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Tubulin beta chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession G4VTA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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
1M68.7Low93.8Very high93 Ų9329.8 Ų29.846%0.45813%0.133SC..  0-148.30-164.1168.5-69.500105.2E3 E45 R46 N48 V49 S129M1-E3 WeakPolarHBondContact CA-OE1 3.36Å; M1-E3 PolarHBondContact N-OE1 3.08Å; M1-E45 WeakPolarHBondContact CE-O 3.48Å; M1-R46 HydrophobicContact CE-CB 4.25Å; M1-R46 HydrophobicContact CE-CG 4.04Å; M1-R46 VanDerWaalsContact SD-CA 3.56Å; M1-R46 HydrophobicContact SD-CB 3.37Å; M1-R46 WeakPolarHBondContact SD-CB 3.44Å; M1-R46 HydrophobicContact SD-CG 3.49Å; M1-R46 WeakPolarHBondContact SD-CG 3.37Å; M1-N48 WeakPolarHBondContact CB-ND2 3.37Å; M1-N48 PolarHBondContact SD-OD1 3.32Å; M1-V49 HydrophobicContact SD-CG2 4.38Å; M1-S129 WeakPolarHBondContact O-CB 3.49Å
2R87Confident93.9Very high118 Ų11830.2 Ų30.245%0.44514%0.141SC..  trans-112.3111169.3-81.5-169.8-168.2-169.117.3107.9S129 Q131 D249R2-S129 VanDerWaalsContact CA-O 3.31Å; R2-S129 WeakPolarHBondContact CA-O 3.36Å; R2-Q131 HydrophobicContact CB-CB 4.04Å; R2-Q131 HydrophobicContact CB-CG 4.42Å; R2-Q131 HydrophobicContact CG-CB 4.49Å; R2-Q131 PolarHBondContact O-OE1 3.17Å; R2-D249 IonicContact CZ-OD2 3.46Å; R2-D249 IonicContact NE-OD2 3.23Å; R2-D249 IonicContact NH1-OD1 3.68Å; R2-D249 PolarHBondContact NH1-OD1 2.81Å; R2-D249 IonicContact NH1-OD2 3.42Å; R2-D249 PolarHBondContact NH1-OD2 3.36Å; R2-D249 IonicContact NH2-OD2 2.7Å
3E95.4Very high94.2Very high0 Ų027.8 Ų27.80%013%0.13CC..EExtended strand (participates in β ladder)trans-103.4149.1-170.1-57.182.7-169.300113M1 N48 T127 D128 S129 L130 Q131M1-E3 WeakPolarHBondContact CA-OE1 3.36Å; M1-E3 PolarHBondContact N-OE1 3.08Å; E3-N48 WeakPolarHBondContact CG-O 3.48Å; E3-T127 HydrophobicContact CB-CG2 3.75Å; E3-T127 HydrophobicContact CG-CG2 4.49Å; E3-D128 PolarHBondContact OE2-N 3.43Å; E3-S129 PolarHBondContact N-O 3.28Å; E3-S129 WeakPolarHBondContact OE2-CA 3.46Å; E3-S129 PolarHBondContact OE2-N 3Å; E3-L130 WeakPolarHBondContact O-CA 3.26Å; E3-Q131 WeakPolarHBondContact O-CG 3.27Å; E3-Q131 PolarHBondContact O-N 3.28Å
4I96.9Very high94.4Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-115.2134.7-179.6-61.9171.1000109.3V49 Y50 Q131 Q134 L240 L250I4-V49 HydrophobicContact CD1-CG1 4.06Å; I4-V49 HydrophobicContact CG1-CG1 4.33Å; I4-V49 PolarHBondContact N-O 2.68Å; I4-Y50 HydrophobicContact CB-CD1 4.33Å; I4-Y50 HydrophobicContact CB-CE1 3.98Å; I4-Y50 HydrophobicContact CD1-CE1 4.46Å; I4-Y50 HydrophobicContact CD1-CE2 4.46Å; I4-Y50 HydrophobicContact CG2-CD1 4.49Å; I4-Y50 HydrophobicContact CG2-CE1 3.8Å; I4-Q131 HydrophobicContact CD1-CG 4.41Å; I4-Q131 VanDerWaalsContact CG1-CD 3.45Å; I4-Q131 HydrophobicContact CG1-CG 3.56Å; I4-Q134 HydrophobicContact CG2-CB 3.74Å; I4-L240 HydrophobicContact CD1-CD1 3.58Å; I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CG 4.33Å; I4-L250 HydrophobicContact CG1-CD1 4.08Å
5V98.3Very high94.5Very high0 Ų029.2 Ų29.20%014%0.136CC..EExtended strand (participates in β ladder)trans-96.5123.6165.5177.90000108.3L7 I64 E123 L130 G132 F133 Q134V5-L7 HydrophobicContact CG1-CD1 4.06Å; V5-I64 HydrophobicContact CG1-CD1 3.74Å; V5-I64 HydrophobicContact CG1-CG1 4.24Å; V5-E123 HydrophobicContact CG1-CB 4.08Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; V5-L130 HydrophobicContact CG2-CD1 3.91Å; V5-G132 PolarHBondContact N-O 3.3Å; V5-F133 HydrophobicContact CB-CD1 3.82Å; V5-F133 HydrophobicContact CB-CE1 4.05Å; V5-F133 HydrophobicContact CG1-CD1 4.2Å; V5-F133 HydrophobicContact CG1-CE1 4.39Å; V5-F133 HydrophobicContact CG2-CE1 4.4Å; V5-F133 WeakPolarHBondContact O-CA 3.47Å; V5-Q134 PolarHBondContact O-N 3.08Å
6H98.4Very high94.7Very high0 Ų027.4 Ų27.40%013%0.128CC..EExtended strand (participates in β ladder)trans-101123.8-178.5-179-143000110.8Q8 F20 W21 Y50 R62 A63 I64 Q134 T136H6-Q8 PolarHBondContact CE1-NE2 3.26Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.35Å; H6-Q8 PolarHBondContact ND1-NE2 3.15Å; H6-F20 AromaticContact CE1-CD1 3.59Å; H6-F20 AromaticContact CE1-CE1 3.96Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.94Å; H6-W21 HydrophobicContact CB-CZ2 3.96Å; H6-W21 AromaticContact CE1-NE1 3.97Å; H6-W21 AromaticContact ND1-CE2 3.63Å; H6-W21 AromaticContact ND1-CZ2 3.71Å; H6-W21 AromaticContact ND1-NE1 3.27Å; H6-W21 PolarHBondContact ND1-NE1 3.48Å; H6-Y50 HydrophobicContact CB-CE1 4.3Å; H6-R62 PolarHBondContact N-O 3.21Å; H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.37Å; H6-I64 PolarHBondContact O-N 3.46Å; H6-Q134 CarbonylContact C-O 3.54Å; H6-Q134 VanDerWaalsContact CA-O 3.32Å; H6-Q134 WeakPolarHBondContact CA-O 3.19Å; H6-Q134 PolarHBondContact CD2-O 2.88Å; H6-Q134 VanDerWaalsContact CD2-O 3.27Å; H6-T136 PolarHBondContact NE2-OG1 3.18Å
7L98.7Very high94.8Very high1 Ų125.8 Ų25.81%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-107.5133.3177-68.686.1000110.1V5 I64 F133 Q134 L135 T136 I155V5-L7 HydrophobicContact CG1-CD1 4.06Å; L7-I64 WeakPolarHBondContact CA-O 3.49Å; L7-I64 HydrophobicContact CG-CB 4.37Å; L7-I64 HydrophobicContact CG-CD1 4.35Å; L7-F133 HydrophobicContact CD1-CB 4.21Å; L7-F133 HydrophobicContact CD1-CD1 3.93Å; L7-Q134 PolarHBondContact N-O 3.29Å; L7-L135 HydrophobicContact CB-CB 4.35Å; L7-L135 HydrophobicContact CB-CD1 4.23Å; L7-L135 HydrophobicContact CB-CG 4.24Å; L7-L135 WeakPolarHBondContact O-CA 3.28Å; L7-T136 PolarHBondContact O-N 2.94Å; L7-I155 HydrophobicContact CD1-CD1 4.47Å; L7-I155 HydrophobicContact CD2-CD1 3.69Å
8Q98.5Very high94.9Very high0 Ų025.8 Ų25.80%012%0.124CC..EExtended strand (participates in β ladder)trans-119.3112.1177.2-62172.8500108.5H6 N14 G17 I64 V66H6-Q8 PolarHBondContact CE1-NE2 3.26Å; H6-Q8 VanDerWaalsContact CE1-NE2 3.35Å; H6-Q8 PolarHBondContact ND1-NE2 3.15Å; Q8-N14 PolarHBondContact O-ND2 3.43Å; Q8-G17 VanDerWaalsContact CD-CA 3.45Å; Q8-G17 PolarHBondContact NE2-O 3.48Å; Q8-I64 PolarHBondContact N-O 3.32Å; Q8-V66 PolarHBondContact O-N 3.29Å
9V98.4Very high95Very high0 Ų027.7 Ų27.70%013%0.131CC..EExtended strand (participates in β ladder)trans-118.3123.7-169.8-170.50000111.6V66 L135 T136 H137 T143 L147 L151V9-V66 WeakPolarHBondContact CA-O 3.4Å; V9-V66 HydrophobicContact CG2-CB 4.36Å; V9-L135 HydrophobicContact CG2-CD1 3.96Å; V9-L135 HydrophobicContact CG2-CG 4.18Å; V9-T136 PolarHBondContact N-O 2.77Å; V9-H137 HydrophobicContact CB-CB 4.39Å; V9-T143 HydrophobicContact CG1-CG2 4.2Å; V9-L147 HydrophobicContact CG1-CB 4.5Å; V9-L147 HydrophobicContact CG1-CD2 4.41Å; V9-L147 HydrophobicContact CG1-CG 4.25Å; V9-L151 HydrophobicContact CG1-CD1 4.37Å; V9-L151 HydrophobicContact CG2-CD1 3.88Å
10G97.1Very high95.1Very high2 Ų226.3 Ų26.32%0.02113%0.125CC..Hα-helixtrans72.7175-178.700000113.7C12 G13 N14 V66G10-C12 PolarHBondContact O-N 3.03Å; G10-G13 PolarHBondContact O-N 3.31Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G10-N14 PolarHBondContact O-N 3.39Å; G10-N14 PolarHBondContact O-ND2 2.95Å; G10-V66 PolarHBondContact N-O 2.74Å
11Q95Very high95.2Very high114 Ų11425 Ų2553%0.53312%0.119SC..Hα-helixtrans-52.3-49.8-176.1-174.5-177-2700113.1N14 Q15 D67Q11-N14 PolarHBondContact O-N 3.08Å; Q11-Q15 WeakPolarHBondContact O-CB 3.4Å; Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.28Å; Q11-Q15 PolarHBondContact O-N 3.46Å; Q11-D67 PolarHBondContact N-OD2 3.4Å; Q11-D67 VanDerWaalsContact N-OD2 3.07Å
12C94.7Very high96.5Very high34 Ų3423.2 Ų23.223%0.2311%0.109CC..Hα-helixtrans-61.5-46.5179.4-175.10000112G10 N14 Q15 I16G10-C12 PolarHBondContact O-N 3.03Å; C12-N14 PolarHBondContact O-N 3.24Å; C12-Q15 PolarHBondContact O-N 3.15Å; C12-I16 WeakPolarHBondContact O-CG1 3.23Å; C12-I16 PolarHBondContact O-N 3.43Å
13G97.3Very high96.9Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-60.7-43.5-179.600000112.7G10 G17 T136G10-G13 PolarHBondContact O-N 3.31Å; G10-G13 VanDerWaalsContact O-N 3.14Å; G13-G17 WeakPolarHBondContact O-CA 3.11Å; G13-G17 PolarHBondContact O-N 3.44Å; G13-T136 VanDerWaalsContact CA-O 3.27Å; G13-T136 WeakPolarHBondContact CA-O 3.47Å
14N97.6Very high96.9Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-71.5-35179.3-74.6-74.1000113.1Q8 G10 Q11 C12 S18 L65 V66 T72 M73 V76Q8-N14 PolarHBondContact O-ND2 3.43Å; G10-N14 PolarHBondContact O-N 3.39Å; G10-N14 PolarHBondContact O-ND2 2.95Å; Q11-N14 PolarHBondContact O-N 3.08Å; C12-N14 PolarHBondContact O-N 3.24Å; N14-S18 VanDerWaalsContact O-CB 3.27Å; N14-S18 WeakPolarHBondContact O-CB 3.42Å; N14-S18 PolarHBondContact O-N 2.58Å; N14-S18 PolarHBondContact O-OG 3.21Å; N14-L65 WeakPolarHBondContact OD1-CB 3.45Å; N14-V66 PolarHBondContact ND2-O 3.24Å; N14-T72 HydrophobicContact CB-CG2 3.53Å; N14-M73 HydrophobicContact CB-CE 4.27Å; N14-M73 VanDerWaalsContact CG-CE 3.41Å; N14-M73 WeakPolarHBondContact ND2-CE 3.09Å; N14-M73 WeakPolarHBondContact OD1-CE 3.2Å; N14-V76 HydrophobicContact CB-CG2 4.19Å
15Q96.2Very high96.8Very high76 Ų7618.7 Ų18.736%0.35510%0.095SC..Hα-helixtrans-68.8-44.8176.3-73.2-176.117.100112Q11 C12 K19Q11-Q15 WeakPolarHBondContact O-CB 3.4Å; Q11-Q15 VanDerWaalsContact O-CG 3.28Å; Q11-Q15 WeakPolarHBondContact O-CG 3.28Å; Q11-Q15 PolarHBondContact O-N 3.46Å; C12-Q15 PolarHBondContact O-N 3.15Å; Q15-K19 PolarHBondContact O-N 3.13Å
16I97.4Very high96.6Very high1 Ų121.3 Ų21.31%0.00511%0.109CC..Hα-helixtrans-64.3-46.3173.8-68.4168.5000109.8C12 S18 K19 F20 T136 V169 N226 V229 M233C12-I16 WeakPolarHBondContact O-CG1 3.23Å; C12-I16 PolarHBondContact O-N 3.43Å; I16-S18 PolarHBondContact O-N 3.49Å; I16-K19 PolarHBondContact O-N 2.99Å; I16-K19 VanDerWaalsContact O-N 3.17Å; I16-F20 WeakPolarHBondContact O-CB 2.85Å; I16-F20 PolarHBondContact O-N 3.06Å; I16-T136 HydrophobicContact CB-CG2 3.9Å; I16-T136 HydrophobicContact CD1-CG2 4.33Å; I16-T136 HydrophobicContact CG2-CG2 3.65Å; I16-V169 HydrophobicContact CD1-CG2 3.5Å; I16-N226 HydrophobicContact CG1-CB 4.25Å; I16-N226 VanDerWaalsContact CG1-OD1 3.25Å; I16-N226 WeakPolarHBondContact CG1-OD1 2.8Å; I16-V229 HydrophobicContact CD1-CG1 4.24Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.56Å; I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å
17G97.1Very high96.3Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-61.7-40.8-178.500000113.4Q8 G13 F20 W21Q8-G17 VanDerWaalsContact CD-CA 3.45Å; Q8-G17 PolarHBondContact NE2-O 3.48Å; G13-G17 WeakPolarHBondContact O-CA 3.11Å; G13-G17 PolarHBondContact O-N 3.44Å; G17-F20 WeakPolarHBondContact O-CB 3.26Å; G17-F20 PolarHBondContact O-N 3.17Å; G17-W21 PolarHBondContact O-N 3.43Å
18S96.7Very high96.1Very high25 Ų2521.8 Ų21.818%0.17511%0.111CC..Hα-helixtrans-59.4-47.6172.9-63.10000110.9N14 I16 F20 W21 E22 V76N14-S18 VanDerWaalsContact O-CB 3.27Å; N14-S18 WeakPolarHBondContact O-CB 3.42Å; N14-S18 PolarHBondContact O-N 2.58Å; N14-S18 PolarHBondContact O-OG 3.21Å; I16-S18 PolarHBondContact O-N 3.49Å; S18-F20 VanDerWaalsContact C-N 3.33Å; S18-F20 PolarHBondContact O-N 3.08Å; S18-W21 PolarHBondContact O-N 3.49Å; S18-E22 WeakPolarHBondContact O-CG 3.4Å; S18-E22 PolarHBondContact O-N 2.76Å; S18-E22 VanDerWaalsContact O-N 3.08Å; S18-V76 WeakPolarHBondContact OG-CG2 3.42Å
19K96.3Very high95.9Very high62 Ų6222.3 Ų22.327%0.2712%0.116SC..Hα-helixtrans-64.9-37.3177.2-169.968.4-161.5164.70112.4Q15 I16 E22 V23 S230Q15-K19 PolarHBondContact O-N 3.13Å; I16-K19 PolarHBondContact O-N 2.99Å; I16-K19 VanDerWaalsContact O-N 3.17Å; K19-E22 WeakPolarHBondContact CD-OE2 3.28Å; K19-E22 IonicContact NZ-OE2 3.27Å; K19-E22 PolarHBondContact NZ-OE2 3.46Å; K19-E22 WeakPolarHBondContact O-CB 3.38Å; K19-E22 PolarHBondContact O-N 2.95Å; K19-V23 WeakPolarHBondContact O-CG2 3.46Å; K19-V23 PolarHBondContact O-N 3.24Å; K19-V23 VanDerWaalsContact O-N 3.15Å; K19-S230 WeakPolarHBondContact CG-OG 3.04Å
20F97.2Very high95.7Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-60.1-47.5174172.3-106.2000111.6H6 I16 G17 S18 E22 V23 I24 Y50 M233H6-F20 AromaticContact CE1-CD1 3.59Å; H6-F20 AromaticContact CE1-CE1 3.96Å; H6-F20 AromaticContact ND1-CD1 3.87Å; H6-F20 AromaticContact ND1-CE1 3.94Å; I16-F20 WeakPolarHBondContact O-CB 2.85Å; I16-F20 PolarHBondContact O-N 3.06Å; G17-F20 WeakPolarHBondContact O-CB 3.26Å; G17-F20 PolarHBondContact O-N 3.17Å; S18-F20 VanDerWaalsContact C-N 3.33Å; S18-F20 PolarHBondContact O-N 3.08Å; F20-E22 VanDerWaalsContact C-N 3.31Å; F20-E22 PolarHBondContact O-N 3.35Å; F20-V23 PolarHBondContact O-N 3.01Å; F20-V23 VanDerWaalsContact O-N 3.1Å; F20-I24 HydrophobicContact CD1-CG1 4.12Å; F20-I24 HydrophobicContact CD2-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG1 3.83Å; F20-I24 HydrophobicContact CE1-CG1 3.75Å; F20-I24 HydrophobicContact CE2-CD1 3.59Å; F20-I24 HydrophobicContact CE2-CG1 3.43Å; F20-I24 VanDerWaalsContact CE2-CG1 3.43Å; F20-I24 HydrophobicContact CG-CG1 4.18Å; F20-I24 HydrophobicContact CZ-CD1 3.78Å; F20-I24 HydrophobicContact CZ-CG1 3.4Å; F20-I24 VanDerWaalsContact CZ-CG1 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.38Å; F20-Y50 HydrophobicContact CE1-CE1 4.32Å; F20-Y50 HydrophobicContact CZ-CE1 4.35Å; F20-Y50 HydrophobicContact CZ-CE2 4.28Å; F20-Y50 AromaticContact CZ-CZ 3.91Å; F20-M233 HydrophobicContact CB-CE 4.15Å; F20-M233 HydrophobicContact CB-SD 4.32Å; F20-M233 HydrophobicContact CD1-CE 4.2Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.89Å; F20-M233 HydrophobicContact CD2-SD 4.23Å; F20-M233 HydrophobicContact CE2-CB 3.65Å; F20-M233 HydrophobicContact CE2-CE 4.27Å; F20-M233 HydrophobicContact CG-CE 3.82Å; F20-M233 HydrophobicContact CG-SD 4.39Å
21W97.3Very high95.7Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-66.8-31.2177.9-73.5112.8000113.2H6 G17 S18 V23 I24 S25 Y50 Y51 P61 A63 F85H6-W21 HydrophobicContact CB-CZ2 3.96Å; H6-W21 AromaticContact CE1-NE1 3.97Å; H6-W21 AromaticContact ND1-CE2 3.63Å; H6-W21 AromaticContact ND1-CZ2 3.71Å; H6-W21 AromaticContact ND1-NE1 3.27Å; H6-W21 PolarHBondContact ND1-NE1 3.48Å; G17-W21 PolarHBondContact O-N 3.43Å; S18-W21 PolarHBondContact O-N 3.49Å; W21-V23 VanDerWaalsContact C-N 3.35Å; W21-I24 HydrophobicContact CE3-CB 4.39Å; W21-I24 HydrophobicContact CE3-CG2 4.25Å; W21-I24 HydrophobicContact CZ3-CG2 4.23Å; W21-S25 WeakPolarHBondContact O-CB 3.36Å; W21-S25 PolarHBondContact O-N 2.92Å; W21-S25 PolarHBondContact O-OG 3.33Å; W21-Y50 AromaticContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CG 4.03Å; W21-Y50 HydrophobicContact CZ2-CD1 4.34Å; W21-Y50 HydrophobicContact CZ3-CD1 4.49Å; W21-Y50 HydrophobicContact CZ3-CG 4.38Å; W21-Y51 HydrophobicContact CE3-CE1 4.5Å; W21-Y51 HydrophobicContact CE3-CE2 4.49Å; W21-Y51 AromaticContact CE3-CZ 3.98Å; W21-Y51 HydrophobicContact CZ3-CE1 4.26Å; W21-Y51 AromaticContact CZ3-CE2 3.94Å; W21-Y51 HydrophobicContact CZ3-CE2 3.94Å; W21-Y51 AromaticContact CZ3-CZ 3.78Å; W21-P61 HydrophobicContact CD2-CB 4.02Å; W21-P61 HydrophobicContact CD2-CG 4.18Å; W21-P61 HydrophobicContact CE3-CB 3.86Å; W21-P61 HydrophobicContact CE3-CG 3.86Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.41Å; W21-P61 HydrophobicContact CZ2-CB 3.73Å; W21-P61 HydrophobicContact CZ3-CB 3.62Å; W21-P61 HydrophobicContact CZ3-CG 3.97Å; W21-A63 HydrophobicContact CZ2-CB 3.63Å; W21-F85 HydrophobicContact CB-CE1 4.23Å; W21-F85 HydrophobicContact CB-CZ 3.81Å; W21-F85 AromaticContact CD1-CE1 3.32Å; W21-F85 AromaticContact CD1-CZ 3.39Å; W21-F85 HydrophobicContact CD2-CE1 4.12Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.68Å; W21-F85 HydrophobicContact CG-CZ 3.68Å; W21-F85 AromaticContact NE1-CE1 3.58Å
22E95.7Very high95.7Very high54 Ų5421.4 Ų21.425%0.25212%0.117SC..Hα-helixtrans-56.6-50.7168.1-67.2176.6-162.600110.8S18 K19 F20 D26 F81S18-E22 WeakPolarHBondContact O-CG 3.4Å; S18-E22 PolarHBondContact O-N 2.76Å; S18-E22 VanDerWaalsContact O-N 3.08Å; K19-E22 WeakPolarHBondContact CD-OE2 3.28Å; K19-E22 IonicContact NZ-OE2 3.27Å; K19-E22 PolarHBondContact NZ-OE2 3.46Å; K19-E22 WeakPolarHBondContact O-CB 3.38Å; K19-E22 PolarHBondContact O-N 2.95Å; F20-E22 VanDerWaalsContact C-N 3.31Å; F20-E22 PolarHBondContact O-N 3.35Å; E22-D26 WeakPolarHBondContact O-CB 3.22Å; E22-D26 PolarHBondContact O-N 3.32Å; E22-F81 HydrophobicContact CB-CD2 4.37Å; E22-F81 HydrophobicContact CB-CE2 4.14Å; E22-F81 HydrophobicContact CG-CD2 3.5Å; E22-F81 HydrophobicContact CG-CE2 3.66Å; E22-F81 HydrophobicContact CG-CG 4.28Å
23V94.7Very high95.8Very high23 Ų2323 Ų2314%0.13913%0.126CC..Hα-helixtrans-64.6-45.3-178.7174.20000111.7K19 F20 W21 D26 E27K19-V23 WeakPolarHBondContact O-CG2 3.46Å; K19-V23 PolarHBondContact O-N 3.24Å; K19-V23 VanDerWaalsContact O-N 3.15Å; F20-V23 PolarHBondContact O-N 3.01Å; F20-V23 VanDerWaalsContact O-N 3.1Å; W21-V23 VanDerWaalsContact C-N 3.35Å; V23-D26 PolarHBondContact O-N 2.79Å; V23-E27 VanDerWaalsContact O-CG 3.32Å; V23-E27 WeakPolarHBondContact O-CG 3.24Å; V23-E27 PolarHBondContact O-N 3.39Å
24I95.3Very high95.7Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-66.9-43.5-179.8-65.4-58000111.1F20 W21 D26 E27 H28 Y51 R241F20-I24 HydrophobicContact CD1-CG1 4.12Å; F20-I24 HydrophobicContact CD2-CD1 4.31Å; F20-I24 HydrophobicContact CD2-CG1 3.83Å; F20-I24 HydrophobicContact CE1-CG1 3.75Å; F20-I24 HydrophobicContact CE2-CD1 3.59Å; F20-I24 HydrophobicContact CE2-CG1 3.43Å; F20-I24 VanDerWaalsContact CE2-CG1 3.43Å; F20-I24 HydrophobicContact CG-CG1 4.18Å; F20-I24 HydrophobicContact CZ-CD1 3.78Å; F20-I24 HydrophobicContact CZ-CG1 3.4Å; F20-I24 VanDerWaalsContact CZ-CG1 3.4Å; F20-I24 WeakPolarHBondContact O-CG1 3.45Å; F20-I24 PolarHBondContact O-N 3.38Å; W21-I24 HydrophobicContact CE3-CB 4.39Å; W21-I24 HydrophobicContact CE3-CG2 4.25Å; W21-I24 HydrophobicContact CZ3-CG2 4.23Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 2.82Å; I24-E27 PolarHBondContact O-N 2.91Å; I24-H28 PolarHBondContact O-CD2 2.84Å; I24-H28 VanDerWaalsContact O-CD2 3.25Å; I24-H28 PolarHBondContact O-N 3.01Å; I24-Y51 HydrophobicContact CG2-CE2 3.8Å; I24-R241 VanDerWaalsContact CD1-CZ 3.43Å
25S95.8Very high95.7Very high0 Ų024.3 Ų24.30%014%0.137CC..Hα-helixtrans-62.3-43.6178.4-54.20000110.3W21 E27 H28 G29 I30 Y51 L84W21-S25 WeakPolarHBondContact O-CB 3.36Å; W21-S25 PolarHBondContact O-N 2.92Å; W21-S25 PolarHBondContact O-OG 3.33Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact O-N 2.77Å; S25-H28 CarbonylContact O-C 3.51Å; S25-H28 PolarHBondContact O-N 3.49Å; S25-G29 PolarHBondContact O-N 3.05Å; S25-I30 CarbonylContact C-O 3.54Å; S25-I30 WeakPolarHBondContact CB-O 3.29Å; S25-I30 PolarHBondContact O-N 3.24Å; S25-Y51 VanDerWaalsContact CA-OH 3.26Å; S25-Y51 WeakPolarHBondContact CA-OH 3.48Å; S25-Y51 WeakPolarHBondContact CB-OH 3.45Å; S25-Y51 PolarHBondContact N-OH 2.95Å; S25-Y51 PolarHBondContact OG-OH 2.88Å; S25-L84 WeakPolarHBondContact OG-CD2 3.44Å
26D93.1Very high95.6Very high56 Ų5623.7 Ų23.730%0.29913%0.132SC..Hα-helixtrans-61.8-38.6177.4-171.350.3000113.1E22 V23 I24 G29 R359E22-D26 WeakPolarHBondContact O-CB 3.22Å; E22-D26 PolarHBondContact O-N 3.32Å; V23-D26 PolarHBondContact O-N 2.79Å; I24-D26 VanDerWaalsContact C-N 3.3Å; I24-D26 PolarHBondContact O-N 2.82Å; D26-G29 PolarHBondContact O-N 2.9Å; D26-R359 WeakPolarHBondContact OD1-CD 3.43Å; D26-R359 IonicContact OD1-CZ 3.6Å; D26-R359 IonicContact OD1-NE 3.21Å; D26-R359 IonicContact OD1-NH1 2.74Å; D26-R359 PolarHBondContact OD1-NH1 3.32Å; D26-R359 VanDerWaalsContact OD2-CB 3.23Å; D26-R359 WeakPolarHBondContact OD2-CB 3.42Å; D26-R359 WeakPolarHBondContact OD2-CD 3.33Å; D26-R359 IonicContact OD2-NE 3.82Å
27E92.6Very high95.5Very high10 Ų1030.2 Ų30.25%0.04716%0.162CC..Hα-helixtrans-68.5-35.8174.6-75.5-176.9-170.700113.2V23 I24 S25 G29 Q43 S234 R241 F242 R318V23-E27 VanDerWaalsContact O-CG 3.32Å; V23-E27 WeakPolarHBondContact O-CG 3.24Å; V23-E27 PolarHBondContact O-N 3.39Å; I24-E27 PolarHBondContact O-N 2.91Å; S25-E27 VanDerWaalsContact C-N 3.34Å; S25-E27 PolarHBondContact O-N 2.77Å; E27-G29 VanDerWaalsContact C-N 3.33Å; E27-Q43 PolarHBondContact O-NE2 3.06Å; E27-S234 PolarHBondContact OE1-OG 2.82Å; E27-S234 PolarHBondContact OE2-OG 3.16Å; E27-R241 IonicContact OE2-CZ 2.67Å; E27-R241 IonicContact OE2-NH1 3.86Å; E27-R241 PolarHBondContact OE2-NH1 2.89Å; E27-R241 IonicContact OE2-NH2 2.95Å; E27-R241 PolarHBondContact OE2-NH2 2.8Å; E27-F242 HydrophobicContact CB-CE2 4.39Å; E27-F242 HydrophobicContact CB-CZ 4.05Å; E27-R318 IonicContact OE1-CZ 2.84Å; E27-R318 IonicContact OE1-NH1 3.99Å; E27-R318 PolarHBondContact OE1-NH1 3.38Å; E27-R318 IonicContact OE1-NH2 3.97Å; E27-R318 PolarHBondContact OE1-NH2 3.35Å; E27-R318 IonicContact OE2-CZ 3.45Å; E27-R318 IonicContact OE2-NH1 3.06Å; E27-R318 PolarHBondContact OE2-NH1 3.01Å; E27-R318 IonicContact OE2-NH2 3.53Å; E27-R318 PolarHBondContact OE2-NH2 3.06Å
28H93.6Very high95.1Very high1 Ų131.4 Ų31.41%0.00517%0.174CC..THydrogen-bonded Turntrans-88.23.9177.2-73.6-76.1000113.6I24 S25 I30 Y36 Q43 I47 R241I24-H28 PolarHBondContact O-CD2 2.84Å; I24-H28 VanDerWaalsContact O-CD2 3.25Å; I24-H28 PolarHBondContact O-N 3.01Å; S25-H28 CarbonylContact O-C 3.51Å; S25-H28 PolarHBondContact O-N 3.49Å; H28-I30 HydrophobicContact CB-CG1 3.93Å; H28-I30 PolarHBondContact O-N 3.21Å; H28-Y36 WeakPolarHBondContact O-CD2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.2Å; H28-Q43 PolarHBondContact ND1-O 3.42Å; H28-I47 HydrophobicContact CB-CD1 4.14Å; H28-I47 HydrophobicContact CB-CG1 4.43Å; H28-R241 PolarHBondContact NE2-NH1 3.13Å
29G94.2Very high94.7Very high11 Ų1137.6 Ų37.611%0.11321%0.205CC..THydrogen-bonded Turntrans65.626.3-178.800000113.4S25 D26 E27 Y36 H37 G38S25-G29 PolarHBondContact O-N 3.05Å; D26-G29 PolarHBondContact O-N 2.9Å; E27-G29 VanDerWaalsContact C-N 3.33Å; G29-Y36 CarbonylContact O-C 3.47Å; G29-Y36 WeakPolarHBondContact O-CA 3.4Å; G29-H37 PolarHBondContact O-N 2.72Å; G29-G38 PolarHBondContact O-N 3.37Å
30I96.1Very high94.4Very high6 Ų636.6 Ų36.63%0.03121%0.206CC..BIsolated β-bridgetrans-94.5125.9179.8-56.1-53.1000109.6S25 H28 A35 Y36 I47 Y51 Y59 L84S25-I30 CarbonylContact C-O 3.54Å; S25-I30 WeakPolarHBondContact CB-O 3.29Å; S25-I30 PolarHBondContact O-N 3.24Å; H28-I30 HydrophobicContact CB-CG1 3.93Å; H28-I30 PolarHBondContact O-N 3.21Å; I30-A35 WeakPolarHBondContact CA-O 3.12Å; I30-Y36 HydrophobicContact CD1-CD2 4.02Å; I30-Y36 HydrophobicContact CD1-CG 4.5Å; I30-I47 HydrophobicContact CD1-CD1 3.77Å; I30-I47 HydrophobicContact CG1-CD1 3.93Å; I30-Y51 HydrophobicContact CG2-CE1 4.38Å; I30-Y59 HydrophobicContact CD1-CD2 3.4Å; I30-Y59 HydrophobicContact CD1-CE2 4.09Å; I30-Y59 HydrophobicContact CD1-CG 3.91Å; I30-L84 HydrophobicContact CG2-CD1 4.18Å
31D95.7Very high93.9Very high40 Ų4043.4 Ų43.421%0.21424%0.242CC..  trans-82172.6175.585-7000112T33 G34 A35 H37D31-T33 PolarHBondContact O-N 3.18Å; D31-T33 VanDerWaalsContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CA 3.25Å; D31-T33 WeakPolarHBondContact OD1-CB 3.23Å; D31-T33 PolarHBondContact OD1-N 3.04Å; D31-T33 PolarHBondContact OD1-OG1 2.94Å; D31-T33 PolarHBondContact OD2-OG1 2.96Å; D31-G34 PolarHBondContact O-N 3.07Å; D31-G34 PolarHBondContact OD1-N 3.14Å; D31-G34 VanDerWaalsContact OD1-N 3.11Å; D31-A35 PolarHBondContact N-O 2.62Å; D31-A35 PolarHBondContact OD1-N 3.03Å; D31-H37 IonicContact OD2-CD2 2.67Å; D31-H37 IonicContact OD2-NE2 2.97Å
32P96.4Very high93.5Very high50 Ų5046.6 Ų46.633%0.32526%0.259SS..THydrogen-bonded Turntrans-61.3-13.4178.6-25.335.4000116P80 F81P32-P80 VanDerWaalsContact CB-O 3.28Å; P32-P80 WeakPolarHBondContact CB-O 3.33Å; P32-F81 HydrophobicContact CB-CD1 4.15Å; P32-F81 HydrophobicContact CB-CE1 4.31Å; P32-F81 HydrophobicContact CB-CG 4.4Å; P32-F81 HydrophobicContact CG-CD1 4.2Å; P32-F81 HydrophobicContact CG-CD2 4.42Å; P32-F81 HydrophobicContact CG-CE1 3.92Å; P32-F81 HydrophobicContact CG-CE2 4.15Å; P32-F81 HydrophobicContact CG-CG 4.46Å; P32-F81 HydrophobicContact CG-CZ 3.9Å
33T94.8Very high93.2Very high68 Ų6845.2 Ų45.242%0.41725%0.253SS..THydrogen-bonded Turntrans-91.8-4.2177.179.60000113D31D31-T33 PolarHBondContact O-N 3.18Å; D31-T33 VanDerWaalsContact OD1-CA 3.31Å; D31-T33 WeakPolarHBondContact OD1-CA 3.25Å; D31-T33 WeakPolarHBondContact OD1-CB 3.23Å; D31-T33 PolarHBondContact OD1-N 3.04Å; D31-T33 PolarHBondContact OD1-OG1 2.94Å; D31-T33 PolarHBondContact OD2-OG1 2.96Å
34G96.4Very high93.1Very high2 Ų246.4 Ų46.42%0.02126%0.258CS..SBendtrans86.15.2-174.300000113.7D31 K58 Y59D31-G34 PolarHBondContact O-N 3.07Å; D31-G34 PolarHBondContact OD1-N 3.14Å; D31-G34 VanDerWaalsContact OD1-N 3.11Å; G34-K58 CarbonylContact O-C 3.55Å; G34-K58 WeakPolarHBondContact O-CA 3.25Å; G34-Y59 WeakPolarHBondContact CA-O 3.11Å; G34-Y59 PolarHBondContact O-N 2.87Å
35A96.6Very high92.9Very high26 Ų2651.3 Ų51.322%0.21528%0.281CS..BIsolated β-bridgetrans-83.1140.8-17900000111.3I30 D31I30-A35 WeakPolarHBondContact CA-O 3.12Å; D31-A35 PolarHBondContact N-O 2.62Å; D31-A35 PolarHBondContact OD1-N 3.03Å
36Y95.7Very high92.7Very high63 Ų6353 Ų5325%0.24729%0.287CS..BIsolated β-bridgetrans-81.6125.9175.1176.1-105.2000111.7H28 G29 I30 G38 S40 Q43 L44H28-Y36 WeakPolarHBondContact O-CD2 3.25Å; H28-Y36 WeakPolarHBondContact O-CE2 3.2Å; G29-Y36 CarbonylContact O-C 3.47Å; G29-Y36 WeakPolarHBondContact O-CA 3.4Å; I30-Y36 HydrophobicContact CD1-CD2 4.02Å; I30-Y36 HydrophobicContact CD1-CG 4.5Å; Y36-G38 VanDerWaalsContact CE2-CA 3.41Å; Y36-G38 VanDerWaalsContact OH-C 3.25Å; Y36-G38 WeakPolarHBondContact OH-CA 3.17Å; Y36-S40 PolarHBondContact OH-N 3.48Å; Y36-S40 PolarHBondContact OH-O 3.41Å; Y36-Q43 HydrophobicContact CE2-CB 4Å; Y36-Q43 PolarHBondContact OH-OE1 2.96Å; Y36-L44 HydrophobicContact CD1-CD1 3.94Å; Y36-L44 HydrophobicContact CD1-CD2 4.5Å; Y36-L44 HydrophobicContact CD1-CG 4.49Å; Y36-L44 HydrophobicContact CD2-CD1 4.32Å; Y36-L44 HydrophobicContact CD2-CD2 3.51Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.8Å; Y36-L44 HydrophobicContact CE1-CG 4.26Å; Y36-L44 HydrophobicContact CE2-CD1 4.18Å; Y36-L44 HydrophobicContact CE2-CD2 3.73Å; Y36-L44 HydrophobicContact CE2-CG 3.73Å; Y36-L44 HydrophobicContact CG-CD1 4.19Å; Y36-L44 HydrophobicContact CG-CD2 3.91Å; Y36-L44 HydrophobicContact CG-CG 4.35Å
