82Å; L62-F113 HydrophobicContact CD2-CZ 4.4Å; L62-F113 HydrophobicContact CG-CE1 3.76Å; L62-F113 HydrophobicContact CG-CZ 4.11Å; F113-T115 WeakPolarHBondContact CD2-OG1 3.48Å; F113-T115 WeakPolarHBondContact CE2-OG1 3.34Å; F113-T115 PolarHBondContact O-N 3.33Å; F113-L116 HydrophobicContact CD1-CD1 3.96Å; F113-L116 HydrophobicContact CD2-CD1 4.24Å; F113-L116 HydrophobicContact CD2-CG 3.96Å; F113-L116 HydrophobicContact CE1-CD1 3.69Å; F113-L116 HydrophobicContact CE1-CG 4.32Å; F113-L116 HydrophobicContact CE2-CD1 3.98Å; F113-L116 HydrophobicContact CE2-CD2 3.89Å; F113-L116 HydrophobicContact CE2-CG 3.68Å; F113-L116 HydrophobicContact CG-CD1 4.22Å; F113-L116 HydrophobicContact CG-CG 4.4Å; F113-L116 HydrophobicContact CZ-CD1 3.69Å; F113-L116 HydrophobicContact CZ-CD2 3.95Å; F113-L116 HydrophobicContact CZ-CG 3.87Å; F113-L116 PolarHBondContact O-N 3.43Å; F113-E135 HydrophobicContact CB-CG 4.16Å; F113-E135 WeakPolarHBondContact CB-OE2 3.36Å; F113-A142 HydrophobicContact CD1-CB 4.09Å; F113-A142 HydrophobicContact CE1-CB 4.11Å
114R98.5Very high98.3Very high3 Ų33.5 Ų3.51%0.0112%0.02CC..THydrogen-bonded Turntrans-60.7-14.8-164.474.5-170.1-175.8-83.14.1115.9D22 F33 R35 Y58 V133 E135D22-R114 VanDerWaalsContact CG-NE 3.32Å; D22-R114 IonicContact OD1-CZ 3.83Å; D22-R114 IonicContact OD1-NE 3.71Å; D22-R114 PolarHBondContact OD1-NE 2.77Å; D22-R114 IonicContact OD1-NH2 3.73Å; D22-R114 IonicContact OD2-CZ 3.82Å; D22-R114 IonicContact OD2-NE 3.4Å; D22-R114 PolarHBondContact OD2-NE 3.19Å; D22-R114 IonicContact OD2-NH2 3.04Å; D22-R114 PolarHBondContact OD2-NH2 3.22Å; F33-R114 VanDerWaalsContact CE2-CZ 3.49Å; R35-R114 HydrophobicContact CB-CB 4.25Å; R35-R114 HydrophobicContact CB-CG 3.99Å; Y58-R114 PolarHBondContact OH-NH1 2.93Å; R114-V133 HydrophobicContact CB-CB 4.36Å; R114-V133 HydrophobicContact CB-CG1 4.17Å; R114-V133 WeakPolarHBondContact CB-O 3.19Å; R114-V133 WeakPolarHBondContact O-CG1 3.44Å; R114-E135 HydrophobicContact CB-CB 4.05Å; R114-E135 HydrophobicContact CG-CB 4.44Å; R114-E135 VanDerWaalsContact CG-OE2 3.25Å; R114-E135 WeakPolarHBondContact CG-OE2 3.37Å; R114-E135 IonicContact CZ-OE2 3.75Å; R114-E135 PolarHBondContact N-OE2 3.24Å; R114-E135 VanDerWaalsContact NH1-CD 3.31Å; R114-E135 IonicContact NH1-OE1 2.92Å; R114-E135 PolarHBondContact NH1-OE1 3Å; R114-E135 IonicContact NH1-OE2 3.91Å; R114-E135 PolarHBondContact NH1-OE2 3.48Å
115T97.8Very high98.3Very high0 Ų03.5 Ų3.50%02%0.02CC..THydrogen-bonded Turntrans-1041-173.8750000114.6R35 W52 F113 S118R35-T115 VanDerWaalsContact CZ-CG2 3.42Å; W52-T115 PolarHBondContact NE1-O 2.98Å; W52-T115 WeakPolarHBondContact O-CB 3.33Å; W52-T115 PolarHBondContact O-OG1 3.01Å; F113-T115 WeakPolarHBondContact CD2-OG1 3.48Å; F113-T115 WeakPolarHBondContact CE2-OG1 3.34Å; F113-T115 PolarHBondContact O-N 3.33Å; T115-S118 PolarHBondContact O-OG 3.28Å
116L97.1Very high98.3Very high2 Ų23.5 Ų3.51%0.012%0.02CC..THydrogen-bonded Turntrans-95.812.5-173.5-62.7179.6000115.3W52 I53 L62 A112 F113 D319 F320W52-L116 HydrophobicContact CH2-CD2 4.47Å; W52-L116 HydrophobicContact CZ2-CD2 3.53Å; I53-L116 HydrophobicContact CD1-CD2 4.18Å; I53-L116 HydrophobicContact CG1-CD2 4.47Å; L62-L116 HydrophobicContact CD2-CD1 4.32Å; A112-L116 HydrophobicContact CB-CB 4.49Å; A112-L116 HydrophobicContact CB-CD1 3.88Å; F113-L116 HydrophobicContact CD1-CD1 3.96Å; F113-L116 HydrophobicContact CD2-CD1 4.24Å; F113-L116 HydrophobicContact CD2-CG 3.96Å; F113-L116 HydrophobicContact CE1-CD1 3.69Å; F113-L116 HydrophobicContact CE1-CG 4.32Å; F113-L116 HydrophobicContact CE2-CD1 3.98Å; F113-L116 HydrophobicContact CE2-CD2 3.89Å; F113-L116 HydrophobicContact CE2-CG 3.68Å; F113-L116 HydrophobicContact CG-CD1 4.22Å; F113-L116 HydrophobicContact CG-CG 4.4Å; F113-L116 HydrophobicContact CZ-CD1 3.69Å; F113-L116 HydrophobicContact CZ-CD2 3.95Å; F113-L116 HydrophobicContact CZ-CG 3.87Å; F113-L116 PolarHBondContact O-N 3.43Å; L116-D319 WeakPolarHBondContact CA-OD2 3.21Å; L116-D319 VanDerWaalsContact O-CG 3.3Å; L116-D319 PolarHBondContact O-N 2.95Å; L116-F320 HydrophobicContact CD1-CE2 3.97Å; L116-F320 HydrophobicContact CD1-CZ 4.49Å; L116-F320 HydrophobicContact CD2-CE2 4.07Å; L116-F320 HydrophobicContact CD2-CZ 4.15Å
117Y98.2Very high98.2Very high4 Ų45.5 Ų5.52%0.0163%0.027CC..THydrogen-bonded Turntrans-132.322.7177.9-57.8-89.2000111.9F106 H108 G109 A112 A119 F120 C121 H235 Q317 T318 D319F106-Y117 HydrophobicContact CD1-CG 4.26Å; F106-Y117 AromaticContact CE1-CD1 3.55Å; F106-Y117 HydrophobicContact CE1-CD1 3.55Å; F106-Y117 AromaticContact CE1-CD2 3.88Å; F106-Y117 HydrophobicContact CE1-CD2 3.88Å; F106-Y117 HydrophobicContact CE1-CE1 4.16Å; F106-Y117 HydrophobicContact CE1-CE2 4.49Å; F106-Y117 AromaticContact CE1-CG 3.38Å; F106-Y117 HydrophobicContact CE1-CG 3.38Å; F106-Y117 AromaticContact CZ-CD1 3.63Å; F106-Y117 HydrophobicContact CZ-CD1 3.63Å; F106-Y117 HydrophobicContact CZ-CE1 4.36Å; F106-Y117 AromaticContact CZ-CG 3.85Å; F106-Y117 HydrophobicContact CZ-CG 3.85Å; H108-Y117 HydrophobicContact CB-CD2 4.06Å; H108-Y117 HydrophobicContact CB-CE2 3.48Å; H108-Y117 VanDerWaalsContact CB-CE2 3.48Å; G109-Y117 PolarHBondContact N-OH 3.42Å; A112-Y117 HydrophobicContact CB-CE2 3.83Å; Y117-A119 PolarHBondContact O-N 2.84Å; Y117-F120 PolarHBondContact O-N 2.95Å; Y117-C121 PolarHBondContact O-N 2.84Å; Y117-C121 VanDerWaalsContact O-N 3.09Å; Y117-C121 PolarHBondContact O-SG 2.85Å; Y117-H235 HydrophobicContact CD1-CB 4.19Å; Y117-H235 HydrophobicContact CE1-CB 3.38Å; Y117-H235 AromaticContact CE1-CG 3.56Å; Y117-H235 AromaticContact CE1-ND1 3.38Å; Y117-H235 WeakPolarHBondContact CE1-ND1 3.22Å; Y117-H235 AromaticContact CZ-ND1 3.54Å; Y117-H235 PolarHBondContact OH-ND1 3.43Å; Y117-Q317 WeakPolarHBondContact CD1-O 3.33Å; Y117-Q317 WeakPolarHBondContact CE1-O 3.48Å; Y117-T318 HydrophobicContact CE1-CG2 3.91Å; Y117-D319 VanDerWaalsContact C-OD1 3.31Å; Y117-D319 WeakPolarHBondContact CA-OD1 3.38Å; Y117-D319 PolarHBondContact N-OD2 2.84Å; Y117-D319 VanDerWaalsContact N-OD2 3.1Å
118S97.8Very high98.2Very high0 Ų05.8 Ų5.80%03%0.03CC..Hα-helixtrans-56.7-38.6-176.4-54.10000111.3L86 T115 F120 C121 M122 D319L86-S118 WeakPolarHBondContact CD1-OG 3.39Å; T115-S118 PolarHBondContact O-OG 3.28Å; S118-F120 PolarHBondContact O-N 2.95Å; S118-C121 PolarHBondContact O-N 3Å; S118-M122 VanDerWaalsContact O-CB 3.26Å; S118-M122 WeakPolarHBondContact O-CB 3.32Å; S118-M122 WeakPolarHBondContact O-CE 3.5Å; S118-M122 WeakPolarHBondContact O-CG 3.44Å; S118-M122 PolarHBondContact O-N 3.02Å; S118-D319 VanDerWaalsContact CB-OD2 3.24Å; S118-D319 WeakPolarHBondContact CB-OD2 3.34Å; S118-D319 PolarHBondContact N-OD1 3.43Å; S118-D319 PolarHBondContact N-OD2 3.46Å; S118-D319 PolarHBondContact OG-OD2 3.37Å
119A97.1Very high98.2Very high2 Ų25.8 Ų5.82%0.0173%0.03CC..Hα-helixtrans-58.6-47.6-178.400000112F9 P10 Y117 E123 D319 F322 Q346F9-A119 HydrophobicContact CD1-CB 4.34Å; P10-A119 HydrophobicContact CG-CB 4.01Å; Y117-A119 PolarHBondContact O-N 2.84Å; A119-E123 PolarHBondContact O-N 2.87Å; A119-D319 WeakPolarHBondContact CB-OD1 3.37Å; A119-D319 PolarHBondContact N-OD1 3.39Å; A119-F322 HydrophobicContact CB-CD2 3.93Å; A119-F322 HydrophobicContact CB-CE2 3.65Å; A119-Q346 PolarHBondContact O-NE2 2.85Å
120F98.2Very high98.2Very high3 Ų35.8 Ų5.81%0.0133%0.03CC..Hα-helixtrans-65.1-46173.8-73.4-66.3000112.1Y117 S118 M122 E123 L124 L258 Q317 Q346 M349 V350 M353Y117-F120 PolarHBondContact O-N 2.95Å; S118-F120 PolarHBondContact O-N 2.95Å; F120-M122 PolarHBondContact O-N 3.45Å; F120-E123 PolarHBondContact O-N 3.36Å; F120-L124 WeakPolarHBondContact O-CB 3.23Å; F120-L124 VanDerWaalsContact O-CG 3.28Å; F120-L124 WeakPolarHBondContact O-CG 3.43Å; F120-L124 PolarHBondContact O-N 3.3Å; F120-L258 HydrophobicContact CD2-CD1 4.43Å; F120-L258 HydrophobicContact CE2-CD1 4.29Å; F120-Q317 HydrophobicContact CE2-CB 4.31Å; F120-Q346 HydrophobicContact CD1-CG 4.28Å; F120-Q346 HydrophobicContact CE1-CG 4Å; F120-M349 HydrophobicContact CE1-CB 4.05Å; F120-M349 HydrophobicContact CE1-CE 4.49Å; F120-M349 HydrophobicContact CZ-CB 4.41Å; F120-M349 HydrophobicContact CZ-CE 3.82Å; F120-M349 HydrophobicContact CZ-SD 4.23Å; F120-V350 HydrophobicContact CD1-CG2 3.62Å; F120-V350 HydrophobicContact CE1-CG2 3.95Å; F120-M353 HydrophobicContact CD1-CE 3.69Å; F120-M353 HydrophobicContact CD1-SD 4.32Å; F120-M353 HydrophobicContact CE1-CE 3.36Å; F120-M353 HydrophobicContact CZ-CE 4.06Å
121C98.7Very high98.2Very high0 Ų04.2 Ų4.20%02%0.022CC..Hα-helixtrans-66.4-38-174.9-59.80000112.3F37 Y117 S118 A125 V131 V133F37-C121 HydrophobicContact CB-CB 4.21Å; F37-C121 HydrophobicContact CD1-CB 4.28Å; F37-C121 HydrophobicContact CD2-CB 3.29Å; F37-C121 HydrophobicContact CE2-CB 3.56Å; F37-C121 HydrophobicContact CG-CB 3.68Å; F37-C121 HydrophobicContact CZ-CB 4.17Å; Y117-C121 PolarHBondContact O-N 2.84Å; Y117-C121 VanDerWaalsContact O-N 3.09Å; Y117-C121 PolarHBondContact O-SG 2.85Å; S118-C121 PolarHBondContact O-N 3Å; C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.36Å; C121-A125 PolarHBondContact O-N 3.38Å; C121-V131 HydrophobicContact CB-CB 4.38Å; C121-V131 HydrophobicContact CB-CG1 4.06Å; C121-V133 VanDerWaalsContact SG-CG2 3.6Å
122M98.3Very high98.3Very high1 Ų14.1 Ų4.11%0.0052%0.02CC..Hα-helixtrans-64.7-47.4175.6-69.4-177.9-54.600111F9 V12 V18 F37 L86 P87 V88 S118 F120 A125 S126F9-M122 HydrophobicContact CB-CE 4.16Å; F9-M122 HydrophobicContact CD1-CE 3.87Å; F9-M122 HydrophobicContact CG-CE 4.27Å; V12-M122 HydrophobicContact CG1-CB 3.68Å; V18-M122 WeakPolarHBondContact CG2-O 3.25Å; F37-M122 HydrophobicContact CD1-CG 3.79Å; F37-M122 HydrophobicContact CE1-CG 3.63Å; L86-M122 HydrophobicContact CB-SD 4.24Å; L86-M122 HydrophobicContact CD2-SD 4.48Å; P87-M122 HydrophobicContact CG-SD 4.33Å; V88-M122 HydrophobicContact CG1-CB 4.49Å; V88-M122 HydrophobicContact CG1-CG 3.69Å; V88-M122 HydrophobicContact CG1-SD 3.47Å; V88-M122 WeakPolarHBondContact CG1-SD 3.3Å; S118-M122 VanDerWaalsContact O-CB 3.26Å; S118-M122 WeakPolarHBondContact O-CB 3.32Å; S118-M122 WeakPolarHBondContact O-CE 3.5Å; S118-M122 WeakPolarHBondContact O-CG 3.44Å; S118-M122 PolarHBondContact O-N 3.02Å; F120-M122 PolarHBondContact O-N 3.45Å; M122-A125 PolarHBondContact O-N 2.78Å; M122-S126 WeakPolarHBondContact O-CB 3.43Å; M122-S126 PolarHBondContact O-N 3.09Å
123E98.4Very high98.3Very high14 Ų143.7 Ų3.77%0.0652%0.017CC..Hα-helixtrans-64.8-44.9179.7-179.857.6-151.900111.2V12 T13 A119 F120 A125 S126 R127 V350V12-E123 VanDerWaalsContact CA-OE2 3.31Å; V12-E123 WeakPolarHBondContact CA-OE2 3.48Å; T13-E123 PolarHBondContact N-OE2 2.79Å; T13-E123 PolarHBondContact OG1-OE1 2.94Å; T13-E123 PolarHBondContact OG1-OE2 2.59Å; A119-E123 PolarHBondContact O-N 2.87Å; F120-E123 PolarHBondContact O-N 3.36Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.19Å; E123-S126 PolarHBondContact O-N 2.85Å; E123-S126 PolarHBondContact O-OG 2.95Å; E123-R127 WeakPolarHBondContact O-CG 3.44Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E123-R127 IonicContact OE1-CZ 3.72Å; E123-R127 IonicContact OE1-NE 2.95Å; E123-R127 PolarHBondContact OE1-NE 3.1Å; E123-R127 IonicContact OE1-NH2 3.61Å; E123-V350 HydrophobicContact CB-CG2 4.37Å; E123-V350 HydrophobicContact CG-CB 4.3Å; E123-V350 HydrophobicContact CG-CG1 3.5Å; E123-V350 HydrophobicContact CG-CG2 4.06Å
124L98.8Very high98.3Very high0 Ų03.9 Ų3.90%02%0.018CC..Hα-helixtrans-59.4-42.8174.1-70.6167.6000111.8I104 F120 S126 R127 G128 F129 V131 M233 L354 L357I104-L124 HydrophobicContact CD1-CB 4.44Å; I104-L124 HydrophobicContact CD1-CD1 3.97Å; I104-L124 HydrophobicContact CD1-CD2 4.16Å; I104-L124 HydrophobicContact CD1-CG 4.43Å; F120-L124 WeakPolarHBondContact O-CB 3.23Å; F120-L124 VanDerWaalsContact O-CG 3.28Å; F120-L124 WeakPolarHBondContact O-CG 3.43Å; F120-L124 PolarHBondContact O-N 3.3Å; L124-S126 PolarHBondContact O-N 3.05Å; L124-R127 CarbonylContact O-C 3.58Å; L124-R127 WeakPolarHBondContact O-CB 3.01Å; L124-R127 PolarHBondContact O-N 3.23Å; L124-R127 VanDerWaalsContact O-N 3.13Å; L124-G128 PolarHBondContact O-N 2.77Å; L124-F129 WeakPolarHBondContact O-CB 3.35Å; L124-F129 WeakPolarHBondContact O-CD2 3.21Å; L124-F129 PolarHBondContact O-N 2.97Å; L124-V131 HydrophobicContact CB-CG2 3.81Å; L124-M233 HydrophobicContact CD1-CE 4.2Å; L124-M233 HydrophobicContact CD1-SD 4.11Å; L124-L354 HydrophobicContact CD2-CD2 3.95Å; L124-L357 HydrophobicContact CD2-CD1 4.11Å
125A98.7Very high98.4Very high0 Ų03.9 Ų3.90%02%0.018CC..Hα-helixtrans-64.7-39.3175.900000112.7V18 F37 P39 C121 M122 E123 R127 G128 F129V18-A125 HydrophobicContact CG1-CB 3.8Å; V18-A125 HydrophobicContact CG2-CB 4.16Å; F37-A125 HydrophobicContact CB-CB 3.83Å; P39-A125 WeakPolarHBondContact CG-O 3.47Å; C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.36Å; C121-A125 PolarHBondContact O-N 3.38Å; M122-A125 PolarHBondContact O-N 2.78Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.19Å; A125-R127 PolarHBondContact O-N 3Å; A125-R127 VanDerWaalsContact O-N 3.13Å; A125-G128 PolarHBondContact O-N 2.86Å; A125-F129 VanDerWaalsContact CA-O 3.3Å; A125-F129 WeakPolarHBondContact CA-O 3.07Å
126S98.5Very high98.4Very high0 Ų03.9 Ų3.90%02%0.018CC..Hα-helixtrans-62.9-20.2175.581.20000113G14 P15 H16 M122 E123 L124G14-S126 CarbonylContact C-O 3.31Å; G14-S126 VanDerWaalsContact C-O 3.31Å; G14-S126 WeakPolarHBondContact CA-O 3.41Å; G14-S126 VanDerWaalsContact CA-OG 3.29Å; G14-S126 WeakPolarHBondContact CA-OG 3.23Å; G14-S126 PolarHBondContact N-OG 2.84Å; G14-S126 VanDerWaalsContact N-OG 3.13Å; P15-S126 VanDerWaalsContact CD-O 3.28Å; P15-S126 WeakPolarHBondContact CD-O 3.28Å; H16-S126 WeakPolarHBondContact CB-O 3.49Å; H16-S126 PolarHBondContact CD2-O 2.74Å; H16-S126 VanDerWaalsContact CD2-O 3.27Å; H16-S126 PolarHBondContact N-O 2.82Å; H16-S126 WeakPolarHBondContact O-CA 3.19Å; H16-S126 WeakPolarHBondContact O-CB 3.28Å; M122-S126 WeakPolarHBondContact O-CB 3.43Å; M122-S126 PolarHBondContact O-N 3.09Å; E123-S126 PolarHBondContact O-N 2.85Å; E123-S126 PolarHBondContact O-OG 2.95Å; L124-S126 PolarHBondContact O-N 3.05Å
127R98.1Very high98.5Very high43 Ų434.1 Ų4.116%0.1622%0.019CC..THydrogen-bonded Turntrans-96.810.3179.3-66.5-74179.5177.50.4113.2T13 E123 L124 A125 F129 L354 Y367T13-R127 PolarHBondContact OG1-NH2 3.16Å; E123-R127 WeakPolarHBondContact O-CG 3.44Å; E123-R127 PolarHBondContact O-N 3.26Å; E123-R127 VanDerWaalsContact O-N 3.16Å; E123-R127 IonicContact OE1-CZ 3.72Å; E123-R127 IonicContact OE1-NE 2.95Å; E123-R127 PolarHBondContact OE1-NE 3.1Å; E123-R127 IonicContact OE1-NH2 3.61Å; L124-R127 CarbonylContact O-C 3.58Å; L124-R127 WeakPolarHBondContact O-CB 3.01Å; L124-R127 PolarHBondContact O-N 3.23Å; L124-R127 VanDerWaalsContact O-N 3.13Å; A125-R127 PolarHBondContact O-N 3Å; A125-R127 VanDerWaalsContact O-N 3.13Å; R127-F129 HydrophobicContact CB-CD2 4.38Å; R127-L354 HydrophobicContact CB-CD2 4Å; R127-L354 HydrophobicContact CG-CD1 3.93Å; R127-L354 HydrophobicContact CG-CD2 4.28Å; R127-Y367 WeakPolarHBondContact CB-OH 3.38Å; R127-Y367 WeakPolarHBondContact CD-OH 3.38Å; R127-Y367 PolarHBondContact O-OH 3.21Å
128G97.8Very high98.4Very high5 Ų54.2 Ų4.25%0.0522%0.02CC..THydrogen-bonded Turntrans88.831.4173.400000114.5Y101 P102 L124 A125Y101-G128 WeakPolarHBondContact CD1-O 3.42Å; P102-G128 WeakPolarHBondContact CD-O 3.47Å; L124-G128 PolarHBondContact O-N 2.77Å; A125-G128 PolarHBondContact O-N 2.86Å
129F98.8Very high98.5Very high1 Ų110.7 Ų10.70%0.0044%0.044CC..  trans-110.3146171.3-67.3-98.4000111.4P39 P102 I104 L124 A125 R127 V131 L354 L357 L361 L363 Y367P39-F129 WeakPolarHBondContact CD-O 3.2Å; P102-F129 HydrophobicContact CB-CD1 3.77Å; P102-F129 HydrophobicContact CB-CE1 3.89Å; P102-F129 HydrophobicContact CG-CD1 3.41Å; P102-F129 VanDerWaalsContact CG-CD1 3.41Å; P102-F129 HydrophobicContact CG-CE1 3.59Å; P102-F129 HydrophobicContact CG-CG 4.01Å; P102-F129 HydrophobicContact CG-CZ 4.31Å; I104-F129 HydrophobicContact CD1-CB 4Å; I104-F129 HydrophobicContact CD1-CD1 3.44Å; I104-F129 VanDerWaalsContact CD1-CD1 3.44Å; I104-F129 HydrophobicContact CD1-CE1 3.99Å; I104-F129 HydrophobicContact CD1-CG 3.78Å; I104-F129 HydrophobicContact CG1-CD1 3.82Å; I104-F129 HydrophobicContact CG1-CE1 4.42Å; I104-F129 HydrophobicContact CG1-CG 4.49Å; L124-F129 WeakPolarHBondContact O-CB 3.35Å; L124-F129 WeakPolarHBondContact O-CD2 3.21Å; L124-F129 PolarHBondContact O-N 2.97Å; A125-F129 VanDerWaalsContact CA-O 3.3Å; A125-F129 WeakPolarHBondContact CA-O 3.07Å; R127-F129 HydrophobicContact CB-CD2 4.38Å; F129-V131 HydrophobicContact CB-CG2 4.16Å; F129-L354 HydrophobicContact CD2-CD2 4.44Å; F129-L354 HydrophobicContact CE2-CD2 3.65Å; F129-L354 HydrophobicContact CZ-CD2 4.34Å; F129-L357 HydrophobicContact CE1-CB 4.35Å; F129-L357 HydrophobicContact CE1-CD1 4.1Å; F129-L357 HydrophobicContact CZ-CB 4.08Å; F129-L357 HydrophobicContact CZ-CD1 3.98Å; F129-L361 HydrophobicContact CE1-CD1 4.04Å; F129-L363 HydrophobicContact CE1-CD1 3.86Å; F129-L363 HydrophobicContact CE2-CD1 4.25Å; F129-L363 HydrophobicContact CZ-CD1 3.34Å; F129-Y367 HydrophobicContact CE2-CE2 4.33Å
130V98.8Very high98.5Very high0 Ų010.6 Ų10.60%04%0.043CC..EExtended strand (participates in β ladder)trans-87.5124.6158.4175.30000107.3L36 F94 P102 L103 I104 L221 I225L36-V130 HydrophobicContact CD2-CG1 3.85Å; F94-V130 HydrophobicContact CE2-CG2 3.91Å; F94-V130 HydrophobicContact CZ-CG2 4Å; P102-V130 PolarHBondContact O-N 3.4Å; L103-V130 CarbonylContact C-O 3.6Å; L103-V130 WeakPolarHBondContact CA-O 3.37Å; L103-V130 HydrophobicContact CD1-CB 4.27Å; L103-V130 HydrophobicContact CD1-CG1 3.98Å; I104-V130 PolarHBondContact N-O 3.43Å; V130-L221 HydrophobicContact CG1-CD2 4.38Å; V130-I225 HydrophobicContact CG1-CD1 4.33Å; V130-I225 HydrophobicContact CG2-CG1 4.38Å
131V98.9Very high98.5Very high0 Ų010.5 Ų10.50%04%0.043CC..EExtended strand (participates in β ladder)trans-116.8114.2-179.5-170.20000109.1L36 F37 I104 F106 C121 L124 F129 V133L36-V131 CarbonylContact C-O 3.53Å; L36-V131 WeakPolarHBondContact CA-O 3.38Å; F37-V131 HydrophobicContact CB-CB 4.35Å; F37-V131 PolarHBondContact N-O 2.81Å; F37-V131 PolarHBondContact O-N 2.88Å; I104-V131 HydrophobicContact CB-CG1 4.26Å; I104-V131 HydrophobicContact CB-CG2 4.32Å; I104-V131 HydrophobicContact CD1-CG2 4.37Å; I104-V131 HydrophobicContact CG2-CG1 4.09Å; I104-V131 CarbonylContact O-C 3.54Å; I104-V131 WeakPolarHBondContact O-CA 3.27Å; F106-V131 HydrophobicContact CB-CG1 4.11Å; C121-V131 HydrophobicContact CB-CB 4.38Å; C121-V131 HydrophobicContact CB-CG1 4.06Å; L124-V131 HydrophobicContact CB-CG2 3.81Å; F129-V131 HydrophobicContact CB-CG2 4.16Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å
132A98.9Very high98.5Very high0 Ų010.6 Ų10.60%04%0.044CC..EExtended strand (participates in β ladder)trans-102.4126.8174.600000109.9F34 R35 L36 L103 I104 I105 F106 P134 V195 L199F34-A132 HydrophobicContact CD2-CB 4.26Å; R35-A132 CarbonylContact O-C 3.59Å; R35-A132 WeakPolarHBondContact O-CA 3.39Å; L36-A132 HydrophobicContact CD2-CB 3.61Å; L103-A132 HydrophobicContact CD1-CB 4.46Å; I104-A132 PolarHBondContact O-N 2.94Å; I105-A132 CarbonylContact C-O 3.53Å; I105-A132 WeakPolarHBondContact CA-O 3.23Å; I105-A132 HydrophobicContact CD1-CB 3.82Å; F106-A132 PolarHBondContact N-O 2.98Å; A132-P134 WeakPolarHBondContact O-CD 3.24Å; A132-V195 HydrophobicContact CB-CG1 3.85Å; A132-L199 HydrophobicContact CB-CD1 3.84Å
133V98.9Very high98.5Very high0 Ų011 Ų110%05%0.047CC..EExtended strand (participates in β ladder)trans-11594.7-177.2-164.40000109F34 R35 F37 F106 R114 C121 V131F34-V133 CarbonylContact C-O 3.57Å; F34-V133 WeakPolarHBondContact CA-O 3.4Å; F34-V133 WeakPolarHBondContact CB-O 3.4Å; R35-V133 HydrophobicContact CB-CB 4.46Å; R35-V133 PolarHBondContact N-O 3.21Å; R35-V133 PolarHBondContact O-N 3.13Å; F37-V133 HydrophobicContact CD2-CG2 4.29Å; F37-V133 HydrophobicContact CE2-CG2 4.24Å; F106-V133 HydrophobicContact CB-CG2 4.25Å; F106-V133 HydrophobicContact CD1-CG1 4.28Å; F106-V133 WeakPolarHBondContact O-CA 3.43Å; F106-V133 WeakPolarHBondContact O-CG1 3.5Å; R114-V133 HydrophobicContact CB-CB 4.36Å; R114-V133 HydrophobicContact CB-CG1 4.17Å; R114-V133 WeakPolarHBondContact CB-O 3.19Å; R114-V133 WeakPolarHBondContact O-CG1 3.44Å; C121-V133 VanDerWaalsContact SG-CG2 3.6Å; V131-V133 HydrophobicContact CG1-CG2 4.34Å
134P98.8Very high98.5Very high3 Ų310.4 Ų10.42%0.0194%0.044CC..EExtended strand (participates in β ladder)trans-62.5139.8175.3-20.733.5000111.7F33 I105 F106 H108 A132 V195F33-P134 CarbonylContact O-C 3.58Å; I105-P134 HydrophobicContact CG2-CG 3.9Å; F106-P134 WeakPolarHBondContact O-CD 3.49Å; H108-P134 PolarHBondContact CD2-O 3.07Å; H108-P134 VanDerWaalsContact CD2-O 3.22Å; A132-P134 WeakPolarHBondContact O-CD 3.24Å; P134-V195 HydrophobicContact CB-CG2 4.07Å; P134-V195 HydrophobicContact CG-CB 4.24Å; P134-V195 HydrophobicContact CG-CG2 3.79Å
135E98.8Very high98.4Very high4 Ų411 Ų112%0.0195%0.046CC..  trans-94113.6163.9-163.3159.5109.500109.2F33 Y58 F113 R114 T144F33-E135 HydrophobicContact CB-CB 4.42Å; F33-E135 HydrophobicContact CD1-CB 4.05Å; F33-E135 HydrophobicContact CD1-CG 4.49Å; F33-E135 HydrophobicContact CG-CB 4.34Å; F33-E135 PolarHBondContact O-N 3.08Å; Y58-E135 WeakPolarHBondContact CE1-OE1 3.07Å; Y58-E135 PolarHBondContact OH-OE1 2.9Å; Y58-E135 PolarHBondContact OH-OE2 2.92Å; F113-E135 HydrophobicContact CB-CG 4.16Å; F113-E135 WeakPolarHBondContact CB-OE2 3.36Å; R114-E135 HydrophobicContact CB-CB 4.05Å; R114-E135 HydrophobicContact CG-CB 4.44Å; R114-E135 VanDerWaalsContact CG-OE2 3.25Å; R114-E135 WeakPolarHBondContact CG-OE2 3.37Å; R114-E135 IonicContact CZ-OE2 3.75Å; R114-E135 PolarHBondContact N-OE2 3.24Å; R114-E135 VanDerWaalsContact NH1-CD 3.31Å; R114-E135 IonicContact NH1-OE1 2.92Å; R114-E135 PolarHBondContact NH1-OE1 3Å; R114-E135 IonicContact NH1-OE2 3.91Å; R114-E135 PolarHBondContact NH1-OE2 3.48Å; E135-T144 WeakPolarHBondContact CG-OG1 3.5Å; E135-T144 WeakPolarHBondContact OE1-CA 3.49Å; E135-T144 WeakPolarHBondContact OE1-CB 3.32Å; E135-T144 PolarHBondContact OE1-OG1 3.45Å
136H98.7Very high98.3Very high0 Ų011.9 Ų11.90%05%0.05CC..  trans-77.6133.2-171.6-65.4-64.7000111.9S107 H108 D138 R188 E191S107-H136 PolarHBondContact OG-NE2 2.91Å; H108-H136 AromaticContact CD2-CD2 3.53Å; H108-H136 AromaticContact CE1-CD2 3.8Å; H108-H136 AromaticContact NE2-CD2 3.37Å; H108-H136 PolarHBondContact NE2-CD2 2.98Å; H108-H136 AromaticContact NE2-CG 3.76Å; H108-H136 PolarHBondContact NE2-N 3.44Å; H136-D138 VanDerWaalsContact C-N 3.34Å; H136-D138 WeakPolarHBondContact CB-OD1 3.43Å; H136-R188 HydrophobicContact CB-CG 4.11Å; H136-R188 VanDerWaalsContact CD2-CZ 3.42Å; H136-R188 PolarHBondContact CD2-NH2 3.24Å; H136-E191 VanDerWaalsContact CA-OE2 3.25Å; H136-E191 WeakPolarHBondContact CA-OE2 3.4Å; H136-E191 VanDerWaalsContact CB-OE2 3.28Å; H136-E191 WeakPolarHBondContact CB-OE2 3.45Å; H136-E191 IonicContact CE1-OE2 3.85Å; H136-E191 IonicContact CG-OE2 2.72Å; H136-E191 IonicContact ND1-OE2 3.12Å; H136-E191 PolarHBondContact ND1-OE2 3.08Å
137R98.3Very high98Very high7 Ų712.2 Ų12.23%0.0265%0.052CC..THydrogen-bonded Turntrans-99.714.9-178.8-65.2169.7174.2-167.5-3.9112.2N28 L29 G31 R139 T144 Y145 F146 I166 Q187 E191N28-R137 PolarHBondContact O-NH1 2.8Å; L29-R137 HydrophobicContact CD1-CB 4.34Å; L29-R137 VanDerWaalsContact O-CD 3.23Å; L29-R137 WeakPolarHBondContact O-CD 3.23Å; L29-R137 PolarHBondContact O-NH1 3.39Å; G31-R137 PolarHBondContact O-NH1 2.98Å; R137-R139 PolarHBondContact O-N 2.94Å; R137-T144 HydrophobicContact CG-CG2 4.08Å; R137-Y145 PolarHBondContact NH2-O 3.23Å; R137-F146 VanDerWaalsContact NH2-CB 3.33Å; R137-I166 HydrophobicContact CB-CD1 4.47Å; R137-Q187 PolarHBondContact O-NE2 3.02Å; R137-E191 PolarHBondContact N-OE1 2.88Å; R137-E191 PolarHBondContact N-OE2 3.03Å
138D98.1Very high97.6Very high6 Ų613.1 Ų13.13%0.0326%0.058CC..THydrogen-bonded Turntrans-767.5176.772.4-26.3000113.1H136 S140 Q184 Q187 R188H136-D138 VanDerWaalsContact C-N 3.34Å; H136-D138 WeakPolarHBondContact CB-OD1 3.43Å; D138-S140 VanDerWaalsContact CG-CB 3.48Å; D138-S140 PolarHBondContact O-N 2.83Å; D138-S140 WeakPolarHBondContact OD1-CA 3.2Å; D138-S140 WeakPolarHBondContact OD1-CB 3.37Å; D138-S140 PolarHBondContact OD1-N 3.3Å; D138-S140 PolarHBondContact OD1-OG 3.23Å; D138-S140 WeakPolarHBondContact OD2-CB 3.23Å; D138-S140 PolarHBondContact OD2-OG 3.04Å; D138-Q184 HydrophobicContact CB-CB 4.25Å; D138-Q184 HydrophobicContact CB-CG 4.08Å; D138-Q184 WeakPolarHBondContact O-CG 3.28Å; D138-Q184 PolarHBondContact O-NE2 2.85Å; D138-Q184 WeakPolarHBondContact OD2-CB 3.36Å; D138-Q187 HydrophobicContact CB-CB 4.17Å; D138-Q187 HydrophobicContact CB-CG 4.02Å; D138-Q187 VanDerWaalsContact N-NE2 3.19Å; D138-R188 HydrophobicContact CB-CG 4.35Å; D138-R188 WeakPolarHBondContact OD2-CD 3.4Å; D138-R188 WeakPolarHBondContact OD2-CG 3.29Å; D138-R188 IonicContact OD2-NE 2.94Å; D138-R188 PolarHBondContact OD2-NE 2.9Å; D138-R188 VanDerWaalsContact OD2-NE 3.12Å
139R98.2Very high96.8Very high135 Ų13519.7 Ų19.751%0.5099%0.087SC..THydrogen-bonded Turntrans60.920.9-171-48.1-170.6173.3-173-3.4113.5R137 I166 F168 R169R137-R139 PolarHBondContact O-N 2.94Å; R139-I166 HydrophobicContact CG-CG2 3.75Å; R139-F168 WeakPolarHBondContact O-CD2 3.26Å; R139-R169 HydrophobicContact CB-CB 3.56Å; R139-R169 HydrophobicContact CG-CB 4.41Å; R139-R169 PolarHBondContact O-N 2.69Å
140S98.4Very high95.6Very high0 Ų020.7 Ų20.70%010%0.095CC..THydrogen-bonded Turntrans-83.5-25.7168.473.50000112.2G111 D138 R188G111-S140 WeakPolarHBondContact CA-O 3.11Å; G111-S140 PolarHBondContact N-O 3.22Å; D138-S140 VanDerWaalsContact CG-CB 3.48Å; D138-S140 PolarHBondContact O-N 2.83Å; D138-S140 WeakPolarHBondContact OD1-CA 3.2Å; D138-S140 WeakPolarHBondContact OD1-CB 3.37Å; D138-S140 PolarHBondContact OD1-N 3.3Å; D138-S140 PolarHBondContact OD1-OG 3.23Å; D138-S140 WeakPolarHBondContact OD2-CB 3.23Å; D138-S140 PolarHBondContact OD2-OG 3.04Å; S140-R188 PolarHBondContact OG-NE 3.28Å; S140-R188 VanDerWaalsContact OG-NE 3.14Å; S140-R188 PolarHBondContact OG-NH2 2.73Å; S140-R188 VanDerWaalsContact OG-NH2 3.11Å
141A98.6Very high94.1Very high1 Ų124.1 Ų24.11%0.00812%0.118CC..SBendtrans-64.9149.6174.500000111.3A112 T143 F168A112-A141 WeakPolarHBondContact O-CA 3.45Å; A112-A141 WeakPolarHBondContact O-CB 3.22Å; A141-T143 PolarHBondContact O-N 2.97Å; A141-F168 VanDerWaalsContact O-CA 3.29Å; A141-F168 WeakPolarHBondContact O-CA 3.47Å; A141-F168 VanDerWaalsContact O-CB 3.32Å; A141-F168 WeakPolarHBondContact O-CB 3.14Å
142A97.9Very high92.3Very high2 Ų232.2 Ų32.22%0.01716%0.155CC..SBendtrans-54.8-40.6173.400000111.3L62 G111 A112 F113 F168L62-A142 HydrophobicContact CD2-CB 4.17Å; L62-A142 HydrophobicContact CG-CB 4.44Å; G111-A142 WeakPolarHBondContact O-CB 3.36Å; A112-A142 PolarHBondContact O-N 2.91Å; F113-A142 HydrophobicContact CD1-CB 4.09Å; F113-A142 HydrophobicContact CE1-CB 4.11Å; A142-F168 WeakPolarHBondContact O-CB 3.31Å; A142-F168 PolarHBondContact O-N 2.96Å; A142-F168 VanDerWaalsContact O-N 3.17Å
143T98.1Very high90.5Very high11 Ų1141.3 Ų41.37%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-160.9159.3163.6-169.20000107.5E57 Y58 A141 W165 I166E57-T143 WeakPolarHBondContact O-CG2 3.37Å; Y58-T143 HydrophobicContact CD1-CG2 3.53Å; Y58-T143 HydrophobicContact CE1-CG2 4.02Å; Y58-T143 VanDerWaalsContact CE1-O 3.3Å; Y58-T143 WeakPolarHBondContact CE1-O 3.28Å; Y58-T143 HydrophobicContact CG-CG2 4.18Å; A141-T143 PolarHBondContact O-N 2.97Å; T143-W165 HydrophobicContact CG2-CE3 3.99Å; T143-W165 HydrophobicContact CG2-CZ3 3.84Å; T143-I166 CarbonylContact C-O 3.33Å; T143-I166 WeakPolarHBondContact CA-O 3.38Å; T143-I166 PolarHBondContact OG1-O 3.29Å
144T98.5Very high88.4Confident1 Ų147 Ų471%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-149.4178.5169.1-173.30000108.7E135 R137 W165 I166E135-T144 WeakPolarHBondContact CG-OG1 3.5Å; E135-T144 WeakPolarHBondContact OE1-CA 3.49Å; E135-T144 WeakPolarHBondContact OE1-CB 3.32Å; E135-T144 PolarHBondContact OE1-OG1 3.45Å; R137-T144 HydrophobicContact CG-CG2 4.08Å; T144-W165 CarbonylContact O-C 3.6Å; T144-W165 WeakPolarHBondContact O-CA 3.49Å; T144-I166 HydrophobicContact CG2-CB 3.9Å; T144-I166 HydrophobicContact CG2-CD1 4.18Å; T144-I166 HydrophobicContact CG2-CG1 4.47Å; T144-I166 PolarHBondContact N-O 3.18Å; T144-I166 PolarHBondContact O-N 3.2Å
145Y97.7Very high86.2Confident12 Ų1253.1 Ų53.15%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-146.8164.3174.569.8-79.9000111.9M24 F33 R137 E163 E164 W165M24-Y145 HydrophobicContact CE-CD2 3.96Å; M24-Y145 HydrophobicContact CE-CE2 3.63Å; F33-Y145 AromaticContact CE1-CD1 3.84Å; F33-Y145 HydrophobicContact CE1-CD1 3.84Å; F33-Y145 AromaticContact CE1-CE1 3.4Å; F33-Y145 HydrophobicContact CE1-CE1 3.4Å; F33-Y145 VanDerWaalsContact CE1-CE1 3.4Å; F33-Y145 AromaticContact CE1-CZ 3.8Å; F33-Y145 HydrophobicContact CZ-CD1 4.46Å; F33-Y145 AromaticContact CZ-CE1 3.59Å; F33-Y145 HydrophobicContact CZ-CE1 3.59Å; F33-Y145 AromaticContact CZ-CZ 3.63Å; F33-Y145 WeakPolarHBondContact CZ-OH 3.47Å; R137-Y145 PolarHBondContact NH2-O 3.23Å; Y145-E163 HydrophobicContact CD2-CB 4.09Å; Y145-E163 HydrophobicContact CD2-CG 3.87Å; Y145-E163 HydrophobicContact CE2-CG 3.99Å; Y145-E164 WeakPolarHBondContact CA-O 3.41Å; Y145-E164 WeakPolarHBondContact CB-O 3.44Å; Y145-W165 HydrophobicContact CD1-CD2 4.48Å; Y145-W165 HydrophobicContact CD1-CE3 4.17Å; Y145-W165 AromaticContact CD1-CH2 3.55Å; Y145-W165 HydrophobicContact CD1-CH2 3.55Å; Y145-W165 AromaticContact CD1-CZ2 3.89Å; Y145-W165 HydrophobicContact CD1-CZ2 3.89Å; Y145-W165 AromaticContact CD1-CZ3 3.71Å; Y145-W165 HydrophobicContact CD1-CZ3 3.71Å; Y145-W165 HydrophobicContact CE1-CH2 4.01Å; Y145-W165 HydrophobicContact CE1-CZ2 4.37Å; Y145-W165 HydrophobicContact CG-CD2 4.42Å; Y145-W165 HydrophobicContact CG-CE3 4.45Å; Y145-W165 HydrophobicContact CG-CH2 4.31Å; Y145-W165 HydrophobicContact CG-CZ2 4.26Å; Y145-W165 HydrophobicContact CG-CZ3 4.41Å
146F95.9Very high84Confident18 Ų1857.2 Ų57.28%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-134.7158166.570.5-78.4000109.4L29 R137 K148 E164 I166L29-F146 HydrophobicContact CD1-CD1 4.26Å; L29-F146 HydrophobicContact CD1-CE1 4.27Å; R137-F146 VanDerWaalsContact NH2-CB 3.33Å; F146-K148 HydrophobicContact CE2-CB 4.06Å; F146-E164 HydrophobicContact CD1-CB 4.17Å; F146-E164 HydrophobicContact CE1-CB 3.66Å; F146-E164 HydrophobicContact CE1-CG 3.85Å; F146-E164 HydrophobicContact CE2-CB 4.49Å; F146-E164 HydrophobicContact CZ-CB 3.84Å; F146-E164 HydrophobicContact CZ-CG 4.12Å; F146-E164 PolarHBondContact N-O 2.86Å; F146-E164 VanDerWaalsContact N-O 3.12Å; F146-E164 PolarHBondContact O-N 3.08Å; F146-I166 HydrophobicContact CD1-CD1 3.79Å; F146-I166 HydrophobicContact CD1-CG1 4.19Å; F146-I166 HydrophobicContact CE1-CD1 4.12Å; F146-I166 HydrophobicContact CE1-CG1 4.29Å
147C92.6Very high81.8Confident7 Ų764.1 Ų64.15%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-97.1136.6174.7-62.80000109.8M24 Q27 L161 E162 I211M24-C147 HydrophobicContact SD-CB 4.21Å; Q27-C147 CarbonylContact C-O 3.58Å; Q27-C147 WeakPolarHBondContact CA-O 3.36Å; C147-L161 HydrophobicContact CB-CB 4.09Å; C147-L161 HydrophobicContact CB-CD1 4.13Å; C147-E162 CarbonylContact C-O 3.55Å; C147-E162 WeakPolarHBondContact CA-O 3.21Å; C147-I211 HydrophobicContact CB-CD1 3.71Å
148K88.3Confident79.6Confident63 Ų6370.6 Ų70.627%0.27436%0.361SS..EExtended strand (participates in β ladder)trans-124.9162.1171.765.1-177.6-179.4-172.60110.1F146 L161 E162 E164F146-K148 HydrophobicContact CE2-CB 4.06Å; K148-L161 CarbonylContact O-C 3.59Å; K148-L161 WeakPolarHBondContact O-CA 3.42Å; K148-E162 WeakPolarHBondContact CE-OE2 3.38Å; K148-E162 HydrophobicContact CG-CB 4.26Å; K148-E162 PolarHBondContact N-O 3.04Å; K148-E162 IonicContact NZ-OE2 3.89Å; K148-E162 PolarHBondContact O-N 3.37Å; K148-E164 WeakPolarHBondContact CE-OE2 3.28Å; K148-E164 IonicContact NZ-OE2 3.14Å; K148-E164 PolarHBondContact NZ-OE2 3.48Å
149Q82.5Confident77.6Confident143 Ų14379.6 Ų79.667%0.66840%0.403SS*.EExtended strand (participates in β ladder)trans-66.1135.7172.8-67.2-177.5200110.2Q27Q27-Q149 VanDerWaalsContact OE1-NE2 3.09Å
150A72Confident76.2Confident22 Ų2275.7 Ų75.718%0.18240%0.396CS..PPolyproline II helixtrans-62.8141.9172.900000110.7S160A150-S160 WeakPolarHBondContact CB-O 3.44Å; A150-S160 PolarHBondContact N-O 2.92Å
151P67.3Low75.5Confident72 Ų7278.6 Ų78.647%0.46841%0.411SS..PPolyproline II helixtrans-55.7143.4173.1-22.532000112E153 N154P151-E153 PolarHBondContact O-N 2.75Å; P151-N154 PolarHBondContact O-N 3.33Å
152E61.8Low75.1Confident170 Ų17082.7 Ų82.779%0.79443%0.431SS*.G310 helixtrans-53.8-28.7-174.7-67.5-176167.700114.3N154E152-N154 PolarHBondContact O-N 2.93Å
153E60.9Low74.9Confident191 Ų19185.8 Ų85.889%0.89345%0.445SS*.G310 helixtrans-68-15.5179.8-67.8-179.9170.500114.1P151P151-E153 PolarHBondContact O-N 2.75Å
154N55.3Low74.7Confident120 Ų12089 Ų8964%0.64246%0.459SS*.G310 helixtrans-119.334.3-176.4-77.3-30.3000113P151 E152 P156P151-N154 PolarHBondContact O-N 3.33Å; E152-N154 PolarHBondContact O-N 2.93Å; N154-P156 WeakPolarHBondContact O-CD 3.49Å
155Q53.4Low74.7Confident130 Ų13092 Ų9261%0.60747%0.47SS*.  trans-90.296.9179.2-70.6-175.99.500113.5T157Q155-T157 PolarHBondContact O-N 3.22Å
156P52.6Low74.7Confident91 Ų9192 Ų9259%0.59147%0.471SS*.  trans-81.991160.732-32.3000109.6N154 N158N154-P156 WeakPolarHBondContact O-CD 3.49Å; P156-N158 PolarHBondContact O-N 3.13Å
157T51.5Low74.7Confident144 Ų14494 Ų9488%0.88349%0.486SS*.SBendtrans34.522.3162.755.50000120.4Q155Q155-T157 PolarHBondContact O-N 3.22Å
158N51.5Low75Confident143 Ų14394.8 Ų94.877%0.76549%0.488SS*.SBendtrans-159.7140.6169.9-97.5-19.1000107.7P156 S160P156-N158 PolarHBondContact O-N 3.13Å; N158-S160 VanDerWaalsContact C-N 3.29Å; N158-S160 PolarHBondContact O-N 2.9Å
159E57Low75.3Confident195 Ų19595.7 Ų95.791%0.91149%0.49SS*.  trans-54.678.7-179.5-60.7172.917000112.5L161E159-L161 PolarHBondContact O-N 3.04Å
160S69.1Low75.9Confident53 Ų5393.6 Ų93.637%0.37148%0.476SS..  trans-77.7115.9178.454.20000109.7A150 N158A150-S160 WeakPolarHBondContact CB-O 3.44Å; A150-S160 PolarHBondContact N-O 2.92Å; N158-S160 VanDerWaalsContact C-N 3.29Å; N158-S160 PolarHBondContact O-N 2.9Å
161L83.4Confident76.9Confident61 Ų6194.5 Ų94.532%0.31948%0.479SS..EExtended strand (participates in β ladder)trans-78.1132.5168.3-69.3175.4000109.4Q27 C147 K148 E159 I211Q27-L161 HydrophobicContact CG-CD2 4.13Å; C147-L161 HydrophobicContact CB-CB 4.09Å; C147-L161 HydrophobicContact CB-CD1 4.13Å; K148-L161 CarbonylContact O-C 3.59Å; K148-L161 WeakPolarHBondContact O-CA 3.42Å; E159-L161 PolarHBondContact O-N 3.04Å; L161-I211 HydrophobicContact CD1-CB 4.05Å; L161-I211 HydrophobicContact CD1-CD1 4.35Å; L161-I211 HydrophobicContact CD1-CG1 4.48Å
162E89.3Confident78.2Confident88 Ų8897.6 Ų97.641%0.41149%0.487SS..EExtended strand (participates in β ladder)trans-95.2130.8173.3-171.4-173.5179.400109.7C147 K148C147-E162 CarbonylContact C-O 3.55Å; C147-E162 WeakPolarHBondContact CA-O 3.21Å; K148-E162 WeakPolarHBondContact CE-OE2 3.38Å; K148-E162 HydrophobicContact CG-CB 4.26Å; K148-E162 PolarHBondContact N-O 3.04Å; K148-E162 IonicContact NZ-OE2 3.89Å; K148-E162 PolarHBondContact O-N 3.37Å
163E93.4Very high79.6Confident67 Ų6799.2 Ų99.231%0.31350%0.495SS..EExtended strand (participates in β ladder)trans-82.6125.3173.3-65.8-180166.400110.6R55 Y145R55-E163 IonicContact CZ-OE1 2.71Å; R55-E163 IonicContact CZ-OE2 2.87Å; R55-E163 IonicContact NH1-OE1 2.83Å; R55-E163 PolarHBondContact NH1-OE1 2.87Å; R55-E163 IonicContact NH1-OE2 2.76Å; R55-E163 PolarHBondContact NH1-OE2 2.82Å; R55-E163 VanDerWaalsContact NH1-OE2 3.15Å; R55-E163 IonicContact NH2-OE1 3.36Å; R55-E163 IonicContact NH2-OE2 3.17Å; R55-E163 PolarHBondContact NH2-OE2 3.42Å; Y145-E163 HydrophobicContact CD2-CB 4.09Å; Y145-E163 HydrophobicContact CD2-CG 3.87Å; Y145-E163 HydrophobicContact CE2-CG 3.99Å
164E95.2Very high81.1Confident79 Ų7994 Ų9437%0.36949%0.493SS..EExtended strand (participates in β ladder)trans-110116171.7-173.3175.4130.800110.3Y145 F146 K148Y145-E164 WeakPolarHBondContact CA-O 3.41Å; Y145-E164 WeakPolarHBondContact CB-O 3.44Å; F146-E164 HydrophobicContact CD1-CB 4.17Å; F146-E164 HydrophobicContact CE1-CB 3.66Å; F146-E164 HydrophobicContact CE1-CG 3.85Å; F146-E164 HydrophobicContact CE2-CB 4.49Å; F146-E164 HydrophobicContact CZ-CB 3.84Å; F146-E164 HydrophobicContact CZ-CG 4.12Å; F146-E164 PolarHBondContact N-O 2.86Å; F146-E164 VanDerWaalsContact N-O 3.12Å; F146-E164 PolarHBondContact O-N 3.08Å; K148-E164 WeakPolarHBondContact CE-OE2 3.28Å; K148-E164 IonicContact NZ-OE2 3.14Å; K148-E164 PolarHBondContact NZ-OE2 3.48Å
165W97Very high83Confident63 Ų6391.1 Ų91.124%0.23948%0.476CS..EExtended strand (participates in β ladder)trans-84.8133.4-178.8-71.285.2000112.1R55 E57 Y58 T143 T144 Y145R55-W165 HydrophobicContact CB-CH2 3.92Å; R55-W165 HydrophobicContact CB-CZ2 4.34Å; R55-W165 HydrophobicContact CG-CH2 4.27Å; E57-W165 HydrophobicContact CB-CD2 3.8Å; E57-W165 HydrophobicContact CB-CE3 3.67Å; E57-W165 HydrophobicContact CB-CH2 3.47Å; E57-W165 VanDerWaalsContact CB-CH2 3.47Å; E57-W165 HydrophobicContact CB-CZ2 3.59Å; E57-W165 HydrophobicContact CB-CZ3 3.51Å; E57-W165 HydrophobicContact CG-CD2 3.9Å; E57-W165 HydrophobicContact CG-CE3 4.31Å; E57-W165 HydrophobicContact CG-CH2 4.04Å; E57-W165 HydrophobicContact CG-CZ2 3.59Å; E57-W165 HydrophobicContact CG-CZ3 4.37Å; Y58-W165 HydrophobicContact CD2-CH2 4.33Å; Y58-W165 HydrophobicContact CD2-CZ3 4.48Å; Y58-W165 HydrophobicContact CE1-CZ3 4.19Å; Y58-W165 AromaticContact CE2-CH2 3.93Å; Y58-W165 HydrophobicContact CE2-CH2 3.93Å; Y58-W165 HydrophobicContact CE2-CZ3 4.13Å; Y58-W165 AromaticContact CZ-CZ3 3.95Å; T143-W165 HydrophobicContact CG2-CE3 3.99Å; T143-W165 HydrophobicContact CG2-CZ3 3.84Å; T144-W165 CarbonylContact O-C 3.6Å; T144-W165 WeakPolarHBondContact O-CA 3.49Å; Y145-W165 HydrophobicContact CD1-CD2 4.48Å; Y145-W165 HydrophobicContact CD1-CE3 4.17Å; Y145-W165 AromaticContact CD1-CH2 3.55Å; Y145-W165 HydrophobicContact CD1-CH2 3.55Å; Y145-W165 AromaticContact CD1-CZ2 3.89Å; Y145-W165 HydrophobicContact CD1-CZ2 3.89Å; Y145-W165 AromaticContact CD1-CZ3 3.71Å; Y145-W165 HydrophobicContact CD1-CZ3 3.71Å; Y145-W165 HydrophobicContact CE1-CH2 4.01Å; Y145-W165 HydrophobicContact CE1-CZ2 4.37Å; Y145-W165 HydrophobicContact CG-CD2 4.42Å; Y145-W165 HydrophobicContact CG-CE3 4.45Å; Y145-W165 HydrophobicContact CG-CH2 4.31Å; Y145-W165 HydrophobicContact CG-CZ2 4.26Å; Y145-W165 HydrophobicContact CG-CZ3 4.41Å
166I97.7Very high84.9Confident11 Ų1192.1 Ų92.16%0.05648%0.478CS..EExtended strand (participates in β ladder)trans-111.5108.8-179.5-52.3173.1000108.2L29 R137 R139 T143 T144 F146L29-I166 HydrophobicContact CD1-CD1 3.28Å; R137-I166 HydrophobicContact CB-CD1 4.47Å; R139-I166 HydrophobicContact CG-CG2 3.75Å; T143-I166 CarbonylContact C-O 3.33Å; T143-I166 WeakPolarHBondContact CA-O 3.38Å; T143-I166 PolarHBondContact OG1-O 3.29Å; T144-I166 HydrophobicContact CG2-CB 3.9Å; T144-I166 HydrophobicContact CG2-CD1 4.18Å; T144-I166 HydrophobicContact CG2-CG1 4.47Å; T144-I166 PolarHBondContact N-O 3.18Å; T144-I166 PolarHBondContact O-N 3.2Å; F146-I166 HydrophobicContact CD1-CD1 3.79Å; F146-I166 HydrophobicContact CD1-CG1 4.19Å; F146-I166 HydrophobicContact CE1-CD1 4.12Å; F146-I166 HydrophobicContact CE1-CG1 4.29Å
167P97.4Very high86.9Confident61 Ų6191.3 Ų91.340%0.39647%0.466SS..EExtended strand (participates in β ladder)trans-77.1162.6179.532.3-35.5000112.2R169P167-R169 PolarHBondContact O-N 2.76Å
168F97.6Very high89Confident24 Ų2487.2 Ų87.211%0.10544%0.436CS..  trans-53.7133.8168.4176.2-112.5000112.4Y65 L110 R139 A141 A142 R170Y65-F168 AromaticContact CD2-CD1 3.92Å; Y65-F168 HydrophobicContact CD2-CD1 3.92Å; Y65-F168 HydrophobicContact CD2-CD2 4.23Å; Y65-F168 AromaticContact CD2-CE1 3.77Å; Y65-F168 HydrophobicContact CD2-CE1 3.77Å; Y65-F168 HydrophobicContact CD2-CE2 4.11Å; Y65-F168 HydrophobicContact CD2-CG 4.14Å; Y65-F168 AromaticContact CD2-CZ 3.88Å; Y65-F168 HydrophobicContact CD2-CZ 3.88Å; Y65-F168 HydrophobicContact CE2-CE1 4.23Å; Y65-F168 HydrophobicContact CE2-CE2 4.19Å; Y65-F168 AromaticContact CE2-CZ 3.93Å; Y65-F168 HydrophobicContact CE2-CZ 3.93Å; L110-F168 HydrophobicContact CD1-CE2 3.64Å; L110-F168 HydrophobicContact CD1-CZ 4.36Å; L110-F168 HydrophobicContact CG-CE2 3.99Å; L110-F168 HydrophobicContact CG-CZ 4.44Å; R139-F168 WeakPolarHBondContact O-CD2 3.26Å; A141-F168 VanDerWaalsContact O-CA 3.29Å; A141-F168 WeakPolarHBondContact O-CA 3.47Å; A141-F168 VanDerWaalsContact O-CB 3.32Å; A141-F168 WeakPolarHBondContact O-CB 3.14Å; A142-F168 WeakPolarHBondContact O-CB 3.31Å; A142-F168 PolarHBondContact O-N 2.96Å; A142-F168 VanDerWaalsContact O-N 3.17Å; F168-R170 HydrophobicContact CD1-CG 3.87Å; F168-R170 HydrophobicContact CE1-CB 4.42Å; F168-R170 HydrophobicContact CE1-CG 3.62Å
169R95.4Very high91Very high82 Ų8286.1 Ų86.131%0.30943%0.426SS..  trans-91.6114.1171.3-177.5-179.7-180-141.6-6.9110.6R139 P167 E175R139-R169 HydrophobicContact CB-CB 3.56Å; R139-R169 HydrophobicContact CG-CB 4.41Å; R139-R169 PolarHBondContact O-N 2.69Å; P167-R169 PolarHBondContact O-N 2.76Å; R169-E175 IonicContact CZ-OE1 3.59Å; R169-E175 IonicContact CZ-OE2 3.89Å; R169-E175 IonicContact NH1-OE1 3.82Å; R169-E175 VanDerWaalsContact NH2-CD 3.28Å; R169-E175 IonicContact NH2-OE1 2.66Å; R169-E175 PolarHBondContact NH2-OE1 2.8Å; R169-E175 IonicContact NH2-OE2 3.16Å; R169-E175 PolarHBondContact NH2-OE2 2.96Å; R169-E175 VanDerWaalsContact NH2-OE2 3.16Å
170R94.3Very high92.9Very high98 Ų9877 Ų7737%0.3738%0.383SS..PPolyproline II helixtrans-72.4145.3165.9-71.5178.3176.9-75.6-11.7110.1E64 Y65 Q67 F168E64-R170 PolarHBondContact O-NH2 3.43Å; Y65-R170 PolarHBondContact O-NH2 2.59Å; Q67-R170 VanDerWaalsContact CG-NH2 3.27Å; F168-R170 HydrophobicContact CD1-CG 3.87Å; F168-R170 HydrophobicContact CE1-CB 4.42Å; F168-R170 HydrophobicContact CE1-CG 3.62Å
171V94.7Very high94.2Very high42 Ų4274.8 Ų74.826%0.25537%0.367SS..PPolyproline II helixtrans-73.8126.6168179.30000106.6E175 E177 V180V171-E175 HydrophobicContact CG1-CB 3.87Å; V171-E175 HydrophobicContact CG1-CG 4.18Å; V171-E177 HydrophobicContact CG1-CB 4.29Å; V171-E177 HydrophobicContact CG2-CB 4.35Å; V171-E177 HydrophobicContact CG2-CG 4.03Å; V171-V180 HydrophobicContact CG2-CB 4.3Å; V171-V180 HydrophobicContact CG2-CG1 4.33Å; V171-V180 HydrophobicContact CG2-CG2 4.27Å
172E93.1Very high94.8Very high136 Ų13672.9 Ų72.964%0.63636%0.357SS*.PPolyproline II helixtrans-76.4158.5-177.4-67.5176.8-171.200111.4G174 E175E172-G174 PolarHBondContact O-N 3.47Å; E172-E175 HydrophobicContact CB-CB 4.32Å; E172-E175 PolarHBondContact N-OE2 3.39Å; E172-E175 VanDerWaalsContact O-CB 3.32Å; E172-E175 WeakPolarHBondContact O-CB 3.34Å; E172-E175 PolarHBondContact O-N 3.06Å
173E91.9Very high95.2Very high204 Ų20472.2 Ų72.295%0.95336%0.36SS*.THydrogen-bonded Turntrans-61.5129.1175.9-171.3175.7179.900110.2E175E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 3.37Å
174G92.5Very high95.4Very high82 Ų8269.4 Ų69.485%0.84535%0.347SS*.THydrogen-bonded Turntrans84.2-11-174.400000115E172E172-G174 PolarHBondContact O-N 3.47Å
175E94.9Very high95.5Very high60 Ų6065.7 Ų65.728%0.2833%0.33SS..  trans-77131.5174.3-172.1174.9-147.800110.9R169 V171 E172 E173 E177 V180R169-E175 IonicContact CZ-OE1 3.59Å; R169-E175 IonicContact CZ-OE2 3.89Å; R169-E175 IonicContact NH1-OE1 3.82Å; R169-E175 VanDerWaalsContact NH2-CD 3.28Å; R169-E175 IonicContact NH2-OE1 2.66Å; R169-E175 PolarHBondContact NH2-OE1 2.8Å; R169-E175 IonicContact NH2-OE2 3.16Å; R169-E175 PolarHBondContact NH2-OE2 2.96Å; R169-E175 VanDerWaalsContact NH2-OE2 3.16Å; V171-E175 HydrophobicContact CG1-CB 3.87Å; V171-E175 HydrophobicContact CG1-CG 4.18Å; E172-E175 HydrophobicContact CB-CB 4.32Å; E172-E175 PolarHBondContact N-OE2 3.39Å; E172-E175 VanDerWaalsContact O-CB 3.32Å; E172-E175 WeakPolarHBondContact O-CB 3.34Å; E172-E175 PolarHBondContact O-N 3.06Å; E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 3.37Å; E175-E177 PolarHBondContact O-N 3.03Å; E175-V180 HydrophobicContact CG-CG2 3.74Å; E175-V180 WeakPolarHBondContact OE1-CG2 3.09Å; E175-V180 VanDerWaalsContact OE2-CG2 3.3Å; E175-V180 WeakPolarHBondContact OE2-CG2 3.2Å
176K94.1Very high95.5Very high150 Ų15065.6 Ų65.665%0.65233%0.332SS*.  trans-74.9108.4175.7-72.7-178.6-179.11800109.4F178 H179K176-F178 PolarHBondContact O-N 2.88Å; K176-H179 VanDerWaalsContact CB-ND1 3.26Å; K176-H179 WeakPolarHBondContact CB-ND1 3.29Å; K176-H179 PolarHBondContact O-N 2.87Å
177E94.8Very high95.6Very high74 Ų7468.2 Ų68.235%0.34634%0.344SS..Hα-helixtrans-48.5-40.4-176.4-179.1164.8-155.100113.4V171 E175 H179 V180 R181 W261 F263V171-E177 HydrophobicContact CG1-CB 4.29Å; V171-E177 HydrophobicContact CG2-CB 4.35Å; V171-E177 HydrophobicContact CG2-CG 4.03Å; E175-E177 PolarHBondContact O-N 3.03Å; E177-H179 VanDerWaalsContact C-N 3.29Å; E177-H179 PolarHBondContact O-N 2.83Å; E177-V180 WeakPolarHBondContact O-CA 3.21Å; E177-V180 WeakPolarHBondContact O-CB 3.12Å; E177-V180 PolarHBondContact O-N 3.15Å; E177-R181 HydrophobicContact CG-CG 3.52Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 2.91Å; E177-R181 IonicContact OE1-CZ 3.55Å; E177-R181 IonicContact OE1-NE 3.41Å; E177-R181 PolarHBondContact OE1-NE 3.39Å; E177-R181 VanDerWaalsContact OE1-NE 3.14Å; E177-R181 IonicContact OE1-NH2 3.71Å; E177-W261 WeakPolarHBondContact OE1-CH2 3.29Å; E177-F263 HydrophobicContact CB-CE1 4.16Å; E177-F263 HydrophobicContact CB-CZ 4.23Å; E177-F263 HydrophobicContact CG-CE1 3.77Å; E177-F263 HydrophobicContact CG-CZ 4.29Å
178F94.3Very high95.6Very high58 Ų5865.3 Ų65.325%0.25433%0.325SS..Hα-helixtrans-55.7-41178.2-174.8-96.5000113.4K176 V180 R181 N182 F263 E266K176-F178 PolarHBondContact O-N 2.88Å; F178-V180 PolarHBondContact O-N 3.2Å; F178-R181 PolarHBondContact O-N 2.97Å; F178-N182 HydrophobicContact CD1-CB 4.38Å; F178-N182 HydrophobicContact CE1-CB 3.93Å; F178-N182 HydrophobicContact CE2-CB 4.13Å; F178-N182 HydrophobicContact CZ-CB 3.77Å; F178-N182 VanDerWaalsContact O-CB 3.26Å; F178-N182 WeakPolarHBondContact O-CB 3.4Å; F178-N182 PolarHBondContact O-N 3.29Å; F178-F263 HydrophobicContact CB-CE1 4.05Å; F178-F263 HydrophobicContact CB-CZ 3.9Å; F178-F263 HydrophobicContact CD2-CE1 4.3Å; F178-F263 HydrophobicContact CD2-CZ 4.47Å; F178-E266 HydrophobicContact CZ-CB 4.46Å; F178-E266 HydrophobicContact CZ-CG 3.88Å
179H94.4Very high95.6Very high121 Ų12164.3 Ų64.356%0.5632%0.321SS*.Hα-helixtrans-70.5-12.7178.8-63.699.6000113.2K176 E177 P183K176-H179 VanDerWaalsContact CB-ND1 3.26Å; K176-H179 WeakPolarHBondContact CB-ND1 3.29Å; K176-H179 PolarHBondContact O-N 2.87Å; E177-H179 VanDerWaalsContact C-N 3.29Å; E177-H179 PolarHBondContact O-N 2.83Å; H179-P183 VanDerWaalsContact O-CD 3.26Å; H179-P183 WeakPolarHBondContact O-CD 3.42Å; H179-P183 WeakPolarHBondContact O-CG 3.45Å
180V96.3Very high95.8Very high2 Ų263.2 Ų63.21%0.01233%0.326CS..Hα-helixtrans-90.6-50.3170-1780000110.3V171 E175 E177 F178 Q184V171-V180 HydrophobicContact CG2-CB 4.3Å; V171-V180 HydrophobicContact CG2-CG1 4.33Å; V171-V180 HydrophobicContact CG2-CG2 4.27Å; E175-V180 HydrophobicContact CG-CG2 3.74Å; E175-V180 WeakPolarHBondContact OE1-CG2 3.09Å; E175-V180 VanDerWaalsContact OE2-CG2 3.3Å; E175-V180 WeakPolarHBondContact OE2-CG2 3.2Å; E177-V180 WeakPolarHBondContact O-CA 3.21Å; E177-V180 WeakPolarHBondContact O-CB 3.12Å; E177-V180 PolarHBondContact O-N 3.15Å; F178-V180 PolarHBondContact O-N 3.2Å; V180-Q184 VanDerWaalsContact O-CG 3.26Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 3.38Å
181R96.8Very high96Very high8 Ų859 Ų593%0.0331%0.31CS..Hα-helixtrans-74.1-32.7-170.1-58-54.6-179.1-155.20.5113.1E177 F178 Q184 V185 F237 W261 F263 P264E177-R181 HydrophobicContact CG-CG 3.52Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 2.91Å; E177-R181 IonicContact OE1-CZ 3.55Å; E177-R181 IonicContact OE1-NE 3.41Å; E177-R181 PolarHBondContact OE1-NE 3.39Å; E177-R181 VanDerWaalsContact OE1-NE 3.14Å; E177-R181 IonicContact OE1-NH2 3.71Å; F178-R181 PolarHBondContact O-N 2.97Å; R181-Q184 WeakPolarHBondContact O-CB 3.42Å; R181-Q184 PolarHBondContact O-N 3.21Å; R181-V185 PolarHBondContact O-N 2.6Å; R181-F237 HydrophobicContact CB-CZ 4.24Å; R181-F237 WeakPolarHBondContact O-CZ 3.02Å; R181-W261 HydrophobicContact CB-CH2 4.41Å; R181-W261 HydrophobicContact CG-CH2 3.61Å; R181-W261 HydrophobicContact CG-CZ2 4.48Å; R181-W261 HydrophobicContact CG-CZ3 4.15Å; R181-F263 HydrophobicContact CG-CE1 4.41Å; R181-P264 HydrophobicContact CB-CB 3.93Å; R181-P264 HydrophobicContact CB-CG 4.04Å
182N96.1Very high96.2Very high21 Ų2157 Ų5711%0.11230%0.298CS..Hα-helixtrans-68.4-50.7179.6175.5-89.3000112.5F178 Q184 V185 H186 P264F178-N182 HydrophobicContact CD1-CB 4.38Å; F178-N182 HydrophobicContact CE1-CB 3.93Å; F178-N182 HydrophobicContact CE2-CB 4.13Å; F178-N182 HydrophobicContact CZ-CB 3.77Å; F178-N182 VanDerWaalsContact O-CB 3.26Å; F178-N182 WeakPolarHBondContact O-CB 3.4Å; F178-N182 PolarHBondContact O-N 3.29Å; N182-Q184 PolarHBondContact O-N 2.76Å; N182-V185 VanDerWaalsContact O-CG1 3.26Å; N182-V185 WeakPolarHBondContact O-CG1 3.43Å; N182-V185 PolarHBondContact O-N 2.86Å; N182-V185 VanDerWaalsContact O-N 3.13Å; N182-H186 PolarHBondContact O-CD2 3.46Å; N182-H186 VanDerWaalsContact O-CD2 3.24Å; N182-H186 PolarHBondContact O-N 3.22Å; N182-P264 PolarHBondContact ND2-O 3.19Å; N182-P264 VanDerWaalsContact ND2-O 3.16Å