37H94Very high92.8Very high138 Ų13851 Ų5164%0.63928%0.276SS*.  trans-13022176.4-69.5-73.8000112G29 D31G29-H37 PolarHBondContact O-N 2.72Å; D31-H37 IonicContact OD2-CD2 2.67Å; D31-H37 IonicContact OD2-NE2 2.97Å
38G89Confident92.8Very high24 Ų2452.4 Ų52.425%0.24728%0.284CS..  trans-73.8168.9178.300000113.7G29 Y36G29-G38 PolarHBondContact O-N 3.37Å; Y36-G38 VanDerWaalsContact CE2-CA 3.41Å; Y36-G38 VanDerWaalsContact OH-C 3.25Å; Y36-G38 WeakPolarHBondContact OH-CA 3.17Å
39D89.1Confident92.9Very high156 Ų15652.5 Ų52.583%0.83429%0.285SS*.SBendtrans-1173.6-176.764.3-8.8000113Q43D39-Q43 VanDerWaalsContact N-OE1 3.09Å
40S88.4Confident93Very high40 Ų4052 Ų5228%0.2828%0.28SS..  trans-141.4130.1-176.6-176.30000112.6Y36 L42 Q43Y36-S40 PolarHBondContact OH-N 3.48Å; Y36-S40 PolarHBondContact OH-O 3.41Å; S40-L42 PolarHBondContact O-N 2.87Å; S40-L42 PolarHBondContact OG-N 3.47Å; S40-Q43 VanDerWaalsContact O-CB 3.3Å; S40-Q43 WeakPolarHBondContact O-CB 3.29Å; S40-Q43 PolarHBondContact O-N 3.43Å
41D88.2Confident93.1Very high143 Ų14351.8 Ų51.877%0.76528%0.279SS*.THydrogen-bonded Turntrans-57.2-25.6175.5-61.2-29.1000113Q43 L44 E45D41-Q43 PolarHBondContact O-N 3.01Å; D41-L44 PolarHBondContact O-N 3.2Å; D41-E45 PolarHBondContact O-N 3.01Å; D41-E45 VanDerWaalsContact O-N 3.14Å
42L88Confident93.1Very high67 Ų6751.8 Ų51.835%0.35128%0.278SS..Hα-helixtrans-61.1-25.1176.4-57.3174.2000112.4S40 L44 F242 P243 I356S40-L42 PolarHBondContact O-N 2.87Å; S40-L42 PolarHBondContact OG-N 3.47Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-F242 WeakPolarHBondContact O-CD1 3.3Å; L42-P243 HydrophobicContact CD2-CG 3.61Å; L42-I356 HydrophobicContact CB-CD1 3.83Å; L42-I356 HydrophobicContact CD1-CD1 4.14Å; L42-I356 HydrophobicContact CD1-CG1 4.5Å
43Q90.5Very high92.9Very high25 Ų2555.3 Ų55.312%0.11729%0.291CS..Hα-helixtrans-71.1-25.2176.9-63.2-179.5-65.300112.4E27 H28 Y36 D39 S40 D41E27-Q43 PolarHBondContact O-NE2 3.06Å; H28-Q43 PolarHBondContact ND1-O 3.42Å; Y36-Q43 HydrophobicContact CE2-CB 4Å; Y36-Q43 PolarHBondContact OH-OE1 2.96Å; D39-Q43 VanDerWaalsContact N-OE1 3.09Å; S40-Q43 VanDerWaalsContact O-CB 3.3Å; S40-Q43 WeakPolarHBondContact O-CB 3.29Å; S40-Q43 PolarHBondContact O-N 3.43Å; D41-Q43 PolarHBondContact O-N 3.01Å
44L92.3Very high92.8Very high49 Ų4953.9 Ų53.926%0.25729%0.285SS..Hα-helixtrans-98.3-23.5179.4-65.3-178.7000112.9Y36 D41 L42 R46 I47 Y59Y36-L44 HydrophobicContact CD1-CD1 3.94Å; Y36-L44 HydrophobicContact CD1-CD2 4.5Å; Y36-L44 HydrophobicContact CD1-CG 4.49Å; Y36-L44 HydrophobicContact CD2-CD1 4.32Å; Y36-L44 HydrophobicContact CD2-CD2 3.51Å; Y36-L44 HydrophobicContact CD2-CG 4Å; Y36-L44 HydrophobicContact CE1-CD1 3.8Å; Y36-L44 HydrophobicContact CE1-CG 4.26Å; Y36-L44 HydrophobicContact CE2-CD1 4.18Å; Y36-L44 HydrophobicContact CE2-CD2 3.73Å; Y36-L44 HydrophobicContact CE2-CG 3.73Å; Y36-L44 HydrophobicContact CG-CD1 4.19Å; Y36-L44 HydrophobicContact CG-CD2 3.91Å; Y36-L44 HydrophobicContact CG-CG 4.35Å; D41-L44 PolarHBondContact O-N 3.2Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L44-R46 VanDerWaalsContact C-N 3.31Å; L44-R46 PolarHBondContact O-N 3.02Å; L44-R46 VanDerWaalsContact O-N 3.13Å; L44-I47 HydrophobicContact CD2-CD1 3.72Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 2.79Å; L44-Y59 HydrophobicContact CD2-CE2 3.94Å
45E90.7Very high92.4Very high102 Ų10262.8 Ų62.848%0.47733%0.329SS..Hα-helixtrans-53-42.2-169.4-170.4179.3147.400114.2M1 D41 P243M1-E45 WeakPolarHBondContact CE-O 3.48Å; D41-E45 PolarHBondContact O-N 3.01Å; D41-E45 VanDerWaalsContact O-N 3.14Å; E45-P243 WeakPolarHBondContact OE2-CG 3.34Å
46R92.2Very high92.1Very high36 Ų3665.2 Ų65.214%0.13636%0.356CS..THydrogen-bonded Turntrans-123.729.9177.6-45.2-173.3175.4178-5.3113.3M1 L44 N48 V49 C239 L240 R241 F242M1-R46 HydrophobicContact CE-CB 4.25Å; M1-R46 HydrophobicContact CE-CG 4.04Å; M1-R46 VanDerWaalsContact SD-CA 3.56Å; M1-R46 HydrophobicContact SD-CB 3.37Å; M1-R46 WeakPolarHBondContact SD-CB 3.44Å; M1-R46 HydrophobicContact SD-CG 3.49Å; M1-R46 WeakPolarHBondContact SD-CG 3.37Å; L44-R46 VanDerWaalsContact C-N 3.31Å; L44-R46 PolarHBondContact O-N 3.02Å; L44-R46 VanDerWaalsContact O-N 3.13Å; R46-N48 PolarHBondContact O-N 3.41Å; R46-V49 HydrophobicContact CB-CG2 4.14Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 VanDerWaalsContact O-CG2 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.26Å; R46-C239 PolarHBondContact NH1-O 2.78Å; R46-L240 WeakPolarHBondContact CD-O 3.48Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; R46-F242 PolarHBondContact NH1-O 3.39Å
47I93.8Very high91.8Very high13 Ų1363.8 Ų63.87%0.06736%0.361CS..G310 helixtrans-61.1-28.6-179.5-164.7164.7000112.5H28 I30 L44 V49 Y50 Y51 Y59H28-I47 HydrophobicContact CB-CD1 4.14Å; H28-I47 HydrophobicContact CB-CG1 4.43Å; I30-I47 HydrophobicContact CD1-CD1 3.77Å; I30-I47 HydrophobicContact CG1-CD1 3.93Å; L44-I47 HydrophobicContact CD2-CD1 3.72Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.32Å; L44-I47 PolarHBondContact O-N 2.79Å; I47-V49 PolarHBondContact O-N 3.4Å; I47-V49 VanDerWaalsContact O-N 3.14Å; I47-Y50 PolarHBondContact O-N 2.93Å; I47-Y51 HydrophobicContact CD1-CD2 4.41Å; I47-Y51 HydrophobicContact CG1-CD2 3.69Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.09Å; I47-Y51 PolarHBondContact O-N 3Å; I47-Y59 HydrophobicContact CD1-CD1 3.55Å; I47-Y59 HydrophobicContact CD1-CD2 4.07Å; I47-Y59 HydrophobicContact CD1-CE1 3.8Å; I47-Y59 HydrophobicContact CD1-CE2 4.27Å; I47-Y59 HydrophobicContact CD1-CG 3.68Å; I47-Y59 HydrophobicContact CG1-CD1 4.06Å; I47-Y59 HydrophobicContact CG1-CE1 4.38Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.66Å
48N94.3Very high91.8Very high40 Ų4062 Ų6221%0.21435%0.352CS..G310 helixtrans-64.9-16.2-179.460.3-24.8000114.6M1 E3 R46 Y50 Y51 R62M1-N48 WeakPolarHBondContact CB-ND2 3.37Å; M1-N48 PolarHBondContact SD-OD1 3.32Å; E3-N48 WeakPolarHBondContact CG-O 3.48Å; R46-N48 PolarHBondContact O-N 3.41Å; N48-Y50 PolarHBondContact O-N 3.14Å; N48-Y51 CarbonylContact C-O 3.49Å; N48-Y51 VanDerWaalsContact CA-O 3.27Å; N48-Y51 WeakPolarHBondContact CA-O 3.3Å; N48-R62 PolarHBondContact O-NE 3.36Å
49V94.8Very high92.2Very high3 Ų362.1 Ų62.12%0.01835%0.345CS..G310 helixtrans-52-39.9172.8173.30000110.9M1 I4 R46 I47 L240 R241M1-V49 HydrophobicContact SD-CG2 4.38Å; I4-V49 HydrophobicContact CD1-CG1 4.06Å; I4-V49 HydrophobicContact CG1-CG1 4.33Å; I4-V49 PolarHBondContact N-O 2.68Å; R46-V49 HydrophobicContact CB-CG2 4.14Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 VanDerWaalsContact O-CG2 3.25Å; R46-V49 WeakPolarHBondContact O-CG2 3.38Å; R46-V49 PolarHBondContact O-N 3.26Å; I47-V49 PolarHBondContact O-N 3.4Å; I47-V49 VanDerWaalsContact O-N 3.14Å; V49-L240 HydrophobicContact CG1-CB 4.1Å; V49-L240 WeakPolarHBondContact CG2-O 3.42Å; V49-R241 HydrophobicContact CB-CG 4.28Å; V49-R241 HydrophobicContact CG1-CG 4.05Å
50Y96.6Very high92.6Very high1 Ų156 Ų560%0.00431%0.313CS..THydrogen-bonded Turntrans-123.7-18.3-178.5-84-65.1000114.7I4 H6 F20 W21 I47 N48 R62 Q134 T237 R241I4-Y50 HydrophobicContact CB-CD1 4.33Å; I4-Y50 HydrophobicContact CB-CE1 3.98Å; I4-Y50 HydrophobicContact CD1-CE1 4.46Å; I4-Y50 HydrophobicContact CD1-CE2 4.46Å; I4-Y50 HydrophobicContact CG2-CD1 4.49Å; I4-Y50 HydrophobicContact CG2-CE1 3.8Å; H6-Y50 HydrophobicContact CB-CE1 4.3Å; F20-Y50 HydrophobicContact CE1-CE1 4.32Å; F20-Y50 HydrophobicContact CZ-CE1 4.35Å; F20-Y50 HydrophobicContact CZ-CE2 4.28Å; F20-Y50 AromaticContact CZ-CZ 3.91Å; W21-Y50 AromaticContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CD1 3.74Å; W21-Y50 HydrophobicContact CH2-CG 4.03Å; W21-Y50 HydrophobicContact CZ2-CD1 4.34Å; W21-Y50 HydrophobicContact CZ3-CD1 4.49Å; W21-Y50 HydrophobicContact CZ3-CG 4.38Å; I47-Y50 PolarHBondContact O-N 2.93Å; N48-Y50 PolarHBondContact O-N 3.14Å; Y50-R62 WeakPolarHBondContact O-CB 3.48Å; Y50-R62 PolarHBondContact O-N 3.47Å; Y50-Q134 PolarHBondContact OH-NE2 2.63Å; Y50-Q134 PolarHBondContact OH-OE1 3.11Å; Y50-T237 HydrophobicContact CE2-CG2 4.36Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.24Å; Y50-R241 VanDerWaalsContact CD2-CD 3.4Å; Y50-R241 HydrophobicContact CD2-CG 3.72Å; Y50-R241 HydrophobicContact CE2-CG 3.9Å
51Y97.2Very high93.1Very high2 Ų254.2 Ų54.21%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-110.9154.7-179.6-66-96.6000111.7W21 I24 S25 I30 I47 N48 V60 P61 R62 L84W21-Y51 HydrophobicContact CE3-CE1 4.5Å; W21-Y51 HydrophobicContact CE3-CE2 4.49Å; W21-Y51 AromaticContact CE3-CZ 3.98Å; W21-Y51 HydrophobicContact CZ3-CE1 4.26Å; W21-Y51 AromaticContact CZ3-CE2 3.94Å; W21-Y51 HydrophobicContact CZ3-CE2 3.94Å; W21-Y51 AromaticContact CZ3-CZ 3.78Å; I24-Y51 HydrophobicContact CG2-CE2 3.8Å; S25-Y51 VanDerWaalsContact CA-OH 3.26Å; S25-Y51 WeakPolarHBondContact CA-OH 3.48Å; S25-Y51 WeakPolarHBondContact CB-OH 3.45Å; S25-Y51 PolarHBondContact N-OH 2.95Å; S25-Y51 PolarHBondContact OG-OH 2.88Å; I30-Y51 HydrophobicContact CG2-CE1 4.38Å; I47-Y51 HydrophobicContact CD1-CD2 4.41Å; I47-Y51 HydrophobicContact CG1-CD2 3.69Å; I47-Y51 HydrophobicContact CG1-CE2 4.48Å; I47-Y51 HydrophobicContact CG1-CG 4.09Å; I47-Y51 PolarHBondContact O-N 3Å; N48-Y51 CarbonylContact C-O 3.49Å; N48-Y51 VanDerWaalsContact CA-O 3.27Å; N48-Y51 WeakPolarHBondContact CA-O 3.3Å; Y51-V60 CarbonylContact C-O 3.43Å; Y51-V60 WeakPolarHBondContact CA-O 3.4Å; Y51-P61 HydrophobicContact CD1-CG 4.16Å; Y51-P61 HydrophobicContact CE1-CG 3.73Å; Y51-R62 PolarHBondContact O-NE 2.82Å; Y51-R62 PolarHBondContact O-NH2 3.03Å; Y51-L84 HydrophobicContact CE1-CD2 4.35Å
52N95.2Very high93.5Very high39 Ų3947.8 Ų47.821%0.20927%0.266CS..EExtended strand (participates in β ladder)trans-105.1138.4161-169.314.9000108.8A54 Y59 V60N52-A54 PolarHBondContact O-N 2.69Å; N52-Y59 WeakPolarHBondContact O-CA 3.46Å; N52-V60 PolarHBondContact N-O 2.97Å; N52-V60 PolarHBondContact O-N 2.8Å
53E94Very high94Very high125 Ų12544.7 Ų44.758%0.58425%0.249SC*.EExtended strand (participates in β ladder)trans-82.8114.3172.5-169.9178.3172.400108.9Y59E53-Y59 HydrophobicContact CB-CD1 4.4Å; E53-Y59 HydrophobicContact CB-CE1 4.15Å; E53-Y59 HydrophobicContact CG-CE1 4.11Å
54A91.8Very high94.4Very high37 Ų3743.5 Ų43.531%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-96.6173.6177.100000111.3N52 G56 G57 K58 V60N52-A54 PolarHBondContact O-N 2.69Å; A54-G56 PolarHBondContact O-N 2.98Å; A54-G57 PolarHBondContact O-N 3.5Å; A54-K58 HydrophobicContact CB-CB 4.49Å; A54-K58 PolarHBondContact N-O 2.96Å; A54-V60 HydrophobicContact CB-CG2 3.88Å
55M88.2Confident94.7Very high189 Ų18941.1 Ų41.193%0.93123%0.231SC*.THydrogen-bonded Turntrans-54.9138.3179.3-170179.1-176.100112
56G89.2Confident95.1Very high77 Ų7736.3 Ų36.379%0.79421%0.209SC*.THydrogen-bonded Turntrans81.817.5179.100000114.5A54 K58A54-G56 PolarHBondContact O-N 2.98Å; G56-K58 VanDerWaalsContact C-N 3.31Å
57G89.9Confident95.3Very high34 Ų3434.7 Ų34.735%0.35120%0.203SC..THydrogen-bonded Turntrans7128179.100000112.9A54A54-G57 PolarHBondContact O-N 3.5Å
58K95.3Very high95.5Very high100 Ų10034.1 Ų34.144%0.43520%0.2SC..EExtended strand (participates in β ladder)trans-92.1138.2177.2-69.9-169.6172.3-157.70110.3G34 A54 G56G34-K58 CarbonylContact O-C 3.55Å; G34-K58 WeakPolarHBondContact O-CA 3.25Å; A54-K58 HydrophobicContact CB-CB 4.49Å; A54-K58 PolarHBondContact N-O 2.96Å; G56-K58 VanDerWaalsContact C-N 3.31Å
59Y97.3Very high95.5Very high26 Ų2636.9 Ų36.910%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-101.4124.7176.8-63.9-82.6000110.2I30 G34 L44 I47 N52 E53 L84I30-Y59 HydrophobicContact CD1-CD2 3.4Å; I30-Y59 HydrophobicContact CD1-CE2 4.09Å; I30-Y59 HydrophobicContact CD1-CG 3.91Å; G34-Y59 WeakPolarHBondContact CA-O 3.11Å; G34-Y59 PolarHBondContact O-N 2.87Å; L44-Y59 HydrophobicContact CD2-CE2 3.94Å; I47-Y59 HydrophobicContact CD1-CD1 3.55Å; I47-Y59 HydrophobicContact CD1-CD2 4.07Å; I47-Y59 HydrophobicContact CD1-CE1 3.8Å; I47-Y59 HydrophobicContact CD1-CE2 4.27Å; I47-Y59 HydrophobicContact CD1-CG 3.68Å; I47-Y59 HydrophobicContact CG1-CD1 4.06Å; I47-Y59 HydrophobicContact CG1-CE1 4.38Å; I47-Y59 HydrophobicContact CG2-CD1 4.07Å; I47-Y59 HydrophobicContact CG2-CE1 3.66Å; N52-Y59 WeakPolarHBondContact O-CA 3.46Å; E53-Y59 HydrophobicContact CB-CD1 4.4Å; E53-Y59 HydrophobicContact CB-CE1 4.15Å; E53-Y59 HydrophobicContact CG-CE1 4.11Å; Y59-L84 WeakPolarHBondContact O-CD1 3.18Å
60V97.5Very high95.5Very high29 Ų2938.7 Ų38.718%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-115.2126-178.7-178.60000109.5Y51 N52 A54 R86Y51-V60 CarbonylContact C-O 3.43Å; Y51-V60 WeakPolarHBondContact CA-O 3.4Å; N52-V60 PolarHBondContact N-O 2.97Å; N52-V60 PolarHBondContact O-N 2.8Å; A54-V60 HydrophobicContact CB-CG2 3.88Å; V60-R86 HydrophobicContact CG1-CB 4.27Å
61P97.8Very high95.3Very high2 Ų240.6 Ų40.61%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-55137.4175.6-30.938.3000113.7W21 Y51 A63 L84 F85W21-P61 HydrophobicContact CD2-CB 4.02Å; W21-P61 HydrophobicContact CD2-CG 4.18Å; W21-P61 HydrophobicContact CE3-CB 3.86Å; W21-P61 HydrophobicContact CE3-CG 3.86Å; W21-P61 HydrophobicContact CH2-CB 3.56Å; W21-P61 HydrophobicContact CH2-CG 4.41Å; W21-P61 HydrophobicContact CZ2-CB 3.73Å; W21-P61 HydrophobicContact CZ3-CB 3.62Å; W21-P61 HydrophobicContact CZ3-CG 3.97Å; Y51-P61 HydrophobicContact CD1-CG 4.16Å; Y51-P61 HydrophobicContact CE1-CG 3.73Å; P61-A63 HydrophobicContact CB-CB 3.89Å; P61-A63 PolarHBondContact O-N 3.38Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.34Å; P61-L84 HydrophobicContact CG-CD1 4.47Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.63Å; P61-F85 HydrophobicContact CB-CD1 4Å; P61-F85 HydrophobicContact CB-CE1 4.04Å; P61-F85 HydrophobicContact CG-CD1 4.05Å; P61-F85 HydrophobicContact CG-CE1 4.02Å
62R97.5Very high95.1Very high8 Ų841.2 Ų41.23%0.0325%0.248CC..  trans-7859.3163.3-61.8179.3-168.3-78.9-0.6109.6H6 N48 Y50 Y51 N126H6-R62 PolarHBondContact N-O 3.21Å; N48-R62 PolarHBondContact O-NE 3.36Å; Y50-R62 WeakPolarHBondContact O-CB 3.48Å; Y50-R62 PolarHBondContact O-N 3.47Å; Y51-R62 PolarHBondContact O-NE 2.82Å; Y51-R62 PolarHBondContact O-NH2 3.03Å; R62-N126 PolarHBondContact NH1-O 2.97Å
63A98Very high95.1Very high1 Ų139.4 Ų39.41%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-113.7141.2-17600000110.7H6 W21 P61 L65 F85 N89H6-A63 CarbonylContact O-C 3.53Å; H6-A63 VanDerWaalsContact O-CA 3.26Å; H6-A63 WeakPolarHBondContact O-CA 3.37Å; W21-A63 HydrophobicContact CZ2-CB 3.63Å; P61-A63 HydrophobicContact CB-CB 3.89Å; P61-A63 PolarHBondContact O-N 3.38Å; A63-L65 HydrophobicContact CB-CD1 4.24Å; A63-F85 HydrophobicContact CB-CD1 3.83Å; A63-F85 HydrophobicContact CB-CE1 3.85Å; A63-N89 WeakPolarHBondContact O-CB 3.35Å; A63-N89 PolarHBondContact O-ND2 2.95Å
64I98.5Very high95.2Very high0 Ų037.4 Ų37.40%023%0.231CC..EExtended strand (participates in β ladder)trans-123.2121.7172.8-50.9172.8000107.2V5 H6 L7 Q8 V66 V116 V119 M120 E123V5-I64 HydrophobicContact CG1-CD1 3.74Å; V5-I64 HydrophobicContact CG1-CG1 4.24Å; H6-I64 PolarHBondContact O-N 3.46Å; L7-I64 WeakPolarHBondContact CA-O 3.49Å; L7-I64 HydrophobicContact CG-CB 4.37Å; L7-I64 HydrophobicContact CG-CD1 4.35Å; Q8-I64 PolarHBondContact N-O 3.32Å; I64-V66 HydrophobicContact CG2-CG2 3.88Å; I64-V116 HydrophobicContact CG2-CG1 4.33Å; I64-V119 HydrophobicContact CD1-CG1 4.19Å; I64-V119 HydrophobicContact CG1-CG1 4.06Å; I64-V119 HydrophobicContact CG2-CG1 3.99Å; I64-M120 HydrophobicContact CD1-CB 3.55Å; I64-M120 HydrophobicContact CD1-CG 3.96Å; I64-E123 HydrophobicContact CD1-CB 4.49Å; I64-E123 HydrophobicContact CD1-CG 4.35Å; I64-E123 HydrophobicContact CG1-CG 4.26Å
65L98.6Very high95.3Very high0 Ų039.7 Ų39.70%025%0.245CC..EExtended strand (participates in β ladder)trans-108.1117.6-174.6-62.593.1000108N14 A63 M73 V76 F85 N89 F90 V91N14-L65 WeakPolarHBondContact OD1-CB 3.45Å; A63-L65 HydrophobicContact CB-CD1 4.24Å; L65-M73 HydrophobicContact CB-CE 4.39Å; L65-M73 HydrophobicContact CB-SD 3.98Å; L65-V76 HydrophobicContact CD2-CB 4.43Å; L65-V76 HydrophobicContact CD2-CG1 3.66Å; L65-F85 HydrophobicContact CD1-CB 4.15Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.45Å; L65-F85 HydrophobicContact CD1-CG 3.93Å; L65-F85 HydrophobicContact CD2-CD2 4.39Å; L65-F85 HydrophobicContact CD2-CE2 4.46Å; L65-N89 PolarHBondContact N-O 3.48Å; L65-F90 HydrophobicContact CB-CD1 4.06Å; L65-F90 HydrophobicContact CB-CE1 4.34Å; L65-F90 HydrophobicContact CD1-CE1 4.4Å; L65-F90 HydrophobicContact CD1-CE2 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.31Å; L65-F90 HydrophobicContact CD2-CD1 4.37Å; L65-F90 HydrophobicContact CD2-CE1 3.8Å; L65-F90 HydrophobicContact CD2-CZ 4.2Å; L65-F90 HydrophobicContact CG-CE1 4.42Å; L65-V91 PolarHBondContact O-N 2.93Å
66V98.4Very high95.7Very high0 Ų031.3 Ų31.30%020%0.204CC..EExtended strand (participates in β ladder)trans-125.9128.2-170.7-171.60000109.8Q8 V9 G10 N14 I64 V91 L112 V116 L147Q8-V66 PolarHBondContact O-N 3.29Å; V9-V66 WeakPolarHBondContact CA-O 3.4Å; V9-V66 HydrophobicContact CG2-CB 4.36Å; G10-V66 PolarHBondContact N-O 2.74Å; N14-V66 PolarHBondContact ND2-O 3.24Å; I64-V66 HydrophobicContact CG2-CG2 3.88Å; V66-V91 VanDerWaalsContact CA-O 3.3Å; V66-V91 WeakPolarHBondContact CA-O 3.49Å; V66-L112 HydrophobicContact CG1-CD2 4.13Å; V66-V116 HydrophobicContact CG1-CG2 3.69Å; V66-V116 HydrophobicContact CG2-CG1 3.68Å; V66-V116 HydrophobicContact CG2-CG2 3.96Å; V66-L147 HydrophobicContact CG1-CD2 3.66Å
67D97.8Very high96Very high3 Ų332 Ų322%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-150.2154.3166.4-151.6-25.2000110.8Q11 E69 T72 M73 V91 F92 G93 T143Q11-D67 PolarHBondContact N-OD2 3.4Å; Q11-D67 VanDerWaalsContact N-OD2 3.07Å; D67-E69 PolarHBondContact O-N 3.46Å; D67-T72 WeakPolarHBondContact OD2-CB 3.17Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.49Å; D67-T72 PolarHBondContact OD2-OG1 3.11Å; D67-M73 HydrophobicContact CB-CE 3.72Å; D67-V91 PolarHBondContact N-O 3.43Å; D67-F92 CarbonylContact O-C 3.58Å; D67-F92 WeakPolarHBondContact O-CA 3.35Å; D67-F92 VanDerWaalsContact O-CB 3.24Å; D67-F92 WeakPolarHBondContact O-CB 3.47Å; D67-G93 PolarHBondContact O-N 2.94Å; D67-T143 PolarHBondContact OD1-OG1 3.37Å
68L97.3Very high96.2Very high1 Ų134.6 Ų34.61%0.00520%0.201CC..SBendtrans-80-10.5175.6-71173.1000112.2G93 Q94 S95 A97 E108 L112 T143 L147L68-G93 CarbonylContact O-C 3.39Å; L68-G93 WeakPolarHBondContact O-CA 3.38Å; L68-Q94 PolarHBondContact O-N 3.3Å; L68-S95 WeakPolarHBondContact CB-O 3.49Å; L68-S95 CarbonylContact O-C 3.41Å; L68-S95 PolarHBondContact O-N 2.96Å; L68-S95 VanDerWaalsContact O-O 3.13Å; L68-A97 HydrophobicContact CD1-CB 3.67Å; L68-E108 HydrophobicContact CD1-CB 3.94Å; L68-E108 HydrophobicContact CD2-CB 3.93Å; L68-E108 WeakPolarHBondContact CD2-O 3.36Å; L68-E108 HydrophobicContact CG-CB 4.49Å; L68-L112 HydrophobicContact CD2-CB 4.22Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; L68-T143 HydrophobicContact CB-CG2 4.28Å; L68-T143 HydrophobicContact CD1-CG2 4.06Å; L68-T143 HydrophobicContact CG-CG2 3.82Å; L68-L147 HydrophobicContact CD2-CD2 4.05Å; L68-L147 HydrophobicContact CG-CD2 4.11Å
69E93.7Very high96.2Very high97 Ų9731 Ų3145%0.45319%0.192SC..SBendtrans-122.9143.3179.1-62.9-177.9115.600112.1D67 G71D67-E69 PolarHBondContact O-N 3.46Å; E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å
70P94.6Very high96Very high41 Ų4134.6 Ų34.627%0.26622%0.219SC..Hα-helixtrans-69.4-26.5-179.926.8-34.4000113.4T72 M73 D74 F92P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.41Å; P70-M73 WeakPolarHBondContact O-CB 3.28Å; P70-M73 PolarHBondContact O-N 2.88Å; P70-D74 PolarHBondContact O-N 3.15Å; P70-F92 HydrophobicContact CB-CD2 3.88Å; P70-F92 HydrophobicContact CB-CE2 3.99Å
71G93.8Very high95.9Very high41 Ų4135 Ų3542%0.42322%0.218SC..Hα-helixtrans-60-37.9-170.900000114.3E69 S75E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å; G71-S75 WeakPolarHBondContact O-CB 3.38Å; G71-S75 PolarHBondContact O-N 3.03Å; G71-S75 VanDerWaalsContact O-N 3.13Å; G71-S75 PolarHBondContact O-OG 3.42Å
72T92.7Very high95.7Very high16 Ų1635.1 Ų35.110%0.09822%0.22CC..Hα-helixtrans-65.4-44.8174.1-56.90000110.8N14 D67 P70 D74 S75 V76N14-T72 HydrophobicContact CB-CG2 3.53Å; D67-T72 WeakPolarHBondContact OD2-CB 3.17Å; D67-T72 WeakPolarHBondContact OD2-CG2 3.49Å; D67-T72 PolarHBondContact OD2-OG1 3.11Å; P70-T72 VanDerWaalsContact C-N 3.33Å; P70-T72 PolarHBondContact O-N 3.41Å; T72-D74 PolarHBondContact O-N 2.9Å; T72-S75 WeakPolarHBondContact O-CB 3.35Å; T72-S75 PolarHBondContact O-N 3.42Å; T72-V76 WeakPolarHBondContact O-CG2 3.38Å; T72-V76 PolarHBondContact O-N 3.02Å
73M95Very high95.5Very high0 Ų043 Ų430%026%0.258CS..Hα-helixtrans-63.4-42.9-178.8-60.4-6192.900111.7N14 L65 D67 P70 S75 V76 R77 F90 F92N14-M73 HydrophobicContact CB-CE 4.27Å; N14-M73 VanDerWaalsContact CG-CE 3.41Å; N14-M73 WeakPolarHBondContact ND2-CE 3.09Å; N14-M73 WeakPolarHBondContact OD1-CE 3.2Å; L65-M73 HydrophobicContact CB-CE 4.39Å; L65-M73 HydrophobicContact CB-SD 3.98Å; D67-M73 HydrophobicContact CB-CE 3.72Å; P70-M73 WeakPolarHBondContact O-CB 3.28Å; P70-M73 PolarHBondContact O-N 2.88Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.18Å; M73-V76 PolarHBondContact O-N 3.46Å; M73-R77 WeakPolarHBondContact O-CG 3.31Å; M73-R77 PolarHBondContact O-N 3.47Å; M73-F90 HydrophobicContact CB-CD1 4.23Å; M73-F90 HydrophobicContact CG-CD1 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.76Å; M73-F92 HydrophobicContact CB-CD1 4.35Å; M73-F92 HydrophobicContact CG-CB 3.71Å; M73-F92 HydrophobicContact CG-CD1 3.81Å; M73-F92 HydrophobicContact CG-CG 3.82Å
74D95.2Very high95.5Very high84 Ų8443.2 Ų43.245%0.44926%0.258SS..Hα-helixtrans-63.7-37.8176.9-68.7-22.9000111.5P70 T72 R77 A78P70-D74 PolarHBondContact O-N 3.15Å; T72-D74 PolarHBondContact O-N 2.9Å; D74-R77 PolarHBondContact O-N 3.37Å; D74-R77 IonicContact OD1-NH1 2.76Å; D74-R77 PolarHBondContact OD1-NH1 3.5Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.3Å; D74-A78 PolarHBondContact O-N 2.77Å
75S95.2Very high95.4Very high85 Ų8543.6 Ų43.659%0.59426%0.26SS*.Hα-helixtrans-63.3-41.9174.5-58.60000112.1G71 T72 M73 G79G71-S75 WeakPolarHBondContact O-CB 3.38Å; G71-S75 PolarHBondContact O-N 3.03Å; G71-S75 VanDerWaalsContact O-N 3.13Å; G71-S75 PolarHBondContact O-OG 3.42Å; T72-S75 WeakPolarHBondContact O-CB 3.35Å; T72-S75 PolarHBondContact O-N 3.42Å; M73-S75 VanDerWaalsContact C-N 3.29Å; M73-S75 PolarHBondContact O-N 3.18Å; S75-G79 PolarHBondContact O-N 2.85Å; S75-G79 VanDerWaalsContact O-N 3.11Å
76V95.7Very high95.3Very high13 Ų1347.2 Ų47.28%0.07927%0.274CS..Hα-helixtrans-66.6-45.1176.2177.60000111N14 S18 L65 T72 M73 A78 G79 G82 F85 F90N14-V76 HydrophobicContact CB-CG2 4.19Å; S18-V76 WeakPolarHBondContact OG-CG2 3.42Å; L65-V76 HydrophobicContact CD2-CB 4.43Å; L65-V76 HydrophobicContact CD2-CG1 3.66Å; T72-V76 WeakPolarHBondContact O-CG2 3.38Å; T72-V76 PolarHBondContact O-N 3.02Å; M73-V76 PolarHBondContact O-N 3.46Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.03Å; V76-G79 WeakPolarHBondContact O-CA 3.32Å; V76-G79 PolarHBondContact O-N 2.91Å; V76-G82 WeakPolarHBondContact O-CA 3.32Å; V76-F85 HydrophobicContact CG1-CD2 4.27Å; V76-F85 HydrophobicContact CG1-CE2 4.07Å; V76-F90 HydrophobicContact CB-CE1 4.35Å; V76-F90 HydrophobicContact CG1-CE1 4.14Å; V76-F90 HydrophobicContact CG1-CZ 4.46Å
77R95.4Very high95.1Very high91 Ų9151.8 Ų51.834%0.34330%0.303SS..Hα-helixtrans-61.9-37.8178.1-73.4178-174.2140.8-2.6113M73 D74 F90M73-R77 WeakPolarHBondContact O-CG 3.31Å; M73-R77 PolarHBondContact O-N 3.47Å; D74-R77 PolarHBondContact O-N 3.37Å; D74-R77 IonicContact OD1-NH1 2.76Å; D74-R77 PolarHBondContact OD1-NH1 3.5Å; R77-F90 HydrophobicContact CG-CD1 4.3Å; R77-F90 HydrophobicContact CG-CE1 3.73Å; R77-F90 HydrophobicContact CG-CZ 3.85Å; R77-F90 VanDerWaalsContact NH2-CB 3.34Å
78A95.3Very high95Very high88 Ų8857.6 Ų57.673%0.72733%0.334SS*.Hα-helixtrans-75.3-14.9175.400000112.9D74 V76D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.3Å; D74-A78 PolarHBondContact O-N 2.77Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.03Å
79G94.2Very high95.1Very high25 Ų2557.8 Ų57.826%0.25834%0.335SS..SBendtrans-68.4163.2177.500000112.8S75 V76 F81 G82S75-G79 PolarHBondContact O-N 2.85Å; S75-G79 VanDerWaalsContact O-N 3.11Å; V76-G79 WeakPolarHBondContact O-CA 3.32Å; V76-G79 PolarHBondContact O-N 2.91Å; G79-F81 PolarHBondContact O-N 2.9Å; G79-F81 VanDerWaalsContact O-N 3.14Å; G79-G82 PolarHBondContact O-N 3.26Å
80P94Very high95.3Very high101 Ų10153.9 Ų53.966%0.65632%0.317SS*.THydrogen-bonded Turntrans-56.4-36-174.5-25.334.2000113.9P32P32-P80 VanDerWaalsContact CB-O 3.28Å; P32-P80 WeakPolarHBondContact CB-O 3.33Å