183P96.5Very high96.5Very high73 Ų7352.8 Ų52.847%0.47428%0.28SS..Hα-helixtrans-56.9-38.8172-28.236.6000113.1H179 H186 Q187H179-P183 VanDerWaalsContact O-CD 3.26Å; H179-P183 WeakPolarHBondContact O-CD 3.42Å; H179-P183 WeakPolarHBondContact O-CG 3.45Å; P183-H186 PolarHBondContact O-N 2.83Å; P183-Q187 PolarHBondContact O-N 2.94Å
184Q98Very high96.8Very high9 Ų945.9 Ų45.94%0.04225%0.245CC..Hα-helixtrans-57.9-48.3174.3-78.4-178.1-31.800112.2D138 V180 R181 N182 H186 Q187 R188 F237D138-Q184 HydrophobicContact CB-CB 4.25Å; D138-Q184 HydrophobicContact CB-CG 4.08Å; D138-Q184 WeakPolarHBondContact O-CG 3.28Å; D138-Q184 PolarHBondContact O-NE2 2.85Å; D138-Q184 WeakPolarHBondContact OD2-CB 3.36Å; V180-Q184 VanDerWaalsContact O-CG 3.26Å; V180-Q184 WeakPolarHBondContact O-CG 3.39Å; V180-Q184 PolarHBondContact O-N 3.38Å; R181-Q184 WeakPolarHBondContact O-CB 3.42Å; R181-Q184 PolarHBondContact O-N 3.21Å; N182-Q184 PolarHBondContact O-N 2.76Å; Q184-H186 VanDerWaalsContact C-N 3.27Å; Q184-H186 PolarHBondContact O-N 3.44Å; Q184-Q187 PolarHBondContact O-N 3.26Å; Q184-Q187 VanDerWaalsContact O-N 3.15Å; Q184-R188 WeakPolarHBondContact O-CG 3.25Å; Q184-R188 PolarHBondContact O-N 3.38Å; Q184-F237 HydrophobicContact CB-CE1 4.09Å; Q184-F237 HydrophobicContact CB-CZ 3.69Å
185V97.9Very high97.1Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-63.4-34.4179.581.50000112.4R181 N182 R188 V189 F237 A240 L244 P264 L265R181-V185 PolarHBondContact O-N 2.6Å; N182-V185 VanDerWaalsContact O-CG1 3.26Å; N182-V185 WeakPolarHBondContact O-CG1 3.43Å; N182-V185 PolarHBondContact O-N 2.86Å; N182-V185 VanDerWaalsContact O-N 3.13Å; V185-R188 PolarHBondContact O-N 3.28Å; V185-V189 WeakPolarHBondContact O-CG2 3.26Å; V185-V189 PolarHBondContact O-N 3.39Å; V185-V189 VanDerWaalsContact O-N 3.08Å; V185-F237 HydrophobicContact CB-CE2 3.76Å; V185-F237 HydrophobicContact CB-CZ 4.42Å; V185-F237 HydrophobicContact CG2-CD2 4.44Å; V185-F237 HydrophobicContact CG2-CE2 4.02Å; V185-A240 HydrophobicContact CG2-CB 4.19Å; V185-L244 HydrophobicContact CB-CD2 4.49Å; V185-L244 HydrophobicContact CG1-CD2 3.71Å; V185-L244 HydrophobicContact CG2-CD2 4.23Å; V185-P264 HydrophobicContact CB-CB 4.15Å; V185-P264 HydrophobicContact CG1-CB 4.29Å; V185-L265 HydrophobicContact CG1-CD2 4.31Å; V185-L265 HydrophobicContact CG2-CD2 4.36Å
186H97.4Very high97.3Very high62 Ų6239.4 Ų39.429%0.28719%0.193SC..Hα-helixtrans-68.5-40.5175-77.3-123.5000111.9N182 P183 Q184 V189 S190 K248N182-H186 PolarHBondContact O-CD2 3.46Å; N182-H186 VanDerWaalsContact O-CD2 3.24Å; N182-H186 PolarHBondContact O-N 3.22Å; P183-H186 PolarHBondContact O-N 2.83Å; Q184-H186 VanDerWaalsContact C-N 3.27Å; Q184-H186 PolarHBondContact O-N 3.44Å; H186-V189 PolarHBondContact O-N 3.13Å; H186-S190 PolarHBondContact O-N 2.92Å; H186-S190 VanDerWaalsContact O-N 3.13Å; H186-S190 PolarHBondContact O-OG 3.17Å; H186-K248 PolarHBondContact CE1-NZ 3.33Å; H186-K248 VanDerWaalsContact CE1-NZ 3.32Å; H186-K248 PolarHBondContact ND1-NZ 3.36Å
187Q98.3Very high97.5Very high66 Ų6637.9 Ų37.931%0.30819%0.186SC..Hα-helixtrans-61.5-45172.7178.9176.1-17.300111.4R137 D138 P183 Q184 V189 S190 E191R137-Q187 PolarHBondContact O-NE2 3.02Å; D138-Q187 HydrophobicContact CB-CB 4.17Å; D138-Q187 HydrophobicContact CB-CG 4.02Å; D138-Q187 VanDerWaalsContact N-NE2 3.19Å; P183-Q187 PolarHBondContact O-N 2.94Å; Q184-Q187 PolarHBondContact O-N 3.26Å; Q184-Q187 VanDerWaalsContact O-N 3.15Å; Q187-V189 VanDerWaalsContact C-N 3.31Å; Q187-V189 PolarHBondContact O-N 3.15Å; Q187-S190 WeakPolarHBondContact O-CA 3.19Å; Q187-S190 WeakPolarHBondContact O-CB 3.47Å; Q187-S190 PolarHBondContact O-N 3.35Å; Q187-S190 VanDerWaalsContact O-N 3.08Å; Q187-E191 PolarHBondContact NE2-OE1 2.8Å; Q187-E191 WeakPolarHBondContact O-CG 3.41Å; Q187-E191 PolarHBondContact O-N 3.09Å
188R98.8Very high97.6Very high0 Ų034.7 Ų34.70%017%0.172CC..Hα-helixtrans-58.1-41.6178.1-69.7166.5129.8-97.4-9.9112.5S107 H108 H136 D138 S140 Q184 V185 E191 C192 T241S107-R188 PolarHBondContact OG-NH1 2.93Å; H108-R188 PolarHBondContact CE1-NH2 2.79Å; H108-R188 PolarHBondContact ND1-NH2 3.49Å; H108-R188 VanDerWaalsContact O-CZ 3.28Å; H108-R188 PolarHBondContact O-NH1 3.39Å; H108-R188 PolarHBondContact O-NH2 2.82Å; H136-R188 HydrophobicContact CB-CG 4.11Å; H136-R188 VanDerWaalsContact CD2-CZ 3.42Å; H136-R188 PolarHBondContact CD2-NH2 3.24Å; D138-R188 HydrophobicContact CB-CG 4.35Å; D138-R188 WeakPolarHBondContact OD2-CD 3.4Å; D138-R188 WeakPolarHBondContact OD2-CG 3.29Å; D138-R188 IonicContact OD2-NE 2.94Å; D138-R188 PolarHBondContact OD2-NE 2.9Å; D138-R188 VanDerWaalsContact OD2-NE 3.12Å; S140-R188 PolarHBondContact OG-NE 3.28Å; S140-R188 VanDerWaalsContact OG-NE 3.14Å; S140-R188 PolarHBondContact OG-NH2 2.73Å; S140-R188 VanDerWaalsContact OG-NH2 3.11Å; Q184-R188 WeakPolarHBondContact O-CG 3.25Å; Q184-R188 PolarHBondContact O-N 3.38Å; V185-R188 PolarHBondContact O-N 3.28Å; R188-E191 WeakPolarHBondContact O-CB 3.46Å; R188-E191 PolarHBondContact O-N 3.44Å; R188-C192 PolarHBondContact O-N 2.96Å; R188-C192 PolarHBondContact O-SG 3.25Å; R188-C192 VanDerWaalsContact O-SG 3.38Å; R188-T241 HydrophobicContact CB-CG2 3.68Å; R188-T241 WeakPolarHBondContact CB-OG1 3.41Å; R188-T241 WeakPolarHBondContact CD-OG1 3.42Å; R188-T241 PolarHBondContact NH1-OG1 3.16Å
189V98.3Very high97.8Very high2 Ų231.9 Ų31.91%0.01216%0.159CC..Hα-helixtrans-63-47.1174.2171.90000110.7V185 H186 Q187 E191 C192 L193 T241 L244 A245 K248V185-V189 WeakPolarHBondContact O-CG2 3.26Å; V185-V189 PolarHBondContact O-N 3.39Å; V185-V189 VanDerWaalsContact O-N 3.08Å; H186-V189 PolarHBondContact O-N 3.13Å; Q187-V189 VanDerWaalsContact C-N 3.31Å; Q187-V189 PolarHBondContact O-N 3.15Å; V189-E191 PolarHBondContact O-N 3.28Å; V189-C192 WeakPolarHBondContact O-CB 3.2Å; V189-C192 PolarHBondContact O-N 2.77Å; V189-C192 VanDerWaalsContact O-N 3.12Å; V189-L193 HydrophobicContact CG1-CD1 4.18Å; V189-L193 HydrophobicContact CG1-CG 4.31Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 2.92Å; V189-T241 HydrophobicContact CG2-CG2 3.95Å; V189-L244 HydrophobicContact CG2-CB 3.81Å; V189-L244 HydrophobicContact CG2-CD2 3.86Å; V189-L244 HydrophobicContact CG2-CG 3.77Å; V189-A245 HydrophobicContact CG1-CB 4.09Å; V189-A245 HydrophobicContact CG2-CB 4.11Å; V189-K248 HydrophobicContact CG1-CD 4.07Å
190S98.4Very high98Very high59 Ų5929.6 Ų29.641%0.41315%0.149SC..Hα-helixtrans-57.9-37.4176.1-60.30000112.5H186 Q187 L193 R194H186-S190 PolarHBondContact O-N 2.92Å; H186-S190 VanDerWaalsContact O-N 3.13Å; H186-S190 PolarHBondContact O-OG 3.17Å; Q187-S190 WeakPolarHBondContact O-CA 3.19Å; Q187-S190 WeakPolarHBondContact O-CB 3.47Å; Q187-S190 PolarHBondContact O-N 3.35Å; Q187-S190 VanDerWaalsContact O-N 3.08Å; S190-L193 PolarHBondContact O-N 2.98Å; S190-R194 WeakPolarHBondContact O-CG 3.34Å; S190-R194 PolarHBondContact O-N 3.07Å
191E98.8Very high98.1Very high9 Ų931.9 Ų31.94%0.04216%0.16CC..Hα-helixtrans-65.9-44.7174.2-74.2162.9172.100112H136 R137 Q187 R188 V189 L193 R194 V195H136-E191 VanDerWaalsContact CA-OE2 3.25Å; H136-E191 WeakPolarHBondContact CA-OE2 3.4Å; H136-E191 VanDerWaalsContact CB-OE2 3.28Å; H136-E191 WeakPolarHBondContact CB-OE2 3.45Å; H136-E191 IonicContact CE1-OE2 3.85Å; H136-E191 IonicContact CG-OE2 2.72Å; H136-E191 IonicContact ND1-OE2 3.12Å; H136-E191 PolarHBondContact ND1-OE2 3.08Å; R137-E191 PolarHBondContact N-OE1 2.88Å; R137-E191 PolarHBondContact N-OE2 3.03Å; Q187-E191 PolarHBondContact NE2-OE1 2.8Å; Q187-E191 WeakPolarHBondContact O-CG 3.41Å; Q187-E191 PolarHBondContact O-N 3.09Å; R188-E191 WeakPolarHBondContact O-CB 3.46Å; R188-E191 PolarHBondContact O-N 3.44Å; V189-E191 PolarHBondContact O-N 3.28Å; E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 2.87Å; E191-R194 PolarHBondContact O-N 2.94Å; E191-V195 PolarHBondContact O-N 3.37Å
192C98.8Very high98.1Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-57.7-41.6172.8-70.40000112.2I105 R188 V189 V195 L196I105-C192 HydrophobicContact CG2-CB 3.84Å; R188-C192 PolarHBondContact O-N 2.96Å; R188-C192 PolarHBondContact O-SG 3.25Å; R188-C192 VanDerWaalsContact O-SG 3.38Å; V189-C192 WeakPolarHBondContact O-CB 3.2Å; V189-C192 PolarHBondContact O-N 2.77Å; V189-C192 VanDerWaalsContact O-N 3.12Å; C192-V195 PolarHBondContact O-N 2.96Å; C192-L196 PolarHBondContact O-N 3.19Å
193L98.6Very high98Very high48 Ų4831.7 Ų31.725%0.25116%0.16SC..Hα-helixtrans-69.1-34.1178.2-62-178.2000112.7V189 S190 E191 L196 K197 E249 F252V189-L193 HydrophobicContact CG1-CD1 4.18Å; V189-L193 HydrophobicContact CG1-CG 4.31Å; V189-L193 WeakPolarHBondContact O-CG 3.34Å; V189-L193 PolarHBondContact O-N 2.92Å; S190-L193 PolarHBondContact O-N 2.98Å; E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 2.87Å; L193-L196 HydrophobicContact CD2-CD2 4.43Å; L193-L196 PolarHBondContact O-N 2.93Å; L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.69Å; L193-E249 HydrophobicContact CD2-CB 3.45Å; L193-E249 VanDerWaalsContact CD2-CB 3.45Å; L193-E249 HydrophobicContact CD2-CG 3.59Å; L193-F252 HydrophobicContact CD2-CE2 3.7Å; L193-F252 HydrophobicContact CD2-CZ 4.33Å
194R98.5Very high98Very high60 Ų6032 Ų3223%0.22617%0.169CC..Hα-helixtrans-65.4-43.1172.8-73.9-166.1-60.2-8914.2111.9Q30 S190 E191 L196 K197 I198Q30-R194 PolarHBondContact O-NE 3.41Å; Q30-R194 VanDerWaalsContact O-NE 3.08Å; Q30-R194 PolarHBondContact O-NH2 2.97Å; S190-R194 WeakPolarHBondContact O-CG 3.34Å; S190-R194 PolarHBondContact O-N 3.07Å; E191-R194 PolarHBondContact O-N 2.94Å; R194-L196 VanDerWaalsContact C-N 3.35Å; R194-K197 PolarHBondContact O-N 3.39Å; R194-I198 WeakPolarHBondContact O-CG1 3.5Å; R194-I198 PolarHBondContact O-N 3.37Å
195V98.8Very high97.9Very high2 Ų232.7 Ų32.71%0.01218%0.178CC..Hα-helixtrans-62.6-43.1174.5177.70000111.3F34 I105 A132 P134 E191 C192 K197 I198 L199F34-V195 HydrophobicContact CB-CG1 4.43Å; F34-V195 HydrophobicContact CB-CG2 4.21Å; F34-V195 HydrophobicContact CD1-CB 4.46Å; F34-V195 HydrophobicContact CD1-CG1 4.03Å; F34-V195 HydrophobicContact CD1-CG2 3.71Å; F34-V195 HydrophobicContact CD2-CG1 3.99Å; F34-V195 HydrophobicContact CE1-CG1 4.21Å; F34-V195 HydrophobicContact CE1-CG2 4.29Å; F34-V195 HydrophobicContact CE2-CG1 4.16Å; F34-V195 HydrophobicContact CG-CG1 3.91Å; F34-V195 HydrophobicContact CG-CG2 4.08Å; F34-V195 HydrophobicContact CZ-CG1 4.26Å; I105-V195 HydrophobicContact CD1-CG1 4.05Å; A132-V195 HydrophobicContact CB-CG1 3.85Å; P134-V195 HydrophobicContact CB-CG2 4.07Å; P134-V195 HydrophobicContact CG-CB 4.24Å; P134-V195 HydrophobicContact CG-CG2 3.79Å; E191-V195 PolarHBondContact O-N 3.37Å; C192-V195 PolarHBondContact O-N 2.96Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.76Å; V195-I198 PolarHBondContact O-N 2.8Å; V195-L199 HydrophobicContact CG1-CD1 4.11Å; V195-L199 WeakPolarHBondContact O-CG 3.4Å; V195-L199 PolarHBondContact O-N 3.45Å
196L98.8Very high97.8Very high3 Ų337.8 Ų37.82%0.01620%0.202CC..Hα-helixtrans-56.6-47.5174.1179.458.6000111.4L103 C192 L193 R194 L199 Q200 M227 V230 E249 Q251 F252L103-L196 HydrophobicContact CD2-CD1 3.75Å; C192-L196 PolarHBondContact O-N 3.19Å; L193-L196 HydrophobicContact CD2-CD2 4.43Å; L193-L196 PolarHBondContact O-N 2.93Å; R194-L196 VanDerWaalsContact C-N 3.35Å; L196-L199 PolarHBondContact O-N 3.01Å; L196-Q200 WeakPolarHBondContact O-CG 3.39Å; L196-Q200 PolarHBondContact O-N 2.96Å; L196-M227 HydrophobicContact CD1-SD 4.46Å; L196-V230 HydrophobicContact CD1-CG1 3.88Å; L196-V230 HydrophobicContact CD1-CG2 4.39Å; L196-E249 HydrophobicContact CD2-CG 4.07Å; L196-Q251 HydrophobicContact CD2-CB 4.37Å; L196-F252 HydrophobicContact CD2-CE1 4.1Å; L196-F252 HydrophobicContact CD2-CE2 4.3Å; L196-F252 HydrophobicContact CD2-CZ 3.82Å
197K98.4Very high97.7Very high118 Ų11839.1 Ų39.151%0.51322%0.215SC..Hα-helixtrans-61-45.3177.4-178.2177.9170.9-175.80112.7L193 R194 V195 L199 Q200 E201L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.69Å; R194-K197 PolarHBondContact O-N 3.39Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.76Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 3.09Å; K197-Q200 WeakPolarHBondContact O-CB 3.45Å; K197-Q200 PolarHBondContact O-N 3.23Å; K197-Q200 VanDerWaalsContact O-N 3.17Å; K197-E201 WeakPolarHBondContact CE-OE1 3.23Å; K197-E201 IonicContact NZ-OE1 3.77Å; K197-E201 WeakPolarHBondContact O-CG 3.49Å; K197-E201 PolarHBondContact O-N 2.9Å
198I98.4Very high97.5Very high7 Ų736.8 Ų36.84%0.03621%0.205CC..Hα-helixtrans-56.8-46.5175.6-73.9162.9000110.5E25 S32 F34 R194 V195 Q200 E201 V202 V208 L218E25-I198 HydrophobicContact CB-CD1 3.83Å; E25-I198 HydrophobicContact CG-CD1 3.95Å; E25-I198 HydrophobicContact CG-CG1 4.35Å; S32-I198 VanDerWaalsContact CB-CD1 3.46Å; S32-I198 WeakPolarHBondContact OG-CD1 3.44Å; F34-I198 HydrophobicContact CE1-CD1 4.22Å; F34-I198 HydrophobicContact CE1-CG2 4.3Å; F34-I198 HydrophobicContact CZ-CG2 4.04Å; R194-I198 WeakPolarHBondContact O-CG1 3.5Å; R194-I198 PolarHBondContact O-N 3.37Å; V195-I198 PolarHBondContact O-N 2.8Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 3.47Å; I198-E201 PolarHBondContact O-N 3.47Å; I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 VanDerWaalsContact O-CG2 3.26Å; I198-V202 WeakPolarHBondContact O-CG2 3.43Å; I198-V202 PolarHBondContact O-N 3.39Å; I198-V208 HydrophobicContact CG2-CG1 4.02Å; I198-V208 HydrophobicContact CG2-CG2 4.5Å; I198-L218 HydrophobicContact CG2-CD1 4.18Å
199L98.4Very high97.3Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-68.4-33180-65.8174000112.2F34 L36 L103 I105 A132 V195 L196 K197 T203 I225 M227F34-L199 HydrophobicContact CE2-CD2 4.34Å; L36-L199 HydrophobicContact CD1-CD2 4.36Å; L36-L199 HydrophobicContact CD2-CD1 4.42Å; L36-L199 HydrophobicContact CD2-CD2 4.31Å; L103-L199 HydrophobicContact CD1-CD1 3.66Å; L103-L199 HydrophobicContact CD2-CB 4.42Å; L103-L199 HydrophobicContact CD2-CD1 3.89Å; L103-L199 HydrophobicContact CG-CD1 4.45Å; I105-L199 HydrophobicContact CD1-CD1 4.24Å; A132-L199 HydrophobicContact CB-CD1 3.84Å; V195-L199 HydrophobicContact CG1-CD1 4.11Å; V195-L199 WeakPolarHBondContact O-CG 3.4Å; V195-L199 PolarHBondContact O-N 3.45Å; L196-L199 PolarHBondContact O-N 3.01Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 3.09Å; L199-T203 VanDerWaalsContact O-CB 3.25Å; L199-T203 WeakPolarHBondContact O-CB 3.1Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.15Å; L199-I225 HydrophobicContact CB-CD1 4.15Å; L199-I225 HydrophobicContact CD2-CD1 4.1Å; L199-M227 HydrophobicContact CB-CE 3.94Å; L199-M227 WeakPolarHBondContact O-CE 3.26Å
200Q97.9Very high97.1Very high72 Ų7245.9 Ų45.934%0.33625%0.246SC..Hα-helixtrans-61.3-48.3170.4-73.2173.7-42.700111.6L196 K197 I198 T203 A204 M227 Q251L196-Q200 WeakPolarHBondContact O-CG 3.39Å; L196-Q200 PolarHBondContact O-N 2.96Å; K197-Q200 WeakPolarHBondContact O-CB 3.45Å; K197-Q200 PolarHBondContact O-N 3.23Å; K197-Q200 VanDerWaalsContact O-N 3.17Å; I198-Q200 VanDerWaalsContact C-N 3.34Å; I198-Q200 PolarHBondContact O-N 3.47Å; Q200-T203 PolarHBondContact O-N 3.4Å; Q200-A204 WeakPolarHBondContact O-CB 3.39Å; Q200-A204 PolarHBondContact O-N 2.64Å; Q200-M227 HydrophobicContact CB-CE 4.41Å; Q200-M227 HydrophobicContact CB-SD 4.44Å; Q200-M227 HydrophobicContact CG-CE 4.06Å; Q200-M227 HydrophobicContact CG-CG 4.26Å; Q200-M227 HydrophobicContact CG-SD 3.54Å; Q200-M227 VanDerWaalsContact CG-SD 3.54Å; Q200-Q251 VanDerWaalsContact NE2-CD 3.32Å
201E97.6Very high96.9Very high51 Ų5144.5 Ų44.524%0.23823%0.234CC..Hα-helixtrans-61.1-47.9179.6-72.3172171.200111.2K197 I198 T203 A204 G205 Q206 V208K197-E201 WeakPolarHBondContact CE-OE1 3.23Å; K197-E201 IonicContact NZ-OE1 3.77Å; K197-E201 WeakPolarHBondContact O-CG 3.49Å; K197-E201 PolarHBondContact O-N 2.9Å; I198-E201 PolarHBondContact O-N 3.47Å; E201-T203 VanDerWaalsContact C-N 3.35Å; E201-T203 PolarHBondContact O-N 2.71Å; E201-A204 CarbonylContact O-C 3.5Å; E201-A204 PolarHBondContact O-N 2.95Å; E201-G205 PolarHBondContact O-N 3.15Å; E201-Q206 HydrophobicContact CB-CB 4.13Å; E201-Q206 HydrophobicContact CB-CG 4.48Å; E201-Q206 WeakPolarHBondContact O-CB 3.45Å; E201-Q206 PolarHBondContact O-N 3.5Å; E201-V208 HydrophobicContact CB-CG2 4.28Å
202V96.7Very high96.6Very high0 Ų045.1 Ų45.10%024%0.238CC..Hα-helixtrans-58.8-45.8175169.50000111.6I198 A204 G205 V208 L218 L221I198-V202 HydrophobicContact CG2-CG2 4.44Å; I198-V202 VanDerWaalsContact O-CG2 3.26Å; I198-V202 WeakPolarHBondContact O-CG2 3.43Å; I198-V202 PolarHBondContact O-N 3.39Å; V202-A204 VanDerWaalsContact C-N 3.28Å; V202-A204 PolarHBondContact O-N 2.7Å; V202-G205 WeakPolarHBondContact O-CA 3.27Å; V202-G205 PolarHBondContact O-N 3.43Å; V202-V208 HydrophobicContact CG2-CB 3.86Å; V202-V208 HydrophobicContact CG2-CG2 3.67Å; V202-L218 HydrophobicContact CG1-CB 4.19Å; V202-L218 WeakPolarHBondContact CG1-O 3.49Å; V202-L218 HydrophobicContact CG2-CB 3.82Å; V202-L218 HydrophobicContact CG2-CD1 3.95Å; V202-L218 HydrophobicContact CG2-CG 4.34Å; V202-L221 HydrophobicContact CG1-CB 3.98Å
203T95.5Very high96.1Very high24 Ų2451.4 Ų51.415%0.14728%0.278CS..Hα-helixtrans-63.5-37.8179.7-59.60000111.2L199 Q200 E201 G205 G223 I225 M227L199-T203 VanDerWaalsContact O-CB 3.25Å; L199-T203 WeakPolarHBondContact O-CB 3.1Å; L199-T203 PolarHBondContact O-N 2.89Å; L199-T203 PolarHBondContact O-OG1 3.15Å; Q200-T203 PolarHBondContact O-N 3.4Å; E201-T203 VanDerWaalsContact C-N 3.35Å; E201-T203 PolarHBondContact O-N 2.71Å; T203-G205 PolarHBondContact O-N 3.29Å; T203-G223 PolarHBondContact O-N 3.03Å; T203-G223 VanDerWaalsContact O-N 3.08Å; T203-I225 HydrophobicContact CG2-CB 4.37Å; T203-I225 WeakPolarHBondContact CG2-O 3.37Å; T203-M227 HydrophobicContact CG2-CG 4.45Å; T203-M227 VanDerWaalsContact OG1-CE 3.32Å; T203-M227 WeakPolarHBondContact OG1-CE 3.47Å
204A95.8Very high95.6Very high80 Ų8052 Ų5266%0.66130%0.295SS*.THydrogen-bonded Turntrans-71.5-3.3173.500000113.7Q200 E201 V202Q200-A204 WeakPolarHBondContact O-CB 3.39Å; Q200-A204 PolarHBondContact O-N 2.64Å; E201-A204 CarbonylContact O-C 3.5Å; E201-A204 PolarHBondContact O-N 2.95Å; V202-A204 VanDerWaalsContact C-N 3.28Å; V202-A204 PolarHBondContact O-N 2.7Å
205G95.3Very high95.2Very high24 Ų2450 Ų5025%0.24729%0.294CS..THydrogen-bonded Turntrans85.514.8177.800000114.6E201 V202 T203E201-G205 PolarHBondContact O-N 3.15Å; V202-G205 WeakPolarHBondContact O-CA 3.27Å; V202-G205 PolarHBondContact O-N 3.43Å; T203-G205 PolarHBondContact O-N 3.29Å
206Q96.7Very high95.1Very high107 Ų10750.1 Ų50.150%0.530%0.295SS..  trans-76.1139.4170.1-56.7-175.318.900109.9E201 V208E201-Q206 HydrophobicContact CB-CB 4.13Å; E201-Q206 HydrophobicContact CB-CG 4.48Å; E201-Q206 WeakPolarHBondContact O-CB 3.45Å; E201-Q206 PolarHBondContact O-N 3.5Å; Q206-V208 PolarHBondContact O-N 2.9Å
207T94.8Very high94.9Very high90 Ų9054.5 Ų54.555%0.55232%0.318SS*.  trans-75.2119.5177.5-53.40000110.2F209T207-F209 HydrophobicContact CG2-CD1 4.36Å; T207-F209 HydrophobicContact CG2-CE1 3.86Å; T207-F209 HydrophobicContact CG2-CE2 4.06Å; T207-F209 HydrophobicContact CG2-CZ 3.7Å
208V94.7Very high94.7Very high16 Ų1648.9 Ų48.910%0.09729%0.294CS..  trans-114.1123170.4-179.90000108.7E25 I198 E201 V202 Q206 L218E25-V208 HydrophobicContact CB-CG1 4.32Å; E25-V208 HydrophobicContact CG-CG1 3.57Å; I198-V208 HydrophobicContact CG2-CG1 4.02Å; I198-V208 HydrophobicContact CG2-CG2 4.5Å; E201-V208 HydrophobicContact CB-CG2 4.28Å; V202-V208 HydrophobicContact CG2-CB 3.86Å; V202-V208 HydrophobicContact CG2-CG2 3.67Å; Q206-V208 PolarHBondContact O-N 2.9Å; V208-L218 HydrophobicContact CB-CD1 3.8Å; V208-L218 HydrophobicContact CG1-CD1 3.66Å
209F93.3Very high94.4Very high159 Ų15951.1 Ų51.170%0.69730%0.304SS*.  trans-85.7126.2-177.3-63.6-77.7000111.2T207T207-F209 HydrophobicContact CG2-CD1 4.36Å; T207-F209 HydrophobicContact CG2-CE1 3.86Å; T207-F209 HydrophobicContact CG2-CE2 4.06Å; T207-F209 HydrophobicContact CG2-CZ 3.7Å
210N95.7Very high94.1Very high35 Ų3553.8 Ų53.819%0.18732%0.321CS..  trans-88.4117.8170-171.8-4.1000109.3D22 M24 L212 G215 L216D22-N210 PolarHBondContact O-ND2 3.13Å; M24-N210 PolarHBondContact N-OD1 3.34Å; M24-N210 WeakPolarHBondContact O-CA 3.46Å; M24-N210 PolarHBondContact O-OD1 3Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 PolarHBondContact O-N 2.84Å; N210-L212 WeakPolarHBondContact OD1-CB 3.17Å; N210-L212 PolarHBondContact OD1-N 2.8Å; N210-G215 VanDerWaalsContact ND2-C 3.31Å; N210-G215 VanDerWaalsContact ND2-CA 3.34Å; N210-G215 WeakPolarHBondContact ND2-CA 3.44Å; N210-L216 PolarHBondContact ND2-N 2.87Å; N210-L216 PolarHBondContact ND2-O 3.31Å
211I94.6Very high93.9Very high30 Ų3050.4 Ų50.415%0.15431%0.305CS..  trans-82.4-5-176.971177.6000113.2M24 G26 Q27 C147 L161 P213M24-I211 HydrophobicContact CB-CD1 4.4Å; M24-I211 HydrophobicContact CB-CG1 3.82Å; M24-I211 HydrophobicContact CG-CD1 3.88Å; M24-I211 HydrophobicContact CG-CG1 3.87Å; M24-I211 WeakPolarHBondContact O-CG1 3.42Å; M24-I211 PolarHBondContact O-N 3.01Å; M24-I211 HydrophobicContact SD-CD1 3.83Å; M24-I211 HydrophobicContact SD-CG1 4.11Å; G26-I211 VanDerWaalsContact O-CD1 3.3Å; G26-I211 WeakPolarHBondContact O-CD1 3.39Å; Q27-I211 HydrophobicContact CG-CD1 4.06Å; Q27-I211 HydrophobicContact CG-CG2 4.28Å; C147-I211 HydrophobicContact CB-CD1 3.71Å; L161-I211 HydrophobicContact CD1-CB 4.05Å; L161-I211 HydrophobicContact CD1-CD1 4.35Å; L161-I211 HydrophobicContact CD1-CG1 4.48Å; I211-P213 WeakPolarHBondContact O-CD 3.47Å
212L92.5Very high93.7Very high22 Ų2253.8 Ų53.812%0.11532%0.319CS..SBendtrans-77.5125.6177.3-65.4171.8000110.6D22 M24 F33 N210 G214 G215D22-L212 HydrophobicContact CB-CD1 3.8Å; M24-L212 HydrophobicContact CB-CD1 3.89Å; M24-L212 HydrophobicContact CB-CD2 4.02Å; M24-L212 HydrophobicContact CB-CG 3.62Å; M24-L212 HydrophobicContact CE-CD2 4.18Å; M24-L212 HydrophobicContact SD-CD2 4.47Å; F33-L212 HydrophobicContact CD2-CD1 4.45Å; F33-L212 HydrophobicContact CE2-CD1 3.77Å; N210-L212 VanDerWaalsContact C-N 3.27Å; N210-L212 PolarHBondContact O-N 2.84Å; N210-L212 WeakPolarHBondContact OD1-CB 3.17Å; N210-L212 PolarHBondContact OD1-N 2.8Å; L212-G214 PolarHBondContact O-N 3Å; L212-G215 PolarHBondContact O-N 2.84Å
213P88.1Confident93.6Very high132 Ų13256.1 Ų56.186%0.85734%0.343SS*.THydrogen-bonded Turntrans-57.7124.6169.2-22.633.6000110.5I211 G215I211-P213 WeakPolarHBondContact O-CD 3.47Å; P213-G215 PolarHBondContact O-N 3.03Å
214G87.1Confident93.6Very high59 Ų5955.8 Ų55.861%0.60834%0.34SS*.THydrogen-bonded Turntrans67.517-176.200000114.2N91 L212N91-G214 PolarHBondContact ND2-O 3.39Å; L212-G214 PolarHBondContact O-N 3Å
215G91.3Very high93.7Very high19 Ų1952.3 Ų52.320%0.19631%0.311CS..  trans-68.4167.3171.100000112.5N210 L212 P213 D217N210-G215 VanDerWaalsContact ND2-C 3.31Å; N210-G215 VanDerWaalsContact ND2-CA 3.34Å; N210-G215 WeakPolarHBondContact ND2-CA 3.44Å; L212-G215 PolarHBondContact O-N 2.84Å; P213-G215 PolarHBondContact O-N 3.03Å; G215-D217 PolarHBondContact O-N 3.43Å
216L95Very high93.9Very high5 Ų552.5 Ų52.53%0.02631%0.306CS..  trans-63132.7178.6-173.666.3000111.3D22 V23 L36 Y38 N91 N210 L218 L221D22-L216 PolarHBondContact O-N 3.22Å; D22-L216 VanDerWaalsContact O-N 3.13Å; V23-L216 HydrophobicContact CG2-CB 4.07Å; V23-L216 HydrophobicContact CG2-CD2 4.45Å; L36-L216 HydrophobicContact CB-CD2 4.22Å; L36-L216 HydrophobicContact CD1-CD2 3.63Å; Y38-L216 HydrophobicContact CE1-CD1 4.2Å; Y38-L216 HydrophobicContact CE1-CD2 3.78Å; Y38-L216 VanDerWaalsContact OH-CD1 3.28Å; Y38-L216 WeakPolarHBondContact OH-CD1 3.47Å; N91-L216 HydrophobicContact CB-CD1 4.32Å; N91-L216 WeakPolarHBondContact OD1-CA 3.27Å; N210-L216 PolarHBondContact ND2-N 2.87Å; N210-L216 PolarHBondContact ND2-O 3.31Å; L216-L218 PolarHBondContact O-N 3.03Å; L216-L221 HydrophobicContact CD2-CD1 4.11Å
217D94.6Very high93.9Very high94 Ų9449.2 Ų49.250%0.50329%0.291SS..  trans-73.5106164.8177.513.5000109.5G215 M219 T220G215-D217 PolarHBondContact O-N 3.43Å; D217-M219 PolarHBondContact O-N 3.21Å; D217-M219 WeakPolarHBondContact OD1-CB 3.46Å; D217-M219 PolarHBondContact OD1-N 2.91Å; D217-T220 HydrophobicContact CB-CG2 4.21Å; D217-T220 WeakPolarHBondContact O-CB 3.44Å; D217-T220 WeakPolarHBondContact O-CG2 3.17Å; D217-T220 PolarHBondContact O-N 3.41Å; D217-T220 PolarHBondContact O-OG1 2.93Å
218L94.3Very high94Very high1 Ų148.4 Ų48.41%0.00529%0.289CS..G310 helixtrans-62.6-25.5-179.9-77.3173.6000112.9V23 F34 L36 I198 V202 V208 L216 T220 L221V23-L218 HydrophobicContact CG1-CD1 3.73Å; V23-L218 HydrophobicContact CG1-CD2 4.23Å; V23-L218 HydrophobicContact CG1-CG 4.11Å; V23-L218 HydrophobicContact CG2-CD2 3.74Å; V23-L218 HydrophobicContact CG2-CG 4.12Å; F34-L218 HydrophobicContact CZ-CD2 4.48Å; L36-L218 HydrophobicContact CD1-CD2 3.95Å; I198-L218 HydrophobicContact CG2-CD1 4.18Å; V202-L218 HydrophobicContact CG1-CB 4.19Å; V202-L218 WeakPolarHBondContact CG1-O 3.49Å; V202-L218 HydrophobicContact CG2-CB 3.82Å; V202-L218 HydrophobicContact CG2-CD1 3.95Å; V202-L218 HydrophobicContact CG2-CG 4.34Å; V208-L218 HydrophobicContact CB-CD1 3.8Å; V208-L218 HydrophobicContact CG1-CD1 3.66Å; L216-L218 PolarHBondContact O-N 3.03Å; L218-T220 PolarHBondContact O-N 2.87Å; L218-T220 VanDerWaalsContact O-N 3.1Å; L218-L221 HydrophobicContact CD2-CD1 4.18Å; L218-L221 WeakPolarHBondContact O-CB 3.25Å; L218-L221 VanDerWaalsContact O-CD1 3.27Å; L218-L221 WeakPolarHBondContact O-CD1 3.42Å; L218-L221 PolarHBondContact O-N 2.97Å
219M92.8Very high94.1Very high53 Ų5350.2 Ų50.226%0.26129%0.294SS..G310 helixtrans-64.9-18.5-178.4-66.2-53.2-59.900112.9D217 L221 K222D217-M219 PolarHBondContact O-N 3.21Å; D217-M219 WeakPolarHBondContact OD1-CB 3.46Å; D217-M219 PolarHBondContact OD1-N 2.91Å; M219-L221 PolarHBondContact O-N 2.8Å; M219-K222 HydrophobicContact CE-CD 4.19Å; M219-K222 VanDerWaalsContact O-CB 3.26Å; M219-K222 WeakPolarHBondContact O-CB 3.45Å; M219-K222 PolarHBondContact O-N 2.72Å; M219-K222 VanDerWaalsContact O-N 3.15Å
220T91.7Very high94.4Very high57 Ų5742.7 Ų42.735%0.3526%0.261SS..G310 helixtrans-62-21.3171.164.50000113.3D217 L218D217-T220 HydrophobicContact CB-CG2 4.21Å; D217-T220 WeakPolarHBondContact O-CB 3.44Å; D217-T220 WeakPolarHBondContact O-CG2 3.17Å; D217-T220 PolarHBondContact O-N 3.41Å; D217-T220 PolarHBondContact O-OG1 2.93Å; L218-T220 PolarHBondContact O-N 2.87Å; L218-T220 VanDerWaalsContact O-N 3.1Å
221L93.7Very high94.5Very high0 Ų041 Ų410%025%0.252CS..G310 helixtrans-90.4-1.4178.1-6292.7000113.4L36 F94 V130 V202 L216 L218 M219 G223 N224 I225L36-L221 HydrophobicContact CD1-CD1 4.45Å; L36-L221 HydrophobicContact CD1-CD2 4.08Å; F94-L221 HydrophobicContact CD2-CD2 4.38Å; F94-L221 HydrophobicContact CD2-CG 3.97Å; F94-L221 HydrophobicContact CE2-CD2 4.05Å; F94-L221 HydrophobicContact CE2-CG 4.03Å; V130-L221 HydrophobicContact CG1-CD2 4.38Å; V202-L221 HydrophobicContact CG1-CB 3.98Å; L216-L221 HydrophobicContact CD2-CD1 4.11Å; L218-L221 HydrophobicContact CD2-CD1 4.18Å; L218-L221 WeakPolarHBondContact O-CB 3.25Å; L218-L221 VanDerWaalsContact O-CD1 3.27Å; L218-L221 WeakPolarHBondContact O-CD1 3.42Å; L218-L221 PolarHBondContact O-N 2.97Å; M219-L221 PolarHBondContact O-N 2.8Å; L221-G223 PolarHBondContact O-N 3.02Å; L221-N224 WeakPolarHBondContact O-CB 3.42Å; L221-N224 PolarHBondContact O-N 3.35Å; L221-I225 HydrophobicContact CB-CD1 4.49Å; L221-I225 HydrophobicContact CD2-CD1 3.96Å
222K94.7Very high94.8Very high123 Ų12339.6 Ų39.654%0.53525%0.245SC..THydrogen-bonded Turntrans-52125.3-177.5176.6178.9176.3178.90111.3M219 N224M219-K222 HydrophobicContact CE-CD 4.19Å; M219-K222 VanDerWaalsContact O-CB 3.26Å; M219-K222 WeakPolarHBondContact O-CB 3.45Å; M219-K222 PolarHBondContact O-N 2.72Å; M219-K222 VanDerWaalsContact O-N 3.15Å; K222-N224 PolarHBondContact O-N 3.42Å; K222-N224 PolarHBondContact O-ND2 3.32Å
223G94.1Very high95.1Very high49 Ų4938.5 Ų38.551%0.50524%0.239SC..THydrogen-bonded Turntrans66.89.1178.900000115.9T203 L221T203-G223 PolarHBondContact O-N 3.03Å; T203-G223 VanDerWaalsContact O-N 3.08Å; L221-G223 PolarHBondContact O-N 3.02Å
224N95.9Very high95.6Very high17 Ų1732.2 Ų32.29%0.09120%0.198CC..  trans-110.55.3-171.7-76.7-77.4000114.8F94 T96 K97 G100 Y101 L221 K222F94-N224 HydrophobicContact CD1-CB 4.14Å; F94-N224 HydrophobicContact CE1-CB 3.4Å; F94-N224 HydrophobicContact CZ-CB 3.84Å; T96-N224 WeakPolarHBondContact CA-OD1 3.25Å; T96-N224 WeakPolarHBondContact CB-OD1 3.39Å; T96-N224 WeakPolarHBondContact CG2-OD1 3.35Å; K97-N224 PolarHBondContact N-OD1 3.42Å; K97-N224 VanDerWaalsContact N-OD1 3.16Å; G100-N224 CarbonylContact C-O 3.58Å; G100-N224 VanDerWaalsContact CA-O 3.26Å; G100-N224 WeakPolarHBondContact CA-O 3.46Å; Y101-N224 PolarHBondContact N-O 3.11Å; L221-N224 WeakPolarHBondContact O-CB 3.42Å; L221-N224 PolarHBondContact O-N 3.35Å; K222-N224 PolarHBondContact O-N 3.42Å; K222-N224 PolarHBondContact O-ND2 3.32Å
225I97.8Very high96.1Very high7 Ų729.7 Ų29.74%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-113.5127.8175.1-53.2177.5000109.2L103 V130 L199 T203 L221 M227L103-I225 HydrophobicContact CB-CG2 3.79Å; L103-I225 HydrophobicContact CD2-CG2 4.33Å; L103-I225 HydrophobicContact CG-CG2 4.49Å; V130-I225 HydrophobicContact CG1-CD1 4.33Å; V130-I225 HydrophobicContact CG2-CG1 4.38Å; L199-I225 HydrophobicContact CB-CD1 4.15Å; L199-I225 HydrophobicContact CD2-CD1 4.1Å; T203-I225 HydrophobicContact CG2-CB 4.37Å; T203-I225 WeakPolarHBondContact CG2-O 3.37Å; L221-I225 HydrophobicContact CB-CD1 4.49Å; L221-I225 HydrophobicContact CD2-CD1 3.96Å; I225-M227 HydrophobicContact CB-CE 3.92Å; I225-M227 HydrophobicContact CD1-CE 4.29Å; I225-M227 HydrophobicContact CG2-CE 3.67Å; I225-M227 HydrophobicContact CG2-SD 4.36Å; I225-M227 PolarHBondContact O-N 2.83Å
226D97.7Very high96.4Very high27 Ų2729.2 Ų29.214%0.14416%0.164CC..EExtended strand (participates in β ladder)trans-81.695.8173.9-174.3-9.8000110Y101 S228 R229Y101-D226 PolarHBondContact O-N 2.93Å; D226-S228 PolarHBondContact O-N 3.18Å; D226-S228 VanDerWaalsContact O-N 3.15Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.25Å; D226-S228 PolarHBondContact OD1-N 2.91Å; D226-S228 PolarHBondContact OD1-OG 3.35Å; D226-S228 PolarHBondContact OD2-OG 2.89Å; D226-R229 HydrophobicContact CB-CB 4.43Å; D226-R229 PolarHBondContact O-N 2.84Å; D226-R229 WeakPolarHBondContact OD2-CD 3.1Å; D226-R229 WeakPolarHBondContact OD2-CG 3.48Å; D226-R229 IonicContact OD2-CZ 3.66Å; D226-R229 IonicContact OD2-NE 3.11Å; D226-R229 PolarHBondContact OD2-NE 3.46Å; D226-R229 VanDerWaalsContact OD2-NE 3.11Å
227M97.1Very high96.6Very high38 Ų3829 Ų2919%0.18716%0.163CC..EExtended strand (participates in β ladder)trans-68.4-6.5179.8-71.2-63.6165.500114.1L103 L196 L199 Q200 T203 I225 V230 Q251L103-M227 HydrophobicContact CD2-CE 4.36Å; L103-M227 HydrophobicContact CD2-SD 4.45Å; L196-M227 HydrophobicContact CD1-SD 4.46Å; L199-M227 HydrophobicContact CB-CE 3.94Å; L199-M227 WeakPolarHBondContact O-CE 3.26Å; Q200-M227 HydrophobicContact CB-CE 4.41Å; Q200-M227 HydrophobicContact CB-SD 4.44Å; Q200-M227 HydrophobicContact CG-CE 4.06Å; Q200-M227 HydrophobicContact CG-CG 4.26Å; Q200-M227 HydrophobicContact CG-SD 3.54Å; Q200-M227 VanDerWaalsContact CG-SD 3.54Å; T203-M227 HydrophobicContact CG2-CG 4.45Å; T203-M227 VanDerWaalsContact OG1-CE 3.32Å; T203-M227 WeakPolarHBondContact OG1-CE 3.47Å; I225-M227 HydrophobicContact CB-CE 3.92Å; I225-M227 HydrophobicContact CD1-CE 4.29Å; I225-M227 HydrophobicContact CG2-CE 3.67Å; I225-M227 HydrophobicContact CG2-SD 4.36Å; I225-M227 PolarHBondContact O-N 2.83Å; M227-V230 WeakPolarHBondContact O-CG2 3.22Å; M227-Q251 PolarHBondContact O-NE2 3.35Å
228S96.9Very high96.8Very high73 Ų7324.5 Ų24.551%0.5114%0.139SC..EExtended strand (participates in β ladder)trans-85.9-9.2170.878.20000113D226 R253D226-S228 PolarHBondContact O-N 3.18Å; D226-S228 VanDerWaalsContact O-N 3.15Å; D226-S228 VanDerWaalsContact OD1-CB 3.31Å; D226-S228 WeakPolarHBondContact OD1-CB 3.25Å; D226-S228 PolarHBondContact OD1-N 2.91Å; D226-S228 PolarHBondContact OD1-OG 3.35Å; D226-S228 PolarHBondContact OD2-OG 2.89Å; S228-R253 WeakPolarHBondContact O-CD 3.47Å
229R98Very high97Very high55 Ų5524.5 Ų24.521%0.20814%0.139CC..EExtended strand (participates in β ladder)trans-126.370.8-176-61.8-177.5-171.6178.4-1.1110.9P102 L103 D226 L361P102-R229 WeakPolarHBondContact CA-O 3.38Å; P102-R229 HydrophobicContact CB-CB 3.92Å; L103-R229 PolarHBondContact N-O 3.08Å; D226-R229 HydrophobicContact CB-CB 4.43Å; D226-R229 PolarHBondContact O-N 2.84Å; D226-R229 WeakPolarHBondContact OD2-CD 3.1Å; D226-R229 WeakPolarHBondContact OD2-CG 3.48Å; D226-R229 IonicContact OD2-CZ 3.66Å; D226-R229 IonicContact OD2-NE 3.11Å; D226-R229 PolarHBondContact OD2-NE 3.46Å; D226-R229 VanDerWaalsContact OD2-NE 3.11Å; R229-L361 HydrophobicContact CB-CB 4.32Å; R229-L361 VanDerWaalsContact CD-O 3.25Å; R229-L361 WeakPolarHBondContact CD-O 3.34Å; R229-L361 WeakPolarHBondContact CG-O 3.35Å; R229-L361 PolarHBondContact NE-O 2.55Å
230V98.7Very high97.2Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-112.3129.1-179.4-165.30000110.4L103 L196 M227 Q251 F252 R253L103-V230 HydrophobicContact CB-CG1 4.14Å; L103-V230 HydrophobicContact CB-CG2 4.34Å; L103-V230 HydrophobicContact CD2-CG1 4.01Å; L103-V230 HydrophobicContact CG-CG1 4.07Å; L103-V230 CarbonylContact O-C 3.53Å; L103-V230 WeakPolarHBondContact O-CA 3.31Å; L196-V230 HydrophobicContact CD1-CG1 3.88Å; L196-V230 HydrophobicContact CD1-CG2 4.39Å; M227-V230 WeakPolarHBondContact O-CG2 3.22Å; V230-Q251 HydrophobicContact CB-CG 4.49Å; V230-Q251 HydrophobicContact CG2-CG 4.04Å; V230-F252 HydrophobicContact CB-CD1 4.35Å; V230-F252 HydrophobicContact CG1-CD1 3.66Å; V230-F252 HydrophobicContact CG1-CE1 3.64Å; V230-F252 WeakPolarHBondContact O-CA 3.19Å; V230-R253 PolarHBondContact O-N 3.47Å
231A98.9Very high97.5Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-116.9158.1170.100000110.7L103 I104 I105 L357 L361L103-A231 PolarHBondContact O-N 2.78Å; I104-A231 WeakPolarHBondContact CA-O 3.42Å; I104-A231 HydrophobicContact CG1-CB 4.43Å; I105-A231 PolarHBondContact N-O 2.8Å; A231-L357 HydrophobicContact CB-CD2 3.6Å; A231-L361 HydrophobicContact CB-CD1 4.1Å; A231-L361 HydrophobicContact CB-CD2 4.34Å
232V98.9Very high97.7Very high0 Ų019.2 Ų19.20%011%0.11CC..EExtended strand (participates in β ladder)trans-118.9135170.462.70000109.6I105 A242 A245 L246 F252 C254 A255 V256I105-V232 HydrophobicContact CB-CG2 4.47Å; I105-V232 CarbonylContact O-C 3.57Å; I105-V232 WeakPolarHBondContact O-CA 3.39Å; V232-A242 HydrophobicContact CB-CB 4.49Å; V232-A242 HydrophobicContact CG1-CB 4.11Å; V232-A242 VanDerWaalsContact CG1-O 3.25Å; V232-A242 WeakPolarHBondContact CG1-O 3.36Å; V232-A242 HydrophobicContact CG2-CB 3.9Å; V232-A245 HydrophobicContact CG1-CB 4.31Å; V232-A245 HydrophobicContact CG2-CB 4.09Å; V232-L246 HydrophobicContact CG1-CB 4.23Å; V232-F252 HydrophobicContact CB-CD1 3.76Å; V232-F252 HydrophobicContact CB-CD2 4.32Å; V232-F252 HydrophobicContact CB-CE1 3.84Å; V232-F252 HydrophobicContact CB-CE2 4.4Å; V232-F252 HydrophobicContact CB-CG 4.02Å; V232-F252 HydrophobicContact CB-CZ 4.18Å; V232-F252 HydrophobicContact CG1-CB 4.27Å; V232-F252 HydrophobicContact CG1-CD1 4.21Å; V232-F252 HydrophobicContact CG1-CD2 4.25Å; V232-F252 HydrophobicContact CG1-CG 4Å; V232-F252 HydrophobicContact CG2-CZ 4.45Å; V232-C254 PolarHBondContact N-O 3.05Å; V232-A255 HydrophobicContact CG1-CB 3.85Å; V232-A255 CarbonylContact O-C 2.98Å; V232-A255 WeakPolarHBondContact O-CA 3.36Å; V232-V256 PolarHBondContact O-N 2.73Å
233M98.9Very high97.8Very high0 Ų013.6 Ų13.60%09%0.085CC..EExtended strand (participates in β ladder)trans-130.1158.9-178.9-60.5-176.36300109.7I104 I105 F106 S107 L124 V256 M353 L357I104-M233 HydrophobicContact CB-SD 4.5Å; I104-M233 HydrophobicContact CD1-SD 3.83Å; I104-M233 HydrophobicContact CG1-SD 4.23Å; I104-M233 HydrophobicContact CG2-CB 4.01Å; I104-M233 HydrophobicContact CG2-CG 3.65Å; I104-M233 HydrophobicContact CG2-SD 3.49Å; I104-M233 WeakPolarHBondContact CG2-SD 3.38Å; I105-M233 PolarHBondContact O-N 2.79Å; F106-M233 CarbonylContact C-O 3.6Å; F106-M233 VanDerWaalsContact CA-O 3.31Å; F106-M233 WeakPolarHBondContact CA-O 2.93Å; F106-M233 HydrophobicContact CD2-CB 3.72Å; F106-M233 HydrophobicContact CE2-CB 4.24Å; F106-M233 HydrophobicContact CG-CB 4.42Å; S107-M233 PolarHBondContact N-O 2.98Å; L124-M233 HydrophobicContact CD1-CE 4.2Å; L124-M233 HydrophobicContact CD1-SD 4.11Å; M233-V256 CarbonylContact C-O 3.55Å; M233-V256 VanDerWaalsContact CA-O 3.25Å; M233-V256 WeakPolarHBondContact CA-O 3.48Å; M233-V256 HydrophobicContact CB-CB 4.47Å; M233-V256 HydrophobicContact CE-CB 3.78Å; M233-V256 HydrophobicContact CE-CG1 3.94Å; M233-V256 HydrophobicContact CE-CG2 4.13Å; M233-V256 HydrophobicContact CG-CB 3.87Å; M233-V256 HydrophobicContact CG-CG2 4.21Å; M233-V256 HydrophobicContact SD-CB 4.39Å; M233-V256 HydrophobicContact SD-CG2 4.41Å; M233-M353 HydrophobicContact CE-CB 4.44Å; M233-M353 HydrophobicContact CE-CG 4.07Å; M233-M353 HydrophobicContact CE-SD 3.28Å; M233-M353 WeakPolarHBondContact CE-SD 3.42Å; M233-L357 HydrophobicContact SD-CD1 4.32Å
234G98.8Very high97.9Very high0 Ų011.6 Ų11.60%06%0.063CC..EExtended strand (participates in β ladder)trans-178.7162.3167.200000113.8S107 G238 G239 V256 L258S107-G234 WeakPolarHBondContact O-CA 3.34Å; G234-G238 WeakPolarHBondContact CA-O 3.46Å; G234-G239 WeakPolarHBondContact O-CA 3.34Å; G234-G239 PolarHBondContact O-N 3.43Å; G234-V256 PolarHBondContact N-O 3.19Å; G234-V256 VanDerWaalsContact N-O 3.08Å; G234-L258 PolarHBondContact O-N 3.04Å
235H98.8Very high98Very high6 Ų610.8 Ų10.83%0.0286%0.059CC..EExtended strand (participates in β ladder)trans-109.7138.7-177.5168.1-112000112F106 S107 G109 Y117 F237 G238 L258 H314 Q317F106-H235 HydrophobicContact CZ-CB 4.44Å; S107-H235 PolarHBondContact O-N 3.4Å; S107-H235 VanDerWaalsContact O-N 3.16Å; G109-H235 WeakPolarHBondContact CA-O 3.33Å; G109-H235 PolarHBondContact N-O 3.32Å; Y117-H235 HydrophobicContact CD1-CB 4.19Å; Y117-H235 HydrophobicContact CE1-CB 3.38Å; Y117-H235 AromaticContact CE1-CG 3.56Å; Y117-H235 AromaticContact CE1-ND1 3.38Å; Y117-H235 WeakPolarHBondContact CE1-ND1 3.22Å; Y117-H235 AromaticContact CZ-ND1 3.54Å; Y117-H235 PolarHBondContact OH-ND1 3.43Å; H235-F237 PolarHBondContact O-N 3.03Å; H235-F237 VanDerWaalsContact O-N 3.11Å; H235-G238 WeakPolarHBondContact O-CA 3.43Å; H235-G238 PolarHBondContact O-N 2.9Å; H235-L258 CarbonylContact C-O 3.6Å; H235-L258 VanDerWaalsContact CA-O 3.26Å; H235-L258 WeakPolarHBondContact CA-O 3.3Å; H235-L258 HydrophobicContact CB-CB 4.1Å; H235-L258 PolarHBondContact CD2-O 3.45Å; H235-H314 AromaticContact CE1-CE1 3.73Å; H235-H314 AromaticContact CE1-NE2 3.64Å; H235-H314 AromaticContact NE2-CE1 3.25Å; H235-H314 PolarHBondContact NE2-CE1 2.91Å; H235-H314 VanDerWaalsContact NE2-CE1 3.25Å; H235-H314 AromaticContact NE2-ND1 3.53Å; H235-H314 AromaticContact NE2-NE2 3.63Å; H235-H314 PolarHBondContact NE2-O 3.26Å; H235-Q317 PolarHBondContact CD2-OE1 3.23Å; H235-Q317 VanDerWaalsContact CD2-OE1 3.32Å
236S98.1Very high97.9Very high9 Ų910.4 Ų10.46%0.0636%0.057CC..THydrogen-bonded Turntrans57-114.8174.8-170.80000110.9G238 G239 A240 L258 D259 W261 H314S236-G238 PolarHBondContact O-N 3.07Å; S236-G239 WeakPolarHBondContact O-CA 3.2Å; S236-G239 PolarHBondContact O-N 2.79Å; S236-A240 PolarHBondContact O-N 3.32Å; S236-L258 PolarHBondContact N-O 2.89Å; S236-D259 WeakPolarHBondContact CA-O 3.34Å; S236-W261 PolarHBondContact O-N 3.43Å; S236-H314 WeakPolarHBondContact CB-CE1 3.18Å; S236-H314 VanDerWaalsContact CB-NE2 3.28Å; S236-H314 WeakPolarHBondContact CB-NE2 3.25Å; S236-H314 PolarHBondContact OG-CE1 3.36Å; S236-H314 PolarHBondContact OG-NE2 3.31Å
237F98.7Very high97.7Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-57.3-36.2171.7-158.3178.6000112.7L110 R181 Q184 V185 H235 G239 A240 T241 W261 P264L110-F237 HydrophobicContact CB-CB 4.22Å; L110-F237 HydrophobicContact CB-CD1 4.07Å; L110-F237 HydrophobicContact CD1-CD1 3.77Å; L110-F237 HydrophobicContact CD1-CE1 4.02Å; R181-F237 HydrophobicContact CB-CZ 4.24Å; R181-F237 WeakPolarHBondContact O-CZ 3.02Å; Q184-F237 HydrophobicContact CB-CE1 4.09Å; Q184-F237 HydrophobicContact CB-CZ 3.69Å; V185-F237 HydrophobicContact CB-CE2 3.76Å; V185-F237 HydrophobicContact CB-CZ 4.42Å; V185-F237 HydrophobicContact CG2-CD2 4.44Å; V185-F237 HydrophobicContact CG2-CE2 4.02Å; H235-F237 PolarHBondContact O-N 3.03Å; H235-F237 VanDerWaalsContact O-N 3.11Å; F237-G239 VanDerWaalsContact C-N 3.26Å; F237-G239 PolarHBondContact O-N 3.1Å; F237-A240 WeakPolarHBondContact O-CB 3.34Å; F237-A240 PolarHBondContact O-N 3.25Å; F237-T241 PolarHBondContact O-N 3.34Å; F237-T241 PolarHBondContact O-OG1 3.01Å; F237-W261 HydrophobicContact CB-CE3 4.11Å; F237-W261 HydrophobicContact CD1-CZ3 4.22Å; F237-W261 HydrophobicContact CD2-CE3 4.18Å; F237-W261 HydrophobicContact CD2-CZ3 4.37Å; F237-W261 HydrophobicContact CE1-CZ3 4.44Å; F237-W261 HydrophobicContact CG-CE3 4.05Å; F237-W261 HydrophobicContact CG-CZ3 4.17Å; F237-P264 HydrophobicContact CD2-CB 4.16Å; F237-P264 HydrophobicContact CD2-CG 3.65Å; F237-P264 HydrophobicContact CE2-CB 3.46Å; F237-P264 VanDerWaalsContact CE2-CB 3.46Å; F237-P264 HydrophobicContact CE2-CG 3.36Å; F237-P264 HydrophobicContact CZ-CB 4.25Å; F237-P264 HydrophobicContact CZ-CG 4.18Å
238G98.8Very high97.5Very high0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-66.6-25.1172.900000113.9S107 H108 G234 H235 S236 T241 A242S107-G238 WeakPolarHBondContact O-CA 3.34Å; S107-G238 VanDerWaalsContact OG-CA 3.27Å; S107-G238 WeakPolarHBondContact OG-CA 3.38Å; H108-G238 WeakPolarHBondContact O-CA 3.48Å; H108-G238 PolarHBondContact O-N 3.19Å; G234-G238 WeakPolarHBondContact CA-O 3.46Å; H235-G238 WeakPolarHBondContact O-CA 3.43Å; H235-G238 PolarHBondContact O-N 2.9Å; S236-G238 PolarHBondContact O-N 3.07Å; G238-T241 WeakPolarHBondContact O-CB 3.33Å; G238-T241 PolarHBondContact O-N 2.88Å; G238-A242 WeakPolarHBondContact O-CB 3.31Å; G238-A242 PolarHBondContact O-N 3.22Å
239G98.3Very high97.5Very high0 Ų010.8 Ų10.80%05%0.049CC..Hα-helixtrans-66.1-44.2171.200000111.6G234 S236 F237 T241 A242 I243G234-G239 WeakPolarHBondContact O-CA 3.34Å; G234-G239 PolarHBondContact O-N 3.43Å; S236-G239 WeakPolarHBondContact O-CA 3.2Å; S236-G239 PolarHBondContact O-N 2.79Å; F237-G239 VanDerWaalsContact C-N 3.26Å; F237-G239 PolarHBondContact O-N 3.1Å; G239-T241 VanDerWaalsContact C-N 3.33Å; G239-T241 PolarHBondContact O-N 2.62Å; G239-A242 PolarHBondContact O-N 2.74Å; G239-I243 WeakPolarHBondContact O-CD1 3.49Å; G239-I243 VanDerWaalsContact O-CG1 3.27Å; G239-I243 WeakPolarHBondContact O-CG1 3.09Å; G239-I243 PolarHBondContact O-N 2.88Å; G239-I243 VanDerWaalsContact O-N 3.11Å
240A97.1Very high97.3Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-62.1-40.2171.100000112V185 S236 F237 I243 L244 W261 L265V185-A240 HydrophobicContact CG2-CB 4.19Å; S236-A240 PolarHBondContact O-N 3.32Å; F237-A240 WeakPolarHBondContact O-CB 3.34Å; F237-A240 PolarHBondContact O-N 3.25Å; A240-I243 PolarHBondContact O-N 2.82Å; A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 PolarHBondContact O-N 2.82Å; A240-W261 WeakPolarHBondContact CB-O 3.4Å; A240-L265 HydrophobicContact CB-CD1 4.21Å; A240-L265 HydrophobicContact CB-CD2 4.12Å; A240-L265 HydrophobicContact CB-CG 3.96Å
241T98.5Very high97.2Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-58.4-46.6173-58.10000111.7R188 V189 F237 G238 G239 I243 L244 A245R188-T241 HydrophobicContact CB-CG2 3.68Å; R188-T241 WeakPolarHBondContact CB-OG1 3.41Å; R188-T241 WeakPolarHBondContact CD-OG1 3.42Å; R188-T241 PolarHBondContact NH1-OG1 3.16Å; V189-T241 HydrophobicContact CG2-CG2 3.95Å; F237-T241 PolarHBondContact O-N 3.34Å; F237-T241 PolarHBondContact O-OG1 3.01Å; G238-T241 WeakPolarHBondContact O-CB 3.33Å; G238-T241 PolarHBondContact O-N 2.88Å; G239-T241 VanDerWaalsContact C-N 3.33Å; G239-T241 PolarHBondContact O-N 2.62Å; T241-I243 PolarHBondContact O-N 2.92Å; T241-L244 PolarHBondContact O-N 2.89Å; T241-A245 WeakPolarHBondContact O-CB 3.36Å; T241-A245 PolarHBondContact O-N 3.21Å
242A98.2Very high97.1Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-61.3-43.7-179.700000112.3V232 G238 G239 A245 L246 A255V232-A242 HydrophobicContact CB-CB 4.49Å; V232-A242 HydrophobicContact CG1-CB 4.11Å; V232-A242 VanDerWaalsContact CG1-O 3.25Å; V232-A242 WeakPolarHBondContact CG1-O 3.36Å; V232-A242 HydrophobicContact CG2-CB 3.9Å; G238-A242 WeakPolarHBondContact O-CB 3.31Å; G238-A242 PolarHBondContact O-N 3.22Å; G239-A242 PolarHBondContact O-N 2.74Å; A242-A245 PolarHBondContact O-N 2.77Å; A242-L246 WeakPolarHBondContact O-CB 3.44Å; A242-L246 PolarHBondContact O-N 3.27Å; A242-A255 HydrophobicContact CB-CB 4.36Å
243I96.3Very high97.1Very high4 Ų420.4 Ų20.42%0.02110%0.096CC..Hα-helixtrans-62.4-48.3177.4-64.7160.8000110.9G239 A240 T241 A245 L246 A247 A257 A260 M262 L265 V277 F279 I297G239-I243 WeakPolarHBondContact O-CD1 3.49Å; G239-I243 VanDerWaalsContact O-CG1 3.27Å; G239-I243 WeakPolarHBondContact O-CG1 3.09Å; G239-I243 PolarHBondContact O-N 2.88Å; G239-I243 VanDerWaalsContact O-N 3.11Å; A240-I243 PolarHBondContact O-N 2.82Å; T241-I243 PolarHBondContact O-N 2.92Å; I243-A245 VanDerWaalsContact C-N 3.35Å; I243-A245 PolarHBondContact O-N 3.43Å; I243-L246 PolarHBondContact O-N 2.65Å; I243-A247 PolarHBondContact O-N 3.43Å; I243-A257 HydrophobicContact CD1-CB 4.18Å; I243-A257 HydrophobicContact CG1-CB 4.33Å; I243-A260 HydrophobicContact CD1-CB 4.43Å; I243-M262 HydrophobicContact CD1-CE 3.86Å; I243-M262 HydrophobicContact CD1-SD 3.61Å; I243-L265 HydrophobicContact CB-CD1 4.37Å; I243-L265 HydrophobicContact CD1-CD1 4.48Å; I243-L265 HydrophobicContact CG2-CD1 4.1Å; I243-V277 HydrophobicContact CG1-CG1 4.04Å; I243-F279 HydrophobicContact CD1-CE1 3.42Å; I243-F279 VanDerWaalsContact CD1-CE1 3.42Å; I243-F279 HydrophobicContact CD1-CZ 3.79Å; I243-F279 HydrophobicContact CG1-CE1 4.33Å; I243-F279 HydrophobicContact CG1-CZ 4.4Å; I243-I297 HydrophobicContact CG2-CD1 3.88Å
244L96.2Very high97.1Very high7 Ų720.4 Ų20.44%0.03710%0.096CC..Hα-helixtrans-67.3-36.3180-176.159.6000112V185 V189 A240 T241 A247 K248 L265 P271V185-L244 HydrophobicContact CB-CD2 4.49Å; V185-L244 HydrophobicContact CG1-CD2 3.71Å; V185-L244 HydrophobicContact CG2-CD2 4.23Å; V189-L244 HydrophobicContact CG2-CB 3.81Å; V189-L244 HydrophobicContact CG2-CD2 3.86Å; V189-L244 HydrophobicContact CG2-CG 3.77Å; A240-L244 WeakPolarHBondContact O-CB 3.47Å; A240-L244 PolarHBondContact O-N 2.82Å; T241-L244 PolarHBondContact O-N 2.89Å; L244-A247 PolarHBondContact O-N 2.64Å; L244-K248 HydrophobicContact CD1-CD 4.18Å; L244-K248 HydrophobicContact CD1-CG 4.42Å; L244-K248 HydrophobicContact CG-CD 4.19Å; L244-K248 WeakPolarHBondContact O-CG 3.46Å; L244-K248 PolarHBondContact O-N 3.47Å; L244-K248 VanDerWaalsContact O-N 3.16Å; L244-L265 HydrophobicContact CB-CD2 3.96Å; L244-L265 HydrophobicContact CD2-CD2 4.34Å; L244-P271 HydrophobicContact CD1-CG 3.73Å
245A96.9Very high97.1Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-63.3-48.6175.600000111.4V189 V232 T241 A242 I243 A247 K248 E249 F252V189-A245 HydrophobicContact CG1-CB 4.09Å; V189-A245 HydrophobicContact CG2-CB 4.11Å; V232-A245 HydrophobicContact CG1-CB 4.31Å; V232-A245 HydrophobicContact CG2-CB 4.09Å; T241-A245 WeakPolarHBondContact O-CB 3.36Å; T241-A245 PolarHBondContact O-N 3.21Å; A242-A245 PolarHBondContact O-N 2.77Å; I243-A245 VanDerWaalsContact C-N 3.35Å; I243-A245 PolarHBondContact O-N 3.43Å; A245-A247 PolarHBondContact O-N 2.61Å; A245-K248 PolarHBondContact O-N 2.91Å; A245-E249 PolarHBondContact O-N 3.25Å; A245-F252 HydrophobicContact CB-CD2 4.13Å; A245-F252 HydrophobicContact CB-CE2 3.89Å
246L96.5Very high97.1Very high0 Ų020.1 Ų20.10%09%0.094CC..Hα-helixtrans-56.4-35.2176.2178.265.5000112.5V232 A242 I243 F252 A255 A273 V277V232-L246 HydrophobicContact CG1-CB 4.23Å; A242-L246 WeakPolarHBondContact O-CB 3.44Å; A242-L246 PolarHBondContact O-N 3.27Å; I243-L246 PolarHBondContact O-N 2.65Å; L246-F252 HydrophobicContact CD1-CB 3.88Å; L246-F252 WeakPolarHBondContact CD1-O 3.39Å; L246-A255 HydrophobicContact CB-CB 4.08Å; L246-A255 HydrophobicContact CD2-CB 3.71Å; L246-A255 HydrophobicContact CG-CB 4.43Å; L246-A273 HydrophobicContact CD2-CB 4.36Å; L246-V277 HydrophobicContact CD2-CG2 3.72Å
247A93.6Very high97.1Very high8 Ų819.7 Ų19.77%0.0669%0.091CC..Hα-helixtrans-79.5-23.6-179.500000113.3I243 L244 A245 P271I243-A247 PolarHBondContact O-N 3.43Å; L244-A247 PolarHBondContact O-N 2.64Å; A245-A247 PolarHBondContact O-N 2.61Å; A247-P271 HydrophobicContact CB-CB 3.41Å; A247-P271 VanDerWaalsContact CB-CB 3.41Å; A247-P271 HydrophobicContact CB-CG 3.43Å; A247-P271 VanDerWaalsContact CB-CG 3.43Å
248K93.7Very high97.1Very high86 Ų8619.7 Ų19.737%0.3749%0.091SC..Hα-helixtrans-94.1-32.9-178.2-75.6-178173.9176.40113.8H186 V189 L244 A245 R274H186-K248 PolarHBondContact CE1-NZ 3.33Å; H186-K248 VanDerWaalsContact CE1-NZ 3.32Å; H186-K248 PolarHBondContact ND1-NZ 3.36Å; V189-K248 HydrophobicContact CG1-CD 4.07Å; L244-K248 HydrophobicContact CD1-CD 4.18Å; L244-K248 HydrophobicContact CD1-CG 4.42Å; L244-K248 HydrophobicContact CG-CD 4.19Å; L244-K248 WeakPolarHBondContact O-CG 3.46Å; L244-K248 PolarHBondContact O-N 3.47Å; L244-K248 VanDerWaalsContact O-N 3.16Å; A245-K248 PolarHBondContact O-N 2.91Å; K248-R274 PolarHBondContact O-NH1 2.95Å