81F95.2Very high95.4Very high38 Ų3852.6 Ų52.617%0.16731%0.308CS..THydrogen-bonded Turntrans-99.911.4179.7-73.7-98.4000113.4E22 P32 G79 Q83 L84E22-F81 HydrophobicContact CB-CD2 4.37Å; E22-F81 HydrophobicContact CB-CE2 4.14Å; E22-F81 HydrophobicContact CG-CD2 3.5Å; E22-F81 HydrophobicContact CG-CE2 3.66Å; E22-F81 HydrophobicContact CG-CG 4.28Å; P32-F81 HydrophobicContact CB-CD1 4.15Å; P32-F81 HydrophobicContact CB-CE1 4.31Å; P32-F81 HydrophobicContact CB-CG 4.4Å; P32-F81 HydrophobicContact CG-CD1 4.2Å; P32-F81 HydrophobicContact CG-CD2 4.42Å; P32-F81 HydrophobicContact CG-CE1 3.92Å; P32-F81 HydrophobicContact CG-CE2 4.15Å; P32-F81 HydrophobicContact CG-CG 4.46Å; P32-F81 HydrophobicContact CG-CZ 3.9Å; G79-F81 PolarHBondContact O-N 2.9Å; G79-F81 VanDerWaalsContact O-N 3.14Å; F81-Q83 PolarHBondContact O-N 2.9Å; F81-L84 HydrophobicContact CB-CB 4.48Å; F81-L84 HydrophobicContact CD1-CD2 3.84Å; F81-L84 WeakPolarHBondContact O-CB 3.5Å; F81-L84 PolarHBondContact O-N 2.86Å
82G94Very high95.6Very high5 Ų553.6 Ų53.65%0.05230%0.301CS..G310 helixtrans-59.3-31.9-176.100000114.1V76 G79 L84V76-G82 WeakPolarHBondContact O-CA 3.32Å; G79-G82 PolarHBondContact O-N 3.26Å; G82-L84 VanDerWaalsContact C-N 3.32Å
83Q93.9Very high95.7Very high174 Ų17453.4 Ų53.481%0.81330%0.302SS*.G310 helixtrans-80.6-9.5178.4-62.7-1755.800114.1F81 F85F81-Q83 PolarHBondContact O-N 2.9Å; Q83-F85 VanDerWaalsContact C-N 3.31Å
84L96.4Very high95.5Very high5 Ų560.7 Ų60.73%0.02634%0.336CS..G310 helixtrans-71-32.6178.1-17764.5000110.8S25 I30 Y51 Y59 P61 F81 G82S25-L84 WeakPolarHBondContact OG-CD2 3.44Å; I30-L84 HydrophobicContact CG2-CD1 4.18Å; Y51-L84 HydrophobicContact CE1-CD2 4.35Å; Y59-L84 WeakPolarHBondContact O-CD1 3.18Å; P61-L84 VanDerWaalsContact CD-O 3.28Å; P61-L84 WeakPolarHBondContact CD-O 3.34Å; P61-L84 HydrophobicContact CG-CD1 4.47Å; P61-L84 HydrophobicContact CG-CD2 3.65Å; P61-L84 HydrophobicContact CG-CG 3.63Å; F81-L84 HydrophobicContact CB-CB 4.48Å; F81-L84 HydrophobicContact CD1-CD2 3.84Å; F81-L84 WeakPolarHBondContact O-CB 3.5Å; F81-L84 PolarHBondContact O-N 2.86Å; G82-L84 VanDerWaalsContact C-N 3.32Å
85F96.8Very high95.2Very high8 Ų859.2 Ų59.24%0.03533%0.333CS..SBendtrans-79.2145.4-177.7-58-68.2000112.5W21 P61 A63 L65 V76 Q83 F90W21-F85 HydrophobicContact CB-CE1 4.23Å; W21-F85 HydrophobicContact CB-CZ 3.81Å; W21-F85 AromaticContact CD1-CE1 3.32Å; W21-F85 AromaticContact CD1-CZ 3.39Å; W21-F85 HydrophobicContact CD2-CE1 4.12Å; W21-F85 AromaticContact CG-CE1 3.65Å; W21-F85 HydrophobicContact CG-CE1 3.65Å; W21-F85 AromaticContact CG-CZ 3.68Å; W21-F85 HydrophobicContact CG-CZ 3.68Å; W21-F85 AromaticContact NE1-CE1 3.58Å; P61-F85 HydrophobicContact CB-CD1 4Å; P61-F85 HydrophobicContact CB-CE1 4.04Å; P61-F85 HydrophobicContact CG-CD1 4.05Å; P61-F85 HydrophobicContact CG-CE1 4.02Å; A63-F85 HydrophobicContact CB-CD1 3.83Å; A63-F85 HydrophobicContact CB-CE1 3.85Å; L65-F85 HydrophobicContact CD1-CB 4.15Å; L65-F85 HydrophobicContact CD1-CD1 3.86Å; L65-F85 HydrophobicContact CD1-CE1 4.45Å; L65-F85 HydrophobicContact CD1-CG 3.93Å; L65-F85 HydrophobicContact CD2-CD2 4.39Å; L65-F85 HydrophobicContact CD2-CE2 4.46Å; V76-F85 HydrophobicContact CG1-CD2 4.27Å; V76-F85 HydrophobicContact CG1-CE2 4.07Å; Q83-F85 VanDerWaalsContact C-N 3.31Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.75Å; F85-F90 HydrophobicContact CD2-CZ 4.13Å; F85-F90 HydrophobicContact CG-CE2 4.47Å; F85-F90 HydrophobicContact CG-CZ 4.25Å
86R95.8Very high95Very high75 Ų7555.7 Ų55.728%0.28331%0.31SS..  trans-64.9128.5173-174.9177.4-71173.6-5.6109.6V60 D88 N89 F90 E123V60-R86 HydrophobicContact CG1-CB 4.27Å; R86-D88 HydrophobicContact CG-CB 4.27Å; R86-D88 PolarHBondContact O-N 2.84Å; R86-N89 HydrophobicContact CB-CB 4.27Å; R86-N89 WeakPolarHBondContact CD-OD1 3.48Å; R86-N89 WeakPolarHBondContact O-CB 3.46Å; R86-N89 PolarHBondContact O-N 3.06Å; R86-F90 WeakPolarHBondContact O-CD2 3.44Å; R86-E123 IonicContact CZ-OE1 3.91Å; R86-E123 IonicContact NH1-OE1 3.98Å; R86-E123 PolarHBondContact NH1-OE1 2.88Å; R86-E123 VanDerWaalsContact NH1-OE1 3.13Å
87P95.6Very high94.8Very high96 Ų9655.2 Ų55.262%0.62331%0.307SS*.G310 helixtrans-55.7-37.9179.6-2936.2000113.9N89 F90P87-N89 PolarHBondContact O-N 3.47Å; P87-F90 WeakPolarHBondContact O-CD2 3.49Å; P87-F90 PolarHBondContact O-N 3.49Å
88D96.3Very high94.5Very high125 Ų12554 Ų5467%0.66832%0.323SS*.G310 helixtrans-69.4-12.4179.5-60.4-21.2000113.5R86 F90 V119R86-D88 HydrophobicContact CG-CB 4.27Å; R86-D88 PolarHBondContact O-N 2.84Å; D88-F90 VanDerWaalsContact C-N 3.35Å; D88-V119 WeakPolarHBondContact O-CG2 3.46Å
89N97.7Very high94.4Very high5 Ų553.3 Ų53.33%0.02731%0.307CS..G310 helixtrans-92.11.4179.7-66.823.3000113A63 L65 R86 P87 V119 E123A63-N89 WeakPolarHBondContact O-CB 3.35Å; A63-N89 PolarHBondContact O-ND2 2.95Å; L65-N89 PolarHBondContact N-O 3.48Å; R86-N89 HydrophobicContact CB-CB 4.27Å; R86-N89 WeakPolarHBondContact CD-OD1 3.48Å; R86-N89 WeakPolarHBondContact O-CB 3.46Å; R86-N89 PolarHBondContact O-N 3.06Å; P87-N89 PolarHBondContact O-N 3.47Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; N89-E123 VanDerWaalsContact ND2-CD 3.3Å; N89-E123 PolarHBondContact ND2-OE1 2.89Å
90F98Very high94.5Very high16 Ų1652.6 Ų52.67%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-89.6108.9168.3-68.5-101.2000108.8L65 M73 V76 R77 F85 R86 P87 D88 F92L65-F90 HydrophobicContact CB-CD1 4.06Å; L65-F90 HydrophobicContact CB-CE1 4.34Å; L65-F90 HydrophobicContact CD1-CE1 4.4Å; L65-F90 HydrophobicContact CD1-CE2 4.44Å; L65-F90 HydrophobicContact CD1-CZ 4.31Å; L65-F90 HydrophobicContact CD2-CD1 4.37Å; L65-F90 HydrophobicContact CD2-CE1 3.8Å; L65-F90 HydrophobicContact CD2-CZ 4.2Å; L65-F90 HydrophobicContact CG-CE1 4.42Å; M73-F90 HydrophobicContact CB-CD1 4.23Å; M73-F90 HydrophobicContact CG-CD1 4.48Å; M73-F90 HydrophobicContact SD-CD1 3.76Å; V76-F90 HydrophobicContact CB-CE1 4.35Å; V76-F90 HydrophobicContact CG1-CE1 4.14Å; V76-F90 HydrophobicContact CG1-CZ 4.46Å; R77-F90 HydrophobicContact CG-CD1 4.3Å; R77-F90 HydrophobicContact CG-CE1 3.73Å; R77-F90 HydrophobicContact CG-CZ 3.85Å; R77-F90 VanDerWaalsContact NH2-CB 3.34Å; F85-F90 HydrophobicContact CB-CE2 3.54Å; F85-F90 HydrophobicContact CB-CZ 3.75Å; F85-F90 HydrophobicContact CD2-CZ 4.13Å; F85-F90 HydrophobicContact CG-CE2 4.47Å; F85-F90 HydrophobicContact CG-CZ 4.25Å; R86-F90 WeakPolarHBondContact O-CD2 3.44Å; P87-F90 WeakPolarHBondContact O-CD2 3.49Å; P87-F90 PolarHBondContact O-N 3.49Å; D88-F90 VanDerWaalsContact C-N 3.35Å; F90-F92 HydrophobicContact CB-CD1 4.45Å
91V98.1Very high94.7Very high13 Ų1347.9 Ų47.98%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-115.2117.5179.3-175.80000108.3L65 V66 D67 L112 V116 V119L65-V91 PolarHBondContact O-N 2.93Å; V66-V91 VanDerWaalsContact CA-O 3.3Å; V66-V91 WeakPolarHBondContact CA-O 3.49Å; D67-V91 PolarHBondContact N-O 3.43Å; V91-L112 HydrophobicContact CG1-CD1 3.76Å; V91-L112 HydrophobicContact CG1-CD2 4.43Å; V91-L112 HydrophobicContact CG1-CG 4.03Å; V91-V116 HydrophobicContact CB-CG2 4.03Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; V91-V119 HydrophobicContact CG2-CB 4.26Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å
92F97.3Very high94.8Very high63 Ų6346 Ų4628%0.27626%0.258SS..EExtended strand (participates in β ladder)trans-145.3148.3-176.259.2-80.2000114.9D67 P70 M73 F90D67-F92 CarbonylContact O-C 3.58Å; D67-F92 WeakPolarHBondContact O-CA 3.35Å; D67-F92 VanDerWaalsContact O-CB 3.24Å; D67-F92 WeakPolarHBondContact O-CB 3.47Å; P70-F92 HydrophobicContact CB-CD2 3.88Å; P70-F92 HydrophobicContact CB-CE2 3.99Å; M73-F92 HydrophobicContact CB-CD1 4.35Å; M73-F92 HydrophobicContact CG-CB 3.71Å; M73-F92 HydrophobicContact CG-CD1 3.81Å; M73-F92 HydrophobicContact CG-CG 3.82Å; F90-F92 HydrophobicContact CB-CD1 4.45Å
93G94.4Very high95Very high12 Ų1247.9 Ų47.912%0.12427%0.265CS..  trans-83.5-175.1175.200000113.3D67 L68D67-G93 PolarHBondContact O-N 2.94Å; L68-G93 CarbonylContact O-C 3.39Å; L68-G93 WeakPolarHBondContact O-CA 3.38Å
94Q92Very high95.2Very high153 Ų15339.6 Ų39.672%0.71523%0.226SC*.SBendtrans-108.2-12.3174.7-62.5-60.8-43.900113L68L68-Q94 PolarHBondContact O-N 3.3Å
95S89Confident95.3Very high53 Ų5340.4 Ų40.437%0.37123%0.23SC..SBendtrans-137.7126-169.8-67.10000110.1L68 E108L68-S95 WeakPolarHBondContact CB-O 3.49Å; L68-S95 CarbonylContact O-C 3.41Å; L68-S95 PolarHBondContact O-N 2.96Å; L68-S95 VanDerWaalsContact O-O 3.13Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 VanDerWaalsContact CB-OE1 3.25Å; S95-E108 WeakPolarHBondContact CB-OE1 3.37Å; S95-E108 WeakPolarHBondContact CB-OE2 3.48Å
96G89.1Confident95.3Very high11 Ų1144.1 Ų44.111%0.11324%0.244CC..  trans-71.8161.5179.700000114.7G98 K103G96-G98 PolarHBondContact O-N 3.05Å; G96-K103 PolarHBondContact O-NZ 3.19Å
97A91.5Very high95.3Very high3 Ų342.4 Ų42.43%0.02524%0.242CC..  trans-75.1-7.3172.800000113.9L68 N99 N100 K103L68-A97 HydrophobicContact CD1-CB 3.67Å; A97-N99 VanDerWaalsContact C-N 3.27Å; A97-N99 PolarHBondContact O-N 3.49Å; A97-N100 WeakPolarHBondContact O-CB 3.48Å; A97-N100 PolarHBondContact O-N 2.84Å; A97-K103 HydrophobicContact CB-CB 4.43Å
98G90.6Very high95.4Very high65 Ų6539.7 Ų39.767%0.6722%0.221SC*.THydrogen-bonded Turntrans56.138176.800000114.1G96 N100G96-G98 PolarHBondContact O-N 3.05Å; G98-N100 PolarHBondContact O-N 3.37Å
99N92.7Very high95.4Very high73 Ų7333.7 Ų33.739%0.3919%0.189SC..THydrogen-bonded Turntrans59.919.1-173.7-64.6-32.7000115.8A97 T178 V180 N184A97-N99 VanDerWaalsContact C-N 3.27Å; A97-N99 PolarHBondContact O-N 3.49Å; N99-T178 HydrophobicContact CB-CG2 3.63Å; N99-T178 PolarHBondContact ND2-OG1 3.26Å; N99-V180 WeakPolarHBondContact O-CG2 3.44Å; N99-N184 PolarHBondContact O-ND2 3.01Å
100N96.5Very high95.3Very high10 Ų1035.4 Ų35.45%0.05320%0.204CC..  trans-106.6118.6179.4-175.9-17.5000110.9A97 G98 A102 K103 G104 W397 Y398A97-N100 WeakPolarHBondContact O-CB 3.48Å; A97-N100 PolarHBondContact O-N 2.84Å; G98-N100 PolarHBondContact O-N 3.37Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.15Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 2.72Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 3.49Å; N100-K103 PolarHBondContact OD1-N 3.18Å; N100-G104 PolarHBondContact O-N 3.02Å; N100-G104 VanDerWaalsContact O-N 3.1Å; N100-W397 PolarHBondContact ND2-O 3.22Å; N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.4Å
101W98Very high95.2Very high2 Ų242 Ų421%0.00824%0.235CC..Hα-helixtrans-58.8-43.4176.5-179.5103.7000112.1K103 G104 H105 Y106 S145 G146 T149 N184 L187 S188 Q191 Y398 M403W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 2.95Å; W101-G104 CarbonylContact O-C 3.52Å; W101-G104 WeakPolarHBondContact O-CA 3.26Å; W101-G104 PolarHBondContact O-N 2.95Å; W101-G104 VanDerWaalsContact O-N 3.07Å; W101-H105 HydrophobicContact CD2-CB 4.25Å; W101-H105 HydrophobicContact CE3-CB 4.02Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.8Å; W101-H105 AromaticContact CH2-CE1 3.88Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.52Å; W101-H105 HydrophobicContact CZ2-CB 4.12Å; W101-H105 AromaticContact CZ2-CE1 3.91Å; W101-H105 AromaticContact CZ2-CG 3.74Å; W101-H105 AromaticContact CZ2-ND1 3.37Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.49Å; W101-H105 HydrophobicContact CZ3-CB 3.83Å; W101-H105 AromaticContact CZ3-CG 3.89Å; W101-H105 WeakPolarHBondContact O-CB 3.41Å; W101-H105 PolarHBondContact O-N 2.96Å; W101-Y106 HydrophobicContact CH2-CE2 4.4Å; W101-Y106 HydrophobicContact CZ3-CD2 4.38Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; W101-S145 PolarHBondContact NE1-O 3.06Å; W101-G146 VanDerWaalsContact CD1-CA 3.5Å; W101-G146 VanDerWaalsContact CD1-N 3.34Å; W101-G146 WeakPolarHBondContact O-CA 3.48Å; W101-T149 PolarHBondContact NE1-OG1 2.88Å; W101-N184 HydrophobicContact CB-CB 4.21Å; W101-N184 WeakPolarHBondContact CB-OD1 3.32Å; W101-N184 PolarHBondContact N-OD1 3.47Å; W101-L187 HydrophobicContact CB-CD1 4.29Å; W101-L187 HydrophobicContact CD2-CB 3.8Å; W101-L187 HydrophobicContact CD2-CD1 3.88Å; W101-L187 HydrophobicContact CD2-CG 4.44Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.45Å; W101-L187 HydrophobicContact CG-CB 4.06Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CZ2-CB 4.23Å; W101-L187 HydrophobicContact CZ3-CD1 4.33Å; W101-S188 PolarHBondContact NE1-OG 3.11Å; W101-Q191 HydrophobicContact CZ2-CG 4.23Å; W101-Y398 HydrophobicContact CB-CE1 3.98Å; W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.49Å; W101-M403 HydrophobicContact CZ3-SD 4.07Å
102A98.2Very high95.2Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-64.3-37.4-178.900000111.4N100 G104 H105 Y106 Y398 E401 M403N100-A102 VanDerWaalsContact C-N 3.34Å; N100-A102 PolarHBondContact O-N 3.15Å; N100-A102 WeakPolarHBondContact OD1-CB 3.32Å; N100-A102 PolarHBondContact OD1-N 2.72Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.35Å; A102-H105 PolarHBondContact O-N 3.43Å; A102-H105 VanDerWaalsContact O-N 3.15Å; A102-Y106 HydrophobicContact CB-CD2 4.18Å; A102-Y106 WeakPolarHBondContact O-CB 3.48Å; A102-Y106 PolarHBondContact O-N 3.16Å; A102-Y398 HydrophobicContact CB-CD1 3.8Å; A102-Y398 HydrophobicContact CB-CG 4.25Å; A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; A102-M403 HydrophobicContact CB-CB 4.01Å; A102-M403 HydrophobicContact CB-SD 4Å
103K97.5Very high95.2Very high43 Ų4339.7 Ų39.719%0.18723%0.225CC..Iπ-helixtrans-63.9-41.4173.5-164.6170.4-164.2-126.30111.8G96 A97 N100 W101 H105 T107 E108 E401G96-K103 PolarHBondContact O-NZ 3.19Å; A97-K103 HydrophobicContact CB-CB 4.43Å; N100-K103 HydrophobicContact CB-CB 3.91Å; N100-K103 PolarHBondContact O-N 3.49Å; N100-K103 PolarHBondContact OD1-N 3.18Å; W101-K103 VanDerWaalsContact C-N 3.3Å; W101-K103 PolarHBondContact O-N 2.95Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.49Å; K103-T107 VanDerWaalsContact CA-OG1 3.3Å; K103-T107 WeakPolarHBondContact CA-OG1 2.95Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.28Å; K103-T107 PolarHBondContact O-N 3.18Å; K103-T107 PolarHBondContact O-OG1 3.13Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 WeakPolarHBondContact CE-OE1 3.5Å; K103-E108 HydrophobicContact CG-CG 3.8Å; K103-E108 IonicContact NZ-OE1 2.84Å; K103-E108 PolarHBondContact NZ-OE1 3.08Å; K103-E108 PolarHBondContact O-N 3.28Å; K103-E401 HydrophobicContact CB-CG 4.04Å
104G97.4Very high95.4Very high0 Ų044.3 Ų44.30%025%0.247CC..Iπ-helixtrans-68.8-19.7174.200000114.2N100 W101 A102 G109 G146 L147N100-G104 PolarHBondContact O-N 3.02Å; N100-G104 VanDerWaalsContact O-N 3.1Å; W101-G104 CarbonylContact O-C 3.52Å; W101-G104 WeakPolarHBondContact O-CA 3.26Å; W101-G104 PolarHBondContact O-N 2.95Å; W101-G104 VanDerWaalsContact O-N 3.07Å; A102-G104 VanDerWaalsContact C-N 3.33Å; A102-G104 PolarHBondContact O-N 3.35Å; G104-G109 VanDerWaalsContact O-CA 3.25Å; G104-G109 WeakPolarHBondContact O-CA 3.31Å; G104-G146 CarbonylContact O-C 3.58Å; G104-L147 WeakPolarHBondContact O-CA 3.38Å; G104-L147 WeakPolarHBondContact O-CB 3.38Å; G104-L147 PolarHBondContact O-N 3.02Å
105H98.2Very high95.7Very high22 Ų2240 Ų4010%0.10223%0.233CC..Iπ-helixtrans-105.6-46.4-174.5-166.295.3000113.1W101 A102 K103 G146 L150W101-H105 HydrophobicContact CD2-CB 4.25Å; W101-H105 HydrophobicContact CE3-CB 4.02Å; W101-H105 HydrophobicContact CH2-CB 3.87Å; W101-H105 AromaticContact CH2-CD2 3.8Å; W101-H105 AromaticContact CH2-CE1 3.88Å; W101-H105 AromaticContact CH2-CG 3.45Å; W101-H105 VanDerWaalsContact CH2-CG 3.45Å; W101-H105 AromaticContact CH2-ND1 3.52Å; W101-H105 HydrophobicContact CZ2-CB 4.12Å; W101-H105 AromaticContact CZ2-CE1 3.91Å; W101-H105 AromaticContact CZ2-CG 3.74Å; W101-H105 AromaticContact CZ2-ND1 3.37Å; W101-H105 WeakPolarHBondContact CZ2-ND1 3.49Å; W101-H105 HydrophobicContact CZ3-CB 3.83Å; W101-H105 AromaticContact CZ3-CG 3.89Å; W101-H105 WeakPolarHBondContact O-CB 3.41Å; W101-H105 PolarHBondContact O-N 2.96Å; A102-H105 PolarHBondContact O-N 3.43Å; A102-H105 VanDerWaalsContact O-N 3.15Å; K103-H105 VanDerWaalsContact C-N 3.26Å; K103-H105 PolarHBondContact O-N 3.49Å; H105-G146 PolarHBondContact ND1-O 2.9Å; H105-L150 WeakPolarHBondContact O-CD2 3.31Å
106Y97.5Very high96.1Very high87 Ų8737.4 Ų37.434%0.34122%0.216SC..Iπ-helixtrans-100.2-21.1-171.1-69.2-62.5000114.4W101 A102 M403 E407W101-Y106 HydrophobicContact CH2-CE2 4.4Å; W101-Y106 HydrophobicContact CZ3-CD2 4.38Å; W101-Y106 AromaticContact CZ3-CE2 3.78Å; W101-Y106 HydrophobicContact CZ3-CE2 3.78Å; A102-Y106 HydrophobicContact CB-CD2 4.18Å; A102-Y106 WeakPolarHBondContact O-CB 3.48Å; A102-Y106 PolarHBondContact O-N 3.16Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.43Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.78Å; Y106-M403 HydrophobicContact CE2-SD 4.49Å; Y106-E407 PolarHBondContact OH-OE1 3.45Å; Y106-E407 PolarHBondContact OH-OE2 3.07Å
107T96.4Very high96.5Very high38 Ų3837.1 Ų37.123%0.23321%0.211CC..Iπ-helixtrans-119.9-96.1-175.660.70000111.8K103 G109 A110 E111 E401K103-T107 VanDerWaalsContact CA-OG1 3.3Å; K103-T107 WeakPolarHBondContact CA-OG1 2.95Å; K103-T107 VanDerWaalsContact CG-OG1 3.26Å; K103-T107 WeakPolarHBondContact CG-OG1 3.28Å; K103-T107 PolarHBondContact O-N 3.18Å; K103-T107 PolarHBondContact O-OG1 3.13Å; T107-G109 VanDerWaalsContact C-N 3.28Å; T107-G109 PolarHBondContact O-N 3.29Å; T107-A110 WeakPolarHBondContact O-CB 3.38Å; T107-A110 PolarHBondContact O-N 3.36Å; T107-E111 PolarHBondContact O-N 3.09Å; T107-E401 WeakPolarHBondContact CB-OE2 3.36Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.37Å; T107-E401 PolarHBondContact OG1-OE2 2.93Å
108E96.3Very high96.9Very high39 Ų3940.9 Ų40.918%0.18223%0.231CC..Hα-helixtrans-57.4-39.9-173.1-57.4-73.3-177.900112.4L68 S95 K103 L112L68-E108 HydrophobicContact CD1-CB 3.94Å; L68-E108 HydrophobicContact CD2-CB 3.93Å; L68-E108 WeakPolarHBondContact CD2-O 3.36Å; L68-E108 HydrophobicContact CG-CB 4.49Å; S95-E108 VanDerWaalsContact CB-CD 3.48Å; S95-E108 VanDerWaalsContact CB-OE1 3.25Å; S95-E108 WeakPolarHBondContact CB-OE1 3.37Å; S95-E108 WeakPolarHBondContact CB-OE2 3.48Å; K103-E108 HydrophobicContact CD-CG 4.15Å; K103-E108 WeakPolarHBondContact CE-OE1 3.5Å; K103-E108 HydrophobicContact CG-CG 3.8Å; K103-E108 IonicContact NZ-OE1 2.84Å; K103-E108 PolarHBondContact NZ-OE1 3.08Å; K103-E108 PolarHBondContact O-N 3.28Å; E108-L112 PolarHBondContact O-N 3.41Å
109G96.4Very high97.2Very high0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-74.5-32.317700000114.1G104 T107 E111 L112 V113G104-G109 VanDerWaalsContact O-CA 3.25Å; G104-G109 WeakPolarHBondContact O-CA 3.31Å; T107-G109 VanDerWaalsContact C-N 3.28Å; T107-G109 PolarHBondContact O-N 3.29Å; G109-E111 VanDerWaalsContact C-N 3.26Å; G109-E111 PolarHBondContact O-N 2.73Å; G109-L112 PolarHBondContact O-N 3.01Å; G109-V113 WeakPolarHBondContact O-CB 3.38Å; G109-V113 PolarHBondContact O-N 3.36Å
110A96.4Very high97.5Very high41 Ų4135 Ų3534%0.33919%0.185SC..Hα-helixtrans-65.6-31.9174.100000111.7T107 V113T107-A110 WeakPolarHBondContact O-CB 3.38Å; T107-A110 PolarHBondContact O-N 3.36Å; A110-V113 WeakPolarHBondContact O-CG1 3.43Å
111E96.3Very high97.6Very high155 Ų15537.9 Ų37.972%0.72420%0.195SC*.Hα-helixtrans-71.8-31.7173.7-66.5-173.7179.800112.7T107 G109T107-E111 PolarHBondContact O-N 3.09Å; G109-E111 VanDerWaalsContact C-N 3.26Å; G109-E111 PolarHBondContact O-N 2.73Å
112L97.2Very high97.6Very high18 Ų1843.7 Ų43.79%0.09422%0.22CC..Hα-helixtrans-88.5-25.3-176.8-165.564.8000113.6V66 L68 V91 E108 G109 D114 S115 V116 L147V66-L112 HydrophobicContact CG1-CD2 4.13Å; L68-L112 HydrophobicContact CD2-CB 4.22Å; L68-L112 HydrophobicContact CD2-CD2 3.86Å; V91-L112 HydrophobicContact CG1-CD1 3.76Å; V91-L112 HydrophobicContact CG1-CD2 4.43Å; V91-L112 HydrophobicContact CG1-CG 4.03Å; E108-L112 PolarHBondContact O-N 3.41Å; G109-L112 PolarHBondContact O-N 3.01Å; L112-D114 PolarHBondContact O-N 3.45Å; L112-S115 WeakPolarHBondContact O-CB 3.44Å; L112-S115 PolarHBondContact O-N 3.12Å; L112-S115 VanDerWaalsContact O-N 3.1Å; L112-V116 HydrophobicContact CG-CG2 4.24Å; L112-V116 PolarHBondContact O-N 3Å; L112-L147 HydrophobicContact CD2-CD2 4.14Å
113V97.9Very high97.5Very high9 Ų943.9 Ų43.96%0.05522%0.221CC..Hα-helixtrans-55-44.4-167.271.90000113.6G109 A110 S115 V116 L117 L150 L151 K154G109-V113 WeakPolarHBondContact O-CB 3.38Å; G109-V113 PolarHBondContact O-N 3.36Å; A110-V113 WeakPolarHBondContact O-CG1 3.43Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.93Å; V113-V116 WeakPolarHBondContact O-CB 3.36Å; V113-V116 PolarHBondContact O-N 3.45Å; V113-V116 VanDerWaalsContact O-N 3.08Å; V113-L117 HydrophobicContact CG2-CD1 4.13Å; V113-L117 HydrophobicContact CG2-CG 4.33Å; V113-L117 WeakPolarHBondContact O-CG 3.28Å; V113-L117 PolarHBondContact O-N 3.16Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.35Å; V113-L150 HydrophobicContact CG2-CD2 3.98Å; V113-L150 HydrophobicContact CG2-CG 4.05Å; V113-L151 HydrophobicContact CG2-CD2 3.81Å; V113-K154 HydrophobicContact CG2-CG 4.18Å
114D97.9Very high97.5Very high108 Ų10842.2 Ų42.258%0.57822%0.215SC*.Hα-helixtrans-63.3-37.6-177.5-71.6-21.8000111.7L112 V116 L117 D118L112-D114 PolarHBondContact O-N 3.45Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 2.87Å; D114-L117 PolarHBondContact O-N 3.29Å; D114-D118 PolarHBondContact O-N 2.77Å
115S98Very high97.5Very high62 Ų6248.6 Ų48.643%0.43425%0.245SC..Hα-helixtrans-65.3-37.2176.5-62.80000111.6L112 V113 V119L112-S115 WeakPolarHBondContact O-CB 3.44Å; L112-S115 PolarHBondContact O-N 3.12Å; L112-S115 VanDerWaalsContact O-N 3.1Å; V113-S115 VanDerWaalsContact C-N 3.29Å; V113-S115 PolarHBondContact O-N 2.93Å; S115-V119 PolarHBondContact O-N 2.97Å
116V98.4Very high97.3Very high0 Ų051.1 Ų51.10%026%0.259CS..Hα-helixtrans-69.2-44.5176.1-177.70000110.4I64 V66 V91 L112 V113 D114 D118 V119 M120 L151I64-V116 HydrophobicContact CG2-CG1 4.33Å; V66-V116 HydrophobicContact CG1-CG2 3.69Å; V66-V116 HydrophobicContact CG2-CG1 3.68Å; V66-V116 HydrophobicContact CG2-CG2 3.96Å; V91-V116 HydrophobicContact CB-CG2 4.03Å; V91-V116 HydrophobicContact CG1-CG2 3.57Å; L112-V116 HydrophobicContact CG-CG2 4.24Å; L112-V116 PolarHBondContact O-N 3Å; V113-V116 WeakPolarHBondContact O-CB 3.36Å; V113-V116 PolarHBondContact O-N 3.45Å; V113-V116 VanDerWaalsContact O-N 3.08Å; D114-V116 VanDerWaalsContact C-N 3.31Å; D114-V116 PolarHBondContact O-N 2.87Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 2.76Å; V116-V119 PolarHBondContact O-N 3.5Å; V116-M120 WeakPolarHBondContact O-CB 3.37Å; V116-M120 PolarHBondContact O-N 3.07Å; V116-L151 HydrophobicContact CB-CD2 3.79Å; V116-L151 HydrophobicContact CG1-CD1 4.05Å; V116-L151 HydrophobicContact CG1-CD2 3.55Å; V116-L151 HydrophobicContact CG1-CG 4.48Å; V116-L151 HydrophobicContact CG2-CD2 4.44Å
117L98.4Very high97.2Very high5 Ų547.9 Ų47.93%0.02625%0.249CC..Hα-helixtrans-62.1-37.2178.7-68.9173.8000111.7V113 D114 M120 R121 K154 I155V113-L117 HydrophobicContact CG2-CD1 4.13Å; V113-L117 HydrophobicContact CG2-CG 4.33Å; V113-L117 WeakPolarHBondContact O-CG 3.28Å; V113-L117 PolarHBondContact O-N 3.16Å; D114-L117 PolarHBondContact O-N 3.29Å; L117-M120 HydrophobicContact CD2-CE 4Å; L117-M120 HydrophobicContact CD2-SD 4.49Å; L117-M120 PolarHBondContact O-N 2.82Å; L117-R121 WeakPolarHBondContact O-CB 3.15Å; L117-R121 PolarHBondContact O-N 3.35Å; L117-K154 HydrophobicContact CD1-CB 3.89Å; L117-K154 HydrophobicContact CD1-CD 4.47Å; L117-K154 HydrophobicContact CD1-CG 4.27Å; L117-K154 HydrophobicContact CD2-CB 3.97Å; L117-K154 HydrophobicContact CG-CB 4.49Å; L117-I155 HydrophobicContact CD2-CG1 4.11Å
118D98.4Very high97.1Very high81 Ų8152.8 Ų52.843%0.43327%0.274SS..Hα-helixtrans-64.3-42.2175.5-81.8-10.1000113D114 V116 R121 K122D114-D118 PolarHBondContact O-N 2.77Å; V116-D118 VanDerWaalsContact C-N 3.29Å; V116-D118 PolarHBondContact O-N 2.76Å; D118-R121 IonicContact OD1-CZ 3.97Å; D118-R121 IonicContact OD1-NH1 3.03Å; D118-R121 PolarHBondContact OD1-NH1 3.09Å; D118-K122 WeakPolarHBondContact O-CG 3.06Å; D118-K122 PolarHBondContact O-N 3.28Å
119V98.3Very high97Very high14 Ų1453.8 Ų53.89%0.08529%0.285CS..Hα-helixtrans-66.2-42.6174173.60000110.4I64 D88 N89 V91 S115 V116 R121 K122 E123I64-V119 HydrophobicContact CD1-CG1 4.19Å; I64-V119 HydrophobicContact CG1-CG1 4.06Å; I64-V119 HydrophobicContact CG2-CG1 3.99Å; D88-V119 WeakPolarHBondContact O-CG2 3.46Å; N89-V119 HydrophobicContact CB-CG1 4.19Å; V91-V119 HydrophobicContact CG2-CB 4.26Å; V91-V119 HydrophobicContact CG2-CG2 3.67Å; S115-V119 PolarHBondContact O-N 2.97Å; V116-V119 PolarHBondContact O-N 3.5Å; V119-R121 PolarHBondContact O-N 3.13Å; V119-K122 WeakPolarHBondContact O-CB 3.46Å; V119-K122 PolarHBondContact O-N 3.08Å; V119-E123 PolarHBondContact O-N 3.14Å
120M98Very high97Very high1 Ų154.4 Ų54.41%0.00529%0.288CS..Hα-helixtrans-62.9-42.5178.8-176.9-143.35700112.3I64 V116 L117 K122 E123 A124 F133 I155 Y159I64-M120 HydrophobicContact CD1-CB 3.55Å; I64-M120 HydrophobicContact CD1-CG 3.96Å; V116-M120 WeakPolarHBondContact O-CB 3.37Å; V116-M120 PolarHBondContact O-N 3.07Å; L117-M120 HydrophobicContact CD2-CE 4Å; L117-M120 HydrophobicContact CD2-SD 4.49Å; L117-M120 PolarHBondContact O-N 2.82Å; M120-K122 VanDerWaalsContact C-N 3.3Å; M120-K122 PolarHBondContact O-N 3.27Å; M120-E123 PolarHBondContact O-N 3.38Å; M120-E123 VanDerWaalsContact O-N 3.17Å; M120-A124 WeakPolarHBondContact O-CB 3.31Å; M120-A124 PolarHBondContact O-N 3.35Å; M120-F133 HydrophobicContact CG-CD1 4.16Å; M120-F133 HydrophobicContact CG-CE1 3.56Å; M120-F133 HydrophobicContact CG-CZ 4.39Å; M120-F133 HydrophobicContact SD-CD1 4.03Å; M120-F133 HydrophobicContact SD-CE1 3.43Å; M120-F133 WeakPolarHBondContact SD-CE1 3.49Å; M120-F133 HydrophobicContact SD-CZ 3.82Å; M120-I155 HydrophobicContact CE-CG1 4.33Å; M120-I155 HydrophobicContact SD-CB 4.29Å; M120-I155 HydrophobicContact SD-CD1 3.61Å; M120-I155 HydrophobicContact SD-CG1 3.42Å; M120-I155 WeakPolarHBondContact SD-CG1 3.25Å; M120-I155 HydrophobicContact SD-CG2 3.99Å; M120-Y159 HydrophobicContact CE-CD2 4.05Å; M120-Y159 HydrophobicContact CE-CE2 3.37Å; M120-Y159 HydrophobicContact SD-CE2 4.4Å