249E95.5Very high97Very high51 Ų5119.7 Ų19.724%0.2389%0.091CC..  trans-116.1126-174.2174.554.1-106.500111.1L193 L196 A245 Q251 F252L193-E249 HydrophobicContact CD2-CB 3.45Å; L193-E249 VanDerWaalsContact CD2-CB 3.45Å; L193-E249 HydrophobicContact CD2-CG 3.59Å; L196-E249 HydrophobicContact CD2-CG 4.07Å; A245-E249 PolarHBondContact O-N 3.25Å; E249-Q251 VanDerWaalsContact C-N 3.32Å; E249-Q251 HydrophobicContact CG-CB 4.12Å; E249-Q251 PolarHBondContact OE1-N 2.81Å; E249-F252 HydrophobicContact CB-CD2 3.72Å; E249-F252 HydrophobicContact CB-CE2 3.96Å; E249-F252 HydrophobicContact CG-CD2 3.84Å; E249-F252 HydrophobicContact CG-CE2 3.98Å
250I94.4Very high97Very high130 Ų13019.7 Ų19.767%0.6679%0.091SC*.THydrogen-bonded Turntrans-73.3-24-177.357170.9000113F252I250-F252 VanDerWaalsContact C-N 3.26Å; I250-F252 PolarHBondContact O-N 3.33Å
251Q96.3Very high97Very high34 Ų3421.7 Ų21.716%0.15910%0.099CC..THydrogen-bonded Turntrans-71.7-24.3-177-159.7-176.21.400112.4L196 Q200 M227 V230 E249 R253L196-Q251 HydrophobicContact CD2-CB 4.37Å; Q200-Q251 VanDerWaalsContact NE2-CD 3.32Å; M227-Q251 PolarHBondContact O-NE2 3.35Å; V230-Q251 HydrophobicContact CB-CG 4.49Å; V230-Q251 HydrophobicContact CG2-CG 4.04Å; E249-Q251 VanDerWaalsContact C-N 3.32Å; E249-Q251 HydrophobicContact CG-CB 4.12Å; E249-Q251 PolarHBondContact OE1-N 2.81Å; Q251-R253 PolarHBondContact O-N 3.28Å
252F97.9Very high96.8Very high5 Ų521.8 Ų21.82%0.02210%0.099CC..EExtended strand (participates in β ladder)trans-72.5116.6169.8-64.5-53000109.9I105 L193 L196 V230 V232 A245 L246 E249 I250I105-F252 HydrophobicContact CB-CE1 4.24Å; I105-F252 HydrophobicContact CB-CZ 4.43Å; I105-F252 HydrophobicContact CG1-CE1 3.83Å; I105-F252 HydrophobicContact CG1-CZ 4.11Å; L193-F252 HydrophobicContact CD2-CE2 3.7Å; L193-F252 HydrophobicContact CD2-CZ 4.33Å; L196-F252 HydrophobicContact CD2-CE1 4.1Å; L196-F252 HydrophobicContact CD2-CE2 4.3Å; L196-F252 HydrophobicContact CD2-CZ 3.82Å; V230-F252 HydrophobicContact CB-CD1 4.35Å; V230-F252 HydrophobicContact CG1-CD1 3.66Å; V230-F252 HydrophobicContact CG1-CE1 3.64Å; V230-F252 WeakPolarHBondContact O-CA 3.19Å; V232-F252 HydrophobicContact CB-CD1 3.76Å; V232-F252 HydrophobicContact CB-CD2 4.32Å; V232-F252 HydrophobicContact CB-CE1 3.84Å; V232-F252 HydrophobicContact CB-CE2 4.4Å; V232-F252 HydrophobicContact CB-CG 4.02Å; V232-F252 HydrophobicContact CB-CZ 4.18Å; V232-F252 HydrophobicContact CG1-CB 4.27Å; V232-F252 HydrophobicContact CG1-CD1 4.21Å; V232-F252 HydrophobicContact CG1-CD2 4.25Å; V232-F252 HydrophobicContact CG1-CG 4Å; V232-F252 HydrophobicContact CG2-CZ 4.45Å; A245-F252 HydrophobicContact CB-CD2 4.13Å; A245-F252 HydrophobicContact CB-CE2 3.89Å; L246-F252 HydrophobicContact CD1-CB 3.88Å; L246-F252 WeakPolarHBondContact CD1-O 3.39Å; E249-F252 HydrophobicContact CB-CD2 3.72Å; E249-F252 HydrophobicContact CB-CE2 3.96Å; E249-F252 HydrophobicContact CG-CD2 3.84Å; E249-F252 HydrophobicContact CG-CE2 3.98Å; I250-F252 VanDerWaalsContact C-N 3.26Å; I250-F252 PolarHBondContact O-N 3.33Å
253R97.9Very high96.6Very high89 Ų8924.5 Ų24.534%0.33611%0.111SC..EExtended strand (participates in β ladder)trans-84-28-179.2-68.2-169.361.6175-0.9113.4S228 V230 Q251 P276 H360 L361 D362S228-R253 WeakPolarHBondContact O-CD 3.47Å; V230-R253 PolarHBondContact O-N 3.47Å; Q251-R253 PolarHBondContact O-N 3.28Å; R253-P276 WeakPolarHBondContact O-CD 3.39Å; R253-H360 PolarHBondContact NE-O 2.95Å; R253-H360 PolarHBondContact NH2-O 3.3Å; R253-L361 HydrophobicContact CB-CD2 3.77Å; R253-L361 HydrophobicContact CG-CD2 4.36Å; R253-D362 IonicContact CZ-OD2 2.71Å; R253-D362 IonicContact NH1-OD2 3.15Å; R253-D362 PolarHBondContact NH1-OD2 2.87Å; R253-D362 IonicContact NH2-OD1 3.74Å; R253-D362 IonicContact NH2-OD2 3.29Å; R253-D362 PolarHBondContact NH2-OD2 2.77Å
254C98.4Very high96.5Very high0 Ų024.3 Ų24.30%011%0.11CC..EExtended strand (participates in β ladder)trans-156.7165.7177.563.90000111.2V232 P276 F356 H360V232-C254 PolarHBondContact N-O 3.05Å; C254-P276 WeakPolarHBondContact CA-O 3.5Å; C254-P276 HydrophobicContact CB-CG 3.93Å; C254-F356 HydrophobicContact CB-CE1 3.83Å; C254-F356 HydrophobicContact CB-CZ 4.27Å; C254-H360 HydrophobicContact CB-CB 3.74Å
255A98.5Very high96.2Very high0 Ų024.3 Ų24.30%011%0.11CC..EExtended strand (participates in β ladder)trans-126.5142.9173.300000112.9V232 A242 L246 P276 V277 F278V232-A255 HydrophobicContact CG1-CB 3.85Å; V232-A255 CarbonylContact O-C 2.98Å; V232-A255 WeakPolarHBondContact O-CA 3.36Å; A242-A255 HydrophobicContact CB-CB 4.36Å; L246-A255 HydrophobicContact CB-CB 4.08Å; L246-A255 HydrophobicContact CD2-CB 3.71Å; L246-A255 HydrophobicContact CG-CB 4.43Å; A255-P276 PolarHBondContact N-O 3.07Å; A255-V277 HydrophobicContact CB-CG1 4.46Å; A255-V277 HydrophobicContact CB-CG2 4.45Å; A255-V277 CarbonylContact O-C 3.52Å; A255-V277 WeakPolarHBondContact O-CA 3.45Å; A255-F278 PolarHBondContact O-N 3.17Å
256V98.9Very high95Very high0 Ų028 Ų280%013%0.127CC..EExtended strand (participates in β ladder)trans-115.1121.7167.1-175.40000109.5V232 M233 G234 L258 F278 I280 M353 F356 L357V232-V256 PolarHBondContact O-N 2.73Å; M233-V256 CarbonylContact C-O 3.55Å; M233-V256 VanDerWaalsContact CA-O 3.25Å; M233-V256 WeakPolarHBondContact CA-O 3.48Å; M233-V256 HydrophobicContact CB-CB 4.47Å; M233-V256 HydrophobicContact CE-CB 3.78Å; M233-V256 HydrophobicContact CE-CG1 3.94Å; M233-V256 HydrophobicContact CE-CG2 4.13Å; M233-V256 HydrophobicContact CG-CB 3.87Å; M233-V256 HydrophobicContact CG-CG2 4.21Å; M233-V256 HydrophobicContact SD-CB 4.39Å; M233-V256 HydrophobicContact SD-CG2 4.41Å; G234-V256 PolarHBondContact N-O 3.19Å; G234-V256 VanDerWaalsContact N-O 3.08Å; V256-L258 HydrophobicContact CG1-CD2 3.84Å; V256-F278 CarbonylContact C-O 3.54Å; V256-F278 WeakPolarHBondContact CA-O 3.38Å; V256-F278 HydrophobicContact CG1-CD1 4.41Å; V256-F278 HydrophobicContact CG2-CB 4.43Å; V256-I280 HydrophobicContact CG1-CD1 3.96Å; V256-I280 HydrophobicContact CG1-CG1 4.4Å; V256-M353 HydrophobicContact CG1-CG 4Å; V256-M353 HydrophobicContact CG1-SD 4.5Å; V256-F356 HydrophobicContact CG2-CD1 3.86Å; V256-F356 HydrophobicContact CG2-CE1 4.19Å; V256-L357 HydrophobicContact CG2-CD2 4.42Å
257A98.5Very high93.6Very high0 Ų035 Ų350%015%0.154CC..EExtended strand (participates in β ladder)trans-112.4100.3-174.600000109.5I243 D259 A260 V277 F278 F279 I280I243-A257 HydrophobicContact CD1-CB 4.18Å; I243-A257 HydrophobicContact CG1-CB 4.33Å; A257-D259 PolarHBondContact O-N 3.3Å; A257-A260 HydrophobicContact CB-CB 4.04Å; A257-V277 HydrophobicContact CB-CG1 4.3Å; A257-F278 PolarHBondContact N-O 3.48Å; A257-F279 HydrophobicContact CB-CD1 3.72Å; A257-F279 HydrophobicContact CB-CE1 3.99Å; A257-F279 HydrophobicContact CB-CG 4.45Å; A257-F279 WeakPolarHBondContact O-CA 3.48Å; A257-I280 PolarHBondContact O-N 3.15Å
258L98.8Very high91.7Very high0 Ų042.4 Ų42.40%019%0.192CC..EExtended strand (participates in β ladder)trans-81.3108179.3-53.1-177.3000109F106 F120 G234 H235 S236 V256 A260 I280 Q317 M353F106-L258 HydrophobicContact CE2-CD1 3.96Å; F106-L258 HydrophobicContact CZ-CD1 3.96Å; F120-L258 HydrophobicContact CD2-CD1 4.43Å; F120-L258 HydrophobicContact CE2-CD1 4.29Å; G234-L258 PolarHBondContact O-N 3.04Å; H235-L258 CarbonylContact C-O 3.6Å; H235-L258 VanDerWaalsContact CA-O 3.26Å; H235-L258 WeakPolarHBondContact CA-O 3.3Å; H235-L258 HydrophobicContact CB-CB 4.1Å; H235-L258 PolarHBondContact CD2-O 3.45Å; S236-L258 PolarHBondContact N-O 2.89Å; V256-L258 HydrophobicContact CG1-CD2 3.84Å; L258-A260 VanDerWaalsContact C-N 3.29Å; L258-A260 PolarHBondContact O-N 2.8Å; L258-I280 HydrophobicContact CD2-CB 3.97Å; L258-I280 HydrophobicContact CD2-CD1 3.91Å; L258-I280 HydrophobicContact CD2-CG1 4.29Å; L258-Q317 VanDerWaalsContact CB-OE1 3.29Å; L258-M353 HydrophobicContact CD1-CE 3.92Å; L258-M353 HydrophobicContact CD2-CE 3.34Å; L258-M353 HydrophobicContact CD2-SD 4.12Å; L258-M353 HydrophobicContact CG-CE 4.27Å
259D97.4Very high89.9Confident0 Ų045.2 Ų45.20%021%0.205CC..SBendtrans4652.4176.4-154.533.4000112.7S236 A257 W261 I280 T282 F285 Q286 H314S236-D259 WeakPolarHBondContact CA-O 3.34Å; A257-D259 PolarHBondContact O-N 3.3Å; D259-W261 PolarHBondContact O-N 3.1Å; D259-I280 PolarHBondContact N-O 2.86Å; D259-T282 HydrophobicContact CB-CG2 4.01Å; D259-T282 VanDerWaalsContact CG-OG1 3.28Å; D259-T282 PolarHBondContact OD1-N 3.11Å; D259-T282 PolarHBondContact OD1-OG1 2.74Å; D259-T282 WeakPolarHBondContact OD2-CB 3.27Å; D259-T282 WeakPolarHBondContact OD2-CG2 3.21Å; D259-T282 PolarHBondContact OD2-OG1 3.45Å; D259-F285 HydrophobicContact CB-CD1 4.38Å; D259-F285 VanDerWaalsContact O-CE1 3.31Å; D259-F285 WeakPolarHBondContact O-CE1 3.46Å; D259-F285 WeakPolarHBondContact OD1-CD1 3.42Å; D259-F285 WeakPolarHBondContact OD2-CB 3.14Å; D259-F285 VanDerWaalsContact OD2-CD1 3.22Å; D259-F285 WeakPolarHBondContact OD2-CD1 3.48Å; D259-F285 VanDerWaalsContact OD2-CG 3.25Å; D259-F285 WeakPolarHBondContact OD2-CG 3.45Å; D259-Q286 PolarHBondContact OD1-NE2 2.97Å; D259-H314 IonicContact OD2-CE1 3.83Å; D259-H314 IonicContact OD2-CG 3.88Å; D259-H314 IonicContact OD2-ND1 2.81Å; D259-H314 PolarHBondContact OD2-ND1 3.41Å
260A97.3Very high88.2Confident0 Ų044.8 Ų44.80%020%0.201CC..  trans-62.1133.8-167.400000112.5I243 A257 L258 M262 F279 Q286 M294I243-A260 HydrophobicContact CD1-CB 4.43Å; A257-A260 HydrophobicContact CB-CB 4.04Å; L258-A260 VanDerWaalsContact C-N 3.29Å; L258-A260 PolarHBondContact O-N 2.8Å; A260-M262 HydrophobicContact CB-SD 3.84Å; A260-M262 PolarHBondContact O-N 3.11Å; A260-F279 HydrophobicContact CB-CD1 4.5Å; A260-Q286 PolarHBondContact O-NE2 3.46Å; A260-M294 HydrophobicContact CB-CE 4.15Å; A260-M294 WeakPolarHBondContact O-CE 3.28Å
261W96.8Very high86.5Confident42 Ų4240 Ų4016%0.15918%0.179CC..  trans-86.497.9169.4178.943.5000108.5L110 E177 R181 S236 F237 A240 D259 F263 P264 F285L110-W261 HydrophobicContact CD2-CH2 4.42Å; L110-W261 HydrophobicContact CD2-CZ3 4.16Å; E177-W261 WeakPolarHBondContact OE1-CH2 3.29Å; R181-W261 HydrophobicContact CB-CH2 4.41Å; R181-W261 HydrophobicContact CG-CH2 3.61Å; R181-W261 HydrophobicContact CG-CZ2 4.48Å; R181-W261 HydrophobicContact CG-CZ3 4.15Å; S236-W261 PolarHBondContact O-N 3.43Å; F237-W261 HydrophobicContact CB-CE3 4.11Å; F237-W261 HydrophobicContact CD1-CZ3 4.22Å; F237-W261 HydrophobicContact CD2-CE3 4.18Å; F237-W261 HydrophobicContact CD2-CZ3 4.37Å; F237-W261 HydrophobicContact CE1-CZ3 4.44Å; F237-W261 HydrophobicContact CG-CE3 4.05Å; F237-W261 HydrophobicContact CG-CZ3 4.17Å; A240-W261 WeakPolarHBondContact CB-O 3.4Å; D259-W261 PolarHBondContact O-N 3.1Å; W261-F263 VanDerWaalsContact C-N 3.29Å; W261-F263 HydrophobicContact CD2-CB 4.33Å; W261-F263 HydrophobicContact CG-CB 4.46Å; W261-F263 HydrophobicContact CH2-CD1 4.32Å; W261-F263 HydrophobicContact CZ2-CB 4.06Å; W261-F263 AromaticContact CZ2-CD1 3.67Å; W261-F263 HydrophobicContact CZ2-CD1 3.67Å; W261-F263 HydrophobicContact CZ2-CE1 4.49Å; W261-F263 HydrophobicContact CZ2-CG 4.1Å; W261-F263 VanDerWaalsContact NE1-CB 3.26Å; W261-F263 PolarHBondContact O-N 2.73Å; W261-P264 HydrophobicContact CD2-CG 3.99Å; W261-P264 HydrophobicContact CE3-CG 3.59Å; W261-P264 HydrophobicContact CH2-CG 4.28Å; W261-P264 HydrophobicContact CZ3-CG 3.75Å; W261-P264 WeakPolarHBondContact O-CD 3.21Å; W261-F285 HydrophobicContact CB-CE1 4.39Å; W261-F285 HydrophobicContact CB-CZ 4.22Å
262M94.2Very high85Confident1 Ų146.5 Ų46.51%0.00521%0.206CC..  trans-76.2-14.3-170-62.3-60-69.400114.2I243 A260 L265 F279 L293 M294 I297I243-M262 HydrophobicContact CD1-CE 3.86Å; I243-M262 HydrophobicContact CD1-SD 3.61Å; A260-M262 HydrophobicContact CB-SD 3.84Å; A260-M262 PolarHBondContact O-N 3.11Å; M262-L265 HydrophobicContact CE-CD1 3.79Å; M262-L265 PolarHBondContact O-N 3.42Å; M262-L265 HydrophobicContact SD-CD1 4.43Å; M262-F279 HydrophobicContact CE-CE1 4.38Å; M262-F279 HydrophobicContact SD-CE1 4Å; M262-L293 HydrophobicContact CB-CB 4.34Å; M262-L293 HydrophobicContact CB-CD1 4.06Å; M262-L293 HydrophobicContact CE-CB 4.01Å; M262-L293 HydrophobicContact CG-CB 4.49Å; M262-M294 HydrophobicContact CG-CE 3.77Å; M262-M294 HydrophobicContact CG-CG 4.08Å; M262-M294 HydrophobicContact SD-CE 4.25Å; M262-M294 HydrophobicContact SD-CG 4.23Å; M262-I297 HydrophobicContact CE-CD1 3.44Å; M262-I297 VanDerWaalsContact CE-CD1 3.44Å
263F94.1Very high83.4Confident58 Ų5846.9 Ų46.925%0.25421%0.211SC..THydrogen-bonded Turntrans-52.2-39-176177.5-89.7000115.8E177 F178 R181 W261 L265E177-F263 HydrophobicContact CB-CE1 4.16Å; E177-F263 HydrophobicContact CB-CZ 4.23Å; E177-F263 HydrophobicContact CG-CE1 3.77Å; E177-F263 HydrophobicContact CG-CZ 4.29Å; F178-F263 HydrophobicContact CB-CE1 4.05Å; F178-F263 HydrophobicContact CB-CZ 3.9Å; F178-F263 HydrophobicContact CD2-CE1 4.3Å; F178-F263 HydrophobicContact CD2-CZ 4.47Å; R181-F263 HydrophobicContact CG-CE1 4.41Å; W261-F263 VanDerWaalsContact C-N 3.29Å; W261-F263 HydrophobicContact CD2-CB 4.33Å; W261-F263 HydrophobicContact CG-CB 4.46Å; W261-F263 HydrophobicContact CH2-CD1 4.32Å; W261-F263 HydrophobicContact CZ2-CB 4.06Å; W261-F263 AromaticContact CZ2-CD1 3.67Å; W261-F263 HydrophobicContact CZ2-CD1 3.67Å; W261-F263 HydrophobicContact CZ2-CE1 4.49Å; W261-F263 HydrophobicContact CZ2-CG 4.1Å; W261-F263 VanDerWaalsContact NE1-CB 3.26Å; W261-F263 PolarHBondContact O-N 2.73Å; F263-L265 PolarHBondContact O-N 3.26Å
264P93.8Very high82.4Confident0 Ų049.9 Ų49.90%022%0.222CC..THydrogen-bonded Turntrans-70.3-12.5-177.5-22.437.4000114.8R181 N182 V185 F237 W261R181-P264 HydrophobicContact CB-CB 3.93Å; R181-P264 HydrophobicContact CB-CG 4.04Å; N182-P264 PolarHBondContact ND2-O 3.19Å; N182-P264 VanDerWaalsContact ND2-O 3.16Å; V185-P264 HydrophobicContact CB-CB 4.15Å; V185-P264 HydrophobicContact CG1-CB 4.29Å; F237-P264 HydrophobicContact CD2-CB 4.16Å; F237-P264 HydrophobicContact CD2-CG 3.65Å; F237-P264 HydrophobicContact CE2-CB 3.46Å; F237-P264 VanDerWaalsContact CE2-CB 3.46Å; F237-P264 HydrophobicContact CE2-CG 3.36Å; F237-P264 HydrophobicContact CZ-CB 4.25Å; F237-P264 HydrophobicContact CZ-CG 4.18Å; W261-P264 HydrophobicContact CD2-CG 3.99Å; W261-P264 HydrophobicContact CE3-CG 3.59Å; W261-P264 HydrophobicContact CH2-CG 4.28Å; W261-P264 HydrophobicContact CZ3-CG 3.75Å; W261-P264 WeakPolarHBondContact O-CD 3.21Å
265L89.9Confident82.1Confident6 Ų650.1 Ų50.13%0.03123%0.225CC..SBendtrans-83.3139.8177.3-57.5179.1000110.1V185 A240 I243 L244 M262 F263 R267V185-L265 HydrophobicContact CG1-CD2 4.31Å; V185-L265 HydrophobicContact CG2-CD2 4.36Å; A240-L265 HydrophobicContact CB-CD1 4.21Å; A240-L265 HydrophobicContact CB-CD2 4.12Å; A240-L265 HydrophobicContact CB-CG 3.96Å; I243-L265 HydrophobicContact CB-CD1 4.37Å; I243-L265 HydrophobicContact CD1-CD1 4.48Å; I243-L265 HydrophobicContact CG2-CD1 4.1Å; L244-L265 HydrophobicContact CB-CD2 3.96Å; L244-L265 HydrophobicContact CD2-CD2 4.34Å; M262-L265 HydrophobicContact CE-CD1 3.79Å; M262-L265 PolarHBondContact O-N 3.42Å; M262-L265 HydrophobicContact SD-CD1 4.43Å; F263-L265 PolarHBondContact O-N 3.26Å; L265-R267 PolarHBondContact O-N 3.19Å
266E73.4Confident82Confident77 Ų7750.4 Ų50.436%0.3623%0.227SC..  trans-59.2133.9179.7-73.5175.8-156.600111.7F178 D268 F269 Y270F178-E266 HydrophobicContact CZ-CB 4.46Å; F178-E266 HydrophobicContact CZ-CG 3.88Å; E266-D268 PolarHBondContact O-N 3.22Å; E266-F269 HydrophobicContact CB-CB 4.42Å; E266-Y270 WeakPolarHBondContact O-CE1 2.84Å
267R66.4Low82Confident149 Ų14950.4 Ų50.456%0.56223%0.227SC*.SBendtrans-69.5-23-173-71.8-175.2-179.7-172.8-1.2114.1L265 Y270L265-R267 PolarHBondContact O-N 3.19Å; R267-Y270 VanDerWaalsContact C-OH 3.28Å; R267-Y270 WeakPolarHBondContact CA-OH 3.3Å; R267-Y270 WeakPolarHBondContact O-CE2 3.27Å; R267-Y270 PolarHBondContact O-OH 3.44Å
268D54.7Low82Confident163 Ų16350.4 Ų50.487%0.87223%0.227SC*.SBendtrans-120-8.6-168.4-57.2-38.8000113.4E266E266-D268 PolarHBondContact O-N 3.22Å
269F54.3Low82Confident145 Ų14550.4 Ų50.464%0.63623%0.227SC*.  trans-129.172176.4-166.4-98.3000109.3E266 P271E266-F269 HydrophobicContact CB-CB 4.42Å; F269-P271 VanDerWaalsContact O-CD 3.3Å; F269-P271 WeakPolarHBondContact O-CD 3.21Å
270Y60.6Low82Confident41 Ų4150.4 Ų50.416%0.16123%0.227CC..  trans-72.2118.4167.6-58.5-68.8000107.3E266 R267 K272 L293 K296E266-Y270 WeakPolarHBondContact O-CE1 2.84Å; R267-Y270 VanDerWaalsContact C-OH 3.28Å; R267-Y270 WeakPolarHBondContact CA-OH 3.3Å; R267-Y270 WeakPolarHBondContact O-CE2 3.27Å; R267-Y270 PolarHBondContact O-OH 3.44Å; Y270-K272 PolarHBondContact O-N 2.96Å; Y270-K272 VanDerWaalsContact O-N 3.13Å; Y270-L293 HydrophobicContact CE1-CD1 3.93Å; Y270-L293 HydrophobicContact CE1-CD2 4.15Å; Y270-L293 HydrophobicContact CE1-CG 4.38Å; Y270-L293 HydrophobicContact CE2-CD2 4.18Å; Y270-L293 VanDerWaalsContact CZ-CD2 3.5Å; Y270-L293 WeakPolarHBondContact OH-CD1 3.36Å; Y270-L293 WeakPolarHBondContact OH-CD2 3.31Å; Y270-K296 HydrophobicContact CE2-CD 4.43Å
271P57.5Low82.1Confident30 Ų3050.4 Ų50.420%0.19523%0.227CC..  trans-63.8125.3173.434.3-37.5000105.4L244 A247 F269 A273L244-P271 HydrophobicContact CD1-CG 3.73Å; A247-P271 HydrophobicContact CB-CB 3.41Å; A247-P271 VanDerWaalsContact CB-CB 3.41Å; A247-P271 HydrophobicContact CB-CG 3.43Å; A247-P271 VanDerWaalsContact CB-CG 3.43Å; F269-P271 VanDerWaalsContact O-CD 3.3Å; F269-P271 WeakPolarHBondContact O-CD 3.21Å; P271-A273 PolarHBondContact O-N 3.38Å
272K66.3Low82Confident171 Ų17148.4 Ų48.474%0.74322%0.219SC*.  trans-53.8109.9177-71-179-179.3179.70106.7Y270 R274Y270-K272 PolarHBondContact O-N 2.96Å; Y270-K272 VanDerWaalsContact O-N 3.13Å; K272-R274 PolarHBondContact O-N 3.26Å; K272-R274 VanDerWaalsContact O-N 3.11Å
273A63Low82Confident13 Ų1351 Ų5111%0.10723%0.231CC..  trans-56.6123.5178.500000106.5L246 P271 G275 V277 I297L246-A273 HydrophobicContact CD2-CB 4.36Å; P271-A273 PolarHBondContact O-N 3.38Å; A273-G275 PolarHBondContact O-N 2.69Å; A273-V277 HydrophobicContact CB-CG2 4.09Å; A273-I297 HydrophobicContact CB-CG2 4.41Å
274R78.4Confident81.8Confident151 Ų15154.5 Ų54.557%0.5725%0.246SC*.SBendtrans-75-14.9-174.9-70.3-178.9172.3161.4-0.6112.5K248 K272K248-R274 PolarHBondContact O-NH1 2.95Å; K272-R274 PolarHBondContact O-N 3.26Å; K272-R274 VanDerWaalsContact O-N 3.11Å
275G91.7Very high81.7Confident6 Ų657.5 Ų57.56%0.06226%0.259CS..SBendtrans-143.2-175.9177.800000111.9A273A273-G275 PolarHBondContact O-N 2.69Å
276P96.6Very high81.9Confident6 Ų657.7 Ų57.74%0.03926%0.26CS..  trans-71.4144.5-177.727.6-32000112.2R253 C254 A255 Q303 F356 H360R253-P276 WeakPolarHBondContact O-CD 3.39Å; C254-P276 WeakPolarHBondContact CA-O 3.5Å; C254-P276 HydrophobicContact CB-CG 3.93Å; A255-P276 PolarHBondContact N-O 3.07Å; P276-Q303 HydrophobicContact CB-CB 4.07Å; P276-F356 HydrophobicContact CB-CE2 4.23Å; P276-F356 HydrophobicContact CB-CZ 3.85Å; P276-F356 HydrophobicContact CG-CZ 4.15Å; P276-H360 HydrophobicContact CG-CB 4.23Å; P276-H360 WeakPolarHBondContact CG-ND1 3.47Å
277V97.7Very high82.8Confident0 Ų056.9 Ų56.90%026%0.26CS..EExtended strand (participates in β ladder)trans-117.3130174.4-174.50000109.4I243 L246 A255 A257 A273 F279 I297 S304 R305I243-V277 HydrophobicContact CG1-CG1 4.04Å; L246-V277 HydrophobicContact CD2-CG2 3.72Å; A255-V277 HydrophobicContact CB-CG1 4.46Å; A255-V277 HydrophobicContact CB-CG2 4.45Å; A255-V277 CarbonylContact O-C 3.52Å; A255-V277 WeakPolarHBondContact O-CA 3.45Å; A257-V277 HydrophobicContact CB-CG1 4.3Å; A273-V277 HydrophobicContact CB-CG2 4.09Å; V277-F279 HydrophobicContact CB-CD2 4.46Å; V277-F279 HydrophobicContact CB-CE2 3.87Å; V277-F279 HydrophobicContact CB-CZ 4.29Å; V277-F279 HydrophobicContact CG1-CD1 4.47Å; V277-F279 HydrophobicContact CG1-CD2 3.9Å; V277-F279 HydrophobicContact CG1-CE1 4.06Å; V277-F279 HydrophobicContact CG1-CE2 3.42Å; V277-F279 VanDerWaalsContact CG1-CE2 3.42Å; V277-F279 HydrophobicContact CG1-CG 4.4Å; V277-F279 HydrophobicContact CG1-CZ 3.52Å; V277-I297 HydrophobicContact CB-CG2 4.26Å; V277-I297 HydrophobicContact CG2-CG2 3.94Å; V277-S304 PolarHBondContact N-OG 2.95Å; V277-S304 CarbonylContact O-C 3.39Å; V277-S304 WeakPolarHBondContact O-CA 3.44Å; V277-S304 VanDerWaalsContact O-CB 3.3Å; V277-S304 WeakPolarHBondContact O-CB 3.27Å; V277-R305 PolarHBondContact O-N 3.37Å
278F98.7Very high84Confident0 Ų051.6 Ų51.60%024%0.243CC..EExtended strand (participates in β ladder)trans-107110.6172.3-170.5-156.4000111.2A255 V256 A257 I280 R305 I307 A352 F356 I374A255-F278 PolarHBondContact O-N 3.17Å; V256-F278 CarbonylContact C-O 3.54Å; V256-F278 WeakPolarHBondContact CA-O 3.38Å; V256-F278 HydrophobicContact CG1-CD1 4.41Å; V256-F278 HydrophobicContact CG2-CB 4.43Å; A257-F278 PolarHBondContact N-O 3.48Å; F278-I280 HydrophobicContact CD1-CD1 3.83Å; F278-I280 HydrophobicContact CD1-CG1 3.92Å; F278-I280 HydrophobicContact CD2-CG1 4.35Å; F278-I280 HydrophobicContact CE1-CD1 3.55Å; F278-I280 HydrophobicContact CE1-CG1 3.75Å; F278-I280 HydrophobicContact CE2-CG1 4.22Å; F278-I280 HydrophobicContact CG-CG1 4.22Å; F278-I280 HydrophobicContact CZ-CD1 4.14Å; F278-I280 HydrophobicContact CZ-CG1 3.92Å; F278-R305 HydrophobicContact CD2-CB 3.65Å; F278-R305 HydrophobicContact CE2-CB 3.91Å; F278-I307 HydrophobicContact CE2-CB 4.47Å; F278-I307 HydrophobicContact CE2-CD1 3.98Å; F278-I307 HydrophobicContact CE2-CG1 3.76Å; F278-I307 HydrophobicContact CE2-CG2 4.02Å; F278-I307 HydrophobicContact CZ-CD1 3.54Å; F278-I307 HydrophobicContact CZ-CG1 3.87Å; F278-I307 HydrophobicContact CZ-CG2 4.47Å; F278-A352 HydrophobicContact CE1-CB 3.87Å; F278-A352 WeakPolarHBondContact CE1-O 3.22Å; F278-A352 HydrophobicContact CZ-CB 3.98Å; F278-F356 HydrophobicContact CB-CD1 3.66Å; F278-F356 HydrophobicContact CB-CD2 3.7Å; F278-F356 HydrophobicContact CB-CE1 3.59Å; F278-F356 HydrophobicContact CB-CE2 3.64Å; F278-F356 HydrophobicContact CB-CG 3.71Å; F278-F356 HydrophobicContact CB-CZ 3.58Å; F278-F356 HydrophobicContact CD1-CB 3.6Å; F278-F356 HydrophobicContact CD1-CD1 4.11Å; F278-F356 HydrophobicContact CD1-CD2 4.07Å; F278-F356 AromaticContact CD1-CG 3.66Å; F278-F356 HydrophobicContact CD1-CG 3.66Å; F278-F356 HydrophobicContact CE1-CB 4.03Å; F278-F356 HydrophobicContact CE1-CG 4.5Å; F278-F356 HydrophobicContact CG-CB 4.31Å; F278-F356 HydrophobicContact CG-CD1 4.29Å; F278-F356 AromaticContact CG-CD2 3.9Å; F278-F356 HydrophobicContact CG-CD2 3.9Å; F278-F356 HydrophobicContact CG-CE2 4.28Å; F278-F356 AromaticContact CG-CG 3.9Å; F278-F356 HydrophobicContact CG-CG 3.9Å; F278-I374 HydrophobicContact CE2-CG2 4.36Å; F278-I374 HydrophobicContact CZ-CG2 4.45Å
279F98.5Very high85.7Confident0 Ų049.5 Ų49.50%023%0.227CC..EExtended strand (participates in β ladder)trans-90.4122174.8-62.6-87.8000110I243 A257 A260 M262 V277 M294 I297 R305 I306 I307I243-F279 HydrophobicContact CD1-CE1 3.42Å; I243-F279 VanDerWaalsContact CD1-CE1 3.42Å; I243-F279 HydrophobicContact CD1-CZ 3.79Å; I243-F279 HydrophobicContact CG1-CE1 4.33Å; I243-F279 HydrophobicContact CG1-CZ 4.4Å; A257-F279 HydrophobicContact CB-CD1 3.72Å; A257-F279 HydrophobicContact CB-CE1 3.99Å; A257-F279 HydrophobicContact CB-CG 4.45Å; A257-F279 WeakPolarHBondContact O-CA 3.48Å; A260-F279 HydrophobicContact CB-CD1 4.5Å; M262-F279 HydrophobicContact CE-CE1 4.38Å; M262-F279 HydrophobicContact SD-CE1 4Å; V277-F279 HydrophobicContact CB-CD2 4.46Å; V277-F279 HydrophobicContact CB-CE2 3.87Å; V277-F279 HydrophobicContact CB-CZ 4.29Å; V277-F279 HydrophobicContact CG1-CD1 4.47Å; V277-F279 HydrophobicContact CG1-CD2 3.9Å; V277-F279 HydrophobicContact CG1-CE1 4.06Å; V277-F279 HydrophobicContact CG1-CE2 3.42Å; V277-F279 VanDerWaalsContact CG1-CE2 3.42Å; V277-F279 HydrophobicContact CG1-CG 4.4Å; V277-F279 HydrophobicContact CG1-CZ 3.52Å; F279-M294 HydrophobicContact CB-SD 4.31Å; F279-M294 HydrophobicContact CD1-CB 4.2Å; F279-M294 HydrophobicContact CD1-CE 4.04Å; F279-M294 HydrophobicContact CD1-CG 3.59Å; F279-M294 HydrophobicContact CD1-SD 3.76Å; F279-M294 HydrophobicContact CD2-CB 4.21Å; F279-M294 HydrophobicContact CD2-CG 4.48Å; F279-M294 HydrophobicContact CE1-CB 4.1Å; F279-M294 HydrophobicContact CE1-CE 4.44Å; F279-M294 HydrophobicContact CE1-CG 3.52Å; F279-M294 HydrophobicContact CE1-SD 4.29Å; F279-M294 HydrophobicContact CE2-CB 4.12Å; F279-M294 HydrophobicContact CE2-CG 4.43Å; F279-M294 HydrophobicContact CG-CB 4.24Å; F279-M294 HydrophobicContact CG-CG 4.08Å; F279-M294 HydrophobicContact CG-SD 4.12Å; F279-M294 HydrophobicContact CZ-CB 4.06Å; F279-M294 HydrophobicContact CZ-CG 3.97Å; F279-I297 HydrophobicContact CE2-CB 4.37Å; F279-I297 HydrophobicContact CE2-CG2 4.1Å; F279-I297 HydrophobicContact CZ-CB 4.3Å; F279-I297 HydrophobicContact CZ-CD1 4.01Å; F279-I297 HydrophobicContact CZ-CG2 4.14Å; F279-R305 PolarHBondContact N-O 3.35Å; F279-I306 HydrophobicContact CB-CB 4.31Å; F279-I306 HydrophobicContact CB-CG1 4.12Å; F279-I306 HydrophobicContact CB-CG2 4.09Å; F279-I306 HydrophobicContact CD2-CG1 3.92Å; F279-I306 HydrophobicContact CG-CG1 4.34Å; F279-I306 WeakPolarHBondContact O-CA 3.25Å; F279-I307 PolarHBondContact O-N 2.9Å
280I98.6Very high87.5Confident0 Ų043.1 Ų43.10%020%0.201CC..EExtended strand (participates in β ladder)trans-116.694.2175-52.5179000107.7V256 A257 L258 D259 F278 I307 V309 Q317 M349 M353V256-I280 HydrophobicContact CG1-CD1 3.96Å; V256-I280 HydrophobicContact CG1-CG1 4.4Å; A257-I280 PolarHBondContact O-N 3.15Å; L258-I280 HydrophobicContact CD2-CB 3.97Å; L258-I280 HydrophobicContact CD2-CD1 3.91Å; L258-I280 HydrophobicContact CD2-CG1 4.29Å; D259-I280 PolarHBondContact N-O 2.86Å; F278-I280 HydrophobicContact CD1-CD1 3.83Å; F278-I280 HydrophobicContact CD1-CG1 3.92Å; F278-I280 HydrophobicContact CD2-CG1 4.35Å; F278-I280 HydrophobicContact CE1-CD1 3.55Å; F278-I280 HydrophobicContact CE1-CG1 3.75Å; F278-I280 HydrophobicContact CE2-CG1 4.22Å; F278-I280 HydrophobicContact CG-CG1 4.22Å; F278-I280 HydrophobicContact CZ-CD1 4.14Å; F278-I280 HydrophobicContact CZ-CG1 3.92Å; I280-I307 HydrophobicContact CB-CG1 4.32Å; I280-I307 HydrophobicContact CG1-CD1 4.16Å; I280-I307 HydrophobicContact CG1-CG1 4.12Å; I280-I307 HydrophobicContact CG2-CD1 4.08Å; I280-I307 HydrophobicContact CG2-CG1 4.15Å; I280-V309 HydrophobicContact CG2-CG2 3.85Å; I280-Q317 PolarHBondContact O-NE2 3.4Å; I280-M349 HydrophobicContact CG2-CG 3.9Å; I280-M349 HydrophobicContact CG2-SD 4.15Å; I280-M353 HydrophobicContact CD1-CE 4.12Å; I280-M353 HydrophobicContact CD1-CG 3.57Å
281N98.1Very high89Confident0 Ų041.2 Ų41.20%019%0.193CC..EExtended strand (participates in β ladder)trans-86154.5-174.7-67-25.1000112Q286 I307 T308 V309N281-Q286 HydrophobicContact CB-CG 3.82Å; N281-Q286 PolarHBondContact OD1-NE2 3.3Å; N281-I307 PolarHBondContact N-O 3.08Å; N281-T308 WeakPolarHBondContact O-CA 3.38Å; N281-V309 PolarHBondContact O-N 3.48Å
282T96.1Very high90.6Very high0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-91.9157.4164.573.80000110.2D259 K284 F285 S312 V313 H314 Q317D259-T282 HydrophobicContact CB-CG2 4.01Å; D259-T282 VanDerWaalsContact CG-OG1 3.28Å; D259-T282 PolarHBondContact OD1-N 3.11Å; D259-T282 PolarHBondContact OD1-OG1 2.74Å; D259-T282 WeakPolarHBondContact OD2-CB 3.27Å; D259-T282 WeakPolarHBondContact OD2-CG2 3.21Å; D259-T282 PolarHBondContact OD2-OG1 3.45Å; T282-K284 VanDerWaalsContact C-N 3.29Å; T282-K284 PolarHBondContact O-N 3.44Å; T282-F285 WeakPolarHBondContact OG1-CB 3.41Å; T282-S312 WeakPolarHBondContact CA-OG 3.37Å; T282-S312 WeakPolarHBondContact CB-OG 3.29Å; T282-V313 WeakPolarHBondContact CG2-O 3.14Å; T282-H314 PolarHBondContact OG1-N 2.74Å; T282-Q317 HydrophobicContact CG2-CG 3.97Å
283E94.1Very high91.8Very high56 Ų5635.8 Ų35.826%0.26217%0.171SC..THydrogen-bonded Turntrans-64.9-32.8-173.9-174.2178.9-15700112.8T308 V309 G311 S312 H388E283-T308 HydrophobicContact CB-CG2 4.45Å; E283-V309 PolarHBondContact N-O 3.32Å; E283-G311 VanDerWaalsContact OE2-CA 3.29Å; E283-G311 WeakPolarHBondContact OE2-CA 3.49Å; E283-G311 PolarHBondContact OE2-N 3.48Å; E283-S312 PolarHBondContact N-O 3.11Å; E283-S312 PolarHBondContact N-OG 3.4Å; E283-H388 PolarHBondContact O-CE1 2.66Å; E283-H388 VanDerWaalsContact O-CE1 3.3Å
284K88.8Confident93.2Very high131 Ų13135.2 Ų35.257%0.5717%0.166SC*.THydrogen-bonded Turntrans-112.62.3-164.5-57.9-171.5-172.3169.10115.9T282 V313T282-K284 VanDerWaalsContact C-N 3.29Å; T282-K284 PolarHBondContact O-N 3.44Å; K284-V313 HydrophobicContact CB-CG1 4.37Å; K284-V313 HydrophobicContact CD-CG1 3.94Å; K284-V313 HydrophobicContact CG-CG1 4.44Å
285F92.5Very high93.9Very high62 Ų6232.4 Ų32.427%0.27216%0.158SC..THydrogen-bonded Turntrans-100-36.5-175178.3-108.8000114.3D259 W261 T282 H314D259-F285 HydrophobicContact CB-CD1 4.38Å; D259-F285 VanDerWaalsContact O-CE1 3.31Å; D259-F285 WeakPolarHBondContact O-CE1 3.46Å; D259-F285 WeakPolarHBondContact OD1-CD1 3.42Å; D259-F285 WeakPolarHBondContact OD2-CB 3.14Å; D259-F285 VanDerWaalsContact OD2-CD1 3.22Å; D259-F285 WeakPolarHBondContact OD2-CD1 3.48Å; D259-F285 VanDerWaalsContact OD2-CG 3.25Å; D259-F285 WeakPolarHBondContact OD2-CG 3.45Å; W261-F285 HydrophobicContact CB-CE1 4.39Å; W261-F285 HydrophobicContact CB-CZ 4.22Å; T282-F285 WeakPolarHBondContact OG1-CB 3.41Å; F285-H314 HydrophobicContact CB-CB 4.01Å; F285-H314 AromaticContact CD1-CE1 3.71Å; F285-H314 AromaticContact CD1-ND1 3.45Å; F285-H314 WeakPolarHBondContact CD1-ND1 3.39Å; F285-H314 HydrophobicContact CD2-CB 3.71Å; F285-H314 AromaticContact CD2-CD2 3.85Å; F285-H314 AromaticContact CD2-CE1 3.83Å; F285-H314 AromaticContact CD2-CG 3.39Å; F285-H314 AromaticContact CD2-ND1 3.39Å; F285-H314 WeakPolarHBondContact CD2-ND1 3.46Å; F285-H314 AromaticContact CE1-CE1 3.44Å; F285-H314 VanDerWaalsContact CE1-CE1 3.44Å; F285-H314 WeakPolarHBondContact CE1-CE1 3.26Å; F285-H314 AromaticContact CE1-ND1 3.69Å; F285-H314 HydrophobicContact CE2-CB 4.45Å; F285-H314 AromaticContact CE2-CD2 3.69Å; F285-H314 AromaticContact CE2-CE1 3.57Å; F285-H314 AromaticContact CE2-CG 3.71Å; F285-H314 AromaticContact CE2-ND1 3.63Å; F285-H314 AromaticContact CE2-NE2 3.6Å; F285-H314 HydrophobicContact CG-CB 3.98Å; F285-H314 AromaticContact CG-CE1 3.89Å; F285-H314 AromaticContact CG-CG 3.71Å; F285-H314 AromaticContact CG-ND1 3.28Å; F285-H314 VanDerWaalsContact CG-ND1 3.28Å; F285-H314 WeakPolarHBondContact CG-ND1 3.45Å; F285-H314 AromaticContact CZ-CE1 3.36Å; F285-H314 WeakPolarHBondContact CZ-CE1 3.36Å; F285-H314 AromaticContact CZ-ND1 3.77Å; F285-H314 AromaticContact CZ-NE2 3.65Å
286Q94.3Very high93.8Very high10 Ų1037.5 Ų37.55%0.04718%0.178CC..  trans-66.7150.6-166.3-70.2-61.1-33.200113.2D259 A260 N281 V291 P386 L389D259-Q286 PolarHBondContact OD1-NE2 2.97Å; A260-Q286 PolarHBondContact O-NE2 3.46Å; N281-Q286 HydrophobicContact CB-CG 3.82Å; N281-Q286 PolarHBondContact OD1-NE2 3.3Å; Q286-V291 HydrophobicContact CB-CG2 4.04Å; Q286-P386 HydrophobicContact CB-CG 4.19Å; Q286-L389 HydrophobicContact CB-CD1 3.89Å; Q286-L389 VanDerWaalsContact O-CD1 3.26Å; Q286-L389 WeakPolarHBondContact O-CD1 3.32Å
287T92.7Very high93.5Very high60 Ų6037.5 Ų37.537%0.36818%0.178SC..  trans-112159.8171.381.40000110.6E289 S290 V291T287-E289 VanDerWaalsContact C-N 3.27Å; T287-E289 VanDerWaalsContact CB-OE2 3.3Å; T287-E289 WeakPolarHBondContact CB-OE2 3.42Å; T287-E289 PolarHBondContact O-N 2.76Å; T287-E289 PolarHBondContact OG1-OE2 3.46Å; T287-S290 PolarHBondContact O-N 3.29Å; T287-S290 PolarHBondContact OG1-N 3.43Å; T287-S290 PolarHBondContact OG1-OG 3.35Å; T287-V291 WeakPolarHBondContact O-CG2 3.39Å; T287-V291 PolarHBondContact O-N 3.4Å
288M90.7Very high93.2Very high39 Ų3938.6 Ų38.619%0.19219%0.185CC..Hα-helixtrans-58.8-41.5177.2-173.860.671.300111.7V291 N292 L389 L392M288-V291 PolarHBondContact O-N 3.24Å; M288-N292 WeakPolarHBondContact O-CB 3.45Å; M288-N292 VanDerWaalsContact O-CG 3.23Å; M288-N292 PolarHBondContact O-N 3.4Å; M288-N292 PolarHBondContact O-ND2 3.01Å; M288-L389 HydrophobicContact CE-CB 4.14Å; M288-L389 HydrophobicContact CE-CD2 4.31Å; M288-L389 VanDerWaalsContact CE-O 3.27Å; M288-L389 WeakPolarHBondContact CE-O 3.09Å; M288-L392 HydrophobicContact CE-CB 3.69Å; M288-L392 HydrophobicContact CE-CD1 4.38Å
289E90.1Very high92.9Very high118 Ų11842.9 Ų42.955%0.55122%0.221SC*.Hα-helixtrans-59.7-51176.9-58.676.5-168.700110.3T287 V291 N292 L293T287-E289 VanDerWaalsContact C-N 3.27Å; T287-E289 VanDerWaalsContact CB-OE2 3.3Å; T287-E289 WeakPolarHBondContact CB-OE2 3.42Å; T287-E289 PolarHBondContact O-N 2.76Å; T287-E289 PolarHBondContact OG1-OE2 3.46Å; E289-V291 PolarHBondContact O-N 3.27Å; E289-N292 PolarHBondContact O-N 2.85Å; E289-L293 WeakPolarHBondContact O-CG 3.43Å; E289-L293 PolarHBondContact O-N 3.47Å; E289-L293 VanDerWaalsContact O-N 3.08Å
290S92Very high92.4Very high11 Ų1147.1 Ų47.18%0.07724%0.24CC..Hα-helixtrans-60-46.9-179.4-60.80000111.4T287 N292 L293 M294T287-S290 PolarHBondContact O-N 3.29Å; T287-S290 PolarHBondContact OG1-N 3.43Å; T287-S290 PolarHBondContact OG1-OG 3.35Å; S290-N292 VanDerWaalsContact C-N 3.34Å; S290-N292 PolarHBondContact O-N 3.34Å; S290-L293 WeakPolarHBondContact O-CB 3.33Å; S290-L293 PolarHBondContact O-N 3.02Å; S290-L293 VanDerWaalsContact O-N 3.11Å; S290-M294 VanDerWaalsContact O-CG 3.3Å; S290-M294 WeakPolarHBondContact O-CG 3.47Å; S290-M294 PolarHBondContact O-N 3.38Å
291V93.2Very high92Very high1 Ų149.3 Ų49.31%0.00625%0.251CS..Hα-helixtrans-59.1-43.3176.9165.60000111.9Q286 T287 M288 E289 L293 M294 K295 A385 L389Q286-V291 HydrophobicContact CB-CG2 4.04Å; T287-V291 WeakPolarHBondContact O-CG2 3.39Å; T287-V291 PolarHBondContact O-N 3.4Å; M288-V291 PolarHBondContact O-N 3.24Å; E289-V291 PolarHBondContact O-N 3.27Å; V291-L293 VanDerWaalsContact C-N 3.26Å; V291-L293 PolarHBondContact O-N 3.48Å; V291-M294 WeakPolarHBondContact O-CB 3.41Å; V291-M294 PolarHBondContact O-N 2.95Å; V291-K295 HydrophobicContact CG1-CD 4.16Å; V291-K295 HydrophobicContact CG1-CG 4.42Å; V291-K295 WeakPolarHBondContact O-CG 3.2Å; V291-K295 PolarHBondContact O-N 3.41Å; V291-A385 HydrophobicContact CB-CB 4.23Å; V291-A385 HydrophobicContact CG1-CB 3.43Å; V291-A385 VanDerWaalsContact CG1-CB 3.43Å; V291-A385 HydrophobicContact CG2-CB 3.7Å; V291-L389 HydrophobicContact CG2-CD1 4.14Å
292N91.5Very high91.7Very high68 Ų6857.3 Ų57.336%0.36429%0.288SS..Hα-helixtrans-62.9-34.9177.8-76.3-24.6000111.9M288 E289 S290 K296M288-N292 WeakPolarHBondContact O-CB 3.45Å; M288-N292 VanDerWaalsContact O-CG 3.23Å; M288-N292 PolarHBondContact O-N 3.4Å; M288-N292 PolarHBondContact O-ND2 3.01Å; E289-N292 PolarHBondContact O-N 2.85Å; S290-N292 VanDerWaalsContact C-N 3.34Å; S290-N292 PolarHBondContact O-N 3.34Å; N292-K296 WeakPolarHBondContact O-CG 3.28Å; N292-K296 PolarHBondContact O-N 3.38Å
293L90.4Very high91.7Very high20 Ų2060.3 Ų60.311%0.10530%0.302CS..Hα-helixtrans-69.7-42173.7-57.6-168.7000112M262 Y270 E289 S290 V291 K295 K296 I297M262-L293 HydrophobicContact CB-CB 4.34Å; M262-L293 HydrophobicContact CB-CD1 4.06Å; M262-L293 HydrophobicContact CE-CB 4.01Å; M262-L293 HydrophobicContact CG-CB 4.49Å; Y270-L293 HydrophobicContact CE1-CD1 3.93Å; Y270-L293 HydrophobicContact CE1-CD2 4.15Å; Y270-L293 HydrophobicContact CE1-CG 4.38Å; Y270-L293 HydrophobicContact CE2-CD2 4.18Å; Y270-L293 VanDerWaalsContact CZ-CD2 3.5Å; Y270-L293 WeakPolarHBondContact OH-CD1 3.36Å; Y270-L293 WeakPolarHBondContact OH-CD2 3.31Å; E289-L293 WeakPolarHBondContact O-CG 3.43Å; E289-L293 PolarHBondContact O-N 3.47Å; E289-L293 VanDerWaalsContact O-N 3.08Å; S290-L293 WeakPolarHBondContact O-CB 3.33Å; S290-L293 PolarHBondContact O-N 3.02Å; S290-L293 VanDerWaalsContact O-N 3.11Å; V291-L293 VanDerWaalsContact C-N 3.26Å; V291-L293 PolarHBondContact O-N 3.48Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.95Å; L293-K296 HydrophobicContact CD2-CD 4.22Å; L293-K296 WeakPolarHBondContact O-CB 3.36Å; L293-K296 PolarHBondContact O-N 2.99Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 3.28Å
294M92.9Very high91.8Very high0 Ų057.9 Ų57.90%029%0.292CS..Hα-helixtrans-59.1-44.8174.6-61.4175.3-177.400111.5A260 M262 F279 S290 V291 K296 I297 C298 I306A260-M294 HydrophobicContact CB-CE 4.15Å; A260-M294 WeakPolarHBondContact O-CE 3.28Å; M262-M294 HydrophobicContact CG-CE 3.77Å; M262-M294 HydrophobicContact CG-CG 4.08Å; M262-M294 HydrophobicContact SD-CE 4.25Å; M262-M294 HydrophobicContact SD-CG 4.23Å; F279-M294 HydrophobicContact CB-SD 4.31Å; F279-M294 HydrophobicContact CD1-CB 4.2Å; F279-M294 HydrophobicContact CD1-CE 4.04Å; F279-M294 HydrophobicContact CD1-CG 3.59Å; F279-M294 HydrophobicContact CD1-SD 3.76Å; F279-M294 HydrophobicContact CD2-CB 4.21Å; F279-M294 HydrophobicContact CD2-CG 4.48Å; F279-M294 HydrophobicContact CE1-CB 4.1Å; F279-M294 HydrophobicContact CE1-CE 4.44Å; F279-M294 HydrophobicContact CE1-CG 3.52Å; F279-M294 HydrophobicContact CE1-SD 4.29Å; F279-M294 HydrophobicContact CE2-CB 4.12Å; F279-M294 HydrophobicContact CE2-CG 4.43Å; F279-M294 HydrophobicContact CG-CB 4.24Å; F279-M294 HydrophobicContact CG-CG 4.08Å; F279-M294 HydrophobicContact CG-SD 4.12Å; F279-M294 HydrophobicContact CZ-CB 4.06Å; F279-M294 HydrophobicContact CZ-CG 3.97Å; S290-M294 VanDerWaalsContact O-CG 3.3Å; S290-M294 WeakPolarHBondContact O-CG 3.47Å; S290-M294 PolarHBondContact O-N 3.38Å; V291-M294 WeakPolarHBondContact O-CB 3.41Å; V291-M294 PolarHBondContact O-N 2.95Å; M294-K296 PolarHBondContact O-N 3.12Å; M294-I297 PolarHBondContact O-N 3.22Å; M294-C298 PolarHBondContact O-N 2.96Å; M294-C298 PolarHBondContact O-SG 2.78Å; M294-I306 HydrophobicContact CB-CD1 3.69Å; M294-I306 HydrophobicContact CB-CG1 4.44Å
295K92.4Very high92.2Very high92 Ų9254.5 Ų54.540%0.428%0.275SS..Hα-helixtrans-60.3-43.7175.8-73.5176.4179174.90111.6V291 L293 I297 C298 A299 I306V291-K295 HydrophobicContact CG1-CD 4.16Å; V291-K295 HydrophobicContact CG1-CG 4.42Å; V291-K295 WeakPolarHBondContact O-CG 3.2Å; V291-K295 PolarHBondContact O-N 3.41Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.95Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.32Å; K295-C298 PolarHBondContact O-N 3.11Å; K295-A299 WeakPolarHBondContact O-CB 3.35Å; K295-A299 PolarHBondContact O-N 3.18Å; K295-I306 HydrophobicContact CG-CD1 4.15Å
296K90.3Very high92.5Very high113 Ų11352.6 Ų52.649%0.49127%0.267SS..Hα-helixtrans-60-40.8175.2-76.1175.3-178.1-178.80112.3Y270 N292 L293 M294 Q300Y270-K296 HydrophobicContact CE2-CD 4.43Å; N292-K296 WeakPolarHBondContact O-CG 3.28Å; N292-K296 PolarHBondContact O-N 3.38Å; L293-K296 HydrophobicContact CD2-CD 4.22Å; L293-K296 WeakPolarHBondContact O-CB 3.36Å; L293-K296 PolarHBondContact O-N 2.99Å; M294-K296 PolarHBondContact O-N 3.12Å; K296-Q300 WeakPolarHBondContact O-CG 3.48Å
297I90.2Very high92.6Very high6 Ų652.1 Ų52.13%0.03127%0.265CS..Hα-helixtrans-66.6-45.5175.7-68.9167000110.4I243 M262 A273 V277 F279 L293 M294 K295 A299 Q300I243-I297 HydrophobicContact CG2-CD1 3.88Å; M262-I297 HydrophobicContact CE-CD1 3.44Å; M262-I297 VanDerWaalsContact CE-CD1 3.44Å; A273-I297 HydrophobicContact CB-CG2 4.41Å; V277-I297 HydrophobicContact CB-CG2 4.26Å; V277-I297 HydrophobicContact CG2-CG2 3.94Å; F279-I297 HydrophobicContact CE2-CB 4.37Å; F279-I297 HydrophobicContact CE2-CG2 4.1Å; F279-I297 HydrophobicContact CZ-CB 4.3Å; F279-I297 HydrophobicContact CZ-CD1 4.01Å; F279-I297 HydrophobicContact CZ-CG2 4.14Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 3.28Å; M294-I297 PolarHBondContact O-N 3.22Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.32Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 2.98Å; I297-Q300 WeakPolarHBondContact O-CB 3.48Å; I297-Q300 PolarHBondContact O-N 3.28Å
298C92Very high92.9Very high23 Ų2349.2 Ų49.216%0.15525%0.248CC..Hα-helixtrans-63.8-33179.7-66.10000112.7M294 K295 Q300 H301 I306M294-C298 PolarHBondContact O-N 2.96Å; M294-C298 PolarHBondContact O-SG 2.78Å; K295-C298 PolarHBondContact O-N 3.11Å; C298-Q300 PolarHBondContact O-N 3.32Å; C298-H301 CarbonylContact O-C 3.48Å; C298-H301 PolarHBondContact O-N 3.35Å; C298-I306 WeakPolarHBondContact SG-CG1 3.49Å
299A91.1Very high93.2Very high90 Ų9047.4 Ų47.474%0.74424%0.239SC*.THydrogen-bonded Turntrans-64.6-16.6174.800000113.9K295 I297K295-A299 WeakPolarHBondContact O-CB 3.35Å; K295-A299 PolarHBondContact O-N 3.18Å; I297-A299 VanDerWaalsContact C-N 3.27Å; I297-A299 PolarHBondContact O-N 2.98Å
300Q88.3Confident93.5Very high89 Ų8944 Ų4442%0.41622%0.224SC..THydrogen-bonded Turntrans-87.4-14.7178.4-63.1176.213.600113.3K296 I297 C298K296-Q300 WeakPolarHBondContact O-CG 3.48Å; I297-Q300 WeakPolarHBondContact O-CB 3.48Å; I297-Q300 PolarHBondContact O-N 3.28Å; C298-Q300 PolarHBondContact O-N 3.32Å
301H90.7Very high93.5Very high46 Ų4643.9 Ų43.921%0.21322%0.224CC..  trans-148.5113.5-176.8-167-71.8000110.7C298 Q303 S304C298-H301 CarbonylContact O-C 3.48Å; C298-H301 PolarHBondContact O-N 3.35Å; H301-Q303 PolarHBondContact ND1-N 2.7Å; H301-Q303 PolarHBondContact O-N 2.87Å; H301-S304 VanDerWaalsContact O-CB 3.27Å; H301-S304 WeakPolarHBondContact O-CB 3.28Å; H301-S304 PolarHBondContact O-N 3.48Å; H301-S304 PolarHBondContact O-OG 3.31Å
302E91.8Very high93.6Very high168 Ų16843.9 Ų43.979%0.78522%0.224SC*.THydrogen-bonded Turntrans-59.7-21-17166.8177.1-171.200115R305E302-R305 PolarHBondContact O-NH1 2.99Å
303Q95.4Very high93.6Very high63 Ų6341 Ų4129%0.29421%0.209SC..THydrogen-bonded Turntrans-93.2-4.1178.4-48.9-174.9-46.400113.4P276 H301 H360P276-Q303 HydrophobicContact CB-CB 4.07Å; H301-Q303 PolarHBondContact ND1-N 2.7Å; H301-Q303 PolarHBondContact O-N 2.87Å; Q303-H360 PolarHBondContact OE1-CE1 2.71Å; Q303-H360 PolarHBondContact OE1-ND1 2.73Å
304S96.6Very high93.8Very high6 Ų642.1 Ų42.14%0.04221%0.214CC..  trans-70146.1171.8-67.20000110.5V277 H301V277-S304 PolarHBondContact N-OG 2.95Å; V277-S304 CarbonylContact O-C 3.39Å; V277-S304 WeakPolarHBondContact O-CA 3.44Å; V277-S304 VanDerWaalsContact O-CB 3.3Å; V277-S304 WeakPolarHBondContact O-CB 3.27Å; H301-S304 VanDerWaalsContact O-CB 3.27Å; H301-S304 WeakPolarHBondContact O-CB 3.28Å; H301-S304 PolarHBondContact O-N 3.48Å; H301-S304 PolarHBondContact O-OG 3.31Å
305R97.4Very high93.7Very high59 Ų5945.6 Ų45.622%0.22323%0.227CC..EExtended strand (participates in β ladder)trans-141.4151.2-171.8-70.1-70.9-175.8-78.4-1111.2V277 F278 F279 E302 I374 E375V277-R305 PolarHBondContact O-N 3.37Å; F278-R305 HydrophobicContact CD2-CB 3.65Å; F278-R305 HydrophobicContact CE2-CB 3.91Å; F279-R305 PolarHBondContact N-O 3.35Å; E302-R305 PolarHBondContact O-NH1 2.99Å; R305-I374 HydrophobicContact CB-CG2 4.18Å; R305-I374 HydrophobicContact CG-CG2 3.72Å; R305-E375 IonicContact CZ-OE1 3.37Å; R305-E375 IonicContact CZ-OE2 3.51Å; R305-E375 IonicContact NE-OE1 3.36Å; R305-E375 PolarHBondContact NE-OE1 3.13Å; R305-E375 IonicContact NE-OE2 3.39Å; R305-E375 PolarHBondContact NE-OE2 3.18Å; R305-E375 IonicContact NH2-OE1 2.8Å; R305-E375 PolarHBondContact NH2-OE1 2.94Å; R305-E375 IonicContact NH2-OE2 2.69Å
306I97.8Very high93.7Very high22 Ų2242 Ų4211%0.11321%0.213CC..EExtended strand (participates in β ladder)trans-128.2128172.1-50.8175.4000106.6F279 M294 K295 C298 G384F279-I306 HydrophobicContact CB-CB 4.31Å; F279-I306 HydrophobicContact CB-CG1 4.12Å; F279-I306 HydrophobicContact CB-CG2 4.09Å; F279-I306 HydrophobicContact CD2-CG1 3.92Å; F279-I306 HydrophobicContact CG-CG1 4.34Å; F279-I306 WeakPolarHBondContact O-CA 3.25Å; M294-I306 HydrophobicContact CB-CD1 3.69Å; M294-I306 HydrophobicContact CB-CG1 4.44Å; K295-I306 HydrophobicContact CG-CD1 4.15Å; C298-I306 WeakPolarHBondContact SG-CG1 3.49Å; I306-G384 WeakPolarHBondContact O-CA 3.48Å; I306-G384 PolarHBondContact O-N 2.9Å
307I98.2Very high94Very high0 Ų036.6 Ų36.60%019%0.19CC..EExtended strand (participates in β ladder)trans-128.7158.4168.162.7167.1000109.4F278 F279 I280 N281 A352 I374 L381 G384F278-I307 HydrophobicContact CE2-CB 4.47Å; F278-I307 HydrophobicContact CE2-CD1 3.98Å; F278-I307 HydrophobicContact CE2-CG1 3.76Å; F278-I307 HydrophobicContact CE2-CG2 4.02Å; F278-I307 HydrophobicContact CZ-CD1 3.54Å; F278-I307 HydrophobicContact CZ-CG1 3.87Å; F278-I307 HydrophobicContact CZ-CG2 4.47Å; F279-I307 PolarHBondContact O-N 2.9Å; I280-I307 HydrophobicContact CB-CG1 4.32Å; I280-I307 HydrophobicContact CG1-CD1 4.16Å; I280-I307 HydrophobicContact CG1-CG1 4.12Å; I280-I307 HydrophobicContact CG2-CD1 4.08Å; I280-I307 HydrophobicContact CG2-CG1 4.15Å; N281-I307 PolarHBondContact N-O 3.08Å; I307-A352 HydrophobicContact CD1-CB 4.15Å; I307-I374 VanDerWaalsContact CG2-O 3.28Å; I307-I374 WeakPolarHBondContact CG2-O 3.26Å; I307-L381 HydrophobicContact CD1-CD1 4.47Å; I307-L381 HydrophobicContact CD1-CD2 4.13Å; I307-G384 CarbonylContact C-O 3.59Å
308T98.2Very high94.2Very high0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-124.2132.3173.1-61.80000109.9N281 E283 L381 T382 G384 P386N281-T308 WeakPolarHBondContact O-CA 3.38Å; E283-T308 HydrophobicContact CB-CG2 4.45Å; T308-L381 WeakPolarHBondContact O-CA 3.39Å; T308-T382 HydrophobicContact CG2-CG2 4.3Å; T308-T382 PolarHBondContact N-O 3.26Å; T308-T382 PolarHBondContact O-N 3.45Å; T308-G384 PolarHBondContact N-O 3.22Å; T308-G384 PolarHBondContact OG1-O 3.17Å; T308-P386 HydrophobicContact CG2-CB 4.26Å; T308-P386 HydrophobicContact CG2-CG 3.82Å; T308-P386 WeakPolarHBondContact OG1-CD 3.23Å
309V97.6Very high94.3Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-89.3107.1175.7-1730000109.2I280 N281 E283 S312 L340 V348 M349 S380 L381I280-V309 HydrophobicContact CG2-CG2 3.85Å; N281-V309 PolarHBondContact O-N 3.48Å; E283-V309 PolarHBondContact N-O 3.32Å; V309-S312 WeakPolarHBondContact O-CB 3.07Å; V309-S312 PolarHBondContact O-N 3.11Å; V309-S312 PolarHBondContact O-OG 3.21Å; V309-L340 HydrophobicContact CG1-CD2 3.51Å; V309-V348 HydrophobicContact CG1-CG1 4.25Å; V309-M349 HydrophobicContact CG2-CG 3.67Å; V309-M349 HydrophobicContact CG2-SD 4.04Å; V309-S380 CarbonylContact C-O 3.54Å; V309-S380 WeakPolarHBondContact CA-O 3.26Å; V309-L381 HydrophobicContact CB-CD2 4.33Å; V309-L381 HydrophobicContact CG2-CD2 3.8Å
310L95.9Very high94.2Very high48 Ų4832.6 Ų32.625%0.25115%0.154SC..THydrogen-bonded Turntrans-66.4144.6-179.3-59.7178.4000111.5S312 S380 T382L310-S312 PolarHBondContact O-N 3.43Å; L310-S380 PolarHBondContact N-O 3.29Å; L310-T382 HydrophobicContact CD2-CG2 3.75Å; L310-T382 HydrophobicContact CG-CG2 4.25Å
311G92.6Very high94.2Very high7 Ų729.1 Ų29.17%0.07214%0.141CC..THydrogen-bonded Turntrans73.5-2.4-176.900000114.8E283 G338 S339 L340E283-G311 VanDerWaalsContact OE2-CA 3.29Å; E283-G311 WeakPolarHBondContact OE2-CA 3.49Å; E283-G311 PolarHBondContact OE2-N 3.48Å; G311-G338 CarbonylContact O-C 3.59Å; G311-G338 WeakPolarHBondContact O-CA 3.32Å; G311-S339 WeakPolarHBondContact CA-OG 3.48Å; G311-S339 PolarHBondContact O-N 3.04Å; G311-S339 PolarHBondContact O-OG 2.93Å; G311-L340 PolarHBondContact O-N 3.33Å
312S93.9Very high94Very high1 Ų127.2 Ų27.21%0.00713%0.132CC..  trans-91158.3179.474.10000112.8T282 E283 V309 L310T282-S312 WeakPolarHBondContact CA-OG 3.37Å; T282-S312 WeakPolarHBondContact CB-OG 3.29Å; E283-S312 PolarHBondContact N-O 3.11Å; E283-S312 PolarHBondContact N-OG 3.4Å; V309-S312 WeakPolarHBondContact O-CB 3.07Å; V309-S312 PolarHBondContact O-N 3.11Å; V309-S312 PolarHBondContact O-OG 3.21Å; L310-S312 PolarHBondContact O-N 3.43Å
313V93Very high93.3Very high9 Ų920 Ų206%0.05510%0.099CC..  trans-124.8165.3173.7-680000109.4T282 K284 R315 S316 T336T282-V313 WeakPolarHBondContact CG2-O 3.14Å; K284-V313 HydrophobicContact CB-CG1 4.37Å; K284-V313 HydrophobicContact CD-CG1 3.94Å; K284-V313 HydrophobicContact CG-CG1 4.44Å; V313-R315 PolarHBondContact O-N 3.07Å; V313-S316 WeakPolarHBondContact CG2-OG 3.46Å; V313-S316 PolarHBondContact N-OG 3.03Å; V313-S316 VanDerWaalsContact N-OG 3.1Å; V313-S316 WeakPolarHBondContact O-CA 3.37Å; V313-S316 WeakPolarHBondContact O-CB 3.35Å; V313-S316 PolarHBondContact O-N 3.07Å; V313-S316 PolarHBondContact O-OG 3.11Å; V313-T336 WeakPolarHBondContact CG2-O 3.3Å
314H94.4Very high91.7Very high43 Ų4318.1 Ų18.120%0.1999%0.092CC..G310 helixtrans-47.5-42.2-178.9-16252.1000113.9H235 S236 D259 T282 F285 S316 Q317H235-H314 AromaticContact CE1-CE1 3.73Å; H235-H314 AromaticContact CE1-NE2 3.64Å; H235-H314 AromaticContact NE2-CE1 3.25Å; H235-H314 PolarHBondContact NE2-CE1 2.91Å; H235-H314 VanDerWaalsContact NE2-CE1 3.25Å; H235-H314 AromaticContact NE2-ND1 3.53Å; H235-H314 AromaticContact NE2-NE2 3.63Å; H235-H314 PolarHBondContact NE2-O 3.26Å; S236-H314 WeakPolarHBondContact CB-CE1 3.18Å; S236-H314 VanDerWaalsContact CB-NE2 3.28Å; S236-H314 WeakPolarHBondContact CB-NE2 3.25Å; S236-H314 PolarHBondContact OG-CE1 3.36Å; S236-H314 PolarHBondContact OG-NE2 3.31Å; D259-H314 IonicContact OD2-CE1 3.83Å; D259-H314 IonicContact OD2-CG 3.88Å; D259-H314 IonicContact OD2-ND1 2.81Å; D259-H314 PolarHBondContact OD2-ND1 3.41Å; T282-H314 PolarHBondContact OG1-N 2.74Å; F285-H314 HydrophobicContact CB-CB 4.01Å; F285-H314 AromaticContact CD1-CE1 3.71Å; F285-H314 AromaticContact CD1-ND1 3.45Å; F285-H314 WeakPolarHBondContact CD1-ND1 3.39Å; F285-H314 HydrophobicContact CD2-CB 3.71Å; F285-H314 AromaticContact CD2-CD2 3.85Å; F285-H314 AromaticContact CD2-CE1 3.83Å; F285-H314 AromaticContact CD2-CG 3.39Å; F285-H314 AromaticContact CD2-ND1 3.39Å; F285-H314 WeakPolarHBondContact CD2-ND1 3.46Å; F285-H314 AromaticContact CE1-CE1 3.44Å; F285-H314 VanDerWaalsContact CE1-CE1 3.44Å; F285-H314 WeakPolarHBondContact CE1-CE1 3.26Å; F285-H314 AromaticContact CE1-ND1 3.69Å; F285-H314 HydrophobicContact CE2-CB 4.45Å; F285-H314 AromaticContact CE2-CD2 3.69Å; F285-H314 AromaticContact CE2-CE1 3.57Å; F285-H314 AromaticContact CE2-CG 3.71Å; F285-H314 AromaticContact CE2-ND1 3.63Å; F285-H314 AromaticContact CE2-NE2 3.6Å; F285-H314 HydrophobicContact CG-CB 3.98Å; F285-H314 AromaticContact CG-CE1 3.89Å; F285-H314 AromaticContact CG-CG 3.71Å; F285-H314 AromaticContact CG-ND1 3.28Å; F285-H314 VanDerWaalsContact CG-ND1 3.28Å; F285-H314 WeakPolarHBondContact CG-ND1 3.45Å; F285-H314 AromaticContact CZ-CE1 3.36Å; F285-H314 WeakPolarHBondContact CZ-CE1 3.36Å; F285-H314 AromaticContact CZ-ND1 3.77Å; F285-H314 AromaticContact CZ-NE2 3.65Å; H314-S316 VanDerWaalsContact C-N 3.29Å; H314-S316 PolarHBondContact O-N 3.28Å; H314-Q317 PolarHBondContact O-N 3.49Å