121R98.1Very high96.9Very high71 Ų7153.1 Ų53.127%0.26828%0.275SS..Hα-helixtrans-59.5-43.3176.1-165.5174.3-54.2108.73.3111.1L117 D118 V119 E123 A124 E125 E158L117-R121 WeakPolarHBondContact O-CB 3.15Å; L117-R121 PolarHBondContact O-N 3.35Å; D118-R121 IonicContact OD1-CZ 3.97Å; D118-R121 IonicContact OD1-NH1 3.03Å; D118-R121 PolarHBondContact OD1-NH1 3.09Å; V119-R121 PolarHBondContact O-N 3.13Å; R121-E123 PolarHBondContact O-N 2.87Å; R121-A124 PolarHBondContact O-N 2.85Å; R121-E125 HydrophobicContact CG-CG 4.48Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.35Å; R121-E125 PolarHBondContact O-N 3.4Å; R121-E158 IonicContact CZ-OE1 2.67Å; R121-E158 IonicContact CZ-OE2 2.79Å; R121-E158 IonicContact NE-OE2 3.3Å; R121-E158 PolarHBondContact NE-OE2 3.37Å; R121-E158 VanDerWaalsContact NH2-CD 3.35Å; R121-E158 IonicContact NH2-OE1 2.94Å; R121-E158 PolarHBondContact NH2-OE1 2.87Å; R121-E158 IonicContact NH2-OE2 3.19Å; R121-E158 PolarHBondContact NH2-OE2 3.03Å
122K97.8Very high97Very high124 Ų12445.7 Ų45.754%0.53924%0.24SC..Hα-helixtrans-61-44.7174-68.6168.2-174169.50112.2D118 V119 M120 N126D118-K122 WeakPolarHBondContact O-CG 3.06Å; D118-K122 PolarHBondContact O-N 3.28Å; V119-K122 WeakPolarHBondContact O-CB 3.46Å; V119-K122 PolarHBondContact O-N 3.08Å; M120-K122 VanDerWaalsContact C-N 3.3Å; M120-K122 PolarHBondContact O-N 3.27Å; K122-N126 WeakPolarHBondContact O-CB 3.49Å; K122-N126 PolarHBondContact O-N 3.25Å; K122-N126 VanDerWaalsContact O-N 3.09Å; K122-N126 PolarHBondContact O-ND2 3.19Å
123E97.5Very high97Very high3 Ų345 Ų451%0.01424%0.236CC..Hα-helixtrans-66.2-39.7178.1-72.8-58.6141.100112.1V5 I64 R86 N89 V119 M120 R121 N126 T127V5-E123 HydrophobicContact CG1-CB 4.08Å; V5-E123 HydrophobicContact CG2-CB 4.03Å; I64-E123 HydrophobicContact CD1-CB 4.49Å; I64-E123 HydrophobicContact CD1-CG 4.35Å; I64-E123 HydrophobicContact CG1-CG 4.26Å; R86-E123 IonicContact CZ-OE1 3.91Å; R86-E123 IonicContact NH1-OE1 3.98Å; R86-E123 PolarHBondContact NH1-OE1 2.88Å; R86-E123 VanDerWaalsContact NH1-OE1 3.13Å; N89-E123 VanDerWaalsContact ND2-CD 3.3Å; N89-E123 PolarHBondContact ND2-OE1 2.89Å; V119-E123 PolarHBondContact O-N 3.14Å; M120-E123 PolarHBondContact O-N 3.38Å; M120-E123 VanDerWaalsContact O-N 3.17Å; R121-E123 PolarHBondContact O-N 2.87Å; E123-N126 PolarHBondContact O-N 3.22Å; E123-T127 WeakPolarHBondContact O-CG2 3.21Å
124A96.9Very high97.1Very high8 Ų844.5 Ų44.57%0.06623%0.234CC..Hα-helixtrans-64.9-45.217600000112.4M120 R121 N126 T127 L130 F133 Y159M120-A124 WeakPolarHBondContact O-CB 3.31Å; M120-A124 PolarHBondContact O-N 3.35Å; R121-A124 PolarHBondContact O-N 2.85Å; A124-N126 PolarHBondContact O-N 3.1Å; A124-T127 WeakPolarHBondContact O-CB 3.23Å; A124-T127 PolarHBondContact O-N 3.15Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.22Å; A124-L130 HydrophobicContact CB-CD2 3.94Å; A124-F133 HydrophobicContact CB-CZ 4.49Å; A124-Y159 HydrophobicContact CB-CE1 4.12Å
125E96.3Very high97.1Very high134 Ų13439.4 Ų39.463%0.62621%0.206SC*.Hα-helixtrans-65.5-27.5176.4-73.7172.4176.800112.6R121 T127R121-E125 HydrophobicContact CG-CG 4.48Å; R121-E125 WeakPolarHBondContact O-CB 3.43Å; R121-E125 VanDerWaalsContact O-CG 3.25Å; R121-E125 WeakPolarHBondContact O-CG 3.35Å; R121-E125 PolarHBondContact O-N 3.4Å; E125-T127 PolarHBondContact O-N 2.74Å
126N95.2Very high97.1Very high76 Ų7636.5 Ų36.541%0.40619%0.186SC..THydrogen-bonded Turntrans-80.59.3174.8-73.6-41.6000113.6R62 K122 E123 A124R62-N126 PolarHBondContact NH1-O 2.97Å; K122-N126 WeakPolarHBondContact O-CB 3.49Å; K122-N126 PolarHBondContact O-N 3.25Å; K122-N126 VanDerWaalsContact O-N 3.09Å; K122-N126 PolarHBondContact O-ND2 3.19Å; E123-N126 PolarHBondContact O-N 3.22Å; A124-N126 PolarHBondContact O-N 3.1Å
127T95.7Very high97.1Very high19 Ų1936.5 Ų36.512%0.11719%0.186CC..  trans-98.3147.6172.4680000111.1E3 E123 A124 E125 L130E3-T127 HydrophobicContact CB-CG2 3.75Å; E3-T127 HydrophobicContact CG-CG2 4.49Å; E123-T127 WeakPolarHBondContact O-CG2 3.21Å; A124-T127 WeakPolarHBondContact O-CB 3.23Å; A124-T127 PolarHBondContact O-N 3.15Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.22Å; E125-T127 PolarHBondContact O-N 2.74Å; T127-L130 HydrophobicContact CG2-CD1 4.27Å; T127-L130 WeakPolarHBondContact OG1-CB 3.34Å; T127-L130 PolarHBondContact OG1-N 3.31Å; T127-L130 VanDerWaalsContact OG1-N 3.15Å
128D94.3Very high97Very high141 Ų14136.9 Ų36.975%0.75419%0.189SC*.SBendtrans-76.8-37172.7-63.8-34000111.2E3E3-D128 PolarHBondContact OE2-N 3.43Å
129S93.8Very high97Very high60 Ų6033.2 Ų33.242%0.4217%0.169SC..SBendtrans-152.583.2175.3-155.40000111.4M1 R2 E3 Q131M1-S129 WeakPolarHBondContact O-CB 3.49Å; R2-S129 VanDerWaalsContact CA-O 3.31Å; R2-S129 WeakPolarHBondContact CA-O 3.36Å; E3-S129 PolarHBondContact N-O 3.28Å; E3-S129 WeakPolarHBondContact OE2-CA 3.46Å; E3-S129 PolarHBondContact OE2-N 3Å; S129-Q131 PolarHBondContact O-N 2.81Å; S129-Q131 VanDerWaalsContact O-N 3.13Å
130L96.5Very high96.7Very high13 Ų1332.6 Ų32.67%0.06817%0.166CC..EExtended strand (participates in β ladder)trans-50.7120.5171.5-176.966.8000111.2E3 V5 A124 T127 G132 F133 Y159 R162E3-L130 WeakPolarHBondContact O-CA 3.26Å; V5-L130 HydrophobicContact CG2-CD1 3.91Å; A124-L130 HydrophobicContact CB-CD2 3.94Å; T127-L130 HydrophobicContact CG2-CD1 4.27Å; T127-L130 WeakPolarHBondContact OG1-CB 3.34Å; T127-L130 PolarHBondContact OG1-N 3.31Å; T127-L130 VanDerWaalsContact OG1-N 3.15Å; L130-G132 WeakPolarHBondContact CD1-O 3.42Å; L130-F133 HydrophobicContact CD2-CE1 4.36Å; L130-F133 HydrophobicContact CD2-CE2 3.92Å; L130-F133 HydrophobicContact CD2-CZ 3.64Å; L130-Y159 HydrophobicContact CD2-CD1 4Å; L130-Y159 HydrophobicContact CD2-CE1 4.11Å; L130-R162 HydrophobicContact CD2-CG 4.04Å; L130-R162 HydrophobicContact CG-CG 4.39Å; L130-R162 WeakPolarHBondContact O-CD 3.47Å; L130-R162 PolarHBondContact O-NE 3.44Å
131Q95.1Very high96.3Very high13 Ų1333.4 Ų33.46%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-89.5-29.6171.365.3178107.500112.8R2 E3 I4 S129 I163 L250R2-Q131 HydrophobicContact CB-CB 4.04Å; R2-Q131 HydrophobicContact CB-CG 4.42Å; R2-Q131 HydrophobicContact CG-CB 4.49Å; R2-Q131 PolarHBondContact O-OE1 3.17Å; E3-Q131 WeakPolarHBondContact O-CG 3.27Å; E3-Q131 PolarHBondContact O-N 3.28Å; I4-Q131 HydrophobicContact CD1-CG 4.41Å; I4-Q131 VanDerWaalsContact CG1-CD 3.45Å; I4-Q131 HydrophobicContact CG1-CG 3.56Å; S129-Q131 PolarHBondContact O-N 2.81Å; S129-Q131 VanDerWaalsContact O-N 3.13Å; Q131-I163 PolarHBondContact O-N 3.35Å; Q131-I163 VanDerWaalsContact O-N 3.12Å; Q131-L250 HydrophobicContact CG-CD1 4.24Å; Q131-L250 VanDerWaalsContact NE2-CB 3.35Å
132G97.2Very high96.1Very high0 Ų030.1 Ų30.10%016%0.163CC..EExtended strand (participates in β ladder)trans167.8179.3-170.100000114.5V5 L130 I163V5-G132 PolarHBondContact N-O 3.3Å; L130-G132 WeakPolarHBondContact CD1-O 3.42Å; G132-I163 CarbonylContact C-O 3.6Å; G132-I163 WeakPolarHBondContact CA-O 3.19Å
133F98.4Very high96Very high2 Ų224.9 Ų24.91%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-112.1142.2177.3-58.1-86.4000108.7V5 L7 M120 A124 L130 I155 Y159 R162 I163 M164 N165V5-F133 HydrophobicContact CB-CD1 3.82Å; V5-F133 HydrophobicContact CB-CE1 4.05Å; V5-F133 HydrophobicContact CG1-CD1 4.2Å; V5-F133 HydrophobicContact CG1-CE1 4.39Å; V5-F133 HydrophobicContact CG2-CE1 4.4Å; V5-F133 WeakPolarHBondContact O-CA 3.47Å; L7-F133 HydrophobicContact CD1-CB 4.21Å; L7-F133 HydrophobicContact CD1-CD1 3.93Å; M120-F133 HydrophobicContact CG-CD1 4.16Å; M120-F133 HydrophobicContact CG-CE1 3.56Å; M120-F133 HydrophobicContact CG-CZ 4.39Å; M120-F133 HydrophobicContact SD-CD1 4.03Å; M120-F133 HydrophobicContact SD-CE1 3.43Å; M120-F133 WeakPolarHBondContact SD-CE1 3.49Å; M120-F133 HydrophobicContact SD-CZ 3.82Å; A124-F133 HydrophobicContact CB-CZ 4.49Å; L130-F133 HydrophobicContact CD2-CE1 4.36Å; L130-F133 HydrophobicContact CD2-CE2 3.92Å; L130-F133 HydrophobicContact CD2-CZ 3.64Å; F133-I155 HydrophobicContact CD1-CG2 4.23Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.3Å; F133-I155 HydrophobicContact CE2-CG2 3.42Å; F133-I155 VanDerWaalsContact CE2-CG2 3.42Å; F133-I155 HydrophobicContact CG-CG2 3.77Å; F133-I155 HydrophobicContact CZ-CG2 3.9Å; F133-Y159 HydrophobicContact CE2-CD1 4.25Å; F133-Y159 AromaticContact CE2-CD2 3.86Å; F133-Y159 HydrophobicContact CE2-CD2 3.86Å; F133-Y159 AromaticContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CZ-CD1 4.18Å; F133-Y159 AromaticContact CZ-CD2 3.69Å; F133-Y159 HydrophobicContact CZ-CD2 3.69Å; F133-Y159 HydrophobicContact CZ-CE1 4.4Å; F133-Y159 AromaticContact CZ-CE2 4Å; F133-Y159 HydrophobicContact CZ-CE2 4Å; F133-Y159 AromaticContact CZ-CG 3.81Å; F133-Y159 HydrophobicContact CZ-CG 3.81Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.24Å; F133-I163 PolarHBondContact N-O 3.22Å; F133-M164 HydrophobicContact CB-CE 4.03Å; F133-M164 HydrophobicContact CB-SD 3.98Å; F133-M164 HydrophobicContact CD2-CE 4.34Å; F133-M164 HydrophobicContact CG-CE 4.42Å; F133-N165 PolarHBondContact O-N 2.99Å
134Q98.1Very high96Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-118120.4172-179.5175.476.800107.6I4 V5 H6 L7 Y50 N165 F167I4-Q134 HydrophobicContact CG2-CB 3.74Å; V5-Q134 PolarHBondContact O-N 3.08Å; H6-Q134 CarbonylContact C-O 3.54Å; H6-Q134 VanDerWaalsContact CA-O 3.32Å; H6-Q134 WeakPolarHBondContact CA-O 3.19Å; H6-Q134 PolarHBondContact CD2-O 2.88Å; H6-Q134 VanDerWaalsContact CD2-O 3.27Å; L7-Q134 PolarHBondContact N-O 3.29Å; Y50-Q134 PolarHBondContact OH-NE2 2.63Å; Y50-Q134 PolarHBondContact OH-OE1 3.11Å; Q134-N165 CarbonylContact C-O 3.57Å; Q134-N165 VanDerWaalsContact CA-O 3.26Å; Q134-N165 WeakPolarHBondContact CA-O 3.37Å; Q134-N165 PolarHBondContact NE2-ND2 3.24Å; Q134-F167 HydrophobicContact CG-CD2 3.98Å; Q134-F167 HydrophobicContact CG-CE2 3.88Å
135L98.6Very high96Very high1 Ų124.6 Ų24.61%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-116.1129-179.1-176.7148.1000110.8L7 V9 H137 I152 N165 T166 F167L7-L135 HydrophobicContact CB-CB 4.35Å; L7-L135 HydrophobicContact CB-CD1 4.23Å; L7-L135 HydrophobicContact CB-CG 4.24Å; L7-L135 WeakPolarHBondContact O-CA 3.28Å; V9-L135 HydrophobicContact CG2-CD1 3.96Å; V9-L135 HydrophobicContact CG2-CG 4.18Å; L135-H137 HydrophobicContact CD2-CB 3.54Å; L135-I152 HydrophobicContact CD1-CD1 4.31Å; L135-I152 HydrophobicContact CD1-CG1 3.87Å; L135-I152 HydrophobicContact CD2-CD1 4.12Å; L135-N165 PolarHBondContact N-O 2.94Å; L135-T166 HydrophobicContact CB-CG2 4.39Å; L135-T166 CarbonylContact O-C 3.09Å; L135-T166 VanDerWaalsContact O-CA 3.23Å; L135-T166 WeakPolarHBondContact O-CA 3.45Å; L135-F167 PolarHBondContact O-N 3.14Å
136T98.6Very high96.1Very high0 Ų018.2 Ų18.20%011%0.11CC..EExtended strand (participates in β ladder)trans-110.7120.1174.9-54.10000109.3H6 L7 V9 G13 I16 F167 M233H6-T136 PolarHBondContact NE2-OG1 3.18Å; L7-T136 PolarHBondContact O-N 2.94Å; V9-T136 PolarHBondContact N-O 2.77Å; G13-T136 VanDerWaalsContact CA-O 3.27Å; G13-T136 WeakPolarHBondContact CA-O 3.47Å; I16-T136 HydrophobicContact CB-CG2 3.9Å; I16-T136 HydrophobicContact CD1-CG2 4.33Å; I16-T136 HydrophobicContact CG2-CG2 3.65Å; T136-F167 HydrophobicContact CG2-CB 4.27Å; T136-M233 HydrophobicContact CG2-CE 4.43Å; T136-M233 VanDerWaalsContact OG1-CE 3.24Å; T136-M233 WeakPolarHBondContact OG1-CE 3.5Å
137H98.3Very high96.2Very high0 Ų014.6 Ų14.60%09%0.09CC..EExtended strand (participates in β ladder)trans-153172.1-175.772.1162.1000112.8V9 L135 L139 G144 F167 S168 V169V9-H137 HydrophobicContact CB-CB 4.39Å; L135-H137 HydrophobicContact CD2-CB 3.54Å; H137-L139 VanDerWaalsContact CE1-CD2 3.48Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.27Å; H137-L139 VanDerWaalsContact NE2-CD2 3.35Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.22Å; H137-G144 PolarHBondContact ND1-O 3Å; H137-F167 PolarHBondContact N-O 3.06Å; H137-F167 VanDerWaalsContact N-O 3.17Å; H137-S168 PolarHBondContact CD2-OG 3.36Å; H137-S168 PolarHBondContact NE2-OG 3.44Å; H137-V169 PolarHBondContact O-N 3.33Å
138S96.7Very high96.3Very high13 Ų1313.7 Ų13.79%0.0919%0.085CC..EExtended strand (participates in β ladder)trans-112.9133.4172.2168.10000110.4G140 G141 G144 S145S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 3.36Å; S138-G140 PolarHBondContact OG-N 3.45Å; S138-G141 PolarHBondContact OG-N 3.11Å; S138-G144 CarbonylContact O-C 3.54Å; S138-S145 WeakPolarHBondContact O-CA 3.41Å; S138-S145 PolarHBondContact O-N 3.39Å
139L96.7Very high96.5Very high4 Ų47 Ų72%0.0215%0.049CC..SBendtrans-78-12.3176.3-47.7-170.5000112.3H137 S145 V169 V170 N184 A185 V189 L192H137-L139 VanDerWaalsContact CE1-CD2 3.48Å; H137-L139 WeakPolarHBondContact CE1-CD2 3.27Å; H137-L139 VanDerWaalsContact NE2-CD2 3.35Å; H137-L139 WeakPolarHBondContact NE2-CD2 3.22Å; L139-S145 WeakPolarHBondContact O-CB 3.31Å; L139-V169 PolarHBondContact N-O 2.81Å; L139-V170 HydrophobicContact CD1-CG2 4.04Å; L139-N184 CarbonylContact O-C 3.3Å; L139-N184 VanDerWaalsContact O-CB 3.26Å; L139-N184 WeakPolarHBondContact O-CB 3.32Å; L139-A185 HydrophobicContact CB-CB 4.32Å; L139-A185 WeakPolarHBondContact O-CA 3.31Å; L139-A185 PolarHBondContact O-N 2.74Å; L139-A185 VanDerWaalsContact O-N 3.09Å; L139-V189 HydrophobicContact CD1-CG2 4.25Å; L139-L192 HydrophobicContact CD1-CD1 4.03Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å
140G92.5Very high96.8Very high1 Ų14.9 Ų4.91%0.013%0.033CC..SBendtrans-93.2-27.7-179.300000114.6S138 N184S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 3.36Å; S138-G140 PolarHBondContact OG-N 3.45Å; G140-N184 PolarHBondContact O-ND2 3.02Å
141G91.1Very high96.9Very high18 Ų184.2 Ų4.219%0.1863%0.03CC..SBendtrans-91.6155-175.900000113.1S138 S145S138-G141 PolarHBondContact OG-N 3.11Å; G141-S145 WeakPolarHBondContact O-CB 3.2Å; G141-S145 PolarHBondContact O-N 3.27Å; G141-S145 PolarHBondContact O-OG 3.41Å
142G92.8Very high97Very high3 Ų33.6 Ų3.63%0.0313%0.027CC..Hα-helixtrans-64.8-47.9-174.500000114G146G142-G146 WeakPolarHBondContact O-CA 3.44Å; G142-G146 PolarHBondContact O-N 3.43Å
143T96.8Very high97.1Very high14 Ų144.7 Ų4.79%0.0863%0.034CC..Iπ-helixtrans-68.9-50.5178.6-49.20000111.8V9 D67 L68 S145 L147 G148V9-T143 HydrophobicContact CG1-CG2 4.2Å; D67-T143 PolarHBondContact OD1-OG1 3.37Å; L68-T143 HydrophobicContact CB-CG2 4.28Å; L68-T143 HydrophobicContact CD1-CG2 4.06Å; L68-T143 HydrophobicContact CG-CG2 3.82Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 3.19Å; T143-L147 HydrophobicContact CG2-CB 4.35Å; T143-L147 HydrophobicContact CG2-CD2 4.07Å; T143-L147 VanDerWaalsContact O-CB 3.32Å; T143-L147 WeakPolarHBondContact O-CB 3.42Å; T143-L147 PolarHBondContact O-N 2.92Å; T143-L147 VanDerWaalsContact O-N 3.14Å; T143-G148 PolarHBondContact O-N 2.61Å; T143-G148 VanDerWaalsContact O-N 3.11Å
144G96.2Very high97.1Very high4 Ų47.8 Ų7.84%0.0415%0.048CC..Iπ-helixtrans-60.1-43.6-178.700000112H137 S138 G148H137-G144 PolarHBondContact ND1-O 3Å; S138-G144 CarbonylContact O-C 3.54Å; G144-G148 VanDerWaalsContact O-CA 3.22Å; G144-G148 WeakPolarHBondContact O-CA 2.95Å; G144-G148 PolarHBondContact O-N 3.47Å
145S97.3Very high97.1Very high0 Ų07.9 Ų7.90%05%0.048CC..Iπ-helixtrans-80.2-56.9-17671.30000111.5W101 S138 L139 G141 T143 T149 S188W101-S145 PolarHBondContact NE1-O 3.06Å; S138-S145 WeakPolarHBondContact O-CA 3.41Å; S138-S145 PolarHBondContact O-N 3.39Å; L139-S145 WeakPolarHBondContact O-CB 3.31Å; G141-S145 WeakPolarHBondContact O-CB 3.2Å; G141-S145 PolarHBondContact O-N 3.27Å; G141-S145 PolarHBondContact O-OG 3.41Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S145 PolarHBondContact O-N 3.19Å; S145-T149 WeakPolarHBondContact O-CB 3.46Å; S145-T149 VanDerWaalsContact O-CG2 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.39Å; S145-T149 PolarHBondContact O-N 3.03Å; S145-T149 VanDerWaalsContact O-N 3.08Å; S145-T149 PolarHBondContact O-OG1 3.24Å; S145-S188 VanDerWaalsContact CA-OG 3.32Å; S145-S188 WeakPolarHBondContact CA-OG 3.5Å; S145-S188 WeakPolarHBondContact CB-OG 3.36Å; S145-S188 PolarHBondContact O-OG 3.09Å
146G97.8Very high97Very high0 Ų09.8 Ų9.80%06%0.056CC..Iπ-helixtrans-67.5-63.6-17600000112.6W101 G104 H105 G142 T149 L150W101-G146 VanDerWaalsContact CD1-CA 3.5Å; W101-G146 VanDerWaalsContact CD1-N 3.34Å; W101-G146 WeakPolarHBondContact O-CA 3.48Å; G104-G146 CarbonylContact O-C 3.58Å; H105-G146 PolarHBondContact ND1-O 2.9Å; G142-G146 WeakPolarHBondContact O-CA 3.44Å; G142-G146 PolarHBondContact O-N 3.43Å; G146-T149 PolarHBondContact O-N 2.84Å; G146-T149 PolarHBondContact O-OG1 3.34Å; G146-L150 WeakPolarHBondContact O-CB 3.3Å; G146-L150 PolarHBondContact O-N 2.88Å
147L98.3Very high97Very high0 Ų015.1 Ų15.10%08%0.08CC..Iπ-helixtrans-67.8-38.7-179.3173.460.9000111V9 V66 L68 G104 L112 T143 T149 L150 L151V9-L147 HydrophobicContact CG1-CB 4.5Å; V9-L147 HydrophobicContact CG1-CD2 4.41Å; V9-L147 HydrophobicContact CG1-CG 4.25Å; V66-L147 HydrophobicContact CG1-CD2 3.66Å; L68-L147 HydrophobicContact CD2-CD2 4.05Å; L68-L147 HydrophobicContact CG-CD2 4.11Å; G104-L147 WeakPolarHBondContact O-CA 3.38Å; G104-L147 WeakPolarHBondContact O-CB 3.38Å; G104-L147 PolarHBondContact O-N 3.02Å; L112-L147 HydrophobicContact CD2-CD2 4.14Å; T143-L147 HydrophobicContact CG2-CB 4.35Å; T143-L147 HydrophobicContact CG2-CD2 4.07Å; T143-L147 VanDerWaalsContact O-CB 3.32Å; T143-L147 WeakPolarHBondContact O-CB 3.42Å; T143-L147 PolarHBondContact O-N 2.92Å; T143-L147 VanDerWaalsContact O-N 3.14Å; L147-T149 PolarHBondContact O-N 2.86Å; L147-L150 HydrophobicContact CD1-CD2 4.35Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-L151 HydrophobicContact CD1-CD1 4.08Å; L147-L151 HydrophobicContact CD1-CG 3.95Å; L147-L151 HydrophobicContact CG-CD1 4Å; L147-L151 HydrophobicContact CG-CG 4.35Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 2.85Å
148G98.3Very high96.9Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-59.5-44.6177.700000112.6T143 G144 L151 I152T143-G148 PolarHBondContact O-N 2.61Å; T143-G148 VanDerWaalsContact O-N 3.11Å; G144-G148 VanDerWaalsContact O-CA 3.22Å; G144-G148 WeakPolarHBondContact O-CA 2.95Å; G144-G148 PolarHBondContact O-N 3.47Å; G148-L151 PolarHBondContact O-N 2.93Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 2.83Å
149T98.4Very high97Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-75.7-30.8177.258.50000114.3W101 S145 G146 L147 L151 I152 S153 Q191W101-T149 PolarHBondContact NE1-OG1 2.88Å; S145-T149 WeakPolarHBondContact O-CB 3.46Å; S145-T149 VanDerWaalsContact O-CG2 3.28Å; S145-T149 WeakPolarHBondContact O-CG2 3.39Å; S145-T149 PolarHBondContact O-N 3.03Å; S145-T149 VanDerWaalsContact O-N 3.08Å; S145-T149 PolarHBondContact O-OG1 3.24Å; G146-T149 PolarHBondContact O-N 2.84Å; G146-T149 PolarHBondContact O-OG1 3.34Å; L147-T149 PolarHBondContact O-N 2.86Å; T149-L151 VanDerWaalsContact C-N 3.34Å; T149-I152 HydrophobicContact CG2-CD1 4.4Å; T149-I152 PolarHBondContact O-N 2.73Å; T149-S153 PolarHBondContact O-N 2.71Å; T149-Q191 HydrophobicContact CG2-CB 3.93Å
150L98.4Very high97Very high16 Ų1623.6 Ų23.68%0.08412%0.123CC..Hα-helixtrans-58.6-47.6168.2178.162.8000111H105 V113 G146 L147 I152 S153 K154H105-L150 WeakPolarHBondContact O-CD2 3.31Å; V113-L150 HydrophobicContact CB-CD2 3.95Å; V113-L150 HydrophobicContact CG1-CD2 4.35Å; V113-L150 HydrophobicContact CG2-CD2 3.98Å; V113-L150 HydrophobicContact CG2-CG 4.05Å; G146-L150 WeakPolarHBondContact O-CB 3.3Å; G146-L150 PolarHBondContact O-N 2.88Å; L147-L150 HydrophobicContact CD1-CD2 4.35Å; L147-L150 PolarHBondContact O-N 3.37Å; L150-I152 PolarHBondContact O-N 3.28Å; L150-S153 PolarHBondContact O-N 2.84Å; L150-K154 HydrophobicContact CD1-CG 4.38Å; L150-K154 WeakPolarHBondContact O-CG 3.14Å; L150-K154 PolarHBondContact O-N 3.25Å
151L98.6Very high97.1Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-60-46.3176.2-73.6168.5000110.8V9 V113 V116 L147 G148 T149 S153 K154 I155V9-L151 HydrophobicContact CG1-CD1 4.37Å; V9-L151 HydrophobicContact CG2-CD1 3.88Å; V113-L151 HydrophobicContact CG2-CD2 3.81Å; V116-L151 HydrophobicContact CB-CD2 3.79Å; V116-L151 HydrophobicContact CG1-CD1 4.05Å; V116-L151 HydrophobicContact CG1-CD2 3.55Å; V116-L151 HydrophobicContact CG1-CG 4.48Å; V116-L151 HydrophobicContact CG2-CD2 4.44Å; L147-L151 HydrophobicContact CD1-CD1 4.08Å; L147-L151 HydrophobicContact CD1-CG 3.95Å; L147-L151 HydrophobicContact CG-CD1 4Å; L147-L151 HydrophobicContact CG-CG 4.35Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.29Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 2.85Å; G148-L151 PolarHBondContact O-N 2.93Å; T149-L151 VanDerWaalsContact C-N 3.34Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 3.5Å; L151-K154 PolarHBondContact O-N 2.89Å; L151-I155 HydrophobicContact CB-CD1 4.45Å; L151-I155 WeakPolarHBondContact O-CB 3.11Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 2.86Å
152I98.6Very high97.4Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-54.2-47.9177.1-73163.6000111.5L135 G148 T149 L150 I155 R156 M164 T166 L192 N195 T196L135-I152 HydrophobicContact CD1-CD1 4.31Å; L135-I152 HydrophobicContact CD1-CG1 3.87Å; L135-I152 HydrophobicContact CD2-CD1 4.12Å; G148-I152 VanDerWaalsContact O-CG1 3.28Å; G148-I152 WeakPolarHBondContact O-CG1 3.44Å; G148-I152 PolarHBondContact O-N 2.83Å; T149-I152 HydrophobicContact CG2-CD1 4.4Å; T149-I152 PolarHBondContact O-N 2.73Å; L150-I152 PolarHBondContact O-N 3.28Å; I152-I155 PolarHBondContact O-N 3.29Å; I152-R156 WeakPolarHBondContact O-CB 3.2Å; I152-R156 PolarHBondContact O-N 3.46Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.16Å; I152-T166 HydrophobicContact CD1-CG2 3.87Å; I152-T166 HydrophobicContact CG1-CG2 4.5Å; I152-L192 HydrophobicContact CD1-CD2 3.73Å; I152-N195 HydrophobicContact CG2-CB 3.44Å; I152-N195 VanDerWaalsContact CG2-CB 3.44Å; I152-T196 HydrophobicContact CD1-CG2 4.34Å; I152-T196 HydrophobicContact CG2-CG2 3.81Å
153S98.1Very high97.6Very high23 Ų2332.6 Ų32.616%0.16116%0.159CC..Hα-helixtrans-60.7-48.3177.7-172.80000111.5T149 L150 L151 I155 R156 E157T149-S153 PolarHBondContact O-N 2.71Å; L150-S153 PolarHBondContact O-N 2.84Å; L151-S153 VanDerWaalsContact C-N 3.32Å; L151-S153 PolarHBondContact O-N 3.5Å; S153-I155 PolarHBondContact O-N 3.19Å; S153-R156 WeakPolarHBondContact O-CB 3.46Å; S153-R156 PolarHBondContact O-N 2.88Å; S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.37Å; S153-E157 PolarHBondContact OG-OE1 3.04Å
154K98.3Very high97.7Very high66 Ų6632 Ų3229%0.28716%0.156SC..Hα-helixtrans-65.2-38.1-179-68.9-72.4158.5-144.10113V113 L117 L150 L151 R156 E157 E158V113-K154 HydrophobicContact CG2-CG 4.18Å; L117-K154 HydrophobicContact CD1-CB 3.89Å; L117-K154 HydrophobicContact CD1-CD 4.47Å; L117-K154 HydrophobicContact CD1-CG 4.27Å; L117-K154 HydrophobicContact CD2-CB 3.97Å; L117-K154 HydrophobicContact CG-CB 4.49Å; L150-K154 HydrophobicContact CD1-CG 4.38Å; L150-K154 WeakPolarHBondContact O-CG 3.14Å; L150-K154 PolarHBondContact O-N 3.25Å; L151-K154 PolarHBondContact O-N 2.89Å; K154-R156 VanDerWaalsContact C-N 3.35Å; K154-E157 IonicContact NZ-OE1 2.72Å; K154-E157 PolarHBondContact NZ-OE1 3.21Å; K154-E157 VanDerWaalsContact NZ-OE1 3.17Å; K154-E157 IonicContact NZ-OE2 3.33Å; K154-E157 PolarHBondContact NZ-OE2 3.27Å; K154-E157 WeakPolarHBondContact O-CB 3.35Å; K154-E157 PolarHBondContact O-N 2.96Å; K154-E158 PolarHBondContact O-N 2.82Å
155I98.2Very high97.8Very high2 Ų231.9 Ų31.91%0.0115%0.154CC..Hα-helixtrans-68.7-38.5176.3-61.9172.6000110.5L7 L117 M120 F133 L151 I152 S153 E157 E158 Y159 M164L7-I155 HydrophobicContact CD1-CD1 4.47Å; L7-I155 HydrophobicContact CD2-CD1 3.69Å; L117-I155 HydrophobicContact CD2-CG1 4.11Å; M120-I155 HydrophobicContact CE-CG1 4.33Å; M120-I155 HydrophobicContact SD-CB 4.29Å; M120-I155 HydrophobicContact SD-CD1 3.61Å; M120-I155 HydrophobicContact SD-CG1 3.42Å; M120-I155 WeakPolarHBondContact SD-CG1 3.25Å; M120-I155 HydrophobicContact SD-CG2 3.99Å; F133-I155 HydrophobicContact CD1-CG2 4.23Å; F133-I155 HydrophobicContact CD2-CG2 3.35Å; F133-I155 HydrophobicContact CE1-CG2 4.3Å; F133-I155 HydrophobicContact CE2-CG2 3.42Å; F133-I155 VanDerWaalsContact CE2-CG2 3.42Å; F133-I155 HydrophobicContact CG-CG2 3.77Å; F133-I155 HydrophobicContact CZ-CG2 3.9Å; L151-I155 HydrophobicContact CB-CD1 4.45Å; L151-I155 WeakPolarHBondContact O-CB 3.11Å; L151-I155 WeakPolarHBondContact O-CG1 3.5Å; L151-I155 PolarHBondContact O-N 2.86Å; I152-I155 PolarHBondContact O-N 3.29Å; S153-I155 PolarHBondContact O-N 3.19Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.09Å; I155-E158 PolarHBondContact O-N 3.33Å; I155-Y159 HydrophobicContact CG2-CD2 4.3Å; I155-Y159 WeakPolarHBondContact O-CA 3.29Å; I155-Y159 WeakPolarHBondContact O-CB 3.42Å; I155-Y159 PolarHBondContact O-N 3.49Å; I155-M164 HydrophobicContact CB-CE 3.46Å; I155-M164 VanDerWaalsContact CB-CE 3.46Å; I155-M164 HydrophobicContact CD1-CE 4.07Å; I155-M164 HydrophobicContact CG1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.27Å