315R90.3Very high89.8Confident73 Ų7318.7 Ų18.728%0.27510%0.098SC..G310 helixtrans-72.8-15.6179.7-66.6-174.1-174.2-102.6-0.1114.5L66 V313 Q317 T318L66-R315 VanDerWaalsContact CD2-NH2 3.31Å; V313-R315 PolarHBondContact O-N 3.07Å; R315-Q317 PolarHBondContact O-N 2.73Å; R315-Q317 VanDerWaalsContact O-N 3.13Å; R315-T318 PolarHBondContact O-N 3.12Å; R315-T318 PolarHBondContact O-OG1 3.37Å
316S92.6Very high87.4Confident16 Ų1622.6 Ų22.611%0.11212%0.124CC..G310 helixtrans-59.4-19.7173.5-62.70000112.3V313 H314V313-S316 WeakPolarHBondContact CG2-OG 3.46Å; V313-S316 PolarHBondContact N-OG 3.03Å; V313-S316 VanDerWaalsContact N-OG 3.1Å; V313-S316 WeakPolarHBondContact O-CA 3.37Å; V313-S316 WeakPolarHBondContact O-CB 3.35Å; V313-S316 PolarHBondContact O-N 3.07Å; V313-S316 PolarHBondContact O-OG 3.11Å; H314-S316 VanDerWaalsContact C-N 3.29Å; H314-S316 PolarHBondContact O-N 3.28Å
317Q95.2Very high84.9Confident0 Ų028.6 Ų28.60%016%0.155CC..G310 helixtrans-96.821.5176.6-68.2-176.4-19.400113.5Y117 F120 H235 L258 I280 T282 H314 R315 M349Y117-Q317 WeakPolarHBondContact CD1-O 3.33Å; Y117-Q317 WeakPolarHBondContact CE1-O 3.48Å; F120-Q317 HydrophobicContact CE2-CB 4.31Å; H235-Q317 PolarHBondContact CD2-OE1 3.23Å; H235-Q317 VanDerWaalsContact CD2-OE1 3.32Å; L258-Q317 VanDerWaalsContact CB-OE1 3.29Å; I280-Q317 PolarHBondContact O-NE2 3.4Å; T282-Q317 HydrophobicContact CG2-CG 3.97Å; H314-Q317 PolarHBondContact O-N 3.49Å; R315-Q317 PolarHBondContact O-N 2.73Å; R315-Q317 VanDerWaalsContact O-N 3.13Å; Q317-M349 HydrophobicContact CG-CE 3.9Å; Q317-M349 HydrophobicContact CG-SD 3.57Å; Q317-M349 VanDerWaalsContact CG-SD 3.57Å; Q317-M349 PolarHBondContact NE2-SD 2.92Å
318T95.1Very high82.7Confident13 Ų1330 Ų308%0.0816%0.163CC..SBendtrans-131.9161.4176.270.70000110.4Y117 R315 F320 A321Y117-T318 HydrophobicContact CE1-CG2 3.91Å; R315-T318 PolarHBondContact O-N 3.12Å; R315-T318 PolarHBondContact O-OG1 3.37Å; T318-F320 PolarHBondContact O-N 3.17Å; T318-F320 VanDerWaalsContact O-N 3.08Å; T318-A321 VanDerWaalsContact O-CB 3.29Å; T318-A321 WeakPolarHBondContact O-CB 3.38Å; T318-A321 PolarHBondContact O-N 3.17Å
319D94.3Very high80.4Confident0 Ų031.6 Ų31.60%018%0.179CC..THydrogen-bonded Turntrans-60.3-21.3178.2-70.3-15.1000113.6F9 W52 L116 Y117 S118 A119 A321 F322F9-D319 HydrophobicContact CE1-CB 3.74Å; F9-D319 VanDerWaalsContact CE1-CG 3.5Å; F9-D319 HydrophobicContact CZ-CB 4.05Å; W52-D319 HydrophobicContact CH2-CB 4.46Å; W52-D319 HydrophobicContact CZ2-CB 3.45Å; W52-D319 VanDerWaalsContact CZ2-CB 3.45Å; W52-D319 PolarHBondContact NE1-OD2 3.39Å; L116-D319 WeakPolarHBondContact CA-OD2 3.21Å; L116-D319 VanDerWaalsContact O-CG 3.3Å; L116-D319 PolarHBondContact O-N 2.95Å; Y117-D319 VanDerWaalsContact C-OD1 3.31Å; Y117-D319 WeakPolarHBondContact CA-OD1 3.38Å; Y117-D319 PolarHBondContact N-OD2 2.84Å; Y117-D319 VanDerWaalsContact N-OD2 3.1Å; S118-D319 VanDerWaalsContact CB-OD2 3.24Å; S118-D319 WeakPolarHBondContact CB-OD2 3.34Å; S118-D319 PolarHBondContact N-OD1 3.43Å; S118-D319 PolarHBondContact N-OD2 3.46Å; S118-D319 PolarHBondContact OG-OD2 3.37Å; A119-D319 WeakPolarHBondContact CB-OD1 3.37Å; A119-D319 PolarHBondContact N-OD1 3.39Å; D319-A321 PolarHBondContact O-N 2.97Å; D319-A321 VanDerWaalsContact O-N 3.09Å; D319-F322 PolarHBondContact O-N 3.36Å
320F88.9Confident77.9Confident21 Ų2140.4 Ų40.49%0.09222%0.218CC..Hα-helixtrans-59.3-21.7175-72.9-68.8000113.3W52 L62 L116 T318 F322 T324W52-F320 AromaticContact CH2-CD1 3.79Å; W52-F320 HydrophobicContact CH2-CD1 3.79Å; W52-F320 AromaticContact CH2-CE1 3.82Å; W52-F320 HydrophobicContact CH2-CE1 3.82Å; W52-F320 HydrophobicContact CH2-CG 4.39Å; W52-F320 HydrophobicContact CH2-CZ 4.45Å; W52-F320 HydrophobicContact CZ2-CD1 4.46Å; W52-F320 HydrophobicContact CZ2-CE1 4.45Å; L62-F320 HydrophobicContact CD1-CZ 3.87Å; L62-F320 HydrophobicContact CD2-CE2 4.46Å; L62-F320 HydrophobicContact CD2-CZ 4.15Å; L116-F320 HydrophobicContact CD1-CE2 3.97Å; L116-F320 HydrophobicContact CD1-CZ 4.49Å; L116-F320 HydrophobicContact CD2-CE2 4.07Å; L116-F320 HydrophobicContact CD2-CZ 4.15Å; T318-F320 PolarHBondContact O-N 3.17Å; T318-F320 VanDerWaalsContact O-N 3.08Å; F320-F322 PolarHBondContact O-N 2.74Å; F320-T324 WeakPolarHBondContact O-CG2 3.49Å; F320-T324 PolarHBondContact O-N 3.12Å; F320-T324 PolarHBondContact O-OG1 2.86Å
321A88.8Confident75.6Confident17 Ų1745.1 Ų45.114%0.1424%0.236CC..Hα-helixtrans-59-27.8173.700000112.6T318 D319 P342T318-A321 VanDerWaalsContact O-CB 3.29Å; T318-A321 WeakPolarHBondContact O-CB 3.38Å; T318-A321 PolarHBondContact O-N 3.17Å; D319-A321 PolarHBondContact O-N 2.97Å; D319-A321 VanDerWaalsContact O-N 3.09Å; A321-P342 HydrophobicContact CB-CB 3.87Å
322F86.8Confident73.6Confident5 Ų545.7 Ų45.72%0.02224%0.237CC..Hα-helixtrans-104.4-19.3-173.9-56.6-70.3000114.7V7 G8 P10 A119 D319 F320 P342 Y343 Q346V7-F322 WeakPolarHBondContact CG1-O 3.42Å; G8-F322 PolarHBondContact N-O 3.03Å; P10-F322 HydrophobicContact CG-CD1 4.27Å; P10-F322 HydrophobicContact CG-CE1 4.04Å; P10-F322 HydrophobicContact CG-CE2 4.4Å; P10-F322 HydrophobicContact CG-CZ 4.14Å; A119-F322 HydrophobicContact CB-CD2 3.93Å; A119-F322 HydrophobicContact CB-CE2 3.65Å; D319-F322 PolarHBondContact O-N 3.36Å; F320-F322 PolarHBondContact O-N 2.74Å; F322-P342 HydrophobicContact CD1-CB 4.17Å; F322-P342 HydrophobicContact CE1-CB 3.78Å; F322-P342 HydrophobicContact CE1-CG 4.46Å; F322-P342 WeakPolarHBondContact CE1-O 3.44Å; F322-P342 HydrophobicContact CZ-CB 4.28Å; F322-P342 WeakPolarHBondContact CZ-O 3.27Å; F322-Y343 AromaticContact CD1-CD1 4Å; F322-Y343 HydrophobicContact CD1-CD1 4Å; F322-Y343 AromaticContact CD1-CE1 3.69Å; F322-Y343 HydrophobicContact CD1-CE1 3.69Å; F322-Y343 HydrophobicContact CD1-CE2 4.38Å; F322-Y343 HydrophobicContact CD1-CG 4.44Å; F322-Y343 AromaticContact CD1-CZ 3.89Å; F322-Y343 AromaticContact CE1-CD1 3.86Å; F322-Y343 HydrophobicContact CE1-CD1 3.86Å; F322-Y343 HydrophobicContact CE1-CE1 4.05Å; F322-Y343 HydrophobicContact CE1-CG 4.12Å; F322-Q346 HydrophobicContact CZ-CB 3.84Å; F322-Q346 HydrophobicContact CZ-CG 4.49Å
323V75.7Confident71.4Confident16 Ų1648.7 Ų48.710%0.09726%0.257CS..Hα-helixtrans-106.7-3.5-172.1-164.60000112.1F9 W52 V81 G325F9-V323 HydrophobicContact CD2-CG2 4.48Å; F9-V323 HydrophobicContact CE2-CG2 3.8Å; F9-V323 HydrophobicContact CZ-CG2 3.86Å; W52-V323 HydrophobicContact CD2-CG2 4.46Å; W52-V323 HydrophobicContact CE3-CB 4.26Å; W52-V323 HydrophobicContact CE3-CG1 4.03Å; W52-V323 HydrophobicContact CE3-CG2 3.87Å; W52-V323 HydrophobicContact CH2-CB 3.88Å; W52-V323 HydrophobicContact CH2-CG1 4.35Å; W52-V323 HydrophobicContact CH2-CG2 3.82Å; W52-V323 HydrophobicContact CZ2-CG2 4.41Å; W52-V323 HydrophobicContact CZ3-CB 3.51Å; W52-V323 HydrophobicContact CZ3-CG1 3.49Å; W52-V323 VanDerWaalsContact CZ3-CG1 3.49Å; W52-V323 HydrophobicContact CZ3-CG2 3.51Å; V81-V323 HydrophobicContact CG1-CG1 4.01Å; V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 2.89Å
324T63.2Low69.2Low25 Ų2554.4 Ų54.415%0.15329%0.293CS..  trans-8174.9175.449.20000111.7F320 I328F320-T324 WeakPolarHBondContact O-CG2 3.49Å; F320-T324 PolarHBondContact O-N 3.12Å; F320-T324 PolarHBondContact O-OG1 2.86Å; T324-I328 HydrophobicContact CG2-CG2 3.98Å
325G55.4Low67.1Low17 Ų1760.3 Ų60.318%0.17532%0.32CS..  trans-62.5169.6167.300000112.4V323 L327 I328 G329V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 2.89Å; G325-L327 PolarHBondContact O-N 2.85Å; G325-I328 PolarHBondContact O-N 2.85Å; G325-G329 PolarHBondContact O-N 3.16Å
326N47.6Very low65.7Low141 Ų14158.9 Ų58.975%0.75432%0.32SS*.THydrogen-bonded Turntrans-53.3-20.3-176.6-75.3-13.1000115.2
327L46Very low64.7Low148 Ų14864.6 Ų64.678%0.77534%0.339SS*.THydrogen-bonded Turntrans-78.8-37.8176.8-70.9168.3000112.8G325 F331G325-L327 PolarHBondContact O-N 2.85Å; L327-F331 WeakPolarHBondContact O-CD2 3.16Å
328I50.8Low64.1Low30 Ų3065.2 Ų65.215%0.15435%0.346CS..THydrogen-bonded Turntrans-87.1-35.1-178.2-58.9166.9000110.5A80 V81 T324 G325 K330 F331 F332A80-I328 HydrophobicContact CB-CD1 3.53Å; A80-I328 HydrophobicContact CB-CG1 3.95Å; V81-I328 HydrophobicContact CG1-CD1 4.44Å; T324-I328 HydrophobicContact CG2-CG2 3.98Å; G325-I328 PolarHBondContact O-N 2.85Å; I328-K330 PolarHBondContact O-N 2.83Å; I328-F331 PolarHBondContact O-N 2.89Å; I328-F332 HydrophobicContact CG2-CD2 3.3Å; I328-F332 HydrophobicContact CG2-CE2 3.33Å; I328-F332 WeakPolarHBondContact O-CD2 3.48Å; I328-F332 PolarHBondContact O-N 3.34Å; I328-F332 VanDerWaalsContact O-N 3.09Å
329G51.2Low63.8Low34 Ų3469.5 Ų69.535%0.35138%0.376SS..THydrogen-bonded Turntrans-60.8-11.5175.800000114.9G325G325-G329 PolarHBondContact O-N 3.16Å
330K43.3Very low63.7Low185 Ų18570.4 Ų70.480%0.80438%0.381SS*.THydrogen-bonded Turntrans-85-27.6169.9-73.9-178178-179.50113.6I328I328-K330 PolarHBondContact O-N 2.83Å
331F48.1Very low63.8Low146 Ų14671.7 Ų71.764%0.6439%0.388SS*.THydrogen-bonded Turntrans-87-29.8178.6-77.4-81.8000112.5L327 I328L327-F331 WeakPolarHBondContact O-CD2 3.16Å; I328-F331 PolarHBondContact O-N 2.89Å
332F50.8Low63.9Low20 Ų2071.7 Ų71.79%0.08839%0.387CS..SBendtrans-90.6121.6170.9-71-90.5000108.7L66 F77 I328 T336L66-F332 HydrophobicContact CD1-CE1 3.78Å; L66-F332 HydrophobicContact CD1-CZ 4.04Å; F77-F332 HydrophobicContact CE1-CE2 4.01Å; F77-F332 AromaticContact CE1-CZ 3.56Å; F77-F332 HydrophobicContact CE1-CZ 3.56Å; F77-F332 HydrophobicContact CZ-CE1 4.47Å; F77-F332 HydrophobicContact CZ-CE2 4.23Å; F77-F332 AromaticContact CZ-CZ 3.54Å; F77-F332 HydrophobicContact CZ-CZ 3.54Å; I328-F332 HydrophobicContact CG2-CD2 3.3Å; I328-F332 HydrophobicContact CG2-CE2 3.33Å; I328-F332 WeakPolarHBondContact O-CD2 3.48Å; I328-F332 PolarHBondContact O-N 3.34Å; I328-F332 VanDerWaalsContact O-N 3.09Å; F332-T336 HydrophobicContact CB-CG2 4.36Å; F332-T336 WeakPolarHBondContact CB-OG1 3.4Å
333S47.8Very low64.3Low63 Ų6374.2 Ų74.244%0.44140%0.397SS..  trans-41.1141.7177.5165.50000111.7Q335 T336S333-Q335 PolarHBondContact O-N 3.19Å; S333-Q335 WeakPolarHBondContact OG-CB 3.42Å; S333-Q335 PolarHBondContact OG-N 3.02Å; S333-T336 WeakPolarHBondContact O-CB 3.49Å; S333-T336 PolarHBondContact O-N 3.24Å; S333-T336 PolarHBondContact O-OG1 3.06Å
334T46.4Very low65.1Low130 Ų13079 Ų7980%0.79842%0.418SS*.G310 helixtrans-51.8-16.3172.845.60000113.7T336T334-T336 VanDerWaalsContact C-N 3.26Å; T334-T336 PolarHBondContact O-N 3.03Å
335Q49.9Very low66.6Low166 Ų16678 Ų7878%0.77641%0.413SS*.G310 helixtrans-73.8-9.9172.1-63.2-179.9-16.900114.6S333S333-Q335 PolarHBondContact O-N 3.19Å; S333-Q335 WeakPolarHBondContact OG-CB 3.42Å; S333-Q335 PolarHBondContact OG-N 3.02Å
336T61.2Low68.5Low43 Ų4377.7 Ų77.726%0.26441%0.407SS..G310 helixtrans-92.2-6.9-17861.50000114.2V313 F332 S333 T334V313-T336 WeakPolarHBondContact CG2-O 3.3Å; F332-T336 HydrophobicContact CB-CG2 4.36Å; F332-T336 WeakPolarHBondContact CB-OG1 3.4Å; S333-T336 WeakPolarHBondContact O-CB 3.49Å; S333-T336 PolarHBondContact O-N 3.24Å; S333-T336 PolarHBondContact O-OG1 3.06Å; T334-T336 VanDerWaalsContact C-N 3.26Å; T334-T336 PolarHBondContact O-N 3.03Å
337R72.1Confident70.8Confident136 Ų13675 Ų7551%0.51339%0.39SS..SBendtrans-115.1125.4178.6-165.2172.4177.8152.2-0.6109.8
338G82.1Confident73.2Confident14 Ų1468.7 Ų68.714%0.14436%0.358CS..  trans-66.6165.3173.300000112G311G311-G338 CarbonylContact O-C 3.59Å; G311-G338 WeakPolarHBondContact O-CA 3.32Å
339S89.8Confident75.4Confident102 Ų10267.3 Ų67.371%0.71335%0.351SS*.SBendtrans-82.5-18.8168.455.50000112.5G311G311-S339 WeakPolarHBondContact CA-OG 3.48Å; G311-S339 PolarHBondContact O-N 3.04Å; G311-S339 PolarHBondContact O-OG 2.93Å
340L91.9Very high77.6Confident19 Ų1965.9 Ų65.910%0.09934%0.335CS..SBendtrans-74.4137.2171.5-17462.6000110V309 G311 E344 S380V309-L340 HydrophobicContact CG1-CD2 3.51Å; G311-L340 PolarHBondContact O-N 3.33Å; L340-E344 HydrophobicContact CD1-CB 4.43Å; L340-S380 WeakPolarHBondContact CD1-OG 3.33Å
341D91.4Very high80.3Confident48 Ų4861.4 Ų61.426%0.25731%0.313SS..  trans-58.8132.3172.6177.5-89.8000110.1Y343 E344 G345D341-Y343 VanDerWaalsContact C-N 3.27Å; D341-Y343 PolarHBondContact O-N 3.26Å; D341-Y343 WeakPolarHBondContact OD1-CA 3.38Å; D341-Y343 WeakPolarHBondContact OD1-CB 3.49Å; D341-Y343 PolarHBondContact OD1-N 2.88Å; D341-E344 HydrophobicContact CB-CB 4.09Å; D341-E344 HydrophobicContact CB-CG 3.94Å; D341-E344 PolarHBondContact O-N 3.23Å; D341-E344 PolarHBondContact OD1-N 3.05Å; D341-G345 PolarHBondContact O-N 2.88Å
342P91.5Very high82.7Confident18 Ų1854.5 Ų54.512%0.11728%0.283CS..Hα-helixtrans-63.6-30.6-175.625.6-36000113.4A321 F322 Q346A321-P342 HydrophobicContact CB-CB 3.87Å; F322-P342 HydrophobicContact CD1-CB 4.17Å; F322-P342 HydrophobicContact CE1-CB 3.78Å; F322-P342 HydrophobicContact CE1-CG 4.46Å; F322-P342 WeakPolarHBondContact CE1-O 3.44Å; F322-P342 HydrophobicContact CZ-CB 4.28Å; F322-P342 WeakPolarHBondContact CZ-O 3.27Å; P342-Q346 PolarHBondContact O-N 3.04Å
343Y93.1Very high84.9Confident58 Ų5853.5 Ų53.523%0.22728%0.278CS..Hα-helixtrans-73.5-47.2178.2-58-89000110.5G8 P10 F322 D341 G345 Q346 E347G8-Y343 PolarHBondContact N-OH 3Å; G8-Y343 PolarHBondContact O-OH 3.49Å; P10-Y343 HydrophobicContact CB-CD1 3.89Å; P10-Y343 HydrophobicContact CB-CE1 4.12Å; P10-Y343 HydrophobicContact CG-CD1 4.46Å; F322-Y343 AromaticContact CD1-CD1 4Å; F322-Y343 HydrophobicContact CD1-CD1 4Å; F322-Y343 AromaticContact CD1-CE1 3.69Å; F322-Y343 HydrophobicContact CD1-CE1 3.69Å; F322-Y343 HydrophobicContact CD1-CE2 4.38Å; F322-Y343 HydrophobicContact CD1-CG 4.44Å; F322-Y343 AromaticContact CD1-CZ 3.89Å; F322-Y343 AromaticContact CE1-CD1 3.86Å; F322-Y343 HydrophobicContact CE1-CD1 3.86Å; F322-Y343 HydrophobicContact CE1-CE1 4.05Å; F322-Y343 HydrophobicContact CE1-CG 4.12Å; D341-Y343 VanDerWaalsContact C-N 3.27Å; D341-Y343 PolarHBondContact O-N 3.26Å; D341-Y343 WeakPolarHBondContact OD1-CA 3.38Å; D341-Y343 WeakPolarHBondContact OD1-CB 3.49Å; D341-Y343 PolarHBondContact OD1-N 2.88Å; Y343-G345 VanDerWaalsContact C-N 3.31Å; Y343-G345 PolarHBondContact O-N 3.44Å; Y343-Q346 PolarHBondContact O-N 3.23Å; Y343-E347 WeakPolarHBondContact O-CB 3.3Å; Y343-E347 PolarHBondContact O-N 3.16Å
344E94.2Very high87.4Confident115 Ų11550.6 Ų50.654%0.53726%0.258SS..Hα-helixtrans-59.3-43.1173.7-65.6-178.8174.700111.5L340 D341 E347 V348L340-E344 HydrophobicContact CD1-CB 4.43Å; D341-E344 HydrophobicContact CB-CB 4.09Å; D341-E344 HydrophobicContact CB-CG 3.94Å; D341-E344 PolarHBondContact O-N 3.23Å; D341-E344 PolarHBondContact OD1-N 3.05Å; E344-E347 PolarHBondContact O-N 3.44Å; E344-V348 WeakPolarHBondContact O-CG1 3.43Å; E344-V348 PolarHBondContact O-N 3.06Å
345G94.4Very high89.8Confident4 Ų444.4 Ų44.44%0.04122%0.22CC..Hα-helixtrans-61.2-45.6177.600000112.9D341 Y343 V348 M349D341-G345 PolarHBondContact O-N 2.88Å; Y343-G345 VanDerWaalsContact C-N 3.31Å; Y343-G345 PolarHBondContact O-N 3.44Å; G345-V348 VanDerWaalsContact O-CG1 3.3Å; G345-V348 WeakPolarHBondContact O-CG1 3.05Å; G345-M349 WeakPolarHBondContact O-CB 3.3Å; G345-M349 WeakPolarHBondContact O-CE 3.46Å; G345-M349 VanDerWaalsContact O-CG 3.23Å; G345-M349 WeakPolarHBondContact O-CG 3.48Å; G345-M349 PolarHBondContact O-N 3.11Å
346Q94.8Very high92.2Very high12 Ų1236.5 Ų36.56%0.05618%0.183CC..Hα-helixtrans-64.9-44.1174.9173.7176.3-13.700111.9A119 F120 F322 P342 Y343 V348 M349 V350A119-Q346 PolarHBondContact O-NE2 2.85Å; F120-Q346 HydrophobicContact CD1-CG 4.28Å; F120-Q346 HydrophobicContact CE1-CG 4Å; F322-Q346 HydrophobicContact CZ-CB 3.84Å; F322-Q346 HydrophobicContact CZ-CG 4.49Å; P342-Q346 PolarHBondContact O-N 3.04Å; Y343-Q346 PolarHBondContact O-N 3.23Å; Q346-V348 PolarHBondContact O-N 3.38Å; Q346-M349 PolarHBondContact O-N 3.21Å; Q346-V350 HydrophobicContact CG-CG2 3.99Å; Q346-V350 WeakPolarHBondContact O-CB 3.43Å; Q346-V350 WeakPolarHBondContact O-CG2 3.26Å; Q346-V350 PolarHBondContact O-N 3.22Å
347E95.8Very high94Very high84 Ų8434.5 Ų34.539%0.39317%0.17SC..Hα-helixtrans-59.4-48.7-177.8-179.8172.2-153.700111.5Y343 E344 M349 V350 R351Y343-E347 WeakPolarHBondContact O-CB 3.3Å; Y343-E347 PolarHBondContact O-N 3.16Å; E344-E347 PolarHBondContact O-N 3.44Å; E347-M349 VanDerWaalsContact C-N 3.32Å; E347-M349 PolarHBondContact O-N 3.22Å; E347-V350 PolarHBondContact O-N 2.91Å; E347-R351 WeakPolarHBondContact O-CB 3.5Å; E347-R351 VanDerWaalsContact O-CG 3.26Å; E347-R351 WeakPolarHBondContact O-CG 3.44Å; E347-R351 PolarHBondContact O-N 3.4Å; E347-R351 IonicContact OE1-CZ 3.07Å; E347-R351 IonicContact OE1-NE 3.42Å; E347-R351 PolarHBondContact OE1-NE 3.44Å; E347-R351 IonicContact OE1-NH1 3.87Å; E347-R351 IonicContact OE1-NH2 2.59Å; E347-R351 PolarHBondContact OE1-NH2 3.45Å
348V96.8Very high95.2Very high16 Ų1629 Ų2910%0.09715%0.15CC..Hα-helixtrans-63.2-40.217971.30000111.7V309 E344 G345 Q346 A352 L373 L381V309-V348 HydrophobicContact CG1-CG1 4.25Å; E344-V348 WeakPolarHBondContact O-CG1 3.43Å; E344-V348 PolarHBondContact O-N 3.06Å; G345-V348 VanDerWaalsContact O-CG1 3.3Å; G345-V348 WeakPolarHBondContact O-CG1 3.05Å; Q346-V348 PolarHBondContact O-N 3.38Å; V348-A352 WeakPolarHBondContact O-CB 3.1Å; V348-A352 PolarHBondContact O-N 2.95Å; V348-A352 VanDerWaalsContact O-N 3.11Å; V348-L373 HydrophobicContact CG2-CD1 4.29Å; V348-L373 HydrophobicContact CG2-CD2 4.34Å; V348-L381 HydrophobicContact CG2-CD1 3.7Å; V348-L381 HydrophobicContact CG2-CD2 4.05Å; V348-L381 HydrophobicContact CG2-CG 3.79Å
349M97.6Very high95.9Very high1 Ų132.7 Ų32.71%0.00516%0.163CC..Hα-helixtrans-65.8-49.4178-73-172.1-7900111.5F120 I280 V309 Q317 G345 Q346 E347 R351 A352 M353F120-M349 HydrophobicContact CE1-CB 4.05Å; F120-M349 HydrophobicContact CE1-CE 4.49Å; F120-M349 HydrophobicContact CZ-CB 4.41Å; F120-M349 HydrophobicContact CZ-CE 3.82Å; F120-M349 HydrophobicContact CZ-SD 4.23Å; I280-M349 HydrophobicContact CG2-CG 3.9Å; I280-M349 HydrophobicContact CG2-SD 4.15Å; V309-M349 HydrophobicContact CG2-CG 3.67Å; V309-M349 HydrophobicContact CG2-SD 4.04Å; Q317-M349 HydrophobicContact CG-CE 3.9Å; Q317-M349 HydrophobicContact CG-SD 3.57Å; Q317-M349 VanDerWaalsContact CG-SD 3.57Å; Q317-M349 PolarHBondContact NE2-SD 2.92Å; G345-M349 WeakPolarHBondContact O-CB 3.3Å; G345-M349 WeakPolarHBondContact O-CE 3.46Å; G345-M349 VanDerWaalsContact O-CG 3.23Å; G345-M349 WeakPolarHBondContact O-CG 3.48Å; G345-M349 PolarHBondContact O-N 3.11Å; Q346-M349 PolarHBondContact O-N 3.21Å; E347-M349 VanDerWaalsContact C-N 3.32Å; E347-M349 PolarHBondContact O-N 3.22Å; M349-R351 PolarHBondContact O-N 3.37Å; M349-A352 PolarHBondContact O-N 2.96Å; M349-M353 HydrophobicContact CB-CE 3.74Å; M349-M353 VanDerWaalsContact O-CG 3.22Å; M349-M353 WeakPolarHBondContact O-CG 3.49Å; M349-M353 PolarHBondContact O-N 3.31Å
350V97.8Very high96.3Very high4 Ų428.3 Ų28.32%0.02413%0.131CC..Hα-helixtrans-58.4-46.9177.9166.30000110.9F120 E123 Q346 E347 A352 M353 L354F120-V350 HydrophobicContact CD1-CG2 3.62Å; F120-V350 HydrophobicContact CE1-CG2 3.95Å; E123-V350 HydrophobicContact CB-CG2 4.37Å; E123-V350 HydrophobicContact CG-CB 4.3Å; E123-V350 HydrophobicContact CG-CG1 3.5Å; E123-V350 HydrophobicContact CG-CG2 4.06Å; Q346-V350 HydrophobicContact CG-CG2 3.99Å; Q346-V350 WeakPolarHBondContact O-CB 3.43Å; Q346-V350 WeakPolarHBondContact O-CG2 3.26Å; Q346-V350 PolarHBondContact O-N 3.22Å; E347-V350 PolarHBondContact O-N 2.91Å; V350-A352 VanDerWaalsContact C-N 3.29Å; V350-A352 PolarHBondContact O-N 3.11Å; V350-M353 CarbonylContact O-C 3.57Å; V350-M353 WeakPolarHBondContact O-CA 3.42Å; V350-M353 WeakPolarHBondContact O-CB 3.38Å; V350-M353 PolarHBondContact O-N 3.35Å; V350-M353 VanDerWaalsContact O-N 3.07Å; V350-L354 HydrophobicContact CG1-CD1 3.72Å; V350-L354 HydrophobicContact CG1-CG 4.05Å; V350-L354 WeakPolarHBondContact O-CG 3.09Å; V350-L354 PolarHBondContact O-N 3.5Å
351R98.1Very high96.6Very high91 Ų9127.4 Ų27.434%0.34313%0.126SC..Hα-helixtrans-59.6-42.1-179.7-73.3174.8176.4-171.6-3.2111.6E347 M349 L354 A355 W370 L373E347-R351 WeakPolarHBondContact O-CB 3.5Å; E347-R351 VanDerWaalsContact O-CG 3.26Å; E347-R351 WeakPolarHBondContact O-CG 3.44Å; E347-R351 PolarHBondContact O-N 3.4Å; E347-R351 IonicContact OE1-CZ 3.07Å; E347-R351 IonicContact OE1-NE 3.42Å; E347-R351 PolarHBondContact OE1-NE 3.44Å; E347-R351 IonicContact OE1-NH1 3.87Å; E347-R351 IonicContact OE1-NH2 2.59Å; E347-R351 PolarHBondContact OE1-NH2 3.45Å; M349-R351 PolarHBondContact O-N 3.37Å; R351-L354 PolarHBondContact O-N 3.2Å; R351-A355 PolarHBondContact O-N 3.37Å; R351-A355 VanDerWaalsContact O-N 3.09Å; R351-W370 HydrophobicContact CB-CB 4.28Å; R351-W370 HydrophobicContact CB-CD2 3.66Å; R351-W370 HydrophobicContact CB-CE3 3.88Å; R351-W370 HydrophobicContact CB-CG 3.84Å; R351-W370 HydrophobicContact CB-CZ3 4.49Å; R351-W370 HydrophobicContact CG-CD2 3.73Å; R351-W370 HydrophobicContact CG-CE3 4.01Å; R351-W370 HydrophobicContact CG-CG 4.25Å; R351-W370 HydrophobicContact CG-CH2 4.17Å; R351-W370 HydrophobicContact CG-CZ2 3.9Å; R351-W370 HydrophobicContact CG-CZ3 4.22Å; R351-L373 HydrophobicContact CB-CD1 3.51Å
352A98.5Very high96.8Very high0 Ų029.4 Ų29.40%014%0.137CC..Hα-helixtrans-62.8-42.9173.600000111.8F278 I307 V348 M349 V350 F356 L373F278-A352 HydrophobicContact CE1-CB 3.87Å; F278-A352 WeakPolarHBondContact CE1-O 3.22Å; F278-A352 HydrophobicContact CZ-CB 3.98Å; I307-A352 HydrophobicContact CD1-CB 4.15Å; V348-A352 WeakPolarHBondContact O-CB 3.1Å; V348-A352 PolarHBondContact O-N 2.95Å; V348-A352 VanDerWaalsContact O-N 3.11Å; M349-A352 PolarHBondContact O-N 2.96Å; V350-A352 VanDerWaalsContact C-N 3.29Å; V350-A352 PolarHBondContact O-N 3.11Å; A352-F356 PolarHBondContact O-N 3.03Å; A352-F356 VanDerWaalsContact O-N 3.11Å; A352-L373 HydrophobicContact CB-CB 3.79Å
353M98.6Very high97.1Very high0 Ų029.4 Ų29.40%014%0.136CC..Hα-helixtrans-59.9-47.3175.5-65.1177.4-144.400111.6F120 M233 V256 L258 I280 M349 V350 A355 F356 L357F120-M353 HydrophobicContact CD1-CE 3.69Å; F120-M353 HydrophobicContact CD1-SD 4.32Å; F120-M353 HydrophobicContact CE1-CE 3.36Å; F120-M353 HydrophobicContact CZ-CE 4.06Å; M233-M353 HydrophobicContact CE-CB 4.44Å; M233-M353 HydrophobicContact CE-CG 4.07Å; M233-M353 HydrophobicContact CE-SD 3.28Å; M233-M353 WeakPolarHBondContact CE-SD 3.42Å; V256-M353 HydrophobicContact CG1-CG 4Å; V256-M353 HydrophobicContact CG1-SD 4.5Å; L258-M353 HydrophobicContact CD1-CE 3.92Å; L258-M353 HydrophobicContact CD2-CE 3.34Å; L258-M353 HydrophobicContact CD2-SD 4.12Å; L258-M353 HydrophobicContact CG-CE 4.27Å; I280-M353 HydrophobicContact CD1-CE 4.12Å; I280-M353 HydrophobicContact CD1-CG 3.57Å; M349-M353 HydrophobicContact CB-CE 3.74Å; M349-M353 VanDerWaalsContact O-CG 3.22Å; M349-M353 WeakPolarHBondContact O-CG 3.49Å; M349-M353 PolarHBondContact O-N 3.31Å; V350-M353 CarbonylContact O-C 3.57Å; V350-M353 WeakPolarHBondContact O-CA 3.42Å; V350-M353 WeakPolarHBondContact O-CB 3.38Å; V350-M353 PolarHBondContact O-N 3.35Å; V350-M353 VanDerWaalsContact O-N 3.07Å; M353-A355 PolarHBondContact O-N 3.26Å; M353-F356 PolarHBondContact O-N 3.37Å; M353-L357 WeakPolarHBondContact O-CB 3.47Å; M353-L357 WeakPolarHBondContact O-CG 3.16Å; M353-L357 PolarHBondContact O-N 3.08Å
354L98.8Very high97.1Very high1 Ų135.6 Ų35.61%0.00516%0.164CC..Hα-helixtrans-61.7-43.6-178.7-72173.2000111.8L124 R127 F129 V350 R351 F356 L357 Q358 Y367 W370L124-L354 HydrophobicContact CD2-CD2 3.95Å; R127-L354 HydrophobicContact CB-CD2 4Å; R127-L354 HydrophobicContact CG-CD1 3.93Å; R127-L354 HydrophobicContact CG-CD2 4.28Å; F129-L354 HydrophobicContact CD2-CD2 4.44Å; F129-L354 HydrophobicContact CE2-CD2 3.65Å; F129-L354 HydrophobicContact CZ-CD2 4.34Å; V350-L354 HydrophobicContact CG1-CD1 3.72Å; V350-L354 HydrophobicContact CG1-CG 4.05Å; V350-L354 WeakPolarHBondContact O-CG 3.09Å; V350-L354 PolarHBondContact O-N 3.5Å; R351-L354 PolarHBondContact O-N 3.2Å; L354-F356 PolarHBondContact O-N 3.44Å; L354-L357 PolarHBondContact O-N 2.83Å; L354-Q358 WeakPolarHBondContact O-CB 3.18Å; L354-Q358 PolarHBondContact O-N 3.23Å; L354-Y367 HydrophobicContact CB-CD1 4.27Å; L354-Y367 HydrophobicContact CB-CD2 3.84Å; L354-Y367 HydrophobicContact CB-CE2 4.37Å; L354-Y367 HydrophobicContact CB-CG 3.8Å; L354-Y367 HydrophobicContact CD1-CD1 4.37Å; L354-Y367 HydrophobicContact CD1-CE1 4.23Å; L354-Y367 HydrophobicContact CD2-CD2 4.13Å; L354-Y367 HydrophobicContact CD2-CE2 3.82Å; L354-Y367 HydrophobicContact CG-CD2 4.47Å; L354-W370 HydrophobicContact CB-CE3 4.2Å; L354-W370 HydrophobicContact CB-CZ3 4.01Å; L354-W370 HydrophobicContact CD1-CE3 4.47Å; L354-W370 HydrophobicContact CD1-CH2 4.3Å; L354-W370 HydrophobicContact CD1-CZ3 3.62Å; L354-W370 HydrophobicContact CG-CZ3 4.49Å