156R97.5Very high97.8Very high42 Ų4231.9 Ų31.916%0.15815%0.154CC..Hα-helixtrans-62.1-38.7174179.959.765.5178.59.6111.8I152 S153 K154 P160 R162 M164 N195 D197I152-R156 WeakPolarHBondContact O-CB 3.2Å; I152-R156 PolarHBondContact O-N 3.46Å; S153-R156 WeakPolarHBondContact O-CB 3.46Å; S153-R156 PolarHBondContact O-N 2.88Å; K154-R156 VanDerWaalsContact C-N 3.35Å; R156-P160 PolarHBondContact NH1-O 3.05Å; R156-P160 VanDerWaalsContact O-CA 3.25Å; R156-P160 WeakPolarHBondContact O-CA 3.49Å; R156-R162 PolarHBondContact NH1-O 3.24Å; R156-R162 VanDerWaalsContact NH1-O 3.13Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; R156-N195 HydrophobicContact CB-CB 4.38Å; R156-N195 PolarHBondContact NE-O 2.83Å; R156-N195 PolarHBondContact NH2-O 3Å; R156-D197 IonicContact CZ-OD1 2.79Å; R156-D197 IonicContact CZ-OD2 3.27Å; R156-D197 IonicContact NH1-OD1 3.42Å; R156-D197 IonicContact NH1-OD2 3.98Å; R156-D197 PolarHBondContact NH1-OD2 2.97Å; R156-D197 IonicContact NH2-OD1 3.59Å; R156-D197 PolarHBondContact NH2-OD1 2.97Å; R156-D197 IonicContact NH2-OD2 3.06Å; R156-D197 PolarHBondContact NH2-OD2 2.67Å
157E97.5Very high97.8Very high112 Ų11231.9 Ų31.952%0.52315%0.154SC..Hα-helixtrans-63.3-45.6174.3-71.2167.2-148.200112.2S153 K154 I155S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.37Å; S153-E157 PolarHBondContact OG-OE1 3.04Å; K154-E157 IonicContact NZ-OE1 2.72Å; K154-E157 PolarHBondContact NZ-OE1 3.21Å; K154-E157 VanDerWaalsContact NZ-OE1 3.17Å; K154-E157 IonicContact NZ-OE2 3.33Å; K154-E157 PolarHBondContact NZ-OE2 3.27Å; K154-E157 WeakPolarHBondContact O-CB 3.35Å; K154-E157 PolarHBondContact O-N 2.96Å; I155-E157 VanDerWaalsContact C-N 3.3Å; I155-E157 PolarHBondContact O-N 3.09Å
158E97.6Very high97.9Very high75 Ų7531.9 Ų31.935%0.3515%0.154SC..Hα-helixtrans-77.9-32.4-178.7-72.2-165.7-155.400113.7R121 K154 I155 P160R121-E158 IonicContact CZ-OE1 2.67Å; R121-E158 IonicContact CZ-OE2 2.79Å; R121-E158 IonicContact NE-OE2 3.3Å; R121-E158 PolarHBondContact NE-OE2 3.37Å; R121-E158 VanDerWaalsContact NH2-CD 3.35Å; R121-E158 IonicContact NH2-OE1 2.94Å; R121-E158 PolarHBondContact NH2-OE1 2.87Å; R121-E158 IonicContact NH2-OE2 3.19Å; R121-E158 PolarHBondContact NH2-OE2 3.03Å; K154-E158 PolarHBondContact O-N 2.82Å; I155-E158 PolarHBondContact O-N 3.33Å; E158-P160 VanDerWaalsContact C-CD 3.45Å
159Y97.7Very high97.8Very high45 Ų4532 Ų3218%0.17616%0.155CC..  trans-129.958.5-174.5-60.4-91.4000112.4M120 A124 L130 F133 I155 D161 R162M120-Y159 HydrophobicContact CE-CD2 4.05Å; M120-Y159 HydrophobicContact CE-CE2 3.37Å; M120-Y159 HydrophobicContact SD-CE2 4.4Å; A124-Y159 HydrophobicContact CB-CE1 4.12Å; L130-Y159 HydrophobicContact CD2-CD1 4Å; L130-Y159 HydrophobicContact CD2-CE1 4.11Å; F133-Y159 HydrophobicContact CE2-CD1 4.25Å; F133-Y159 AromaticContact CE2-CD2 3.86Å; F133-Y159 HydrophobicContact CE2-CD2 3.86Å; F133-Y159 AromaticContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CE2-CG 3.67Å; F133-Y159 HydrophobicContact CZ-CD1 4.18Å; F133-Y159 AromaticContact CZ-CD2 3.69Å; F133-Y159 HydrophobicContact CZ-CD2 3.69Å; F133-Y159 HydrophobicContact CZ-CE1 4.4Å; F133-Y159 AromaticContact CZ-CE2 4Å; F133-Y159 HydrophobicContact CZ-CE2 4Å; F133-Y159 AromaticContact CZ-CG 3.81Å; F133-Y159 HydrophobicContact CZ-CG 3.81Å; I155-Y159 HydrophobicContact CG2-CD2 4.3Å; I155-Y159 WeakPolarHBondContact O-CA 3.29Å; I155-Y159 WeakPolarHBondContact O-CB 3.42Å; I155-Y159 PolarHBondContact O-N 3.49Å; Y159-D161 PolarHBondContact O-N 3.25Å; Y159-D161 VanDerWaalsContact O-N 3.15Å; Y159-R162 HydrophobicContact CD1-CG 4.29Å; Y159-R162 PolarHBondContact O-N 3.47Å
160P96.8Very high97.6Very high75 Ų7532 Ų3249%0.48716%0.155SC..THydrogen-bonded Turntrans-60.3-32.5-17424-34.8000113R156 E158 R162R156-P160 PolarHBondContact NH1-O 3.05Å; R156-P160 VanDerWaalsContact O-CA 3.25Å; R156-P160 WeakPolarHBondContact O-CA 3.49Å; E158-P160 VanDerWaalsContact C-CD 3.45Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.21Å
161D95.7Very high97.3Very high117 Ų11731.8 Ų31.863%0.62616%0.155SC*.THydrogen-bonded Turntrans-83.88.1179.9-63.3-40000113.8Y159 R251Y159-D161 PolarHBondContact O-N 3.25Å; Y159-D161 VanDerWaalsContact O-N 3.15Å; D161-R251 PolarHBondContact O-NH2 2.83Å
162R96.9Very high96.5Very high89 Ų8931.8 Ų31.834%0.33616%0.155SC..SBendtrans-110.6149.1180-63.9-60.7-179.1-77.5-4.1110.9L130 F133 R156 Y159 P160 M164L130-R162 HydrophobicContact CD2-CG 4.04Å; L130-R162 HydrophobicContact CG-CG 4.39Å; L130-R162 WeakPolarHBondContact O-CD 3.47Å; L130-R162 PolarHBondContact O-NE 3.44Å; F133-R162 HydrophobicContact CD2-CB 4.49Å; F133-R162 HydrophobicContact CE2-CB 4.24Å; R156-R162 PolarHBondContact NH1-O 3.24Å; R156-R162 VanDerWaalsContact NH1-O 3.13Å; Y159-R162 HydrophobicContact CD1-CG 4.29Å; Y159-R162 PolarHBondContact O-N 3.47Å; P160-R162 VanDerWaalsContact C-N 3.28Å; P160-R162 PolarHBondContact O-N 3.21Å; R162-M164 PolarHBondContact O-N 3.15Å
163I97.1Very high95.2Very high4 Ų435.3 Ų35.32%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-72.1129.1-179.7-63.7-64.3000109.5Q131 G132 F133 N165 D197 L250 R251 A254Q131-I163 PolarHBondContact O-N 3.35Å; Q131-I163 VanDerWaalsContact O-N 3.12Å; G132-I163 CarbonylContact C-O 3.6Å; G132-I163 WeakPolarHBondContact CA-O 3.19Å; F133-I163 PolarHBondContact N-O 3.22Å; I163-N165 HydrophobicContact CG2-CB 4.42Å; I163-D197 VanDerWaalsContact CA-OD2 3.29Å; I163-D197 WeakPolarHBondContact CA-OD2 3.29Å; I163-D197 HydrophobicContact CD1-CB 4.11Å; I163-D197 HydrophobicContact CG2-CB 4.15Å; I163-L250 HydrophobicContact CB-CB 4.04Å; I163-L250 HydrophobicContact CG1-CB 4.15Å; I163-L250 HydrophobicContact CG2-CB 3.79Å; I163-L250 HydrophobicContact CG2-CD1 4.3Å; I163-R251 HydrophobicContact CD1-CB 4.07Å; I163-R251 HydrophobicContact CD1-CG 4.35Å; I163-R251 HydrophobicContact CG1-CB 3.97Å; I163-A254 HydrophobicContact CD1-CB 4.37Å
164M98.2Very high94Very high3 Ų341.9 Ų41.92%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-102.8104.7167.7-178.460.969.800109F133 I152 I155 R156 R162 T166 T196 D197 E198F133-M164 HydrophobicContact CB-CE 4.03Å; F133-M164 HydrophobicContact CB-SD 3.98Å; F133-M164 HydrophobicContact CD2-CE 4.34Å; F133-M164 HydrophobicContact CG-CE 4.42Å; I152-M164 HydrophobicContact CG1-SD 4.25Å; I152-M164 HydrophobicContact CG2-CG 4.16Å; I155-M164 HydrophobicContact CB-CE 3.46Å; I155-M164 VanDerWaalsContact CB-CE 3.46Å; I155-M164 HydrophobicContact CD1-CE 4.07Å; I155-M164 HydrophobicContact CG1-CE 4.35Å; I155-M164 HydrophobicContact CG2-CE 3.27Å; R156-M164 VanDerWaalsContact NH2-CB 3.3Å; R162-M164 PolarHBondContact O-N 3.15Å; M164-T166 HydrophobicContact CG-CG2 4.47Å; M164-T196 HydrophobicContact CG-CG2 3.89Å; M164-D197 PolarHBondContact N-OD2 3.33Å; M164-D197 PolarHBondContact O-N 2.81Å; M164-E198 PolarHBondContact O-N 2.93Å
165N97.4Very high92.8Very high0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-103.3135.6177.1173.819.7000109.8F133 Q134 L135 I163 E198 F200 L250F133-N165 PolarHBondContact O-N 2.99Å; Q134-N165 CarbonylContact C-O 3.57Å; Q134-N165 VanDerWaalsContact CA-O 3.26Å; Q134-N165 WeakPolarHBondContact CA-O 3.37Å; Q134-N165 PolarHBondContact NE2-ND2 3.24Å; L135-N165 PolarHBondContact N-O 2.94Å; I163-N165 HydrophobicContact CG2-CB 4.42Å; N165-E198 CarbonylContact C-O 3.58Å; N165-E198 WeakPolarHBondContact CA-O 3.43Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 3.29Å; N165-F200 WeakPolarHBondContact OD1-CD2 3.35Å; N165-F200 WeakPolarHBondContact OD1-CE2 3.34Å; N165-L250 HydrophobicContact CB-CD1 4.42Å; N165-L250 HydrophobicContact CB-CD2 4.44Å
166T98.5Very high91.9Very high0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-127.1141.4177.175.90000113.3L135 I152 M164 S168 L192 T196 E198 T199 F200L135-T166 HydrophobicContact CB-CG2 4.39Å; L135-T166 CarbonylContact O-C 3.09Å; L135-T166 VanDerWaalsContact O-CA 3.23Å; L135-T166 WeakPolarHBondContact O-CA 3.45Å; I152-T166 HydrophobicContact CD1-CG2 3.87Å; I152-T166 HydrophobicContact CG1-CG2 4.5Å; M164-T166 HydrophobicContact CG-CG2 4.47Å; T166-S168 PolarHBondContact OG1-OG 2.84Å; T166-L192 HydrophobicContact CG2-CD2 4.05Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; T166-E198 PolarHBondContact N-O 3.27Å; T166-T199 WeakPolarHBondContact OG1-CG2 3.35Å; T166-T199 PolarHBondContact OG1-OG1 3.21Å; T166-T199 VanDerWaalsContact OG1-OG1 3.1Å; T166-F200 WeakPolarHBondContact O-CB 3.23Å; T166-F200 PolarHBondContact O-N 3.31Å
167F98.5Very high91Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-10499.5162.1-70-85.3000107.5Q134 L135 T136 H137 F200 I202 M233 V236Q134-F167 HydrophobicContact CG-CD2 3.98Å; Q134-F167 HydrophobicContact CG-CE2 3.88Å; L135-F167 PolarHBondContact O-N 3.14Å; T136-F167 HydrophobicContact CG2-CB 4.27Å; H137-F167 PolarHBondContact N-O 3.06Å; H137-F167 VanDerWaalsContact N-O 3.17Å; F167-F200 HydrophobicContact CD1-CB 3.59Å; F167-F200 HydrophobicContact CD1-CD2 4.3Å; F167-F200 HydrophobicContact CD1-CG 4.02Å; F167-F200 HydrophobicContact CE1-CB 3.77Å; F167-F200 HydrophobicContact CE1-CD1 4.2Å; F167-F200 AromaticContact CE1-CD2 3.88Å; F167-F200 HydrophobicContact CE1-CD2 3.88Å; F167-F200 AromaticContact CE1-CG 3.67Å; F167-F200 HydrophobicContact CE1-CG 3.67Å; F167-F200 HydrophobicContact CE2-CD2 4.37Å; F167-F200 HydrophobicContact CG-CB 4.35Å; F167-F200 AromaticContact CZ-CD2 3.92Å; F167-F200 HydrophobicContact CZ-CD2 3.92Å; F167-F200 HydrophobicContact CZ-CE2 4.3Å; F167-F200 HydrophobicContact CZ-CG 4.18Å; F167-I202 HydrophobicContact CB-CD1 3.87Å; F167-I202 HydrophobicContact CD1-CD1 3.92Å; F167-I202 HydrophobicContact CG-CD1 4.39Å; F167-M233 HydrophobicContact CD1-CG 3.5Å; F167-M233 VanDerWaalsContact CD1-CG 3.5Å; F167-M233 HydrophobicContact CD2-CE 3.92Å; F167-M233 HydrophobicContact CD2-CG 3.95Å; F167-M233 HydrophobicContact CD2-SD 4.46Å; F167-M233 HydrophobicContact CE1-CB 4.19Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CB 4.46Å; F167-M233 HydrophobicContact CE2-CE 4.35Å; F167-M233 HydrophobicContact CE2-CG 4Å; F167-M233 HydrophobicContact CG-CE 4.25Å; F167-M233 HydrophobicContact CG-CG 3.7Å; F167-M233 HydrophobicContact CG-SD 4.23Å; F167-M233 HydrophobicContact CZ-CB 4.12Å; F167-M233 HydrophobicContact CZ-CG 3.78Å; F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.22Å; F167-V236 HydrophobicContact CZ-CG1 4.22Å; F167-V236 HydrophobicContact CZ-CG2 4.34Å
168S98.4Very high90.5Very high1 Ų143.7 Ų43.71%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-104.7107.2-167.1-72.40000110.4H137 T166 V170 F200 I202H137-S168 PolarHBondContact CD2-OG 3.36Å; H137-S168 PolarHBondContact NE2-OG 3.44Å; T166-S168 PolarHBondContact OG1-OG 2.84Å; S168-V170 PolarHBondContact O-N 3.45Å; S168-F200 PolarHBondContact N-O 3.32Å; S168-I202 PolarHBondContact O-N 2.74Å
169V97.2Very high90.1Very high1 Ų144 Ų441%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-78.3111.2177.3-177.70000110I16 H137 L139 I202 N204I16-V169 HydrophobicContact CD1-CG2 3.5Å; H137-V169 PolarHBondContact O-N 3.33Å; L139-V169 PolarHBondContact N-O 2.81Å; V169-I202 CarbonylContact C-O 3.56Å; V169-I202 WeakPolarHBondContact CA-O 3.33Å; V169-I202 HydrophobicContact CG2-CB 4.33Å; V169-I202 HydrophobicContact CG2-CG2 4.23Å; V169-N204 WeakPolarHBondContact CG1-ND2 3.29Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.46Å
170V95Very high89.9Confident2 Ų242 Ų421%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-83.5133179-173.50000109.2L139 S168 C201 I202 N204 L377 V381L139-V170 HydrophobicContact CD1-CG2 4.04Å; S168-V170 PolarHBondContact O-N 3.45Å; V170-C201 HydrophobicContact CG2-CB 4.45Å; V170-I202 PolarHBondContact N-O 2.9Å; V170-N204 PolarHBondContact O-N 2.93Å; V170-L377 HydrophobicContact CB-CD1 4.27Å; V170-L377 HydrophobicContact CG1-CD1 4.1Å; V170-L377 HydrophobicContact CG1-CD2 3.9Å; V170-L377 HydrophobicContact CG1-CG 4.07Å; V170-L377 HydrophobicContact CG2-CD1 3.99Å; V170-L377 HydrophobicContact CG2-CD2 4.19Å; V170-V381 HydrophobicContact CG1-CG2 4.4Å
171P90.5Very high89.8Confident11 Ų1139.2 Ų39.27%0.07121%0.207CC..  trans-67.515917925.7-33.2000113.1E181 A185P171-E181 HydrophobicContact CB-CB 3.81Å; P171-E181 VanDerWaalsContact CB-CD 3.41Å; P171-E181 HydrophobicContact CB-CG 3.96Å; P171-E181 WeakPolarHBondContact CB-OE2 3.44Å; P171-E181 HydrophobicContact CG-CB 4.01Å; P171-A185 HydrophobicContact CG-CB 3.81Å
172S81.6Confident89.8Confident0 Ų034.2 Ų34.20%018%0.181CC..  trans-140.3128.7168.1174.90000110.1K174 V175 S176 E205S172-K174 PolarHBondContact O-N 3.27Å; S172-K174 PolarHBondContact OG-N 3.48Å; S172-V175 PolarHBondContact O-N 2.78Å; S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.08Å; S172-E205 WeakPolarHBondContact OG-CB 3.38Å; S172-E205 PolarHBondContact OG-OE2 2.68Å
173P71.9Confident89.8Confident74 Ų7430 Ų3048%0.48117%0.165SC..THydrogen-bonded Turntrans-62.1-14.7176.4-17.627.2000114V175 Q384P173-V175 VanDerWaalsContact C-N 3.3Å; P173-Q384 VanDerWaalsContact CG-NE2 3.25Å
174K73.5Confident89.9Confident160 Ų16029.8 Ų29.870%0.69616%0.164SC*.THydrogen-bonded Turntrans-78.4-17.2176.6-65.9-178-176.3166.40112.8S172 E205S172-K174 PolarHBondContact O-N 3.27Å; S172-K174 PolarHBondContact OG-N 3.48Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.24Å; K174-E205 IonicContact NZ-OE1 3.18Å; K174-E205 PolarHBondContact NZ-OE1 3.02Å
175V73.7Confident89.8Confident36 Ų3629.7 Ų29.722%0.21816%0.163CC..THydrogen-bonded Turntrans-120.6-24.5-171-170.90000112S172 P173 N204S172-V175 PolarHBondContact O-N 2.78Å; P173-V175 VanDerWaalsContact C-N 3.3Å; V175-N204 HydrophobicContact CB-CB 4.39Å; V175-N204 HydrophobicContact CG1-CB 4.41Å; V175-N204 HydrophobicContact CG2-CB 4.46Å
176S78.9Confident89.8Confident24 Ų2429.7 Ų29.717%0.16816%0.163CC..  trans-117.5142.5-177.2-173.10000112.8S172 T178 E181S172-S176 PolarHBondContact O-N 3.35Å; S172-S176 VanDerWaalsContact O-N 3.08Å; S176-T178 PolarHBondContact OG-N 3.46Å; S176-E181 VanDerWaalsContact CB-CD 3.48Å; S176-E181 WeakPolarHBondContact CB-OE1 3.44Å; S176-E181 VanDerWaalsContact CB-OE2 3.27Å; S176-E181 WeakPolarHBondContact CB-OE2 3.27Å; S176-E181 PolarHBondContact OG-OE1 2.78Å; S176-E181 PolarHBondContact OG-OE2 3.21Å
177D78.5Confident89.8Confident167 Ų16729.9 Ų29.989%0.89317%0.165SC*.  trans-89.7-0.9174.7-65.3-41.7000112.8V179D177-V179 PolarHBondContact O-N 2.88Å
178T86.2Confident89.8Confident33 Ų3329.9 Ų29.920%0.20217%0.165CC..  trans-77.3111.5-175.7-61.10000110.8N99 S176 V180 E181N99-T178 HydrophobicContact CB-CG2 3.63Å; N99-T178 PolarHBondContact ND2-OG1 3.26Å; S176-T178 PolarHBondContact OG-N 3.46Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 4.1Å; T178-V180 PolarHBondContact O-N 3.36Å; T178-E181 HydrophobicContact CG2-CG 3.74Å; T178-E181 WeakPolarHBondContact O-CG 3.25Å
179V89.4Confident89.8Confident82 Ų8230.1 Ų30.150%0.49717%0.166SC..THydrogen-bonded Turntrans-70.5-22.4-172.7-59.90000114.8D177 M388 F394D177-V179 PolarHBondContact O-N 2.88Å; V179-M388 WeakPolarHBondContact O-CE 3.36Å; V179-M388 VanDerWaalsContact O-SD 3.39Å; V179-F394 HydrophobicContact CB-CE2 4.27Å; V179-F394 HydrophobicContact CG2-CD2 4.3Å; V179-F394 HydrophobicContact CG2-CE1 4.28Å; V179-F394 HydrophobicContact CG2-CE2 3.8Å; V179-F394 HydrophobicContact CG2-CZ 3.79Å
180V94.7Very high89.8Confident4 Ų432 Ų322%0.02418%0.175CC..THydrogen-bonded Turntrans-98.66.7-175.3-58.40000114.3N99 T178 P182 Y183 N184 F394 W397 Y398N99-V180 WeakPolarHBondContact O-CG2 3.44Å; T178-V180 VanDerWaalsContact C-N 3.32Å; T178-V180 HydrophobicContact CG2-CG2 4.1Å; T178-V180 PolarHBondContact O-N 3.36Å; V180-P182 VanDerWaalsContact C-N 3.31Å; V180-Y183 PolarHBondContact O-N 3.13Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; V180-N184 PolarHBondContact O-N 3.02Å; V180-F394 HydrophobicContact CG1-CB 3.86Å; V180-F394 HydrophobicContact CG1-CD2 4.15Å; V180-F394 HydrophobicContact CG1-CG 3.98Å; V180-W397 HydrophobicContact CG1-CE3 4.12Å; V180-W397 HydrophobicContact CG1-CZ3 4.21Å; V180-Y398 HydrophobicContact CB-CE2 4.29Å; V180-Y398 VanDerWaalsContact CB-OH 3.3Å; V180-Y398 WeakPolarHBondContact CB-OH 3.24Å; V180-Y398 HydrophobicContact CG1-CE2 4.37Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.15Å; V180-Y398 PolarHBondContact O-OH 2.73Å
181E94.6Very high89.9Confident16 Ų1633.5 Ų33.58%0.07518%0.181CC..Hα-helixtrans-52.2-38.7178.2-74.4-176.5156.300114.9P171 S176 T178 Y183 N184 A185P171-E181 HydrophobicContact CB-CB 3.81Å; P171-E181 VanDerWaalsContact CB-CD 3.41Å; P171-E181 HydrophobicContact CB-CG 3.96Å; P171-E181 WeakPolarHBondContact CB-OE2 3.44Å; P171-E181 HydrophobicContact CG-CB 4.01Å; S176-E181 VanDerWaalsContact CB-CD 3.48Å; S176-E181 WeakPolarHBondContact CB-OE1 3.44Å; S176-E181 VanDerWaalsContact CB-OE2 3.27Å; S176-E181 WeakPolarHBondContact CB-OE2 3.27Å; S176-E181 PolarHBondContact OG-OE1 2.78Å; S176-E181 PolarHBondContact OG-OE2 3.21Å; T178-E181 HydrophobicContact CG2-CG 3.74Å; T178-E181 WeakPolarHBondContact O-CG 3.25Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.44Å; E181-N184 PolarHBondContact O-N 2.81Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3Å
182P95.2Very high90.3Very high11 Ų1133 Ų337%0.07118%0.178CC..Hα-helixtrans-62-36.1179.5-26.337.2000113.4V180 T186 Q384 F385 M388V180-P182 VanDerWaalsContact C-N 3.31Å; P182-T186 VanDerWaalsContact O-CB 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.49Å; P182-T186 PolarHBondContact O-N 3.41Å; P182-T186 PolarHBondContact O-OG1 3.33Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; P182-F385 HydrophobicContact CB-CB 4.33Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.74Å
183Y97.3Very high91.1Very high0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-67.2-50.3173.8-69.1-28000111.3V180 E181 A185 T186 L187 F385 M388 F389 A393 L395 Y398 F408V180-Y183 PolarHBondContact O-N 3.13Å; V180-Y183 VanDerWaalsContact O-N 3.13Å; E181-Y183 VanDerWaalsContact C-N 3.29Å; E181-Y183 PolarHBondContact O-N 3.44Å; Y183-A185 VanDerWaalsContact C-N 3.31Å; Y183-A185 PolarHBondContact O-N 2.91Å; Y183-T186 PolarHBondContact O-N 3.23Å; Y183-L187 WeakPolarHBondContact O-CB 3.41Å; Y183-L187 VanDerWaalsContact O-CG 3.28Å; Y183-L187 WeakPolarHBondContact O-CG 3.28Å; Y183-L187 PolarHBondContact O-N 2.95Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.52Å; Y183-F385 HydrophobicContact CD1-CE2 3.52Å; Y183-F385 HydrophobicContact CD1-CG 4.33Å; Y183-F385 HydrophobicContact CD1-CZ 4.39Å; Y183-F385 HydrophobicContact CE1-CD2 4.06Å; Y183-F385 HydrophobicContact CE1-CE2 4.05Å; Y183-M388 HydrophobicContact CD2-CE 4.18Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.87Å; Y183-M388 PolarHBondContact OH-O 3.15Å; Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.25Å; Y183-F389 WeakPolarHBondContact OH-CA 3.46Å; Y183-F389 PolarHBondContact OH-N 3.15Å; Y183-A393 WeakPolarHBondContact CE2-O 3.49Å; Y183-A393 PolarHBondContact OH-O 3.04Å; Y183-L395 HydrophobicContact CE1-CD2 4.19Å; Y183-L395 HydrophobicContact CE2-CD2 3.79Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.47Å; Y183-Y398 HydrophobicContact CD2-CD2 4.32Å; Y183-Y398 AromaticContact CD2-CE2 3.68Å; Y183-Y398 HydrophobicContact CD2-CE2 3.68Å; Y183-Y398 AromaticContact CD2-CZ 3.99Å; Y183-Y398 HydrophobicContact CE2-CE2 4.49Å; Y183-Y398 HydrophobicContact CG-CE2 4.47Å; Y183-F408 HydrophobicContact CD1-CD1 4.07Å; Y183-F408 AromaticContact CD1-CE1 3.83Å; Y183-F408 HydrophobicContact CD1-CE1 3.83Å; Y183-F408 HydrophobicContact CD2-CE1 4.12Å; Y183-F408 HydrophobicContact CE1-CD1 4.41Å; Y183-F408 HydrophobicContact CE1-CE1 4.31Å; Y183-F408 HydrophobicContact CG-CD1 4.43Å; Y183-F408 AromaticContact CG-CE1 3.74Å; Y183-F408 HydrophobicContact CG-CE1 3.74Å
184N97.5Very high92.2Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-57.6-45.7179.1-65.4-13.2000111.5N99 W101 L139 G140 V180 E181 S188 Y398N99-N184 PolarHBondContact O-ND2 3.01Å; W101-N184 HydrophobicContact CB-CB 4.21Å; W101-N184 WeakPolarHBondContact CB-OD1 3.32Å; W101-N184 PolarHBondContact N-OD1 3.47Å; L139-N184 CarbonylContact O-C 3.3Å; L139-N184 VanDerWaalsContact O-CB 3.26Å; L139-N184 WeakPolarHBondContact O-CB 3.32Å; G140-N184 PolarHBondContact O-ND2 3.02Å; V180-N184 PolarHBondContact O-N 3.02Å; E181-N184 PolarHBondContact O-N 2.81Å; N184-S188 WeakPolarHBondContact O-CB 3.39Å; N184-S188 PolarHBondContact O-N 2.78Å; N184-S188 PolarHBondContact O-OG 3.06Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.28Å; N184-Y398 PolarHBondContact OD1-OH 3.04Å
185A97Very high93.4Very high1 Ų128.4 Ų28.41%0.00815%0.154CC..Hα-helixtrans-64.4-44.9-179.800000111.6L139 P171 E181 Y183 S188 V189 V381L139-A185 HydrophobicContact CB-CB 4.32Å; L139-A185 WeakPolarHBondContact O-CA 3.31Å; L139-A185 PolarHBondContact O-N 2.74Å; L139-A185 VanDerWaalsContact O-N 3.09Å; P171-A185 HydrophobicContact CG-CB 3.81Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.45Å; E181-A185 PolarHBondContact O-N 3Å; Y183-A185 VanDerWaalsContact C-N 3.31Å; Y183-A185 PolarHBondContact O-N 2.91Å; A185-S188 PolarHBondContact O-N 2.84Å; A185-V189 WeakPolarHBondContact O-CG2 3.39Å; A185-V189 PolarHBondContact O-N 2.72Å; A185-V381 HydrophobicContact CB-CG1 3.78Å; A185-V381 HydrophobicContact CB-CG2 4.49Å
186T97.6Very high94.6Very high0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-61.4-47.9179-61.30000111.8P182 Y183 S188 V189 H190 F385 A411 M415P182-T186 VanDerWaalsContact O-CB 3.31Å; P182-T186 WeakPolarHBondContact O-CB 3.49Å; P182-T186 PolarHBondContact O-N 3.41Å; P182-T186 PolarHBondContact O-OG1 3.33Å; Y183-T186 PolarHBondContact O-N 3.23Å; T186-S188 VanDerWaalsContact C-N 3.32Å; T186-S188 PolarHBondContact O-N 3.07Å; T186-V189 PolarHBondContact O-N 3.24Å; T186-H190 PolarHBondContact O-N 3.44Å; T186-F385 VanDerWaalsContact CB-CD2 3.47Å; T186-F385 HydrophobicContact CG2-CD2 3.64Å; T186-F385 HydrophobicContact CG2-CE2 3.63Å; T186-F385 HydrophobicContact CG2-CG 4.23Å; T186-F385 HydrophobicContact CG2-CZ 4.25Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.43Å; T186-A411 HydrophobicContact CG2-CB 3.88Å; T186-M415 HydrophobicContact CG2-CE 3.48Å; T186-M415 VanDerWaalsContact CG2-CE 3.48Å; T186-M415 WeakPolarHBondContact OG1-CE 3.26Å
187L98.3Very high95.5Very high5 Ų528 Ų283%0.02615%0.149CC..Hα-helixtrans-64.4-38.4178-65.6166.8000111.7W101 Y183 H190 Q191 Y398 M403 F408 A411W101-L187 HydrophobicContact CB-CD1 4.29Å; W101-L187 HydrophobicContact CD2-CB 3.8Å; W101-L187 HydrophobicContact CD2-CD1 3.88Å; W101-L187 HydrophobicContact CD2-CG 4.44Å; W101-L187 HydrophobicContact CE3-CB 4.22Å; W101-L187 HydrophobicContact CE3-CD1 3.68Å; W101-L187 HydrophobicContact CE3-CG 4.45Å; W101-L187 HydrophobicContact CG-CB 4.06Å; W101-L187 HydrophobicContact CG-CD1 4.14Å; W101-L187 HydrophobicContact CZ2-CB 4.23Å; W101-L187 HydrophobicContact CZ3-CD1 4.33Å; Y183-L187 WeakPolarHBondContact O-CB 3.41Å; Y183-L187 VanDerWaalsContact O-CG 3.28Å; Y183-L187 WeakPolarHBondContact O-CG 3.28Å; Y183-L187 PolarHBondContact O-N 2.95Å; L187-H190 WeakPolarHBondContact O-CB 3.44Å; L187-Q191 PolarHBondContact O-N 3.14Å; L187-Y398 HydrophobicContact CD1-CD1 4.14Å; L187-Y398 HydrophobicContact CD1-CE1 4.04Å; L187-M403 HydrophobicContact CD1-CE 3.66Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.15Å; L187-F408 HydrophobicContact CD1-CE1 4.1Å; L187-F408 HydrophobicContact CD1-CZ 4.46Å; L187-A411 HydrophobicContact CD2-CB 3.8Å
188S98.3Very high96.4Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-69.1-42.5174.9-74.80000113.5W101 S145 N184 A185 T186 H190 Q191 L192W101-S188 PolarHBondContact NE1-OG 3.11Å; S145-S188 VanDerWaalsContact CA-OG 3.32Å; S145-S188 WeakPolarHBondContact CA-OG 3.5Å; S145-S188 WeakPolarHBondContact CB-OG 3.36Å; S145-S188 PolarHBondContact O-OG 3.09Å; N184-S188 WeakPolarHBondContact O-CB 3.39Å; N184-S188 PolarHBondContact O-N 2.78Å; N184-S188 PolarHBondContact O-OG 3.06Å; A185-S188 PolarHBondContact O-N 2.84Å; T186-S188 VanDerWaalsContact C-N 3.32Å; T186-S188 PolarHBondContact O-N 3.07Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 2.92Å; S188-Q191 PolarHBondContact O-N 3.49Å; S188-Q191 VanDerWaalsContact O-N 3.15Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.36Å; S188-L192 PolarHBondContact O-N 2.86Å
189V97.9Very high97Very high5 Ų518.5 Ų18.53%0.0310%0.097CC..Hα-helixtrans-58.9-42.9176171.30000110L139 A185 T186 Q191 L192 V193 F265 F378 L418L139-V189 HydrophobicContact CD1-CG2 4.25Å; A185-V189 WeakPolarHBondContact O-CG2 3.39Å; A185-V189 PolarHBondContact O-N 2.72Å; T186-V189 PolarHBondContact O-N 3.24Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 2.8Å; V189-L192 PolarHBondContact O-N 2.92Å; V189-L192 VanDerWaalsContact O-N 3.08Å; V189-V193 HydrophobicContact CG1-CG2 4.12Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 2.69Å; V189-F265 HydrophobicContact CG1-CZ 4.39Å; V189-F378 HydrophobicContact CG1-CD1 4.17Å; V189-F378 HydrophobicContact CG1-CE1 3.98Å; V189-F378 HydrophobicContact CG2-CD1 4.32Å; V189-F378 HydrophobicContact CG2-CE1 4.1Å; V189-L418 HydrophobicContact CG1-CD2 4.37Å
190H97.8Very high97.4Very high42 Ų4214.6 Ų14.619%0.1947%0.073CC..Hα-helixtrans-52.8-46.7175.1174.887.5000112.1T186 L187 S188 A411 N414T186-H190 PolarHBondContact O-N 3.44Å; L187-H190 WeakPolarHBondContact O-CB 3.44Å; S188-H190 VanDerWaalsContact C-N 3.26Å; S188-H190 PolarHBondContact O-N 2.92Å; H190-A411 HydrophobicContact CB-CB 3.71Å; H190-N414 WeakPolarHBondContact ND1-CB 3.41Å; H190-N414 PolarHBondContact ND1-ND2 3.47Å
191Q98Very high97.5Very high33 Ų3314.6 Ų14.615%0.1547%0.073CC..Hα-helixtrans-69.7-36176.7-66.1-62.3-3300113.3W101 T149 L187 S188 V189 N195W101-Q191 HydrophobicContact CZ2-CG 4.23Å; T149-Q191 HydrophobicContact CG2-CB 3.93Å; L187-Q191 PolarHBondContact O-N 3.14Å; S188-Q191 PolarHBondContact O-N 3.49Å; S188-Q191 VanDerWaalsContact O-N 3.15Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; V189-Q191 PolarHBondContact O-N 2.8Å; Q191-N195 VanDerWaalsContact O-CB 3.31Å; Q191-N195 WeakPolarHBondContact O-CB 3.46Å; Q191-N195 PolarHBondContact O-N 3.01Å; Q191-N195 VanDerWaalsContact O-N 3.1Å; Q191-N195 PolarHBondContact O-ND2 2.96Å; Q191-N195 PolarHBondContact OE1-ND2 3.28Å
192L98.4Very high97.7Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-66.9-40.2179.9-70.4169.2000112.1L139 I152 T166 S188 V189 E194 T196 T199 H264 F265L139-L192 HydrophobicContact CD1-CD1 4.03Å; L139-L192 HydrophobicContact CD2-CD1 3.73Å; I152-L192 HydrophobicContact CD1-CD2 3.73Å; T166-L192 HydrophobicContact CG2-CD2 4.05Å; S188-L192 VanDerWaalsContact O-CG 3.25Å; S188-L192 WeakPolarHBondContact O-CG 3.36Å; S188-L192 PolarHBondContact O-N 2.86Å; V189-L192 PolarHBondContact O-N 2.92Å; V189-L192 VanDerWaalsContact O-N 3.08Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.83Å; L192-T196 HydrophobicContact CB-CG2 4.44Å; L192-T196 HydrophobicContact CD2-CG2 3.52Å; L192-T196 PolarHBondContact O-N 2.78Å; L192-T196 VanDerWaalsContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 3.08Å; L192-T199 HydrophobicContact CD1-CG2 4.31Å; L192-H264 PolarHBondContact O-CE1 3.34Å; L192-H264 VanDerWaalsContact O-CE1 3.25Å; L192-H264 PolarHBondContact O-NE2 3.36Å; L192-F265 HydrophobicContact CB-CE1 4.18Å; L192-F265 HydrophobicContact CB-CZ 4.19Å
193V97.9Very high97.7Very high8 Ų813.3 Ų13.35%0.0487%0.066CC..Hα-helixtrans-54.8-46.2178.2171.60000110.7V189 R262 H264 F265 L418V189-V193 HydrophobicContact CG1-CG2 4.12Å; V189-V193 VanDerWaalsContact O-CG2 3.3Å; V189-V193 WeakPolarHBondContact O-CG2 3.24Å; V189-V193 PolarHBondContact O-N 2.69Å; V193-R262 HydrophobicContact CG1-CG 4.13Å; V193-R262 VanDerWaalsContact CG1-NH1 3.3Å; V193-H264 PolarHBondContact O-NE2 3.32Å; V193-H264 VanDerWaalsContact O-NE2 3.14Å; V193-F265 HydrophobicContact CG2-CE2 3.82Å; V193-F265 HydrophobicContact CG2-CZ 3.71Å; V193-L418 HydrophobicContact CG2-CD1 4.42Å; V193-L418 HydrophobicContact CG2-CD2 3.76Å
194E95.9Very high97.4Very high107 Ų10714.2 Ų14.250%0.57%0.071SC..Hα-helixtrans-83.2-31.8-173.7-58.2-55.6141.200113.5L192 R262 N414L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 2.83Å; E194-R262 IonicContact OE1-NH1 2.84Å; E194-R262 PolarHBondContact OE1-NH1 2.97Å; E194-N414 PolarHBondContact OE1-ND2 2.87Å
195N98Very high97.2Very high22 Ų2215.6 Ų15.612%0.1188%0.078CC..Hα-helixtrans-114-5-164.3-62.9-69.3000115.3I152 R156 Q191I152-N195 HydrophobicContact CG2-CB 3.44Å; I152-N195 VanDerWaalsContact CG2-CB 3.44Å; R156-N195 HydrophobicContact CB-CB 4.38Å; R156-N195 PolarHBondContact NE-O 2.83Å; R156-N195 PolarHBondContact NH2-O 3Å; Q191-N195 VanDerWaalsContact O-CB 3.31Å; Q191-N195 WeakPolarHBondContact O-CB 3.46Å; Q191-N195 PolarHBondContact O-N 3.01Å; Q191-N195 VanDerWaalsContact O-N 3.1Å; Q191-N195 PolarHBondContact O-ND2 2.96Å; Q191-N195 PolarHBondContact OE1-ND2 3.28Å
196T98.2Very high97.1Very high7 Ų716 Ų164%0.0438%0.08CC..  trans-112.3155.2179.767.40000112.9I152 M164 T166 L192 T199 H264I152-T196 HydrophobicContact CD1-CG2 4.34Å; I152-T196 HydrophobicContact CG2-CG2 3.81Å; M164-T196 HydrophobicContact CG-CG2 3.89Å; T166-T196 HydrophobicContact CG2-CG2 3.59Å; L192-T196 HydrophobicContact CB-CG2 4.44Å; L192-T196 HydrophobicContact CD2-CG2 3.52Å; L192-T196 PolarHBondContact O-N 2.78Å; L192-T196 VanDerWaalsContact O-N 3.15Å; L192-T196 PolarHBondContact O-OG1 3.08Å; T196-T199 PolarHBondContact OG1-OG1 2.98Å; T196-H264 PolarHBondContact O-CD2 3.14Å; T196-H264 PolarHBondContact O-NE2 3.09Å; T196-H264 PolarHBondContact OG1-CE1 2.84Å; T196-H264 PolarHBondContact OG1-NE2 3.32Å
197D98Very high97Very high45 Ų4516 Ų1624%0.2418%0.081CC..SBendtrans-105.3-24.7175.3-54.8-75.6000112.4R156 I163 M164 H264R156-D197 IonicContact CZ-OD1 2.79Å; R156-D197 IonicContact CZ-OD2 3.27Å; R156-D197 IonicContact NH1-OD1 3.42Å; R156-D197 IonicContact NH1-OD2 3.98Å; R156-D197 PolarHBondContact NH1-OD2 2.97Å; R156-D197 IonicContact NH2-OD1 3.59Å; R156-D197 PolarHBondContact NH2-OD1 2.97Å; R156-D197 IonicContact NH2-OD2 3.06Å; R156-D197 PolarHBondContact NH2-OD2 2.67Å; I163-D197 VanDerWaalsContact CA-OD2 3.29Å; I163-D197 WeakPolarHBondContact CA-OD2 3.29Å; I163-D197 HydrophobicContact CD1-CB 4.11Å; I163-D197 HydrophobicContact CG2-CB 4.15Å; M164-D197 PolarHBondContact N-OD2 3.33Å; M164-D197 PolarHBondContact O-N 2.81Å; D197-H264 WeakPolarHBondContact O-CB 3.37Å
198E97.6Very high96.8Very high0 Ų020 Ų200%010%0.096CC..EExtended strand (participates in β ladder)trans-145.3113.8-177.7-63.1-176.5162.900108.7M164 N165 T166 F200 L250 L253 A254 F266M164-E198 PolarHBondContact O-N 2.93Å; N165-E198 CarbonylContact C-O 3.58Å; N165-E198 WeakPolarHBondContact CA-O 3.43Å; N165-E198 HydrophobicContact CB-CB 4.28Å; N165-E198 PolarHBondContact OD1-O 3.29Å; T166-E198 PolarHBondContact N-O 3.27Å; E198-F200 HydrophobicContact CB-CE2 4.18Å; E198-L250 WeakPolarHBondContact OE2-CD2 3.42Å; E198-L253 WeakPolarHBondContact OE1-CB 3.45Å; E198-L253 WeakPolarHBondContact OE1-CG 3.37Å; E198-A254 HydrophobicContact CG-CB 4.02Å; E198-A254 WeakPolarHBondContact OE1-CA 3.16Å; E198-A254 WeakPolarHBondContact OE1-CB 3.42Å; E198-A254 PolarHBondContact OE1-N 2.83Å; E198-F266 HydrophobicContact CB-CD2 4.49Å; E198-F266 HydrophobicContact CB-CE2 3.8Å; E198-F266 HydrophobicContact CG-CE2 3.91Å; E198-F266 HydrophobicContact CG-CZ 4.49Å
199T98.4Very high96.6Very high1 Ų122 Ų221%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-120.2102.8178.4-70.90000111T166 L192 T196 C201 H264 F265 F266T166-T199 WeakPolarHBondContact OG1-CG2 3.35Å; T166-T199 PolarHBondContact OG1-OG1 3.21Å; T166-T199 VanDerWaalsContact OG1-OG1 3.1Å; L192-T199 HydrophobicContact CD1-CG2 4.31Å; T196-T199 PolarHBondContact OG1-OG1 2.98Å; T199-C201 PolarHBondContact O-N 2.67Å; T199-H264 PolarHBondContact N-O 3.33Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.37Å; T199-F265 WeakPolarHBondContact O-CA 3.42Å; T199-F266 PolarHBondContact O-N 3.2Å
200F98.3Very high96.5Very high0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-78.6107.2174-64.8-90.4000109.7N165 T166 F167 S168 E198 V236 L253 F266 P268 I368N165-F200 WeakPolarHBondContact OD1-CD2 3.35Å; N165-F200 WeakPolarHBondContact OD1-CE2 3.34Å; T166-F200 WeakPolarHBondContact O-CB 3.23Å; T166-F200 PolarHBondContact O-N 3.31Å; F167-F200 HydrophobicContact CD1-CB 3.59Å; F167-F200 HydrophobicContact CD1-CD2 4.3Å; F167-F200 HydrophobicContact CD1-CG 4.02Å; F167-F200 HydrophobicContact CE1-CB 3.77Å; F167-F200 HydrophobicContact CE1-CD1 4.2Å; F167-F200 AromaticContact CE1-CD2 3.88Å; F167-F200 HydrophobicContact CE1-CD2 3.88Å; F167-F200 AromaticContact CE1-CG 3.67Å; F167-F200 HydrophobicContact CE1-CG 3.67Å; F167-F200 HydrophobicContact CE2-CD2 4.37Å; F167-F200 HydrophobicContact CG-CB 4.35Å; F167-F200 AromaticContact CZ-CD2 3.92Å; F167-F200 HydrophobicContact CZ-CD2 3.92Å; F167-F200 HydrophobicContact CZ-CE2 4.3Å; F167-F200 HydrophobicContact CZ-CG 4.18Å; S168-F200 PolarHBondContact N-O 3.32Å; E198-F200 HydrophobicContact CB-CE2 4.18Å; F200-V236 HydrophobicContact CD1-CG2 4.22Å; F200-V236 HydrophobicContact CE1-CG1 3.95Å; F200-V236 HydrophobicContact CE1-CG2 3.7Å; F200-V236 HydrophobicContact CE2-CG1 4.04Å; F200-V236 HydrophobicContact CZ-CB 4.49Å; F200-V236 HydrophobicContact CZ-CG1 3.48Å; F200-V236 VanDerWaalsContact CZ-CG1 3.48Å; F200-V236 HydrophobicContact CZ-CG2 4.13Å; F200-L253 HydrophobicContact CZ-CD2 4.3Å; F200-F266 HydrophobicContact CD1-CB 4.05Å; F200-F266 HydrophobicContact CD1-CD2 4.09Å; F200-F266 HydrophobicContact CD2-CD2 4.39Å; F200-F266 HydrophobicContact CE1-CB 4.3Å; F200-F266 AromaticContact CE1-CD2 3.78Å; F200-F266 HydrophobicContact CE1-CD2 3.78Å; F200-F266 HydrophobicContact CE1-CG 4.42Å; F200-F266 HydrophobicContact CE2-CD2 4.06Å; F200-F266 HydrophobicContact CE2-CE2 4.46Å; F200-F266 HydrophobicContact CG-CD2 4.39Å; F200-F266 AromaticContact CZ-CD2 3.75Å; F200-F266 HydrophobicContact CZ-CD2 3.75Å; F200-F266 HydrophobicContact CZ-CE2 4.2Å; F200-P268 HydrophobicContact CB-CG 4.43Å; F200-P268 HydrophobicContact CD1-CB 4.18Å; F200-I368 HydrophobicContact CD1-CG2 4.45Å; F200-I368 HydrophobicContact CE1-CB 4.43Å; F200-I368 HydrophobicContact CE1-CD1 3.89Å; F200-I368 HydrophobicContact CE1-CG1 3.96Å; F200-I368 HydrophobicContact CE1-CG2 3.67Å; F200-I368 HydrophobicContact CZ-CD1 4.23Å; F200-I368 HydrophobicContact CZ-CG2 4.42Å
201C98Very high96.4Very high3 Ų319.8 Ų19.82%0.0210%0.096CC..EExtended strand (participates in β ladder)trans-80.9120.3-179-64.40000110.6V170 T199 F266 P268 I374 L377V170-C201 HydrophobicContact CG2-CB 4.45Å; T199-C201 PolarHBondContact O-N 2.67Å; C201-F266 WeakPolarHBondContact CB-O 3.29Å; C201-F266 PolarHBondContact N-O 3.48Å; C201-P268 WeakPolarHBondContact O-CD 3.37Å; C201-I374 HydrophobicContact CB-CD1 4.06Å; C201-L377 HydrophobicContact CB-CD1 4.41Å
202I97.2Very high96.2Very high1 Ų122.9 Ų22.91%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-119105.3-179.6-65.3157.9000108.4F167 S168 V169 V170 L207 V229 P268 M300F167-I202 HydrophobicContact CB-CD1 3.87Å; F167-I202 HydrophobicContact CD1-CD1 3.92Å; F167-I202 HydrophobicContact CG-CD1 4.39Å; S168-I202 PolarHBondContact O-N 2.74Å; V169-I202 CarbonylContact C-O 3.56Å; V169-I202 WeakPolarHBondContact CA-O 3.33Å; V169-I202 HydrophobicContact CG2-CB 4.33Å; V169-I202 HydrophobicContact CG2-CG2 4.23Å; V170-I202 PolarHBondContact N-O 2.9Å; I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.36Å; I202-L207 HydrophobicContact CG2-CG 4.03Å; I202-V229 HydrophobicContact CD1-CG1 3.53Å; I202-V229 HydrophobicContact CD1-CG2 4.4Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å; I202-P268 HydrophobicContact CG1-CG 4.39Å; I202-M300 CarbonylContact C-O 3.47Å
203D95.2Very high95.9Very high0 Ų030.7 Ų30.70%014%0.139CC..EExtended strand (participates in β ladder)trans-91.2121.1-178.2-170.6-23.6000111.1E205 A206 L207 M300 A302 R380D203-E205 PolarHBondContact O-N 2.83Å; D203-E205 WeakPolarHBondContact OD1-CB 3.45Å; D203-E205 PolarHBondContact OD1-N 3.42Å; D203-A206 HydrophobicContact CB-CB 4.03Å; D203-A206 PolarHBondContact O-N 3.03Å; D203-A206 VanDerWaalsContact O-N 3.09Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.04Å; D203-M300 WeakPolarHBondContact CB-O 3.05Å; D203-M300 PolarHBondContact N-O 3.46Å; D203-A302 HydrophobicContact CB-CB 4.48Å; D203-A302 WeakPolarHBondContact OD2-CB 3.22Å; D203-A302 PolarHBondContact OD2-N 2.65Å; D203-R380 IonicContact OD1-NH2 2.61Å; D203-R380 IonicContact OD2-CZ 3.94Å; D203-R380 VanDerWaalsContact OD2-CZ 3.27Å; D203-R380 IonicContact OD2-NH1 3.79Å; D203-R380 PolarHBondContact OD2-NH1 3.39Å; D203-R380 IonicContact OD2-NH2 3.65Å; D203-R380 PolarHBondContact OD2-NH2 3.31Å
204N93Very high95.7Very high18 Ų1832.1 Ų32.110%0.09615%0.148CC..Hα-helixtrans-57.7-30.9176.3-82.7-28.6000113V169 V170 V175 Y208V169-N204 WeakPolarHBondContact CG1-ND2 3.29Å; V169-N204 WeakPolarHBondContact CG1-OD1 3.46Å; V170-N204 PolarHBondContact O-N 2.93Å; V175-N204 HydrophobicContact CB-CB 4.39Å; V175-N204 HydrophobicContact CG1-CB 4.41Å; V175-N204 HydrophobicContact CG2-CB 4.46Å; N204-Y208 VanDerWaalsContact O-CB 3.28Å; N204-Y208 WeakPolarHBondContact O-CB 3.44Å; N204-Y208 PolarHBondContact O-N 2.92Å
205E92.9Very high95.6Very high30 Ų3028.6 Ų28.614%0.1413%0.132CC..Hα-helixtrans-64.5-47.7174.7-168.5166.6160.600111.5S172 K174 D203 Y208 D209 A302 R380S172-E205 WeakPolarHBondContact OG-CB 3.38Å; S172-E205 PolarHBondContact OG-OE2 2.68Å; K174-E205 HydrophobicContact CD-CG 4.25Å; K174-E205 WeakPolarHBondContact CE-OE1 3.24Å; K174-E205 IonicContact NZ-OE1 3.18Å; K174-E205 PolarHBondContact NZ-OE1 3.02Å; D203-E205 PolarHBondContact O-N 2.83Å; D203-E205 WeakPolarHBondContact OD1-CB 3.45Å; D203-E205 PolarHBondContact OD1-N 3.42Å; E205-Y208 PolarHBondContact O-N 3.17Å; E205-D209 WeakPolarHBondContact O-CB 3.09Å; E205-D209 PolarHBondContact O-N 3.02Å; E205-A302 HydrophobicContact CB-CB 4.44Å; E205-R380 IonicContact OE2-NH1 2.61Å
206A94.8Very high95.4Very high8 Ų834.4 Ų34.47%0.06616%0.156CC..Hα-helixtrans-65.2-43.8179.600000111.2D203 Y208 D209 I210 A302D203-A206 HydrophobicContact CB-CB 4.03Å; D203-A206 PolarHBondContact O-N 3.03Å; D203-A206 VanDerWaalsContact O-N 3.09Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 3.04Å; A206-D209 PolarHBondContact O-N 2.78Å; A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.12Å; A206-I210 PolarHBondContact O-N 2.87Å; A206-A302 HydrophobicContact CB-CB 4.15Å
207L95.4Very high95.2Very high2 Ų235.8 Ų35.81%0.0116%0.163CC..Hα-helixtrans-60.6-43.6175.8-68.1178.5000112.1I202 D203 I210 C211 L225 L228 V229 M300I202-L207 HydrophobicContact CG2-CD1 3.45Å; I202-L207 VanDerWaalsContact CG2-CD1 3.45Å; I202-L207 HydrophobicContact CG2-CD2 4.36Å; I202-L207 HydrophobicContact CG2-CG 4.03Å; D203-L207 WeakPolarHBondContact O-CG 3.47Å; D203-L207 PolarHBondContact O-N 3.04Å; L207-I210 PolarHBondContact O-N 3.27Å; L207-C211 WeakPolarHBondContact O-CB 3.3Å; L207-C211 PolarHBondContact O-N 2.73Å; L207-C211 PolarHBondContact O-SG 3.08Å; L207-L225 HydrophobicContact CB-CB 4.42Å; L207-L225 HydrophobicContact CB-CD2 4.13Å; L207-L225 HydrophobicContact CB-CG 3.89Å; L207-L225 HydrophobicContact CD1-CB 4.22Å; L207-L225 HydrophobicContact CD1-CG 4.47Å; L207-L228 HydrophobicContact CD2-CB 4.16Å; L207-L228 HydrophobicContact CD2-CD1 4.4Å; L207-V229 HydrophobicContact CD1-CG2 3.61Å; L207-V229 HydrophobicContact CD2-CG2 4.1Å; L207-M300 HydrophobicContact CD2-CB 4.16Å; L207-M300 HydrophobicContact CD2-CE 4.43Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.81Å
208Y93.8Very high94.9Very high87 Ų8739.1 Ų39.134%0.34119%0.185SC..Hα-helixtrans-62.1-45.9176.7-173.2-86.7000111.2N204 E205 A206 I210 C211 F212 P220N204-Y208 VanDerWaalsContact O-CB 3.28Å; N204-Y208 WeakPolarHBondContact O-CB 3.44Å; N204-Y208 PolarHBondContact O-N 2.92Å; E205-Y208 PolarHBondContact O-N 3.17Å; A206-Y208 VanDerWaalsContact C-N 3.34Å; A206-Y208 PolarHBondContact O-N 3.04Å; Y208-I210 PolarHBondContact O-N 2.83Å; Y208-C211 PolarHBondContact O-N 3.44Å; Y208-F212 HydrophobicContact CD1-CB 4.38Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.4Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.1Å; Y208-F212 PolarHBondContact O-N 3.25Å; Y208-P220 HydrophobicContact CD2-CB 4Å; Y208-P220 HydrophobicContact CD2-CG 4.18Å; Y208-P220 HydrophobicContact CE2-CB 3.95Å; Y208-P220 HydrophobicContact CE2-CG 3.88Å
209D94.2Very high94.6Very high44 Ų4445.3 Ų45.324%0.23522%0.218CC..Hα-helixtrans-64-38.8178.4-92.6-19.6000112.4E205 A206 R213E205-D209 WeakPolarHBondContact O-CB 3.09Å; E205-D209 PolarHBondContact O-N 3.02Å; A206-D209 PolarHBondContact O-N 2.78Å; D209-R213 VanDerWaalsContact CG-NH2 3.32Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.12Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 3.28Å; D209-R213 IonicContact OD1-CZ 3.56Å; D209-R213 IonicContact OD1-NE 2.68Å; D209-R213 PolarHBondContact OD1-NE 2.55Å; D209-R213 IonicContact OD1-NH2 3.83Å; D209-R213 PolarHBondContact OD1-NH2 2.98Å; D209-R213 IonicContact OD2-CZ 3.7Å; D209-R213 IonicContact OD2-NE 3.19Å; D209-R213 IonicContact OD2-NH1 2.9Å; D209-R213 IonicContact OD2-NH2 3.05Å; D209-R213 PolarHBondContact OD2-NH2 3.47Å
210I95.4Very high94.3Very high0 Ų046.1 Ų46.10%022%0.224CC..Iπ-helixtrans-60.1-51172.6-70.9165.1000110.2A206 L207 Y208 F212 T214 L215 L228 L273 K297 M300A206-I210 VanDerWaalsContact O-CG1 3.31Å; A206-I210 WeakPolarHBondContact O-CG1 3.12Å; A206-I210 PolarHBondContact O-N 2.87Å; L207-I210 PolarHBondContact O-N 3.27Å; Y208-I210 PolarHBondContact O-N 2.83Å; I210-F212 PolarHBondContact O-N 3.38Å; I210-T214 CarbonylContact O-C 3.49Å; I210-T214 WeakPolarHBondContact O-CA 3.01Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.21Å; I210-T214 PolarHBondContact O-N 3.14Å; I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.04Å; I210-L228 HydrophobicContact CB-CD1 4.2Å; I210-L228 HydrophobicContact CG2-CD1 3.62Å; I210-L273 HydrophobicContact CD1-CD1 4.5Å; I210-L273 HydrophobicContact CG2-CD1 3.83Å; I210-L273 HydrophobicContact CG2-CD2 3.91Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; I210-K297 VanDerWaalsContact CG1-O 3.26Å; I210-K297 WeakPolarHBondContact CG1-O 3.44Å; I210-M300 HydrophobicContact CD1-CG 4.25Å
211C94.8Very high94.1Very high0 Ų049.8 Ų49.80%025%0.246CC..Iπ-helixtrans-60.7-47-180-76.80000112L207 Y208 L215 K216 L217 P220 L228L207-C211 WeakPolarHBondContact O-CB 3.3Å; L207-C211 PolarHBondContact O-N 2.73Å; L207-C211 PolarHBondContact O-SG 3.08Å; Y208-C211 PolarHBondContact O-N 3.44Å; C211-L215 CarbonylContact O-C 3.46Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; C211-K216 PolarHBondContact O-N 2.88Å; C211-L217 HydrophobicContact CB-CD1 4.08Å; C211-L217 WeakPolarHBondContact O-CB 3.47Å; C211-L217 WeakPolarHBondContact O-CG 3.07Å; C211-L217 PolarHBondContact O-N 2.87Å; C211-P220 HydrophobicContact CB-CB 3.64Å; C211-P220 HydrophobicContact CB-CG 3.73Å; C211-L228 VanDerWaalsContact SG-CD1 3.56Å
212F94.2Very high93.7Very high98 Ų9855.1 Ų55.143%0.4327%0.267SS..Iπ-helixtrans-73.6-52.1-175.9-176.6-109.1000112.4Y208 I210 K216 L217 P220Y208-F212 HydrophobicContact CD1-CB 4.38Å; Y208-F212 HydrophobicContact CE1-CB 4.13Å; Y208-F212 HydrophobicContact CE1-CG 4.4Å; Y208-F212 VanDerWaalsContact O-CB 3.29Å; Y208-F212 WeakPolarHBondContact O-CB 3.1Å; Y208-F212 PolarHBondContact O-N 3.25Å; I210-F212 PolarHBondContact O-N 3.38Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.31Å; F212-K216 PolarHBondContact O-N 2.84Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.1Å; F212-P220 HydrophobicContact CB-CG 3.98Å
213R93.2Very high93.6Very high164 Ų16457.2 Ų57.262%0.61929%0.289SS*.Iπ-helixtrans-87.2-46-171.4-55.4-177.2-167.8-178.89.5112.4D209D209-R213 VanDerWaalsContact CG-NH2 3.32Å; D209-R213 VanDerWaalsContact O-CB 3.25Å; D209-R213 WeakPolarHBondContact O-CB 3.12Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 3.28Å; D209-R213 IonicContact OD1-CZ 3.56Å; D209-R213 IonicContact OD1-NE 2.68Å; D209-R213 PolarHBondContact OD1-NE 2.55Å; D209-R213 IonicContact OD1-NH2 3.83Å; D209-R213 PolarHBondContact OD1-NH2 2.98Å; D209-R213 IonicContact OD2-CZ 3.7Å; D209-R213 IonicContact OD2-NE 3.19Å; D209-R213 IonicContact OD2-NH1 2.9Å; D209-R213 IonicContact OD2-NH2 3.05Å; D209-R213 PolarHBondContact OD2-NH2 3.47Å
214T93.2Very high93.5Very high37 Ų3759.1 Ų59.123%0.22730%0.299CS..Iπ-helixtrans-85.3-48.5-172.9-54.10000111.4I210 K216 L273I210-T214 CarbonylContact O-C 3.49Å; I210-T214 WeakPolarHBondContact O-CA 3.01Å; I210-T214 VanDerWaalsContact O-CB 3.25Å; I210-T214 WeakPolarHBondContact O-CB 3.21Å; I210-T214 PolarHBondContact O-N 3.14Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-L273 HydrophobicContact CG2-CB 3.69Å
215L93.7Very high93.6Very high33 Ų3358.4 Ų58.417%0.17330%0.295CS..SBendtrans-83.1-10.2178.4-56.8-177.4000113.4I210 C211 L217 L228 L273 S275I210-L215 HydrophobicContact CG2-CG 4.37Å; I210-L215 PolarHBondContact O-N 3.04Å; C211-L215 CarbonylContact O-C 3.46Å; C211-L215 WeakPolarHBondContact O-CB 3.48Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.46Å; L215-L217 HydrophobicContact CB-CG 4.05Å; L215-L217 PolarHBondContact O-N 2.96Å; L215-L228 HydrophobicContact CD1-CD1 4.33Å; L215-L228 HydrophobicContact CD1-CD2 4.26Å; L215-L273 HydrophobicContact CD2-CB 4.22Å; L215-L273 HydrophobicContact CD2-CD2 4.3Å; L215-S275 WeakPolarHBondContact O-CB 3.23Å
216K93.8Very high93.7Very high145 Ų14557.7 Ų57.763%0.6329%0.292SS*.  trans59.536.1178.4-56.8-178.8178178.30113.1C211 F212 T214C211-K216 PolarHBondContact O-N 2.88Å; F212-K216 VanDerWaalsContact O-CA 3.28Å; F212-K216 WeakPolarHBondContact O-CA 3.31Å; F212-K216 PolarHBondContact O-N 2.84Å; T214-K216 VanDerWaalsContact C-N 3.33Å
217L93.5Very high93.8Very high35 Ų3561.9 Ų61.918%0.18331%0.31CS..  trans-80.4125.5172.9-55.6-177.3000108.7C211 F212 L215 P220 D224C211-L217 HydrophobicContact CB-CD1 4.08Å; C211-L217 WeakPolarHBondContact O-CB 3.47Å; C211-L217 WeakPolarHBondContact O-CG 3.07Å; C211-L217 PolarHBondContact O-N 2.87Å; F212-L217 VanDerWaalsContact CD2-O 3.3Å; F212-L217 WeakPolarHBondContact CD2-O 3.1Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CD1 4.46Å; L215-L217 HydrophobicContact CB-CG 4.05Å; L215-L217 PolarHBondContact O-N 2.96Å; L217-P220 HydrophobicContact CB-CG 4.28Å; L217-D224 HydrophobicContact CD1-CB 3.85Å
218T91.5Very high93.7Very high115 Ų11562.2 Ų62.271%0.70631%0.312SS*.SBendtrans-71.2-37.4-176.751.10000112.7
219N91.4Very high93.9Very high130 Ų13058.1 Ų58.170%0.69530%0.296SS*.SBendtrans-13182.4176.6-66.4-27.2000108.9T221N219-T221 PolarHBondContact O-N 2.82Å
220P92.9Very high94Very high19 Ų1956 Ų5612%0.12329%0.285CS..  trans-54.5132.1174.1-25.234.8000111.5Y208 C211 F212 L217 L225Y208-P220 HydrophobicContact CD2-CB 4Å; Y208-P220 HydrophobicContact CD2-CG 4.18Å; Y208-P220 HydrophobicContact CE2-CB 3.95Å; Y208-P220 HydrophobicContact CE2-CG 3.88Å; C211-P220 HydrophobicContact CB-CB 3.64Å; C211-P220 HydrophobicContact CB-CG 3.73Å; F212-P220 HydrophobicContact CB-CG 3.98Å; L217-P220 HydrophobicContact CB-CG 4.28Å; P220-L225 HydrophobicContact CB-CD1 3.98Å
221T93Very high94Very high77 Ų7756.8 Ų56.847%0.47229%0.291SS..  trans-107.9159.4175.5690000110.6N219 G223 D224 L225N219-T221 PolarHBondContact O-N 2.82Å; T221-G223 PolarHBondContact O-N 3.28Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 2.95Å; T221-D224 WeakPolarHBondContact CB-OD2 3.32Å; T221-D224 PolarHBondContact N-OD2 3.13Å; T221-D224 WeakPolarHBondContact O-CA 3.49Å; T221-D224 WeakPolarHBondContact O-CB 3.12Å; T221-D224 PolarHBondContact O-N 2.84Å; T221-D224 PolarHBondContact OG1-N 2.91Å; T221-D224 PolarHBondContact OG1-OD2 2.67Å; T221-L225 WeakPolarHBondContact O-CD1 3.27Å; T221-L225 PolarHBondContact O-N 2.82Å; T221-L225 VanDerWaalsContact O-N 3.14Å
222Y91.5Very high94Very high115 Ų11556.9 Ų56.945%0.45129%0.291SS..Hα-helixtrans-55.1-28.1172.2-74.3-67.6000112.9D224 L225 N226Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 2.89Å; Y222-L225 HydrophobicContact CD1-CD2 4.23Å; Y222-L225 HydrophobicContact CE1-CD2 4.5Å; Y222-L225 PolarHBondContact O-N 3.26Å; Y222-N226 WeakPolarHBondContact O-CB 3.49Å; Y222-N226 PolarHBondContact O-N 2.88Å; Y222-N226 PolarHBondContact O-ND2 3.23Å; Y222-N226 PolarHBondContact O-OD1 3.47Å
223G93.7Very high94.1Very high45 Ų4552.2 Ų52.246%0.46427%0.271SS..Hα-helixtrans-62.3-38.7172.200000113.3T221 H227T221-G223 PolarHBondContact O-N 3.28Å; T221-G223 VanDerWaalsContact O-N 3.08Å; T221-G223 PolarHBondContact OG1-N 2.95Å; G223-H227 WeakPolarHBondContact O-CB 3.49Å; G223-H227 PolarHBondContact O-N 3.07Å; G223-H227 VanDerWaalsContact O-N 3.09Å
224D94.3Very high94.2Very high40 Ų4044.4 Ų44.421%0.21424%0.242CC..Hα-helixtrans-69.4-42.9175.8-57.2-66.6000111.3L217 T221 Y222 H227 L228L217-D224 HydrophobicContact CD1-CB 3.85Å; T221-D224 WeakPolarHBondContact CB-OD2 3.32Å; T221-D224 PolarHBondContact N-OD2 3.13Å; T221-D224 WeakPolarHBondContact O-CA 3.49Å; T221-D224 WeakPolarHBondContact O-CB 3.12Å; T221-D224 PolarHBondContact O-N 2.84Å; T221-D224 PolarHBondContact OG1-N 2.91Å; T221-D224 PolarHBondContact OG1-OD2 2.67Å; Y222-D224 VanDerWaalsContact C-N 3.34Å; Y222-D224 PolarHBondContact O-N 2.89Å; D224-H227 WeakPolarHBondContact O-CB 3.38Å; D224-H227 PolarHBondContact O-N 2.92Å; D224-L228 PolarHBondContact O-N 3.25Å
225L95Very high94.3Very high3 Ų342.7 Ų42.72%0.01623%0.231CC..Hα-helixtrans-62.7-50177.5-79.366.7000110.4L207 P220 T221 Y222 H227 L228 V229L207-L225 HydrophobicContact CB-CB 4.42Å; L207-L225 HydrophobicContact CB-CD2 4.13Å; L207-L225 HydrophobicContact CB-CG 3.89Å; L207-L225 HydrophobicContact CD1-CB 4.22Å; L207-L225 HydrophobicContact CD1-CG 4.47Å; P220-L225 HydrophobicContact CB-CD1 3.98Å; T221-L225 WeakPolarHBondContact O-CD1 3.27Å; T221-L225 PolarHBondContact O-N 2.82Å; T221-L225 VanDerWaalsContact O-N 3.14Å; Y222-L225 HydrophobicContact CD1-CD2 4.23Å; Y222-L225 HydrophobicContact CE1-CD2 4.5Å; Y222-L225 PolarHBondContact O-N 3.26Å; L225-H227 PolarHBondContact O-N 3.38Å; L225-L228 WeakPolarHBondContact O-CB 3.2Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-L228 VanDerWaalsContact O-N 3.08Å; L225-V229 WeakPolarHBondContact O-CG2 3.06Å; L225-V229 PolarHBondContact O-N 3.25Å; L225-V229 VanDerWaalsContact O-N 3.09Å
226N95.2Very high94.2Very high14 Ų1441.4 Ų41.48%0.07522%0.224CC..Hα-helixtrans-62-32.1179.2-66.2-12.1000111.9I16 Y222 V229 S230I16-N226 HydrophobicContact CG1-CB 4.25Å; I16-N226 VanDerWaalsContact CG1-OD1 3.25Å; I16-N226 WeakPolarHBondContact CG1-OD1 2.8Å; Y222-N226 WeakPolarHBondContact O-CB 3.49Å; Y222-N226 PolarHBondContact O-N 2.88Å; Y222-N226 PolarHBondContact O-ND2 3.23Å; Y222-N226 PolarHBondContact O-OD1 3.47Å; N226-V229 PolarHBondContact O-N 3.12Å; N226-S230 VanDerWaalsContact O-CB 3.31Å; N226-S230 WeakPolarHBondContact O-CB 3.26Å; N226-S230 PolarHBondContact O-N 3.14Å; N226-S230 PolarHBondContact O-OG 3.3Å
227H95.1Very high94.2Very high97 Ų9734.5 Ų34.545%0.44919%0.194SC..Hα-helixtrans-63-45173.7-178.252.4000111.9G223 D224 L225 V229 S230 A231G223-H227 WeakPolarHBondContact O-CB 3.49Å; G223-H227 PolarHBondContact O-N 3.07Å; G223-H227 VanDerWaalsContact O-N 3.09Å; D224-H227 WeakPolarHBondContact O-CB 3.38Å; D224-H227 PolarHBondContact O-N 2.92Å; L225-H227 PolarHBondContact O-N 3.38Å; H227-V229 PolarHBondContact O-N 2.75Å; H227-S230 WeakPolarHBondContact CA-OG 3.41Å; H227-S230 PolarHBondContact O-N 2.98Å; H227-S230 PolarHBondContact O-OG 3.23Å; H227-A231 PolarHBondContact O-N 3.18Å