355A98.6Very high97.2Very high0 Ų034.1 Ų34.10%016%0.157CC..Hα-helixtrans-61.3-44.417600000111.6R351 M353 K359 Y367 W370 I374R351-A355 PolarHBondContact O-N 3.37Å; R351-A355 VanDerWaalsContact O-N 3.09Å; M353-A355 PolarHBondContact O-N 3.26Å; A355-K359 PolarHBondContact O-N 3.08Å; A355-K359 VanDerWaalsContact O-N 3.17Å; A355-Y367 VanDerWaalsContact CB-O 3.29Å; A355-Y367 WeakPolarHBondContact CB-O 2.9Å; A355-W370 HydrophobicContact CB-CB 4.08Å; A355-I374 HydrophobicContact CB-CD1 3.64Å; A355-I374 HydrophobicContact CB-CG1 3.84Å
356F98.8Very high97.3Very high1 Ų138.2 Ų38.20%0.00418%0.178CC..Hα-helixtrans-65.4-46.5177.2-177.3-96.2000112.1C254 V256 P276 F278 A352 M353 L354 Q358 K359 H360 I374C254-F356 HydrophobicContact CB-CE1 3.83Å; C254-F356 HydrophobicContact CB-CZ 4.27Å; V256-F356 HydrophobicContact CG2-CD1 3.86Å; V256-F356 HydrophobicContact CG2-CE1 4.19Å; P276-F356 HydrophobicContact CB-CE2 4.23Å; P276-F356 HydrophobicContact CB-CZ 3.85Å; P276-F356 HydrophobicContact CG-CZ 4.15Å; F278-F356 HydrophobicContact CB-CD1 3.66Å; F278-F356 HydrophobicContact CB-CD2 3.7Å; F278-F356 HydrophobicContact CB-CE1 3.59Å; F278-F356 HydrophobicContact CB-CE2 3.64Å; F278-F356 HydrophobicContact CB-CG 3.71Å; F278-F356 HydrophobicContact CB-CZ 3.58Å; F278-F356 HydrophobicContact CD1-CB 3.6Å; F278-F356 HydrophobicContact CD1-CD1 4.11Å; F278-F356 HydrophobicContact CD1-CD2 4.07Å; F278-F356 AromaticContact CD1-CG 3.66Å; F278-F356 HydrophobicContact CD1-CG 3.66Å; F278-F356 HydrophobicContact CE1-CB 4.03Å; F278-F356 HydrophobicContact CE1-CG 4.5Å; F278-F356 HydrophobicContact CG-CB 4.31Å; F278-F356 HydrophobicContact CG-CD1 4.29Å; F278-F356 AromaticContact CG-CD2 3.9Å; F278-F356 HydrophobicContact CG-CD2 3.9Å; F278-F356 HydrophobicContact CG-CE2 4.28Å; F278-F356 AromaticContact CG-CG 3.9Å; F278-F356 HydrophobicContact CG-CG 3.9Å; A352-F356 PolarHBondContact O-N 3.03Å; A352-F356 VanDerWaalsContact O-N 3.11Å; M353-F356 PolarHBondContact O-N 3.37Å; L354-F356 PolarHBondContact O-N 3.44Å; F356-Q358 VanDerWaalsContact C-N 3.34Å; F356-Q358 PolarHBondContact O-N 3.36Å; F356-K359 PolarHBondContact O-N 3.14Å; F356-H360 AromaticContact CD1-CD2 3.9Å; F356-H360 AromaticContact CD2-CD2 3.45Å; F356-H360 VanDerWaalsContact CD2-CD2 3.45Å; F356-H360 WeakPolarHBondContact CD2-CD2 3.33Å; F356-H360 AromaticContact CD2-NE2 3.54Å; F356-H360 AromaticContact CE1-CD2 3.71Å; F356-H360 AromaticContact CE2-CD2 3.23Å; F356-H360 WeakPolarHBondContact CE2-CD2 3.33Å; F356-H360 AromaticContact CE2-NE2 3.2Å; F356-H360 WeakPolarHBondContact CE2-NE2 3.33Å; F356-H360 AromaticContact CG-CD2 3.79Å; F356-H360 AromaticContact CZ-CD2 3.37Å; F356-H360 WeakPolarHBondContact CZ-CD2 3.37Å; F356-H360 AromaticContact CZ-NE2 3.77Å; F356-H360 PolarHBondContact O-CD2 3.43Å; F356-H360 PolarHBondContact O-N 2.88Å; F356-I374 HydrophobicContact CB-CD1 4.23Å; F356-I374 HydrophobicContact CB-CG1 4.38Å; F356-I374 HydrophobicContact CD2-CG2 4.46Å
357L98.8Very high97.5Very high0 Ų037.9 Ų37.90%018%0.176CC..Hα-helixtrans-61.2-42.2177.7-71.7168000111.3I104 L124 F129 A231 M233 V256 M353 L354 K359 H360 L361I104-L357 HydrophobicContact CD1-CD1 3.92Å; L124-L357 HydrophobicContact CD2-CD1 4.11Å; F129-L357 HydrophobicContact CE1-CB 4.35Å; F129-L357 HydrophobicContact CE1-CD1 4.1Å; F129-L357 HydrophobicContact CZ-CB 4.08Å; F129-L357 HydrophobicContact CZ-CD1 3.98Å; A231-L357 HydrophobicContact CB-CD2 3.6Å; M233-L357 HydrophobicContact SD-CD1 4.32Å; V256-L357 HydrophobicContact CG2-CD2 4.42Å; M353-L357 WeakPolarHBondContact O-CB 3.47Å; M353-L357 WeakPolarHBondContact O-CG 3.16Å; M353-L357 PolarHBondContact O-N 3.08Å; L354-L357 PolarHBondContact O-N 2.83Å; L357-K359 PolarHBondContact O-N 3.12Å; L357-H360 PolarHBondContact O-N 3.15Å; L357-L361 HydrophobicContact CB-CD1 4.37Å; L357-L361 HydrophobicContact CD2-CD1 4.01Å; L357-L361 VanDerWaalsContact O-CB 3.23Å; L357-L361 WeakPolarHBondContact O-CB 3.44Å; L357-L361 WeakPolarHBondContact O-CG 3.43Å; L357-L361 PolarHBondContact O-N 3.01Å
358Q98.4Very high97.5Very high20 Ų2038.1 Ų38.19%0.09318%0.18CC..Hα-helixtrans-57.3-49.8175.6169.6156.7-51.300111.9L354 F356 H360 D362 L363 E365 Y367 D368L354-Q358 WeakPolarHBondContact O-CB 3.18Å; L354-Q358 PolarHBondContact O-N 3.23Å; F356-Q358 VanDerWaalsContact C-N 3.34Å; F356-Q358 PolarHBondContact O-N 3.36Å; Q358-H360 PolarHBondContact O-N 3.2Å; Q358-D362 PolarHBondContact O-N 3.13Å; Q358-L363 HydrophobicContact CB-CB 4.19Å; Q358-L363 HydrophobicContact CB-CD1 4.44Å; Q358-L363 HydrophobicContact CG-CB 4.16Å; Q358-L363 PolarHBondContact O-N 3.29Å; Q358-E365 PolarHBondContact NE2-O 3.43Å; Q358-E365 VanDerWaalsContact OE1-CB 3.31Å; Q358-E365 PolarHBondContact OE1-O 3.27Å; Q358-Y367 HydrophobicContact CB-CD2 4.22Å; Q358-Y367 VanDerWaalsContact OE1-N 3.12Å; Q358-D368 VanDerWaalsContact NE2-N 3.14Å; Q358-D368 PolarHBondContact NE2-OD1 3.19Å; Q358-D368 VanDerWaalsContact NE2-OD1 3.16Å
359K97.5Very high97.5Very high92 Ų9242.4 Ų42.440%0.420%0.199SC..Hα-helixtrans-60.4-32.5-179-173.3176.9-179.41780113.2A355 F356 L357A355-K359 PolarHBondContact O-N 3.08Å; A355-K359 VanDerWaalsContact O-N 3.17Å; F356-K359 PolarHBondContact O-N 3.14Å; L357-K359 PolarHBondContact O-N 3.12Å
360H98.1Very high97.5Very high11 Ų1143.7 Ų43.75%0.05120%0.204CC..Hα-helixtrans-108.9-9.5-170.8-61.5-53.2000115.1R253 C254 P276 Q303 F356 L357 Q358R253-H360 PolarHBondContact NE-O 2.95Å; R253-H360 PolarHBondContact NH2-O 3.3Å; C254-H360 HydrophobicContact CB-CB 3.74Å; P276-H360 HydrophobicContact CG-CB 4.23Å; P276-H360 WeakPolarHBondContact CG-ND1 3.47Å; Q303-H360 PolarHBondContact OE1-CE1 2.71Å; Q303-H360 PolarHBondContact OE1-ND1 2.73Å; F356-H360 AromaticContact CD1-CD2 3.9Å; F356-H360 AromaticContact CD2-CD2 3.45Å; F356-H360 VanDerWaalsContact CD2-CD2 3.45Å; F356-H360 WeakPolarHBondContact CD2-CD2 3.33Å; F356-H360 AromaticContact CD2-NE2 3.54Å; F356-H360 AromaticContact CE1-CD2 3.71Å; F356-H360 AromaticContact CE2-CD2 3.23Å; F356-H360 WeakPolarHBondContact CE2-CD2 3.33Å; F356-H360 AromaticContact CE2-NE2 3.2Å; F356-H360 WeakPolarHBondContact CE2-NE2 3.33Å; F356-H360 AromaticContact CG-CD2 3.79Å; F356-H360 AromaticContact CZ-CD2 3.37Å; F356-H360 WeakPolarHBondContact CZ-CD2 3.37Å; F356-H360 AromaticContact CZ-NE2 3.77Å; F356-H360 PolarHBondContact O-CD2 3.43Å; F356-H360 PolarHBondContact O-N 2.88Å; L357-H360 PolarHBondContact O-N 3.15Å; Q358-H360 PolarHBondContact O-N 3.2Å
361L98.1Very high97.5Very high0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-110.46.4172.5-57.6-179.6000113P102 F129 R229 A231 R253 L357 L363P102-L361 HydrophobicContact CB-CD1 4.28Å; F129-L361 HydrophobicContact CE1-CD1 4.04Å; R229-L361 HydrophobicContact CB-CB 4.32Å; R229-L361 VanDerWaalsContact CD-O 3.25Å; R229-L361 WeakPolarHBondContact CD-O 3.34Å; R229-L361 WeakPolarHBondContact CG-O 3.35Å; R229-L361 PolarHBondContact NE-O 2.55Å; A231-L361 HydrophobicContact CB-CD1 4.1Å; A231-L361 HydrophobicContact CB-CD2 4.34Å; R253-L361 HydrophobicContact CB-CD2 3.77Å; R253-L361 HydrophobicContact CG-CD2 4.36Å; L357-L361 HydrophobicContact CB-CD1 4.37Å; L357-L361 HydrophobicContact CD2-CD1 4.01Å; L357-L361 VanDerWaalsContact O-CB 3.23Å; L357-L361 WeakPolarHBondContact O-CB 3.44Å; L357-L361 WeakPolarHBondContact O-CG 3.43Å; L357-L361 PolarHBondContact O-N 3.01Å; L361-L363 VanDerWaalsContact C-N 3.29Å; L361-L363 HydrophobicContact CB-CD2 3.88Å; L361-L363 HydrophobicContact CB-CG 3.96Å; L361-L363 PolarHBondContact O-N 2.92Å
362D95.6Very high97.5Very high89 Ų8945.9 Ų45.948%0.47622%0.222SC..THydrogen-bonded Turntrans53.344.3-177.8-51.3-47.3000112.7R253 Q358R253-D362 IonicContact CZ-OD2 2.71Å; R253-D362 IonicContact NH1-OD2 3.15Å; R253-D362 PolarHBondContact NH1-OD2 2.87Å; R253-D362 IonicContact NH2-OD1 3.74Å; R253-D362 IonicContact NH2-OD2 3.29Å; R253-D362 PolarHBondContact NH2-OD2 2.77Å; Q358-D362 PolarHBondContact O-N 3.13Å
363L96.4Very high97.5Very high19 Ų1946.4 Ų46.410%0.09923%0.225CC..  trans-73.7147177.9-50.5180000110.2P102 F129 Q358 L361 E365P102-L363 HydrophobicContact CB-CD2 4.16Å; P102-L363 HydrophobicContact CG-CD2 3.99Å; F129-L363 HydrophobicContact CE1-CD1 3.86Å; F129-L363 HydrophobicContact CE2-CD1 4.25Å; F129-L363 HydrophobicContact CZ-CD1 3.34Å; Q358-L363 HydrophobicContact CB-CB 4.19Å; Q358-L363 HydrophobicContact CB-CD1 4.44Å; Q358-L363 HydrophobicContact CG-CB 4.16Å; Q358-L363 PolarHBondContact O-N 3.29Å; L361-L363 VanDerWaalsContact C-N 3.29Å; L361-L363 HydrophobicContact CB-CD2 3.88Å; L361-L363 HydrophobicContact CB-CG 3.96Å; L361-L363 PolarHBondContact O-N 2.92Å; L363-E365 HydrophobicContact CB-CG 4.35Å
364K94.6Very high97.5Very high188 Ų18846.7 Ų46.782%0.81723%0.226SC*.  trans-107.351.7178.2-62.4-175.6178.9-178.90110.2
365E95.4Very high97.4Very high83 Ų8350.3 Ų50.339%0.38824%0.243SC..SBendtrans-110.9-177.5175.1-48.3-63.7158.200108.9Q358 L363 Y367Q358-E365 PolarHBondContact NE2-O 3.43Å; Q358-E365 VanDerWaalsContact OE1-CB 3.31Å; Q358-E365 PolarHBondContact OE1-O 3.27Å; L363-E365 HydrophobicContact CB-CG 4.35Å; E365-Y367 HydrophobicContact CB-CD1 4.3Å; E365-Y367 HydrophobicContact CB-CD2 3.82Å; E365-Y367 HydrophobicContact CB-CE1 4.18Å; E365-Y367 HydrophobicContact CB-CE2 3.67Å; E365-Y367 HydrophobicContact CB-CG 4.13Å; E365-Y367 HydrophobicContact CG-CD2 4.27Å; E365-Y367 HydrophobicContact CG-CE2 3.73Å
366D96.8Very high97.3Very high91 Ų9150.4 Ų50.449%0.48725%0.245SC..SBendtrans-97.721.3-179.366.8-20.1000113D368 Q369D366-D368 VanDerWaalsContact C-OD1 3.28Å; D366-D368 PolarHBondContact O-N 2.85Å; D366-Q369 WeakPolarHBondContact O-CB 3.19Å; D366-Q369 WeakPolarHBondContact O-CG 3.3Å; D366-Q369 PolarHBondContact O-N 2.82Å; D366-Q369 PolarHBondContact O-NE2 2.72Å; D366-Q369 PolarHBondContact OD2-NE2 3.13Å
367Y97.8Very high97.1Very high5 Ų555.6 Ų55.62%0.0227%0.271CS..G310 helixtrans-72.1-11.5-174.4-54.1-32000113.8R127 F129 L354 A355 Q358 E365 Q369 W370R127-Y367 WeakPolarHBondContact CB-OH 3.38Å; R127-Y367 WeakPolarHBondContact CD-OH 3.38Å; R127-Y367 PolarHBondContact O-OH 3.21Å; F129-Y367 HydrophobicContact CE2-CE2 4.33Å; L354-Y367 HydrophobicContact CB-CD1 4.27Å; L354-Y367 HydrophobicContact CB-CD2 3.84Å; L354-Y367 HydrophobicContact CB-CE2 4.37Å; L354-Y367 HydrophobicContact CB-CG 3.8Å; L354-Y367 HydrophobicContact CD1-CD1 4.37Å; L354-Y367 HydrophobicContact CD1-CE1 4.23Å; L354-Y367 HydrophobicContact CD2-CD2 4.13Å; L354-Y367 HydrophobicContact CD2-CE2 3.82Å; L354-Y367 HydrophobicContact CG-CD2 4.47Å; A355-Y367 VanDerWaalsContact CB-O 3.29Å; A355-Y367 WeakPolarHBondContact CB-O 2.9Å; Q358-Y367 HydrophobicContact CB-CD2 4.22Å; Q358-Y367 VanDerWaalsContact OE1-N 3.12Å; E365-Y367 HydrophobicContact CB-CD1 4.3Å; E365-Y367 HydrophobicContact CB-CD2 3.82Å; E365-Y367 HydrophobicContact CB-CE1 4.18Å; E365-Y367 HydrophobicContact CB-CE2 3.67Å; E365-Y367 HydrophobicContact CB-CG 4.13Å; E365-Y367 HydrophobicContact CG-CD2 4.27Å; E365-Y367 HydrophobicContact CG-CE2 3.73Å; Y367-Q369 PolarHBondContact O-N 2.61Å; Y367-W370 HydrophobicContact CD1-CE3 4.19Å; Y367-W370 HydrophobicContact CD1-CH2 4.03Å; Y367-W370 AromaticContact CD1-CZ3 3.39Å; Y367-W370 HydrophobicContact CD1-CZ3 3.39Å; Y367-W370 HydrophobicContact CE1-CH2 4.44Å; Y367-W370 HydrophobicContact CE1-CZ3 4.08Å; Y367-W370 HydrophobicContact CG-CZ3 4.06Å; Y367-W370 PolarHBondContact O-N 3.27Å; Y367-W370 VanDerWaalsContact O-N 3.09Å
368D96.6Very high96.8Very high88 Ų8856.9 Ų56.947%0.47128%0.284SS..G310 helixtrans-62.8-19.4172.161.7-58000112.9Q358 D366 W370 N371Q358-D368 VanDerWaalsContact NE2-N 3.14Å; Q358-D368 PolarHBondContact NE2-OD1 3.19Å; Q358-D368 VanDerWaalsContact NE2-OD1 3.16Å; D366-D368 VanDerWaalsContact C-OD1 3.28Å; D366-D368 PolarHBondContact O-N 2.85Å; D368-W370 PolarHBondContact O-N 3.06Å; D368-N371 WeakPolarHBondContact CB-ND2 3.15Å; D368-N371 VanDerWaalsContact O-CB 3.29Å; D368-N371 WeakPolarHBondContact O-CB 3Å; D368-N371 PolarHBondContact O-N 2.94Å; D368-N371 PolarHBondContact O-ND2 3.48Å; D368-N371 VanDerWaalsContact O-ND2 3.14Å
369Q97.4Very high96.5Very high107 Ų10760.9 Ų60.950%0.531%0.312SS..G310 helixtrans-57.7-19.6170.477.9-172.9-8700113.2D366 Y367D366-Q369 WeakPolarHBondContact O-CB 3.19Å; D366-Q369 WeakPolarHBondContact O-CG 3.3Å; D366-Q369 PolarHBondContact O-N 2.82Å; D366-Q369 PolarHBondContact O-NE2 2.72Å; D366-Q369 PolarHBondContact OD2-NE2 3.13Å; Y367-Q369 PolarHBondContact O-N 2.61Å
370W97.9Very high96.3Very high28 Ų2858.7 Ų58.711%0.10631%0.309CS..G310 helixtrans-10716.4177.7-54.7-46.7000113.8R351 L354 A355 Y367 D368 N372 L373R351-W370 HydrophobicContact CB-CB 4.28Å; R351-W370 HydrophobicContact CB-CD2 3.66Å; R351-W370 HydrophobicContact CB-CE3 3.88Å; R351-W370 HydrophobicContact CB-CG 3.84Å; R351-W370 HydrophobicContact CB-CZ3 4.49Å; R351-W370 HydrophobicContact CG-CD2 3.73Å; R351-W370 HydrophobicContact CG-CE3 4.01Å; R351-W370 HydrophobicContact CG-CG 4.25Å; R351-W370 HydrophobicContact CG-CH2 4.17Å; R351-W370 HydrophobicContact CG-CZ2 3.9Å; R351-W370 HydrophobicContact CG-CZ3 4.22Å; L354-W370 HydrophobicContact CB-CE3 4.2Å; L354-W370 HydrophobicContact CB-CZ3 4.01Å; L354-W370 HydrophobicContact CD1-CE3 4.47Å; L354-W370 HydrophobicContact CD1-CH2 4.3Å; L354-W370 HydrophobicContact CD1-CZ3 3.62Å; L354-W370 HydrophobicContact CG-CZ3 4.49Å; A355-W370 HydrophobicContact CB-CB 4.08Å; Y367-W370 HydrophobicContact CD1-CE3 4.19Å; Y367-W370 HydrophobicContact CD1-CH2 4.03Å; Y367-W370 AromaticContact CD1-CZ3 3.39Å; Y367-W370 HydrophobicContact CD1-CZ3 3.39Å; Y367-W370 HydrophobicContact CE1-CH2 4.44Å; Y367-W370 HydrophobicContact CE1-CZ3 4.08Å; Y367-W370 HydrophobicContact CG-CZ3 4.06Å; Y367-W370 PolarHBondContact O-N 3.27Å; Y367-W370 VanDerWaalsContact O-N 3.09Å; D368-W370 PolarHBondContact O-N 3.06Å; W370-N372 VanDerWaalsContact C-OD1 3.31Å; W370-N372 WeakPolarHBondContact CA-OD1 3.26Å; W370-N372 PolarHBondContact O-N 3.21Å; W370-N372 VanDerWaalsContact O-N 3.12Å; W370-N372 PolarHBondContact O-OD1 3.32Å; W370-L373 HydrophobicContact CB-CD1 3.94Å; W370-L373 HydrophobicContact CB-CG 4.19Å; W370-L373 HydrophobicContact CG-CD1 4.29Å; W370-L373 WeakPolarHBondContact O-CB 3.34Å; W370-L373 PolarHBondContact O-N 2.97Å
371N97.7Very high96.2Very high71 Ų7158.9 Ų58.938%0.3831%0.31SS..Hα-helixtrans-56.5-28.9179-81.4-23.5000113.5D368 L373 I374D368-N371 WeakPolarHBondContact CB-ND2 3.15Å; D368-N371 VanDerWaalsContact O-CB 3.29Å; D368-N371 WeakPolarHBondContact O-CB 3Å; D368-N371 PolarHBondContact O-N 2.94Å; D368-N371 PolarHBondContact O-ND2 3.48Å; D368-N371 VanDerWaalsContact O-ND2 3.14Å; N371-L373 PolarHBondContact O-N 3.08Å; N371-I374 WeakPolarHBondContact O-CB 3.44Å; N371-I374 PolarHBondContact O-N 2.77Å
372N97.8Very high96.1Very high70 Ų7059.4 Ų59.437%0.37431%0.313SS..Hα-helixtrans-60-33.917463.6-46.3000112.6W370 I374 E375 G376 I377W370-N372 VanDerWaalsContact C-OD1 3.31Å; W370-N372 WeakPolarHBondContact CA-OD1 3.26Å; W370-N372 PolarHBondContact O-N 3.21Å; W370-N372 VanDerWaalsContact O-N 3.12Å; W370-N372 PolarHBondContact O-OD1 3.32Å; N372-I374 VanDerWaalsContact C-N 3.3Å; N372-I374 PolarHBondContact O-N 2.89Å; N372-E375 CarbonylContact O-C 3.54Å; N372-E375 PolarHBondContact O-N 3.24Å; N372-E375 VanDerWaalsContact O-N 3.15Å; N372-G376 PolarHBondContact O-N 3.19Å; N372-I377 CarbonylContact C-O 3.54Å; N372-I377 HydrophobicContact CB-CB 4.18Å; N372-I377 PolarHBondContact ND2-O 3.27Å; N372-I377 WeakPolarHBondContact O-CB 3.26Å; N372-I377 PolarHBondContact O-N 3.16Å
373L98.1Very high96.1Very high11 Ų1159.2 Ų59.26%0.05832%0.317CS..Hα-helixtrans-68.4-30.6179.7-54-174.9000112V348 R351 A352 W370 N371 E375 G376 L381V348-L373 HydrophobicContact CG2-CD1 4.29Å; V348-L373 HydrophobicContact CG2-CD2 4.34Å; R351-L373 HydrophobicContact CB-CD1 3.51Å; A352-L373 HydrophobicContact CB-CB 3.79Å; W370-L373 HydrophobicContact CB-CD1 3.94Å; W370-L373 HydrophobicContact CB-CG 4.19Å; W370-L373 HydrophobicContact CG-CD1 4.29Å; W370-L373 WeakPolarHBondContact O-CB 3.34Å; W370-L373 PolarHBondContact O-N 2.97Å; N371-L373 PolarHBondContact O-N 3.08Å; L373-E375 PolarHBondContact O-N 3.24Å; L373-G376 PolarHBondContact O-N 3.25Å; L373-L381 HydrophobicContact CB-CD1 3.98Å; L373-L381 HydrophobicContact CD2-CD1 3.77Å; L373-L381 HydrophobicContact CG-CD1 4.42Å
374I97.7Very high95.9Very high5 Ų559.5 Ų59.53%0.02632%0.324CS..Hα-helixtrans-61.5-34.8173.9-57.3175.1000110.9F278 R305 I307 A355 F356 N371 N372 G376F278-I374 HydrophobicContact CE2-CG2 4.36Å; F278-I374 HydrophobicContact CZ-CG2 4.45Å; R305-I374 HydrophobicContact CB-CG2 4.18Å; R305-I374 HydrophobicContact CG-CG2 3.72Å; I307-I374 VanDerWaalsContact CG2-O 3.28Å; I307-I374 WeakPolarHBondContact CG2-O 3.26Å; A355-I374 HydrophobicContact CB-CD1 3.64Å; A355-I374 HydrophobicContact CB-CG1 3.84Å; F356-I374 HydrophobicContact CB-CD1 4.23Å; F356-I374 HydrophobicContact CB-CG1 4.38Å; F356-I374 HydrophobicContact CD2-CG2 4.46Å; N371-I374 WeakPolarHBondContact O-CB 3.44Å; N371-I374 PolarHBondContact O-N 2.77Å; N372-I374 VanDerWaalsContact C-N 3.3Å; N372-I374 PolarHBondContact O-N 2.89Å; I374-G376 VanDerWaalsContact C-N 3.25Å; I374-G376 PolarHBondContact O-N 2.91Å
375E97.1Very high95.5Very high77 Ų7750.9 Ų50.936%0.3629%0.288SS..THydrogen-bonded Turntrans-87.88.8178.3-56.5-60.5163.300112.4R305 N372 L373 I377R305-E375 IonicContact CZ-OE1 3.37Å; R305-E375 IonicContact CZ-OE2 3.51Å; R305-E375 IonicContact NE-OE1 3.36Å; R305-E375 PolarHBondContact NE-OE1 3.13Å; R305-E375 IonicContact NE-OE2 3.39Å; R305-E375 PolarHBondContact NE-OE2 3.18Å; R305-E375 IonicContact NH2-OE1 2.8Å; R305-E375 PolarHBondContact NH2-OE1 2.94Å; R305-E375 IonicContact NH2-OE2 2.69Å; N372-E375 CarbonylContact O-C 3.54Å; N372-E375 PolarHBondContact O-N 3.24Å; N372-E375 VanDerWaalsContact O-N 3.15Å; L373-E375 PolarHBondContact O-N 3.24Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 HydrophobicContact CB-CD1 4.08Å; E375-I377 HydrophobicContact CB-CG1 4.2Å; E375-I377 PolarHBondContact O-N 3.44Å
376G96.1Very high94.9Very high3 Ų346.9 Ų46.93%0.03127%0.27CS..THydrogen-bonded Turntrans71.219.8-179.700000113.8N372 L373 I374 L381N372-G376 PolarHBondContact O-N 3.19Å; L373-G376 PolarHBondContact O-N 3.25Å; I374-G376 VanDerWaalsContact C-N 3.25Å; I374-G376 PolarHBondContact O-N 2.91Å; G376-L381 CarbonylContact O-C 3.56Å
377I96.2Very high93.9Very high109 Ų10947.8 Ų47.856%0.55927%0.271SS*.  trans-99.895.5-178.8-54.9171.6000108.9N372 E375N372-I377 CarbonylContact C-O 3.54Å; N372-I377 HydrophobicContact CB-CB 4.18Å; N372-I377 PolarHBondContact ND2-O 3.27Å; N372-I377 WeakPolarHBondContact O-CB 3.26Å; N372-I377 PolarHBondContact O-N 3.16Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 HydrophobicContact CB-CD1 4.08Å; E375-I377 HydrophobicContact CB-CG1 4.2Å; E375-I377 PolarHBondContact O-N 3.44Å
378G92.3Very high93Very high27 Ų2752.7 Ų52.728%0.27829%0.293SS..SBendtrans179.7174.5178.100000112.2S380 L381G378-S380 PolarHBondContact O-N 2.89Å; G378-L381 PolarHBondContact O-N 3.34Å
379P90.8Very high92Very high104 Ų10449.5 Ų49.568%0.67528%0.276SS*.THydrogen-bonded Turntrans-60.4135.4173.826.9-33.1000109.8L381P379-L381 PolarHBondContact O-N 3.14Å; P379-L381 VanDerWaalsContact O-N 3.14Å
380S93.1Very high90.2Very high47 Ų4747.2 Ų47.233%0.32927%0.272SS..THydrogen-bonded Turntrans5923178.2-50.90000114.6V309 L310 L340 G378V309-S380 CarbonylContact C-O 3.54Å; V309-S380 WeakPolarHBondContact CA-O 3.26Å; L310-S380 PolarHBondContact N-O 3.29Å; L340-S380 WeakPolarHBondContact CD1-OG 3.33Å; G378-S380 PolarHBondContact O-N 2.89Å
381L96.3Very high88Confident14 Ų1450.3 Ų50.37%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-118.4149.7172.6-67-177.2000111I307 T308 V309 V348 L373 G376 G378 P379I307-L381 HydrophobicContact CD1-CD1 4.47Å; I307-L381 HydrophobicContact CD1-CD2 4.13Å; T308-L381 WeakPolarHBondContact O-CA 3.39Å; V309-L381 HydrophobicContact CB-CD2 4.33Å; V309-L381 HydrophobicContact CG2-CD2 3.8Å; V348-L381 HydrophobicContact CG2-CD1 3.7Å; V348-L381 HydrophobicContact CG2-CD2 4.05Å; V348-L381 HydrophobicContact CG2-CG 3.79Å; L373-L381 HydrophobicContact CB-CD1 3.98Å; L373-L381 HydrophobicContact CD2-CD1 3.77Å; L373-L381 HydrophobicContact CG-CD1 4.42Å; G376-L381 CarbonylContact O-C 3.56Å; G378-L381 PolarHBondContact O-N 3.34Å; P379-L381 PolarHBondContact O-N 3.14Å; P379-L381 VanDerWaalsContact O-N 3.14Å
382T96.1Very high85.4Confident12 Ų1256.1 Ų56.17%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-137.7141166.8-1710000109.7T308 L310 H387T308-T382 HydrophobicContact CG2-CG2 4.3Å; T308-T382 PolarHBondContact N-O 3.26Å; T308-T382 PolarHBondContact O-N 3.45Å; L310-T382 HydrophobicContact CD2-CG2 3.75Å; L310-T382 HydrophobicContact CG-CG2 4.25Å; T382-H387 PolarHBondContact OG1-CE1 3.3Å; T382-H387 PolarHBondContact OG1-NE2 3.16Å
383P96Very high84.8Confident84 Ų8455.5 Ų55.555%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-65.1142.4174.225.5-33.4000111.1
384G92.7Very high84.1Confident25 Ų2557.8 Ų57.826%0.25834%0.34SS..SBendtrans77.7-152.3176.500000113.9I306 I307 T308I306-G384 WeakPolarHBondContact O-CA 3.48Å; I306-G384 PolarHBondContact O-N 2.9Å; I307-G384 CarbonylContact C-O 3.59Å; T308-G384 PolarHBondContact N-O 3.22Å; T308-G384 PolarHBondContact OG1-O 3.17Å
385A85.9Confident83.3Confident7 Ų760.7 Ų60.76%0.05836%0.357CS..SBendtrans-80.7163.2-176.900000112.1V291 H387V291-A385 HydrophobicContact CB-CB 4.23Å; V291-A385 HydrophobicContact CG1-CB 3.43Å; V291-A385 VanDerWaalsContact CG1-CB 3.43Å; V291-A385 HydrophobicContact CG2-CB 3.7Å; A385-H387 PolarHBondContact O-N 3.18Å
386P81.7Confident82.5Confident0 Ų059.8 Ų59.80%036%0.357CS..  trans-51.5141.2174.7-25.532.7000112.2Q286 T308 H388 L389 S390Q286-P386 HydrophobicContact CB-CG 4.19Å; T308-P386 HydrophobicContact CG2-CB 4.26Å; T308-P386 HydrophobicContact CG2-CG 3.82Å; T308-P386 WeakPolarHBondContact OG1-CD 3.23Å; P386-H388 VanDerWaalsContact C-N 3.26Å; P386-H388 VanDerWaalsContact CB-CE1 3.41Å; P386-H388 WeakPolarHBondContact CB-CE1 3.3Å; P386-H388 PolarHBondContact O-N 3.31Å; P386-H388 VanDerWaalsContact O-N 3.11Å; P386-L389 HydrophobicContact CG-CD1 4.33Å; P386-L389 WeakPolarHBondContact O-CA 3.48Å; P386-L389 PolarHBondContact O-N 3.03Å; P386-S390 PolarHBondContact O-N 2.95Å; P386-S390 VanDerWaalsContact O-N 3.15Å
387H77.4Confident81.7Confident110 Ų11063.3 Ų63.351%0.50938%0.378SS..Hα-helixtrans-53.9-39.2-171.8-74.3-64.9000113.9T382 A385 L389 S390T382-H387 PolarHBondContact OG1-CE1 3.3Å; T382-H387 PolarHBondContact OG1-NE2 3.16Å; A385-H387 PolarHBondContact O-N 3.18Å; H387-L389 PolarHBondContact O-N 3.01Å; H387-S390 WeakPolarHBondContact CA-OG 3.26Å; H387-S390 PolarHBondContact O-N 3.32Å; H387-S390 PolarHBondContact O-OG 3.44Å
388H77Confident80.7Confident108 Ų10860.3 Ų60.350%0.537%0.366SS..Hα-helixtrans-67.3-13.1178.768.5-84.7000114.4E283 P386E283-H388 PolarHBondContact O-CE1 2.66Å; E283-H388 VanDerWaalsContact O-CE1 3.3Å; P386-H388 VanDerWaalsContact C-N 3.26Å; P386-H388 VanDerWaalsContact CB-CE1 3.41Å; P386-H388 WeakPolarHBondContact CB-CE1 3.3Å; P386-H388 PolarHBondContact O-N 3.31Å; P386-H388 VanDerWaalsContact O-N 3.11Å
389L76.2Confident79.9Confident20 Ų2062.6 Ų62.611%0.10537%0.372CS..Hα-helixtrans-109.3-4.6174.2-54.5175.9000112.4Q286 M288 V291 P386 H387Q286-L389 HydrophobicContact CB-CD1 3.89Å; Q286-L389 VanDerWaalsContact O-CD1 3.26Å; Q286-L389 WeakPolarHBondContact O-CD1 3.32Å; M288-L389 HydrophobicContact CE-CB 4.14Å; M288-L389 HydrophobicContact CE-CD2 4.31Å; M288-L389 VanDerWaalsContact CE-O 3.27Å; M288-L389 WeakPolarHBondContact CE-O 3.09Å; V291-L389 HydrophobicContact CG2-CD1 4.14Å; P386-L389 HydrophobicContact CG-CD1 4.33Å; P386-L389 WeakPolarHBondContact O-CA 3.48Å; P386-L389 PolarHBondContact O-N 3.03Å; H387-L389 PolarHBondContact O-N 3.01Å
390S60.4Low79Confident59 Ų5959.5 Ų59.541%0.41335%0.348SS..Hα-helixtrans-84.3-17.2-176.569.70000113.6P386 H387P386-S390 PolarHBondContact O-N 2.95Å; P386-S390 VanDerWaalsContact O-N 3.15Å; H387-S390 WeakPolarHBondContact CA-OG 3.26Å; H387-S390 PolarHBondContact O-N 3.32Å; H387-S390 PolarHBondContact O-OG 3.44Å
391S52Low77.8Confident93 Ų9360.5 Ų60.565%0.6535%0.35SS*.  trans-109.515.2-169.559.80000115.4
392L42.3Very low76.2Confident194 Ų19464.7 Ų64.7100%1.01638%0.375SS*.  trans-121.40171.5-72.5162.2000109M288M288-L392 HydrophobicContact CE-CB 3.69Å; M288-L392 HydrophobicContact CE-CD1 4.38Å

Retrieved 392 of 392 residues in 967.8 ms (Link to these results)

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