228L95.2Very high94.1Very high9 Ų932.8 Ų32.85%0.04719%0.186CC..Hα-helixtrans-61.6-44.2175.7-72.5176.3000112.2L207 I210 C211 L215 D224 L225 A231 T232 L273 M300L207-L228 HydrophobicContact CD2-CB 4.16Å; L207-L228 HydrophobicContact CD2-CD1 4.4Å; I210-L228 HydrophobicContact CB-CD1 4.2Å; I210-L228 HydrophobicContact CG2-CD1 3.62Å; C211-L228 VanDerWaalsContact SG-CD1 3.56Å; L215-L228 HydrophobicContact CD1-CD1 4.33Å; L215-L228 HydrophobicContact CD1-CD2 4.26Å; D224-L228 PolarHBondContact O-N 3.25Å; L225-L228 WeakPolarHBondContact O-CB 3.2Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-L228 VanDerWaalsContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.03Å; L228-T232 PolarHBondContact O-N 3.24Å; L228-T232 VanDerWaalsContact O-N 3.13Å; L228-T232 PolarHBondContact O-OG1 3.11Å; L228-L273 HydrophobicContact CD2-CD2 3.56Å; L228-M300 HydrophobicContact CB-CE 3.88Å
229V97.1Very high93.9Very high1 Ų127.9 Ų27.91%0.00616%0.156CC..Hα-helixtrans-61.1-48.5177179.40000110.6I16 I202 L207 L225 N226 H227 A231 T232 M233I16-V229 HydrophobicContact CD1-CG1 4.24Å; I16-V229 HydrophobicContact CG2-CB 4.21Å; I16-V229 HydrophobicContact CG2-CG1 3.56Å; I202-V229 HydrophobicContact CD1-CG1 3.53Å; I202-V229 HydrophobicContact CD1-CG2 4.4Å; I202-V229 HydrophobicContact CG2-CG2 3.63Å; L207-V229 HydrophobicContact CD1-CG2 3.61Å; L207-V229 HydrophobicContact CD2-CG2 4.1Å; L225-V229 WeakPolarHBondContact O-CG2 3.06Å; L225-V229 PolarHBondContact O-N 3.25Å; L225-V229 VanDerWaalsContact O-N 3.09Å; N226-V229 PolarHBondContact O-N 3.12Å; H227-V229 PolarHBondContact O-N 2.75Å; V229-A231 VanDerWaalsContact C-N 3.33Å; V229-A231 PolarHBondContact O-N 3.3Å; V229-T232 WeakPolarHBondContact O-CB 3.43Å; V229-T232 PolarHBondContact O-N 3.27Å; V229-T232 VanDerWaalsContact O-N 3.12Å; V229-M233 HydrophobicContact CG1-CG 4.2Å; V229-M233 HydrophobicContact CG1-SD 3.85Å; V229-M233 WeakPolarHBondContact O-CG 3.48Å; V229-M233 PolarHBondContact O-N 3.15Å
230S96.4Very high93.8Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-60.9-39.3179.869.10000113.1K19 N226 H227 T232 M233 S234K19-S230 WeakPolarHBondContact CG-OG 3.04Å; N226-S230 VanDerWaalsContact O-CB 3.31Å; N226-S230 WeakPolarHBondContact O-CB 3.26Å; N226-S230 PolarHBondContact O-N 3.14Å; N226-S230 PolarHBondContact O-OG 3.3Å; H227-S230 WeakPolarHBondContact CA-OG 3.41Å; H227-S230 PolarHBondContact O-N 2.98Å; H227-S230 PolarHBondContact O-OG 3.23Å; S230-T232 VanDerWaalsContact C-N 3.3Å; S230-T232 PolarHBondContact O-N 2.7Å; S230-M233 PolarHBondContact O-N 2.93Å; S230-S234 WeakPolarHBondContact O-CB 3.41Å; S230-S234 PolarHBondContact O-N 3.3Å
231A94.7Very high93.7Very high15 Ų1521.4 Ų21.412%0.12412%0.12CC..Hα-helixtrans-64.1-38.5176.800000111.4H227 L228 V229 G235 F270H227-A231 PolarHBondContact O-N 3.18Å; L228-A231 PolarHBondContact O-N 3.03Å; V229-A231 VanDerWaalsContact C-N 3.33Å; V229-A231 PolarHBondContact O-N 3.3Å; A231-G235 PolarHBondContact O-N 2.77Å; A231-F270 HydrophobicContact CB-CD2 4.09Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CG 4.45Å; A231-F270 HydrophobicContact CB-CZ 4.22Å
232T95.6Very high93.5Very high2 Ų217.7 Ų17.71%0.01210%0.097CC..Hα-helixtrans-69-48.5176.4-590000111.7L228 V229 S230 S234 G235 V236 P268 M300 T366L228-T232 PolarHBondContact O-N 3.24Å; L228-T232 VanDerWaalsContact O-N 3.13Å; L228-T232 PolarHBondContact O-OG1 3.11Å; V229-T232 WeakPolarHBondContact O-CB 3.43Å; V229-T232 PolarHBondContact O-N 3.27Å; V229-T232 VanDerWaalsContact O-N 3.12Å; S230-T232 VanDerWaalsContact C-N 3.3Å; S230-T232 PolarHBondContact O-N 2.7Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.22Å; T232-G235 WeakPolarHBondContact O-CA 3.41Å; T232-G235 PolarHBondContact O-N 2.73Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 2.97Å; T232-P268 HydrophobicContact CG2-CB 3.63Å; T232-P268 HydrophobicContact CG2-CG 4.33Å; T232-M300 HydrophobicContact CG2-SD 4.21Å; T232-M300 WeakPolarHBondContact OG1-CE 3.47Å; T232-M300 PolarHBondContact OG1-SD 2.92Å; T232-T366 HydrophobicContact CG2-CG2 4.27Å
233M96.7Very high92.7Very high0 Ų013.8 Ų13.80%09%0.086CC..Hα-helixtrans-56.5-43.9175.3-69.6171.87100111.9I16 F20 T136 F167 V229 S230 G235 V236 T237I16-M233 HydrophobicContact CG2-SD 3.55Å; I16-M233 VanDerWaalsContact CG2-SD 3.55Å; F20-M233 HydrophobicContact CB-CE 4.15Å; F20-M233 HydrophobicContact CB-SD 4.32Å; F20-M233 HydrophobicContact CD1-CE 4.2Å; F20-M233 HydrophobicContact CD2-CB 3.55Å; F20-M233 HydrophobicContact CD2-CE 3.89Å; F20-M233 HydrophobicContact CD2-SD 4.23Å; F20-M233 HydrophobicContact CE2-CB 3.65Å; F20-M233 HydrophobicContact CE2-CE 4.27Å; F20-M233 HydrophobicContact CG-CE 3.82Å; F20-M233 HydrophobicContact CG-SD 4.39Å; T136-M233 HydrophobicContact CG2-CE 4.43Å; T136-M233 VanDerWaalsContact OG1-CE 3.24Å; T136-M233 WeakPolarHBondContact OG1-CE 3.5Å; F167-M233 HydrophobicContact CD1-CG 3.5Å; F167-M233 VanDerWaalsContact CD1-CG 3.5Å; F167-M233 HydrophobicContact CD2-CE 3.92Å; F167-M233 HydrophobicContact CD2-CG 3.95Å; F167-M233 HydrophobicContact CD2-SD 4.46Å; F167-M233 HydrophobicContact CE1-CB 4.19Å; F167-M233 HydrophobicContact CE1-CG 3.53Å; F167-M233 HydrophobicContact CE2-CB 4.46Å; F167-M233 HydrophobicContact CE2-CE 4.35Å; F167-M233 HydrophobicContact CE2-CG 4Å; F167-M233 HydrophobicContact CG-CE 4.25Å; F167-M233 HydrophobicContact CG-CG 3.7Å; F167-M233 HydrophobicContact CG-SD 4.23Å; F167-M233 HydrophobicContact CZ-CB 4.12Å; F167-M233 HydrophobicContact CZ-CG 3.78Å; V229-M233 HydrophobicContact CG1-CG 4.2Å; V229-M233 HydrophobicContact CG1-SD 3.85Å; V229-M233 WeakPolarHBondContact O-CG 3.48Å; V229-M233 PolarHBondContact O-N 3.15Å; S230-M233 PolarHBondContact O-N 2.93Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.13Å; M233-V236 PolarHBondContact O-N 3.02Å; M233-T237 PolarHBondContact O-N 3.49Å; M233-T237 PolarHBondContact O-OG1 2.82Å
234S95Very high91.4Very high1 Ų113.1 Ų13.11%0.0078%0.079CC..Hα-helixtrans-60.8-45175.1173.20000111.1E27 S230 T232 T237 T238 R241 R318E27-S234 PolarHBondContact OE1-OG 2.82Å; E27-S234 PolarHBondContact OE2-OG 3.16Å; S230-S234 WeakPolarHBondContact O-CB 3.41Å; S230-S234 PolarHBondContact O-N 3.3Å; T232-S234 VanDerWaalsContact C-N 3.29Å; T232-S234 PolarHBondContact O-N 3.22Å; S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.1Å; S234-T238 PolarHBondContact O-N 2.79Å; S234-T238 PolarHBondContact O-OG1 3.41Å; S234-R241 PolarHBondContact O-NH2 2.92Å; S234-R241 PolarHBondContact OG-NH2 2.96Å; S234-R318 PolarHBondContact OG-NH1 3.17Å
235G94.2Very high89.7Confident0 Ų018.6 Ų18.60%010%0.103CC..Hα-helixtrans-58.8-49.1176.400000114.3A231 T232 M233 T237 T238 T366A231-G235 PolarHBondContact O-N 2.77Å; T232-G235 WeakPolarHBondContact O-CA 3.41Å; T232-G235 PolarHBondContact O-N 2.73Å; M233-G235 VanDerWaalsContact C-N 3.33Å; M233-G235 PolarHBondContact O-N 3.13Å; G235-T237 PolarHBondContact O-N 3.09Å; G235-T238 WeakPolarHBondContact CA-OG1 3.47Å; G235-T238 WeakPolarHBondContact O-CB 3.39Å; G235-T238 PolarHBondContact O-N 3.39Å; G235-T238 PolarHBondContact O-OG1 3.19Å; G235-T366 VanDerWaalsContact CA-OG1 3.28Å; G235-T366 WeakPolarHBondContact CA-OG1 3.45Å
236V93.1Very high87.7Confident6 Ų621.2 Ų21.24%0.03612%0.117CC..Hα-helixtrans-55.6-39.9177.8171.10000111.2F167 F200 T232 M233 L253 T366 I368F167-V236 HydrophobicContact CE1-CG2 4.34Å; F167-V236 HydrophobicContact CZ-CB 4.22Å; F167-V236 HydrophobicContact CZ-CG1 4.22Å; F167-V236 HydrophobicContact CZ-CG2 4.34Å; F200-V236 HydrophobicContact CD1-CG2 4.22Å; F200-V236 HydrophobicContact CE1-CG1 3.95Å; F200-V236 HydrophobicContact CE1-CG2 3.7Å; F200-V236 HydrophobicContact CE2-CG1 4.04Å; F200-V236 HydrophobicContact CZ-CB 4.49Å; F200-V236 HydrophobicContact CZ-CG1 3.48Å; F200-V236 VanDerWaalsContact CZ-CG1 3.48Å; F200-V236 HydrophobicContact CZ-CG2 4.13Å; T232-V236 WeakPolarHBondContact O-CG2 3.39Å; T232-V236 PolarHBondContact O-N 2.97Å; M233-V236 PolarHBondContact O-N 3.02Å; V236-L253 HydrophobicContact CG1-CD2 4.33Å; V236-T366 HydrophobicContact CG2-CG2 3.99Å; V236-I368 HydrophobicContact CG1-CD1 4.26Å; V236-I368 HydrophobicContact CG2-CD1 4Å; V236-I368 HydrophobicContact CG2-CG1 4.22Å
237T92.3Very high85.8Confident0 Ų026.1 Ų26.10%014%0.143CC..THydrogen-bonded Turntrans-95.73.6-175.161.90000114.3Y50 M233 S234 G235 C239 L240 R241Y50-T237 HydrophobicContact CE2-CG2 4.36Å; Y50-T237 WeakPolarHBondContact OH-CG2 3.24Å; M233-T237 PolarHBondContact O-N 3.49Å; M233-T237 PolarHBondContact O-OG1 2.82Å; S234-T237 PolarHBondContact O-N 3.05Å; S234-T237 PolarHBondContact O-OG1 3.1Å; G235-T237 PolarHBondContact O-N 3.09Å; T237-C239 PolarHBondContact O-N 3.42Å; T237-L240 HydrophobicContact CG2-CD1 4.17Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.32Å; T237-L240 PolarHBondContact O-N 3.16Å; T237-R241 PolarHBondContact O-N 2.99Å; T237-R241 PolarHBondContact O-NE 3.41Å; T237-R241 PolarHBondContact OG1-NE 2.77Å
238T91.8Very high84.7Confident0 Ų022.5 Ų22.50%013%0.13CC..Hα-helixtrans-59.5-45.3-175.2-63.20000111.9S234 G235 L240 R241 F242 R318 C354S234-T238 PolarHBondContact O-N 2.79Å; S234-T238 PolarHBondContact O-OG1 3.41Å; G235-T238 WeakPolarHBondContact CA-OG1 3.47Å; G235-T238 WeakPolarHBondContact O-CB 3.39Å; G235-T238 PolarHBondContact O-N 3.39Å; G235-T238 PolarHBondContact O-OG1 3.19Å; T238-L240 PolarHBondContact O-N 2.9Å; T238-R241 PolarHBondContact O-N 2.87Å; T238-R241 VanDerWaalsContact O-N 3.16Å; T238-R241 PolarHBondContact OG1-NH2 2.97Å; T238-F242 HydrophobicContact CG2-CD2 3.91Å; T238-F242 PolarHBondContact O-N 2.89Å; T238-R318 HydrophobicContact CG2-CG 4.04Å; T238-R318 WeakPolarHBondContact OG1-CD 3.23Å; T238-R318 VanDerWaalsContact OG1-CZ 3.3Å; T238-R318 PolarHBondContact OG1-NE 3.13Å; T238-R318 PolarHBondContact OG1-NH1 3.13Å; T238-C354 HydrophobicContact CG2-CB 3.73Å
239C87.1Confident84.3Confident11 Ų1123.2 Ų23.27%0.07413%0.134CC..Hα-helixtrans-68-14.5180-610000113.7R46 T237 A248R46-C239 PolarHBondContact NH1-O 2.78Å; T237-C239 PolarHBondContact O-N 3.42Å; C239-A248 HydrophobicContact CB-CB 4.05Å
240L89.3Confident83.9Confident13 Ų1323.2 Ų23.27%0.06813%0.133CC..Hα-helixtrans-80.4-46173.7-45.8-175.2000109.4I4 R46 V49 T237 T238 A248 L250I4-L240 HydrophobicContact CD1-CD1 3.58Å; R46-L240 WeakPolarHBondContact CD-O 3.48Å; V49-L240 HydrophobicContact CG1-CB 4.1Å; V49-L240 WeakPolarHBondContact CG2-O 3.42Å; T237-L240 HydrophobicContact CG2-CD1 4.17Å; T237-L240 VanDerWaalsContact O-CB 3.29Å; T237-L240 WeakPolarHBondContact O-CB 3.32Å; T237-L240 PolarHBondContact O-N 3.16Å; T238-L240 PolarHBondContact O-N 2.9Å; L240-A248 HydrophobicContact CD2-CB 4.42Å; L240-A248 WeakPolarHBondContact CD2-O 3.16Å; L240-L250 HydrophobicContact CD1-CD2 4.08Å; L240-L250 HydrophobicContact CD1-CG 4.03Å
241R91.4Very high83.7Confident0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-87.4-16-170.8-65.5-179.4-63.7109.8-5.8115.7I24 E27 H28 R46 V49 Y50 S234 T237 T238I24-R241 VanDerWaalsContact CD1-CZ 3.43Å; E27-R241 IonicContact OE2-CZ 2.67Å; E27-R241 IonicContact OE2-NH1 3.86Å; E27-R241 PolarHBondContact OE2-NH1 2.89Å; E27-R241 IonicContact OE2-NH2 2.95Å; E27-R241 PolarHBondContact OE2-NH2 2.8Å; H28-R241 PolarHBondContact NE2-NH1 3.13Å; R46-R241 WeakPolarHBondContact CB-O 3.39Å; V49-R241 HydrophobicContact CB-CG 4.28Å; V49-R241 HydrophobicContact CG1-CG 4.05Å; Y50-R241 VanDerWaalsContact CD2-CD 3.4Å; Y50-R241 HydrophobicContact CD2-CG 3.72Å; Y50-R241 HydrophobicContact CE2-CG 3.9Å; S234-R241 PolarHBondContact O-NH2 2.92Å; S234-R241 PolarHBondContact OG-NH2 2.96Å; T237-R241 PolarHBondContact O-N 2.99Å; T237-R241 PolarHBondContact O-NE 3.41Å; T237-R241 PolarHBondContact OG1-NE 2.77Å; T238-R241 PolarHBondContact O-N 2.87Å; T238-R241 VanDerWaalsContact O-N 3.16Å; T238-R241 PolarHBondContact OG1-NH2 2.97Å
242F88.5Confident83.5Confident0 Ų031.8 Ų31.80%017%0.165CC..SBendtrans-128.5145.4178.6-66.4-66.6000111.3E27 L42 R46 T238 G244 I356E27-F242 HydrophobicContact CB-CE2 4.39Å; E27-F242 HydrophobicContact CB-CZ 4.05Å; L42-F242 WeakPolarHBondContact O-CD1 3.3Å; R46-F242 PolarHBondContact NH1-O 3.39Å; T238-F242 HydrophobicContact CG2-CD2 3.91Å; T238-F242 PolarHBondContact O-N 2.89Å; F242-G244 PolarHBondContact O-N 2.61Å; F242-I356 HydrophobicContact CB-CD1 4.07Å; F242-I356 HydrophobicContact CD1-CD1 3.2Å; F242-I356 HydrophobicContact CD1-CG1 4.5Å; F242-I356 HydrophobicContact CD2-CD1 4.4Å; F242-I356 HydrophobicContact CE1-CD1 3.6Å; F242-I356 HydrophobicContact CE1-CG2 4.34Å; F242-I356 HydrophobicContact CE2-CG2 4.25Å; F242-I356 HydrophobicContact CG-CD1 3.64Å; F242-I356 HydrophobicContact CZ-CD1 4.35Å; F242-I356 HydrophobicContact CZ-CG2 4.1Å
243P75.6Confident83.3Confident33 Ų3333 Ų3321%0.21417%0.171CC..  trans-59.3136.5171.628-36.3000110.6L42 E45L42-P243 HydrophobicContact CD2-CG 3.61Å; E45-P243 WeakPolarHBondContact OE2-CG 3.34Å
244G66.9Low83.1Confident30 Ų3033.5 Ų33.531%0.30918%0.175SC..  trans-171.5165.5-178.200000111F242 L246F242-G244 PolarHBondContact O-N 2.61Å; G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 2.81Å
245Q56.7Low83Confident155 Ų15538.7 Ų38.772%0.72421%0.207SC*.SBendtrans-62.8-31.5-172.1-70.2-170.5-5.200113.9N247 M323Q245-N247 PolarHBondContact O-N 2.82Å; Q245-M323 PolarHBondContact OE1-SD 2.82Å
246L54.9Low82.9Confident58 Ų5841.4 Ų41.430%0.30422%0.221SC..  trans-80.5103.8168.1-104.7103000108.6G244 A248 T351 A352G244-L246 VanDerWaalsContact C-N 3.28Å; G244-L246 PolarHBondContact O-N 2.81Å; L246-A248 HydrophobicContact CB-CB 4.08Å; L246-A248 HydrophobicContact CD2-CB 4Å; L246-A248 PolarHBondContact O-N 3.47Å; L246-T351 WeakPolarHBondContact CD1-O 3.44Å; L246-A352 HydrophobicContact CD1-CB 4.15Å
247N53.5Low83Confident118 Ų11841.1 Ų41.163%0.63122%0.22SC*.  trans-60.674148.4-74.4-26.6000107.4Q245 K252Q245-N247 PolarHBondContact O-N 2.82Å; N247-K252 VanDerWaalsContact O-CD 3.24Å; N247-K252 WeakPolarHBondContact O-CD 3.45Å; N247-K252 PolarHBondContact O-NZ 2.9Å; N247-K252 VanDerWaalsContact O-NZ 3.08Å
248A73.2Confident83.2Confident20 Ų2042.3 Ų42.317%0.16523%0.227CC..  trans-94.5132.8175.800000107.7C239 L240 L246C239-A248 HydrophobicContact CB-CB 4.05Å; L240-A248 HydrophobicContact CD2-CB 4.42Å; L240-A248 WeakPolarHBondContact CD2-O 3.16Å; L246-A248 HydrophobicContact CB-CB 4.08Å; L246-A248 HydrophobicContact CD2-CB 4Å; L246-A248 PolarHBondContact O-N 3.47Å
249D85.8Confident83.4Confident24 Ų2444.6 Ų44.613%0.12824%0.242CC..  trans-121.5168.916256.866.1000106.4R2 R251 K252 L253R2-D249 IonicContact CZ-OD2 3.46Å; R2-D249 IonicContact NE-OD2 3.23Å; R2-D249 IonicContact NH1-OD1 3.68Å; R2-D249 PolarHBondContact NH1-OD1 2.81Å; R2-D249 IonicContact NH1-OD2 3.42Å; R2-D249 PolarHBondContact NH1-OD2 3.36Å; R2-D249 IonicContact NH2-OD2 2.7Å; D249-R251 PolarHBondContact O-N 2.93Å; D249-R251 WeakPolarHBondContact OD1-CA 3.34Å; D249-R251 VanDerWaalsContact OD1-CB 3.29Å; D249-R251 WeakPolarHBondContact OD1-CB 3.32Å; D249-R251 PolarHBondContact OD1-N 3.1Å; D249-K252 PolarHBondContact O-N 2.89Å; D249-K252 VanDerWaalsContact O-N 3.16Å; D249-K252 PolarHBondContact OD1-N 3.12Å; D249-L253 PolarHBondContact O-N 2.85Å
250L89.2Confident83.8Confident1 Ų146.9 Ų46.91%0.00525%0.251CS..Hα-helixtrans-59.2-35.4-179.4-71.6168.6000111.4I4 Q131 I163 N165 E198 L240 K252 L253 A254I4-L250 HydrophobicContact CD1-CD1 3.81Å; I4-L250 HydrophobicContact CD1-CG 4.33Å; I4-L250 HydrophobicContact CG1-CD1 4.08Å; Q131-L250 HydrophobicContact CG-CD1 4.24Å; Q131-L250 VanDerWaalsContact NE2-CB 3.35Å; I163-L250 HydrophobicContact CB-CB 4.04Å; I163-L250 HydrophobicContact CG1-CB 4.15Å; I163-L250 HydrophobicContact CG2-CB 3.79Å; I163-L250 HydrophobicContact CG2-CD1 4.3Å; N165-L250 HydrophobicContact CB-CD1 4.42Å; N165-L250 HydrophobicContact CB-CD2 4.44Å; E198-L250 WeakPolarHBondContact OE2-CD2 3.42Å; L240-L250 HydrophobicContact CD1-CD2 4.08Å; L240-L250 HydrophobicContact CD1-CG 4.03Å; L250-K252 VanDerWaalsContact C-N 3.35Å; L250-K252 PolarHBondContact O-N 3.13Å; L250-L253 WeakPolarHBondContact O-CB 3.44Å; L250-L253 PolarHBondContact O-N 3.46Å; L250-A254 PolarHBondContact O-N 3.17Å
251R92.4Very high84.1Confident110 Ų11051.6 Ų51.642%0.41528%0.282SS..Hα-helixtrans-65.7-40.8178.7-177.3179.1-53.9-71.1-6.6111.6D161 I163 D249 L253 A254 V255D161-R251 PolarHBondContact O-NH2 2.83Å; I163-R251 HydrophobicContact CD1-CB 4.07Å; I163-R251 HydrophobicContact CD1-CG 4.35Å; I163-R251 HydrophobicContact CG1-CB 3.97Å; D249-R251 PolarHBondContact O-N 2.93Å; D249-R251 WeakPolarHBondContact OD1-CA 3.34Å; D249-R251 VanDerWaalsContact OD1-CB 3.29Å; D249-R251 WeakPolarHBondContact OD1-CB 3.32Å; D249-R251 PolarHBondContact OD1-N 3.1Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-A254 PolarHBondContact O-N 3.48Å; R251-V255 HydrophobicContact CG-CG2 4.43Å; R251-V255 WeakPolarHBondContact O-CB 3.23Å; R251-V255 VanDerWaalsContact O-CG2 3.28Å; R251-V255 WeakPolarHBondContact O-CG2 3.43Å; R251-V255 PolarHBondContact O-N 3.09Å
252K91Very high84.4Confident85 Ų8554.2 Ų54.237%0.3729%0.292SS..Hα-helixtrans-67.7-35176-173.5173.3175.3-178.20111.2N247 D249 L250 N256N247-K252 VanDerWaalsContact O-CD 3.24Å; N247-K252 WeakPolarHBondContact O-CD 3.45Å; N247-K252 PolarHBondContact O-NZ 2.9Å; N247-K252 VanDerWaalsContact O-NZ 3.08Å; D249-K252 PolarHBondContact O-N 2.89Å; D249-K252 VanDerWaalsContact O-N 3.16Å; D249-K252 PolarHBondContact OD1-N 3.12Å; L250-K252 VanDerWaalsContact C-N 3.35Å; L250-K252 PolarHBondContact O-N 3.13Å; K252-N256 WeakPolarHBondContact CG-ND2 3.32Å; K252-N256 WeakPolarHBondContact O-CB 3.27Å; K252-N256 PolarHBondContact O-N 2.76Å; K252-N256 VanDerWaalsContact O-N 3.16Å; K252-N256 PolarHBondContact O-ND2 3.15Å
253L90.6Very high84.8Confident27 Ų2754.2 Ų54.214%0.14129%0.292CS..Hα-helixtrans-61-53.8171.7-178.464.4000109.8E198 F200 V236 D249 L250 R251 V255 N256 M257 I368E198-L253 WeakPolarHBondContact OE1-CB 3.45Å; E198-L253 WeakPolarHBondContact OE1-CG 3.37Å; F200-L253 HydrophobicContact CZ-CD2 4.3Å; V236-L253 HydrophobicContact CG1-CD2 4.33Å; D249-L253 PolarHBondContact O-N 2.85Å; L250-L253 WeakPolarHBondContact O-CB 3.44Å; L250-L253 PolarHBondContact O-N 3.46Å; R251-L253 VanDerWaalsContact C-N 3.32Å; L253-V255 PolarHBondContact O-N 2.99Å; L253-N256 PolarHBondContact O-N 2.94Å; L253-N256 VanDerWaalsContact O-N 3.1Å; L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 VanDerWaalsContact O-CB 3.3Å; L253-M257 WeakPolarHBondContact O-CB 3.36Å; L253-M257 VanDerWaalsContact O-CG 3.27Å; L253-M257 WeakPolarHBondContact O-CG 3.28Å; L253-M257 PolarHBondContact O-N 2.65Å; L253-I368 HydrophobicContact CD1-CD1 4.26Å; L253-I368 HydrophobicContact CD2-CD1 4.36Å
254A93.1Very high85.9Confident11 Ų1152.7 Ų52.79%0.09128%0.282CS..Hα-helixtrans-53.1-51.7176.800000112.7I163 E198 L250 R251 N256 M257 V258I163-A254 HydrophobicContact CD1-CB 4.37Å; E198-A254 HydrophobicContact CG-CB 4.02Å; E198-A254 WeakPolarHBondContact OE1-CA 3.16Å; E198-A254 WeakPolarHBondContact OE1-CB 3.42Å; E198-A254 PolarHBondContact OE1-N 2.83Å; L250-A254 PolarHBondContact O-N 3.17Å; R251-A254 PolarHBondContact O-N 3.48Å; A254-N256 PolarHBondContact O-N 3.3Å; A254-M257 PolarHBondContact O-N 3.31Å; A254-M257 VanDerWaalsContact O-N 3.11Å; A254-V258 WeakPolarHBondContact O-CB 3.3Å; A254-V258 PolarHBondContact O-N 2.81Å
255V93.1Very high87.4Confident110 Ų11051.4 Ų51.467%0.66727%0.268SS*.Hα-helixtrans-60.2-33.6-180169.20000112.7R251 L253R251-V255 HydrophobicContact CG-CG2 4.43Å; R251-V255 WeakPolarHBondContact O-CB 3.23Å; R251-V255 VanDerWaalsContact O-CG2 3.28Å; R251-V255 WeakPolarHBondContact O-CG2 3.43Å; R251-V255 PolarHBondContact O-N 3.09Å; L253-V255 PolarHBondContact O-N 2.99Å
256N92.1Very high89.3Confident57 Ų5744 Ų4431%0.30523%0.233SC..Hα-helixtrans-82.9-25.3178.8-75.3-58.4000113.1K252 L253 A254 K350K252-N256 WeakPolarHBondContact CG-ND2 3.32Å; K252-N256 WeakPolarHBondContact O-CB 3.27Å; K252-N256 PolarHBondContact O-N 2.76Å; K252-N256 VanDerWaalsContact O-N 3.16Å; K252-N256 PolarHBondContact O-ND2 3.15Å; L253-N256 PolarHBondContact O-N 2.94Å; L253-N256 VanDerWaalsContact O-N 3.1Å; A254-N256 PolarHBondContact O-N 3.3Å; N256-K350 HydrophobicContact CB-CG 4.44Å
257M94.8Very high91.3Very high1 Ų141.2 Ų41.21%0.00522%0.219CC..Hα-helixtrans-105.1-24.1-170.3-66.1-58.3-64.300113.5L253 A254 P259 F266 T312 A314 I368 N370L253-M257 HydrophobicContact CD1-CG 3.67Å; L253-M257 HydrophobicContact CG-CG 4.26Å; L253-M257 VanDerWaalsContact O-CB 3.3Å; L253-M257 WeakPolarHBondContact O-CB 3.36Å; L253-M257 VanDerWaalsContact O-CG 3.27Å; L253-M257 WeakPolarHBondContact O-CG 3.28Å; L253-M257 PolarHBondContact O-N 2.65Å; A254-M257 PolarHBondContact O-N 3.31Å; A254-M257 VanDerWaalsContact O-N 3.11Å; M257-P259 VanDerWaalsContact O-CD 3.32Å; M257-P259 WeakPolarHBondContact O-CD 3.36Å; M257-F266 HydrophobicContact CB-CE1 3.69Å; M257-F266 HydrophobicContact CB-CZ 3.6Å; M257-T312 WeakPolarHBondContact CA-OG1 3.44Å; M257-T312 VanDerWaalsContact CE-OG1 3.32Å; M257-T312 WeakPolarHBondContact CE-OG1 3.41Å; M257-T312 PolarHBondContact O-OG1 2.7Å; M257-A314 HydrophobicContact CE-CB 4.03Å; M257-A314 HydrophobicContact SD-CB 3.63Å; M257-I368 HydrophobicContact CE-CB 4.2Å; M257-I368 HydrophobicContact CE-CG2 3.9Å; M257-I368 VanDerWaalsContact CE-O 3.29Å; M257-I368 WeakPolarHBondContact CE-O 3.34Å; M257-N370 PolarHBondContact O-ND2 3.14Å
258V96.4Very high93.4Very high25 Ų2535.6 Ų35.615%0.15219%0.189CC..  trans-11395-173.3-1750000109.4A254 F260 H264 F266A254-V258 WeakPolarHBondContact O-CB 3.3Å; A254-V258 PolarHBondContact O-N 2.81Å; V258-F260 VanDerWaalsContact C-N 3.32Å; V258-F260 WeakPolarHBondContact CG1-O 3.49Å; V258-H264 HydrophobicContact CG1-CB 3.97Å; V258-H264 HydrophobicContact CG2-CB 3.93Å; V258-F266 HydrophobicContact CG2-CE1 4Å; V258-F266 HydrophobicContact CG2-CZ 3.54Å
259P95.2Very high94.5Very high48 Ų4834.8 Ų34.831%0.31218%0.182SC..SBendtrans-70.9-29.5178.828.1-34.4000112.7M257 L311 I345M257-P259 VanDerWaalsContact O-CD 3.32Å; M257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-L311 HydrophobicContact CG-CB 4.22Å; P259-L311 HydrophobicContact CG-CD1 4.06Å; P259-I345 HydrophobicContact CB-CD1 3.78Å; P259-I345 HydrophobicContact CG-CD1 3.83Å
260F96.4Very high95Very high59 Ų5934.4 Ų34.426%0.25918%0.179SC..SBendtrans-132.9136.1-179.9-60.3-72.4000109.5V258 R262 L263 W344 Y425V258-F260 VanDerWaalsContact C-N 3.32Å; V258-F260 WeakPolarHBondContact CG1-O 3.49Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 2.95Å; F260-R262 VanDerWaalsContact O-N 3.08Å; F260-L263 HydrophobicContact CB-CB 4.47Å; F260-L263 HydrophobicContact CB-CD1 4.27Å; F260-L263 HydrophobicContact CB-CG 4.04Å; F260-L263 HydrophobicContact CD2-CD1 3.91Å; F260-L263 PolarHBondContact O-N 3.4Å; F260-W344 AromaticContact CE2-CH2 3.64Å; F260-W344 HydrophobicContact CE2-CH2 3.64Å; F260-W344 AromaticContact CE2-CZ3 3.74Å; F260-W344 HydrophobicContact CE2-CZ3 3.74Å; F260-W344 HydrophobicContact CZ-CH2 4.42Å; F260-W344 HydrophobicContact CZ-CZ3 4.13Å; F260-Y425 HydrophobicContact CD1-CE1 4.27Å; F260-Y425 AromaticContact CD1-CZ 3.86Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.48Å; F260-Y425 HydrophobicContact CD2-CD1 4.02Å; F260-Y425 HydrophobicContact CD2-CD2 4.13Å; F260-Y425 AromaticContact CD2-CE1 3.75Å; F260-Y425 HydrophobicContact CD2-CE1 3.75Å; F260-Y425 AromaticContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CG 4.21Å; F260-Y425 AromaticContact CD2-CZ 3.63Å; F260-Y425 AromaticContact CE1-CE1 3.76Å; F260-Y425 HydrophobicContact CE1-CE1 3.76Å; F260-Y425 AromaticContact CE1-CZ 3.79Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.33Å; F260-Y425 AromaticContact CE2-CD1 3.37Å; F260-Y425 HydrophobicContact CE2-CD1 3.37Å; F260-Y425 HydrophobicContact CE2-CD2 4.31Å; F260-Y425 AromaticContact CE2-CE1 3.15Å; F260-Y425 HydrophobicContact CE2-CE1 3.15Å; F260-Y425 HydrophobicContact CE2-CE2 4.12Å; F260-Y425 AromaticContact CE2-CG 3.97Å; F260-Y425 HydrophobicContact CE2-CG 3.97Å; F260-Y425 AromaticContact CE2-CZ 3.54Å; F260-Y425 HydrophobicContact CG-CE1 4.27Å; F260-Y425 HydrophobicContact CG-CE2 4.09Å; F260-Y425 AromaticContact CG-CZ 3.79Å; F260-Y425 AromaticContact CZ-CD1 3.81Å; F260-Y425 HydrophobicContact CZ-CD1 3.81Å; F260-Y425 AromaticContact CZ-CE1 3.16Å; F260-Y425 HydrophobicContact CZ-CE1 3.16Å; F260-Y425 AromaticContact CZ-CZ 3.64Å
261P95.1Very high95.3Very high112 Ų11234.4 Ų34.473%0.72718%0.179SC*.THydrogen-bonded Turntrans-50.9-40.3-171.7-30.835.8000114.6L263 H264P261-L263 VanDerWaalsContact C-N 3.33Å; P261-L263 PolarHBondContact O-N 2.53Å; P261-H264 PolarHBondContact O-CD2 3.38Å
262R97.3Very high95.5Very high54 Ų5429.8 Ų29.820%0.20416%0.164CC..THydrogen-bonded Turntrans-77.8-15.5-178.2-69.3172.359.198-5.9114.1V193 E194 F260 H264 N414 L418 E421V193-R262 HydrophobicContact CG1-CG 4.13Å; V193-R262 VanDerWaalsContact CG1-NH1 3.3Å; E194-R262 IonicContact OE1-NH1 2.84Å; E194-R262 PolarHBondContact OE1-NH1 2.97Å; F260-R262 VanDerWaalsContact C-N 3.26Å; F260-R262 PolarHBondContact O-N 2.95Å; F260-R262 VanDerWaalsContact O-N 3.08Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-H264 PolarHBondContact O-N 3.5Å; R262-N414 PolarHBondContact NH1-OD1 3.01Å; R262-N414 PolarHBondContact NH2-OD1 3.06Å; R262-L418 HydrophobicContact CB-CD1 4.23Å; R262-L418 WeakPolarHBondContact O-CD1 3.44Å; R262-E421 IonicContact CZ-OE1 2.83Å; R262-E421 VanDerWaalsContact CZ-OE1 3.3Å; R262-E421 IonicContact NE-OE1 3.43Å; R262-E421 PolarHBondContact NE-OE1 2.94Å; R262-E421 IonicContact NE-OE2 3.91Å; R262-E421 PolarHBondContact NE-OE2 3.44Å; R262-E421 IonicContact NH2-OE1 3.17Å; R262-E421 PolarHBondContact NH2-OE1 2.98Å
263L97.7Very high95.6Very high0 Ų026.2 Ų26.20%015%0.149CC..  trans-96.452.3-178.3-48.6-169.7000111.3F260 P261 L311 N370 L418 E421 Y422 Y425F260-L263 HydrophobicContact CB-CB 4.47Å; F260-L263 HydrophobicContact CB-CD1 4.27Å; F260-L263 HydrophobicContact CB-CG 4.04Å; F260-L263 HydrophobicContact CD2-CD1 3.91Å; F260-L263 PolarHBondContact O-N 3.4Å; P261-L263 VanDerWaalsContact C-N 3.33Å; P261-L263 PolarHBondContact O-N 2.53Å; L263-L311 HydrophobicContact CB-CD1 4.16Å; L263-L311 HydrophobicContact CD1-CD1 3.56Å; L263-N370 PolarHBondContact O-ND2 2.87Å; L263-L418 HydrophobicContact CD2-CD1 4.31Å; L263-E421 HydrophobicContact CD2-CB 4.29Å; L263-Y422 WeakPolarHBondContact CA-OH 3.43Å; L263-Y422 HydrophobicContact CB-CE1 3.8Å; L263-Y422 HydrophobicContact CD1-CD1 4.11Å; L263-Y422 HydrophobicContact CD1-CE1 4.12Å; L263-Y422 HydrophobicContact CD2-CD1 3.77Å; L263-Y422 HydrophobicContact CD2-CD2 3.87Å; L263-Y422 HydrophobicContact CD2-CE1 3.67Å; L263-Y422 HydrophobicContact CD2-CE2 3.73Å; L263-Y422 HydrophobicContact CD2-CG 3.89Å; L263-Y422 HydrophobicContact CG-CD1 4.35Å; L263-Y422 HydrophobicContact CG-CE1 4.04Å; L263-Y425 HydrophobicContact CD1-CD2 3.52Å; L263-Y425 HydrophobicContact CD1-CE2 4.04Å; L263-Y425 HydrophobicContact CD1-CG 4.17Å
264H97.8Very high95.5Very high2 Ų225.6 Ų25.61%0.00915%0.146CC..  trans-101.511.5-177.259.953.9000114.2L192 V193 T196 D197 T199 V258 P261 R262L192-H264 PolarHBondContact O-CE1 3.34Å; L192-H264 VanDerWaalsContact O-CE1 3.25Å; L192-H264 PolarHBondContact O-NE2 3.36Å; V193-H264 PolarHBondContact O-NE2 3.32Å; V193-H264 VanDerWaalsContact O-NE2 3.14Å; T196-H264 PolarHBondContact O-CD2 3.14Å; T196-H264 PolarHBondContact O-NE2 3.09Å; T196-H264 PolarHBondContact OG1-CE1 2.84Å; T196-H264 PolarHBondContact OG1-NE2 3.32Å; D197-H264 WeakPolarHBondContact O-CB 3.37Å; T199-H264 PolarHBondContact N-O 3.33Å; V258-H264 HydrophobicContact CG1-CB 3.97Å; V258-H264 HydrophobicContact CG2-CB 3.93Å; P261-H264 PolarHBondContact O-CD2 3.38Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-H264 PolarHBondContact O-N 3.5Å
265F98.4Very high95.2Very high2 Ų225.7 Ų25.71%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-89.6116.6-179.1-63.2-94.3000110.7V189 L192 V193 T199 I374 F378 L418V189-F265 HydrophobicContact CG1-CZ 4.39Å; L192-F265 HydrophobicContact CB-CE1 4.18Å; L192-F265 HydrophobicContact CB-CZ 4.19Å; V193-F265 HydrophobicContact CG2-CE2 3.82Å; V193-F265 HydrophobicContact CG2-CZ 3.71Å; T199-F265 HydrophobicContact CG2-CD1 3.48Å; T199-F265 VanDerWaalsContact CG2-CD1 3.48Å; T199-F265 HydrophobicContact CG2-CE1 3.68Å; T199-F265 CarbonylContact O-C 3.37Å; T199-F265 WeakPolarHBondContact O-CA 3.42Å; F265-I374 HydrophobicContact CB-CG1 4.11Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.25Å; F265-F378 AromaticContact CD1-CZ 3.64Å; F265-F378 HydrophobicContact CD1-CZ 3.64Å; F265-F378 HydrophobicContact CD2-CE2 4.4Å; F265-F378 AromaticContact CD2-CZ 3.97Å; F265-F378 HydrophobicContact CD2-CZ 3.97Å; F265-F378 HydrophobicContact CE1-CE1 4.28Å; F265-F378 AromaticContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE2-CZ 4.29Å; F265-F378 HydrophobicContact CG-CE2 4.32Å; F265-F378 AromaticContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CZ-CZ 4.29Å; F265-L418 HydrophobicContact CD2-CD2 4.3Å; F265-L418 HydrophobicContact CE2-CD1 4.34Å; F265-L418 HydrophobicContact CE2-CD2 3.8Å; F265-L418 HydrophobicContact CZ-CD2 4.31Å
266F97.9Very high94.7Very high0 Ų029.6 Ų29.60%015%0.148CC..EExtended strand (participates in β ladder)trans-102.1144.9-177-55.2-47.4000112.2E198 T199 F200 C201 M257 V258 P268 I368 N370E198-F266 HydrophobicContact CB-CD2 4.49Å; E198-F266 HydrophobicContact CB-CE2 3.8Å; E198-F266 HydrophobicContact CG-CE2 3.91Å; E198-F266 HydrophobicContact CG-CZ 4.49Å; T199-F266 PolarHBondContact O-N 3.2Å; F200-F266 HydrophobicContact CD1-CB 4.05Å; F200-F266 HydrophobicContact CD1-CD2 4.09Å; F200-F266 HydrophobicContact CD2-CD2 4.39Å; F200-F266 HydrophobicContact CE1-CB 4.3Å; F200-F266 AromaticContact CE1-CD2 3.78Å; F200-F266 HydrophobicContact CE1-CD2 3.78Å; F200-F266 HydrophobicContact CE1-CG 4.42Å; F200-F266 HydrophobicContact CE2-CD2 4.06Å; F200-F266 HydrophobicContact CE2-CE2 4.46Å; F200-F266 HydrophobicContact CG-CD2 4.39Å; F200-F266 AromaticContact CZ-CD2 3.75Å; F200-F266 HydrophobicContact CZ-CD2 3.75Å; F200-F266 HydrophobicContact CZ-CE2 4.2Å; C201-F266 WeakPolarHBondContact CB-O 3.29Å; C201-F266 PolarHBondContact N-O 3.48Å; M257-F266 HydrophobicContact CB-CE1 3.69Å; M257-F266 HydrophobicContact CB-CZ 3.6Å; V258-F266 HydrophobicContact CG2-CE1 4Å; V258-F266 HydrophobicContact CG2-CZ 3.54Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.37Å; F266-I368 HydrophobicContact CB-CG2 3.75Å; F266-I368 HydrophobicContact CD1-CG2 4.1Å; F266-I368 HydrophobicContact CD2-CG2 3.97Å; F266-I368 HydrophobicContact CG-CG2 3.68Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.94Å
267M96.8Very high94.1Very high0 Ų029.7 Ų29.70%016%0.163CC..EExtended strand (participates in β ladder)trans-97.1101.9166.2-58.1-177.7-49.700108.5A301 C303 P305 Y310 G369 I374M267-A301 HydrophobicContact CB-CB 4.16Å; M267-A301 HydrophobicContact CG-CB 3.9Å; M267-C303 HydrophobicContact SD-CB 3.76Å; M267-P305 HydrophobicContact CE-CB 4.45Å; M267-P305 HydrophobicContact CE-CG 4.04Å; M267-Y310 HydrophobicContact CE-CE1 3.92Å; M267-G369 PolarHBondContact N-O 3.42Å; M267-G369 PolarHBondContact O-N 2.99Å; M267-I374 HydrophobicContact CG-CD1 3.79Å
268P97.1Very high93.6Very high0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-83.4160.3178.733-30.7000111.6F200 C201 I202 T232 F266 M300 F367F200-P268 HydrophobicContact CB-CG 4.43Å; F200-P268 HydrophobicContact CD1-CB 4.18Å; C201-P268 WeakPolarHBondContact O-CD 3.37Å; I202-P268 HydrophobicContact CG1-CG 4.39Å; T232-P268 HydrophobicContact CG2-CB 3.63Å; T232-P268 HydrophobicContact CG2-CG 4.33Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.37Å; P268-M300 HydrophobicContact CG-CB 4.21Å; P268-M300 PolarHBondContact O-N 3.33Å; P268-F367 CarbonylContact C-O 3.47Å; P268-F367 VanDerWaalsContact CA-O 3.24Å; P268-F367 WeakPolarHBondContact CA-O 3.39Å
269G96Very high92.7Very high2 Ų235.4 Ų35.42%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-151163173.600000111.5T366 F367G269-T366 WeakPolarHBondContact O-CA 3.37Å; G269-F367 PolarHBondContact N-O 3.15Å; G269-F367 PolarHBondContact O-N 3.07Å
270F96.4Very high91.9Very high16 Ų1641.6 Ų41.67%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-136.7140.2177.4-178.3-91.4000109.7A231 L273 M300 L361A231-F270 HydrophobicContact CB-CD2 4.09Å; A231-F270 HydrophobicContact CB-CE2 3.97Å; A231-F270 HydrophobicContact CB-CG 4.45Å; A231-F270 HydrophobicContact CB-CZ 4.22Å; F270-L273 HydrophobicContact CD1-CD2 4.38Å; F270-L273 VanDerWaalsContact O-CD1 3.31Å; F270-L273 WeakPolarHBondContact O-CD1 3.35Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; F270-M300 HydrophobicContact CB-CE 3.93Å; F270-L361 HydrophobicContact CE1-CD1 4.27Å; F270-L361 HydrophobicContact CZ-CD1 3.82Å
271A96.3Very high91.1Very high1 Ų147.9 Ų47.91%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-139.7147.8168.200000109.8L289 Q292 S364 V365A271-L289 HydrophobicContact CB-CD2 4.12Å; A271-Q292 HydrophobicContact CB-CB 3.75Å; A271-S364 CarbonylContact O-C 3.51Å; A271-S364 WeakPolarHBondContact O-CA 3.35Å; A271-S364 VanDerWaalsContact O-CB 3.24Å; A271-S364 WeakPolarHBondContact O-CB 3.4Å; A271-V365 HydrophobicContact CB-CG1 3.78Å; A271-V365 PolarHBondContact N-O 3.14Å; A271-V365 PolarHBondContact O-N 2.79Å
272P95.2Very high90.3Very high14 Ų1448.6 Ų48.69%0.09123%0.229CC..  cis-82.8143.110.133.3-36000114L284 L289 L361P272-L284 HydrophobicContact CB-CD1 4.46Å; P272-L284 HydrophobicContact CB-CD2 3.51Å; P272-L284 HydrophobicContact CG-CD1 3.8Å; P272-L284 HydrophobicContact CG-CD2 3.81Å; P272-L284 HydrophobicContact CG-CG 4.47Å; P272-L289 HydrophobicContact CB-CD2 3.94Å; P272-L289 HydrophobicContact CG-CD2 4.3Å; P272-L361 HydrophobicContact CG-CD2 4.33Å
273L93.1Very high89.6Confident10 Ų1050.8 Ų50.85%0.05225%0.252CS..  trans-107.588.4167.4-66.8169.3000108.6I210 T214 L215 L228 F270 N298I210-L273 HydrophobicContact CD1-CD1 4.5Å; I210-L273 HydrophobicContact CG2-CD1 3.83Å; I210-L273 HydrophobicContact CG2-CD2 3.91Å; I210-L273 HydrophobicContact CG2-CG 4.4Å; T214-L273 HydrophobicContact CG2-CB 3.69Å; L215-L273 HydrophobicContact CD2-CB 4.22Å; L215-L273 HydrophobicContact CD2-CD2 4.3Å; L228-L273 HydrophobicContact CD2-CD2 3.56Å; F270-L273 HydrophobicContact CD1-CD2 4.38Å; F270-L273 VanDerWaalsContact O-CD1 3.31Å; F270-L273 WeakPolarHBondContact O-CD1 3.35Å; F270-L273 VanDerWaalsContact O-CG 3.25Å; F270-L273 WeakPolarHBondContact O-CG 3.44Å; L273-N298 HydrophobicContact CD1-CB 3.64Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.44Å
274T89.2Confident89.2Confident14 Ų1452.8 Ų52.89%0.08626%0.263CS..  trans-123125.2-177-580000110.7Q279T274-Q279 HydrophobicContact CG2-CG 3.91Å; T274-Q279 PolarHBondContact O-NE2 2.86Å
275S87.6Confident89Confident12 Ų1255.5 Ų55.58%0.08428%0.28CS..  trans-54.8144.7174.269.60000112.2L215 G277 S278 Q279L215-S275 WeakPolarHBondContact O-CB 3.23Å; S275-G277 VanDerWaalsContact C-N 3.26Å; S275-G277 PolarHBondContact O-N 3.48Å; S275-G277 VanDerWaalsContact O-N 3.15Å; S275-S278 PolarHBondContact O-N 3.26Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-OG 3.39Å; S275-Q279 PolarHBondContact O-N 3.47Å
276R81.8Confident88.9Confident192 Ų19255.5 Ų55.573%0.72528%0.28SS*.Hα-helixtrans-51.4-42.3-176.5-65.9-176.7-177.9179.43.1113.2S278 Q279R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 2.99Å; R276-Q279 PolarHBondContact O-N 3.05Å
277G80.4Confident88.8Confident60 Ų6057.7 Ų57.762%0.61929%0.294SS*.Hα-helixtrans-69.3-18.5179.300000114.7S275 Y281S275-G277 VanDerWaalsContact C-N 3.26Å; S275-G277 PolarHBondContact O-N 3.48Å; S275-G277 VanDerWaalsContact O-N 3.15Å; G277-Y281 WeakPolarHBondContact O-CD2 2.99Å; G277-Y281 WeakPolarHBondContact O-CE2 3.34Å
278S83.1Confident88.6Confident37 Ų3759.4 Ų59.426%0.25930%0.302SS..Hα-helixtrans-99-15.9179.7-56.40000113.4S275 R276 Q280 Y281 R282S275-S278 PolarHBondContact O-N 3.26Å; S275-S278 WeakPolarHBondContact OG-CB 3.26Å; S275-S278 PolarHBondContact OG-OG 3.39Å; R276-S278 VanDerWaalsContact C-N 3.26Å; R276-S278 PolarHBondContact O-N 2.99Å; S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 2.81Å; S278-Y281 PolarHBondContact O-N 3.29Å; S278-Y281 VanDerWaalsContact O-N 3.08Å; S278-R282 PolarHBondContact O-N 3.49Å
279Q79Confident88.6Confident109 Ų10959.4 Ų59.451%0.50930%0.302SS..Hα-helixtrans-58.3-38.4-174.5-76.2179.4-10.400113.1T274 S275 R276 Y281T274-Q279 HydrophobicContact CG2-CG 3.91Å; T274-Q279 PolarHBondContact O-NE2 2.86Å; S275-Q279 PolarHBondContact O-N 3.47Å; R276-Q279 PolarHBondContact O-N 3.05Å; Q279-Y281 PolarHBondContact O-N 3.2Å
280Q78Confident88.6Confident177 Ų17759.4 Ų59.483%0.82730%0.302SS*.THydrogen-bonded Turntrans-71-18.1-179.5-64.7-179.31.500113.8S278S278-Q280 VanDerWaalsContact C-N 3.3Å; S278-Q280 PolarHBondContact O-N 2.81Å
281Y78.9Confident88.5Confident191 Ų19165.2 Ų65.275%0.74933%0.329SS*.THydrogen-bonded Turntrans-103-3.8-174.5-57.4-77.4000113.3G277 S278 Q279G277-Y281 WeakPolarHBondContact O-CD2 2.99Å; G277-Y281 WeakPolarHBondContact O-CE2 3.34Å; S278-Y281 PolarHBondContact O-N 3.29Å; S278-Y281 VanDerWaalsContact O-N 3.08Å; Q279-Y281 PolarHBondContact O-N 3.2Å
282R77.7Confident88.4Confident128 Ų12866 Ų6648%0.48333%0.332SS..  trans-107.8132.5-179-74.9-157.7178.9-174.86.1111.9S278 E288S278-R282 PolarHBondContact O-N 3.49Å; R282-E288 WeakPolarHBondContact CD-OE1 3.35Å; R282-E288 IonicContact CZ-OE1 3.98Å; R282-E288 IonicContact NE-OE1 3.67Å; R282-E288 IonicContact NH1-OE1 3.42Å; R282-E288 PolarHBondContact NH1-OE1 3.38Å
283S82.6Confident88.3Confident99 Ų9965.6 Ų65.669%0.69233%0.329SS*.  trans-94.9109.9164.4-175.60000108.5
284L89.8Confident88.3Confident43 Ų4366.7 Ų66.723%0.22533%0.334CS..  trans-65.9134.5176.4-64171.3000110.4P272 M363P272-L284 HydrophobicContact CB-CD1 4.46Å; P272-L284 HydrophobicContact CB-CD2 3.51Å; P272-L284 HydrophobicContact CG-CD1 3.8Å; P272-L284 HydrophobicContact CG-CD2 3.81Å; P272-L284 HydrophobicContact CG-CG 4.47Å; L284-M363 HydrophobicContact CB-CG 3.82Å; L284-M363 HydrophobicContact CB-SD 3.96Å; L284-M363 HydrophobicContact CD1-CG 4.36Å
285T94Very high88.5Confident59 Ų5969.1 Ų69.136%0.36235%0.346SS..  trans-138.1160.1178.462.50000110.3E288 L289T285-E288 PolarHBondContact O-N 3.45Å; T285-E288 WeakPolarHBondContact OG1-CB 3.27Å; T285-E288 PolarHBondContact OG1-N 3.27Å; T285-L289 WeakPolarHBondContact O-CG 3.15Å; T285-L289 PolarHBondContact O-N 2.93Å
286V95.8Very high88.7Confident2 Ų269.9 Ų69.91%0.01235%0.353CS..Hα-helixtrans-57.5-47.3177177.30000111.7E288 L289 T290 F317 M321 E325 V326 Q329 M363V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.8Å; V286-L289 PolarHBondContact O-N 3.21Å; V286-T290 WeakPolarHBondContact O-CB 3.42Å; V286-T290 PolarHBondContact O-N 2.84Å; V286-T290 PolarHBondContact O-OG1 3.32Å; V286-F317 HydrophobicContact CG1-CE1 4.1Å; V286-F317 HydrophobicContact CG1-CZ 4.48Å; V286-M321 HydrophobicContact CG2-CB 4.03Å; V286-M321 HydrophobicContact CG2-CG 4.37Å; V286-M321 HydrophobicContact CG2-SD 3.88Å; V286-E325 HydrophobicContact CB-CG 4.04Å; V286-E325 HydrophobicContact CG1-CG 4.3Å; V286-E325 HydrophobicContact CG2-CG 4.33Å; V286-V326 HydrophobicContact CG1-CB 4.4Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; V286-Q329 HydrophobicContact CG1-CB 4.19Å; V286-Q329 HydrophobicContact CG1-CG 4.03Å; V286-M363 HydrophobicContact CG2-CE 3.72Å
287P95.4Very high89.2Confident46 Ų4667.9 Ų67.930%0.29935%0.349SS..Hα-helixtrans-58.6-39.3176.6-22.832.2000113.7Q291 Q329P287-Q291 WeakPolarHBondContact O-CB 3.38Å; P287-Q291 PolarHBondContact O-N 3.17Å; P287-Q329 HydrophobicContact CB-CG 4.29Å; P287-Q329 HydrophobicContact CG-CG 3.88Å
288E93.9Very high89.8Confident35 Ų3565.4 Ų65.416%0.16432%0.322CS..Hα-helixtrans-65.7-44.4178-174.1-175.8179.800111.6R282 T285 V286 Q291 Q292R282-E288 WeakPolarHBondContact CD-OE1 3.35Å; R282-E288 IonicContact CZ-OE1 3.98Å; R282-E288 IonicContact NE-OE1 3.67Å; R282-E288 IonicContact NH1-OE1 3.42Å; R282-E288 PolarHBondContact NH1-OE1 3.38Å; T285-E288 PolarHBondContact O-N 3.45Å; T285-E288 WeakPolarHBondContact OG1-CB 3.27Å; T285-E288 PolarHBondContact OG1-N 3.27Å; V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.8Å; E288-Q291 PolarHBondContact O-N 3.45Å; E288-Q292 WeakPolarHBondContact O-CG 3.19Å; E288-Q292 PolarHBondContact O-N 3.41Å; E288-Q292 PolarHBondContact OE1-NE2 3.09Å
289L96.3Very high90.3Very high0 Ų063.7 Ų63.70%031%0.31CS..Hα-helixtrans-61.7-47.1176.2-71.5-170.4000111.4A271 P272 T285 V286 Q291 Q292 M293 F317 M363 V365A271-L289 HydrophobicContact CB-CD2 4.12Å; P272-L289 HydrophobicContact CB-CD2 3.94Å; P272-L289 HydrophobicContact CG-CD2 4.3Å; T285-L289 WeakPolarHBondContact O-CG 3.15Å; T285-L289 PolarHBondContact O-N 2.93Å; V286-L289 PolarHBondContact O-N 3.21Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 3.28Å; L289-Q292 PolarHBondContact O-N 2.85Å; L289-M293 WeakPolarHBondContact O-CB 3.48Å; L289-M293 PolarHBondContact O-N 2.93Å; L289-F317 HydrophobicContact CB-CE1 4.17Å; L289-F317 HydrophobicContact CD1-CD1 4.33Å; L289-F317 HydrophobicContact CD1-CE1 4.41Å; L289-M363 HydrophobicContact CD1-CB 4.28Å; L289-M363 HydrophobicContact CD1-CE 3.63Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.35Å; L289-V365 HydrophobicContact CB-CB 4.48Å; L289-V365 HydrophobicContact CB-CG1 3.8Å; L289-V365 HydrophobicContact CD1-CB 4.4Å; L289-V365 HydrophobicContact CD1-CG1 4.39Å; L289-V365 HydrophobicContact CG-CG1 4.48Å
290T95.9Very high91.1Very high3 Ų358.5 Ų58.52%0.01829%0.286CS..Hα-helixtrans-60.5-39.8178-580000111.5V286 M293 F294 Q329 M330 V333V286-T290 WeakPolarHBondContact O-CB 3.42Å; V286-T290 PolarHBondContact O-N 2.84Å; V286-T290 PolarHBondContact O-OG1 3.32Å; T290-M293 HydrophobicContact CG2-CE 4.41Å; T290-M293 PolarHBondContact O-N 3.31Å; T290-F294 PolarHBondContact O-N 3.48Å; T290-Q329 HydrophobicContact CG2-CB 4.36Å; T290-M330 HydrophobicContact CG2-SD 3.87Å; T290-V333 HydrophobicContact CG2-CB 3.9Å; T290-V333 HydrophobicContact CG2-CG1 3.64Å; T290-V333 HydrophobicContact CG2-CG2 4.35Å
291Q94.1Very high91.8Very high137 Ų13750.1 Ų50.164%0.6425%0.247SC*.Hα-helixtrans-66.2-44.1176.3-174.717811.900112.2P287 E288 L289 M293 F294 D295P287-Q291 WeakPolarHBondContact O-CB 3.38Å; P287-Q291 PolarHBondContact O-N 3.17Å; E288-Q291 PolarHBondContact O-N 3.45Å; L289-Q291 VanDerWaalsContact C-N 3.3Å; L289-Q291 PolarHBondContact O-N 3.28Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 2.91Å; Q291-F294 PolarHBondContact O-N 3.46Å; Q291-D295 PolarHBondContact O-N 3.27Å
292Q94.5Very high92.4Very high18 Ų1842.7 Ų42.78%0.08423%0.225CC..Hα-helixtrans-63.9-37.8178.4-75.2-175.838.600111.9A271 E288 L289 F294 D295 N298A271-Q292 HydrophobicContact CB-CB 3.75Å; E288-Q292 WeakPolarHBondContact O-CG 3.19Å; E288-Q292 PolarHBondContact O-N 3.41Å; E288-Q292 PolarHBondContact OE1-NE2 3.09Å; L289-Q292 PolarHBondContact O-N 2.85Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 2.84Å; Q292-D295 PolarHBondContact O-N 3.25Å; Q292-N298 WeakPolarHBondContact O-CB 3.35Å; Q292-N298 PolarHBondContact O-ND2 3.15Å
293M93.5Very high93.1Very high6 Ų636.9 Ų36.93%0.0320%0.204CC..Hα-helixtrans-60.2-35.1179.4165.2161.584.300113.6L289 T290 Q291 M299 A315 F317 M330 V365 F367L289-M293 WeakPolarHBondContact O-CB 3.48Å; L289-M293 PolarHBondContact O-N 2.93Å; T290-M293 HydrophobicContact CG2-CE 4.41Å; T290-M293 PolarHBondContact O-N 3.31Å; Q291-M293 VanDerWaalsContact C-N 3.29Å; Q291-M293 PolarHBondContact O-N 2.91Å; M293-M299 WeakPolarHBondContact O-CE 3.26Å; M293-A315 HydrophobicContact CE-CB 3.48Å; M293-A315 VanDerWaalsContact CE-CB 3.48Å; M293-A315 HydrophobicContact SD-CB 3.61Å; M293-F317 HydrophobicContact CE-CZ 4.49Å; M293-M330 HydrophobicContact CE-CE 3.79Å; M293-M330 HydrophobicContact CE-SD 3.34Å; M293-M330 WeakPolarHBondContact CE-SD 3.37Å; M293-V365 HydrophobicContact CB-CG1 4.24Å; M293-V365 HydrophobicContact CE-CG2 4.45Å; M293-V365 HydrophobicContact SD-CG1 4.32Å; M293-V365 HydrophobicContact SD-CG2 3.66Å; M293-F367 HydrophobicContact CE-CD2 4.46Å; M293-F367 HydrophobicContact CG-CB 3.59Å; M293-F367 HydrophobicContact CG-CD2 3.21Å; M293-F367 HydrophobicContact CG-CE2 4.03Å; M293-F367 HydrophobicContact CG-CG 3.6Å; M293-F367 HydrophobicContact SD-CB 3.78Å; M293-F367 HydrophobicContact SD-CD2 3.49Å; M293-F367 WeakPolarHBondContact SD-CD2 3.39Å; M293-F367 HydrophobicContact SD-CG 4.07Å
294F92.5Very high93.6Very high33 Ų3333.3 Ų33.315%0.14518%0.177CC..THydrogen-bonded Turntrans-956.1178.3-79.1-87.5000113.7T290 Q291 Q292 Y310 V313 M330 V333 F341 F367T290-F294 PolarHBondContact O-N 3.48Å; Q291-F294 PolarHBondContact O-N 3.46Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 2.84Å; F294-Y310 HydrophobicContact CD1-CE2 4.17Å; F294-Y310 HydrophobicContact CE1-CE2 4.1Å; F294-V313 HydrophobicContact CE1-CG2 4.5Å; F294-V313 HydrophobicContact CZ-CG1 4.09Å; F294-M330 HydrophobicContact CE2-CE 4.19Å; F294-M330 HydrophobicContact CE2-SD 4.47Å; F294-M330 HydrophobicContact CZ-CE 4.48Å; F294-V333 HydrophobicContact CB-CG2 4.18Å; F294-V333 HydrophobicContact CD2-CB 4.31Å; F294-V333 HydrophobicContact CD2-CG1 3.81Å; F294-V333 HydrophobicContact CD2-CG2 3.51Å; F294-V333 HydrophobicContact CE2-CB 4.32Å; F294-V333 HydrophobicContact CE2-CG1 3.36Å; F294-V333 HydrophobicContact CE2-CG2 3.94Å; F294-V333 HydrophobicContact CG-CG2 3.82Å; F294-V333 HydrophobicContact CZ-CG1 3.97Å; F294-F341 HydrophobicContact CE1-CE2 4.27Å; F294-F341 AromaticContact CE1-CZ 3.8Å; F294-F341 HydrophobicContact CE1-CZ 3.8Å; F294-F341 HydrophobicContact CZ-CZ 4.1Å; F294-F367 HydrophobicContact CE1-CE2 4.21Å; F294-F367 HydrophobicContact CZ-CE2 4.22Å
295D93Very high93.7Very high65 Ų6531.5 Ų31.535%0.34817%0.168SC..  trans-80.5119.6171.6-168.7-21.9000109.3Q291 Q292 K297 N298Q291-D295 PolarHBondContact O-N 3.27Å; Q292-D295 PolarHBondContact O-N 3.25Å; D295-K297 PolarHBondContact O-N 3.48Å; D295-K297 WeakPolarHBondContact OD1-CB 3.32Å; D295-K297 WeakPolarHBondContact OD1-CG 3.38Å; D295-K297 PolarHBondContact OD1-N 3.03Å; D295-N298 WeakPolarHBondContact O-CB 3.5Å; D295-N298 PolarHBondContact O-N 3.14Å
296A92Very high93.6Very high27 Ų2735.9 Ų35.922%0.22318%0.178CC..G310 helixtrans-52.3-29.7177.900000112.7N298 M299A296-N298 PolarHBondContact O-N 3.29Å; A296-M299 PolarHBondContact O-N 3.17Å
297K92.7Very high93.5Very high150 Ų15041 Ų4165%0.65220%0.201SC*.G310 helixtrans-70-13.6178.8-62.5173.4-174.8170.90114.3I210 D295I210-K297 VanDerWaalsContact CG1-O 3.26Å; I210-K297 WeakPolarHBondContact CG1-O 3.44Å; D295-K297 PolarHBondContact O-N 3.48Å; D295-K297 WeakPolarHBondContact OD1-CB 3.32Å; D295-K297 WeakPolarHBondContact OD1-CG 3.38Å; D295-K297 PolarHBondContact OD1-N 3.03Å
298N92.7Very high93.5Very high8 Ų839 Ų394%0.04319%0.189CC..G310 helixtrans-105.1-2.7-178.5-65.9-19.4000112.4L273 Q292 D295 A296L273-N298 HydrophobicContact CD1-CB 3.64Å; L273-N298 WeakPolarHBondContact CD1-OD1 3.44Å; Q292-N298 WeakPolarHBondContact O-CB 3.35Å; Q292-N298 PolarHBondContact O-ND2 3.15Å; D295-N298 WeakPolarHBondContact O-CB 3.5Å; D295-N298 PolarHBondContact O-N 3.14Å; A296-N298 PolarHBondContact O-N 3.29Å
299M94.5Very high93.6Very high2 Ų241.9 Ų41.91%0.0120%0.198CC..BIsolated β-bridgetrans-75.2141.5173.4-57.6-61.6178.700109.6M293 A296 A301 P305 Y310 F367M293-M299 WeakPolarHBondContact O-CE 3.26Å; A296-M299 PolarHBondContact O-N 3.17Å; M299-A301 VanDerWaalsContact C-N 3.27Å; M299-A301 PolarHBondContact O-N 2.96Å; M299-P305 HydrophobicContact CE-CG 4.4Å; M299-Y310 WeakPolarHBondContact CE-OH 3.24Å; M299-F367 HydrophobicContact CE-CD1 3.74Å; M299-F367 HydrophobicContact CE-CE1 3.35Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.38Å; M299-F367 WeakPolarHBondContact SD-CD1 3.45Å; M299-F367 HydrophobicContact SD-CE1 3.38Å; M299-F367 WeakPolarHBondContact SD-CE1 3.39Å; M299-F367 HydrophobicContact SD-CG 4.43Å; M299-F367 HydrophobicContact SD-CZ 4.4Å
300M95.4Very high93.7Very high0 Ų042 Ų420%020%0.199CC..SBendtrans-87.64.7178.2-59.2-170.7177.700113I202 D203 L207 I210 L228 T232 P268 F270I202-M300 CarbonylContact C-O 3.47Å; D203-M300 WeakPolarHBondContact CB-O 3.05Å; D203-M300 PolarHBondContact N-O 3.46Å; L207-M300 HydrophobicContact CD2-CB 4.16Å; L207-M300 HydrophobicContact CD2-CE 4.43Å; L207-M300 HydrophobicContact CD2-CG 3.9Å; L207-M300 HydrophobicContact CD2-SD 3.81Å; I210-M300 HydrophobicContact CD1-CG 4.25Å; L228-M300 HydrophobicContact CB-CE 3.88Å; T232-M300 HydrophobicContact CG2-SD 4.21Å; T232-M300 WeakPolarHBondContact OG1-CE 3.47Å; T232-M300 PolarHBondContact OG1-SD 2.92Å; P268-M300 HydrophobicContact CG-CB 4.21Å; P268-M300 PolarHBondContact O-N 3.33Å; F270-M300 HydrophobicContact CB-CE 3.93Å
301A93.5Very high93.7Very high1 Ų141.9 Ų41.91%0.00820%0.198CC..SBendtrans-113132.7167.900000108.2M267 M299 C303 I374 L377M267-A301 HydrophobicContact CB-CB 4.16Å; M267-A301 HydrophobicContact CG-CB 3.9Å; M299-A301 VanDerWaalsContact C-N 3.27Å; M299-A301 PolarHBondContact O-N 2.96Å; A301-C303 PolarHBondContact O-N 3.32Å; A301-I374 HydrophobicContact CB-CD1 4.31Å; A301-L377 HydrophobicContact CB-CD1 4.43Å
302A91.6Very high93.8Very high34 Ų3435.6 Ų35.628%0.28117%0.169SC..SBendtrans-79.965.9-179.700000110.6D203 E205 A206D203-A302 HydrophobicContact CB-CB 4.48Å; D203-A302 WeakPolarHBondContact OD2-CB 3.22Å; D203-A302 PolarHBondContact OD2-N 2.65Å; E205-A302 HydrophobicContact CB-CB 4.44Å; A206-A302 HydrophobicContact CB-CB 4.15Å
303C91.5Very high93.9Very high7 Ų734.7 Ų34.75%0.04717%0.165CC..  trans-127.8141.9174.5-56.70000107.7M267 A301 P305 A373 E376M267-C303 HydrophobicContact SD-CB 3.76Å; A301-C303 PolarHBondContact O-N 3.32Å; C303-P305 WeakPolarHBondContact O-CD 3.47Å; C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.49Å; C303-E376 WeakPolarHBondContact CA-OE2 3.44Å; C303-E376 HydrophobicContact CB-CB 4.47Å
304D92.5Very high94Very high23 Ų2334.8 Ų34.812%0.12317%0.166CC..  trans-92.9111.7173.3-166.4-25.8000110.2R306 H307 A373 E376D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 3.12Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.3Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.45Å; D304-R306 IonicContact OD1-CZ 3.63Å; D304-R306 PolarHBondContact OD1-N 2.92Å; D304-R306 IonicContact OD1-NE 2.84Å; D304-R306 PolarHBondContact OD1-NE 3.22Å; D304-R306 IonicContact OD1-NH2 3.49Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 IonicContact OD2-NE 3.39Å; D304-R306 PolarHBondContact OD2-NE 3.29Å; D304-R306 IonicContact OD2-NH2 3.39Å; D304-R306 PolarHBondContact OD2-NH2 3.48Å; D304-H307 PolarHBondContact O-N 2.84Å; D304-H307 IonicContact OD2-CE1 3.13Å; D304-H307 IonicContact OD2-NE2 3.79Å; D304-A373 WeakPolarHBondContact O-CB 3.32Å; D304-E376 PolarHBondContact N-OE2 3.08Å
305P91.8Very high94.1Very high6 Ų633.2 Ų33.24%0.03916%0.16CC..G310 helixtrans-59.2-18.6-179.9-22.433.8000113.9M267 M299 C303 H307 G308 Y310M267-P305 HydrophobicContact CE-CB 4.45Å; M267-P305 HydrophobicContact CE-CG 4.04Å; M299-P305 HydrophobicContact CE-CG 4.4Å; C303-P305 WeakPolarHBondContact O-CD 3.47Å; P305-H307 PolarHBondContact O-N 3.36Å; P305-G308 CarbonylContact O-C 3.12Å; P305-G308 PolarHBondContact O-N 3.41Å; P305-G308 VanDerWaalsContact O-O 3.12Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.8Å; P305-Y310 VanDerWaalsContact CB-CZ 3.48Å; P305-Y310 WeakPolarHBondContact CB-OH 3.02Å; P305-Y310 WeakPolarHBondContact CG-OH 3.49Å
306R91.8Very high94.2Very high151 Ų15130.6 Ų30.657%0.5715%0.146SC*.G310 helixtrans-71.4-19.2176.2-58.7174.1-70.7177.4-0.5113D304 G308 Y340D304-R306 VanDerWaalsContact CG-NE 3.33Å; D304-R306 PolarHBondContact O-N 3.12Å; D304-R306 VanDerWaalsContact OD1-CB 3.24Å; D304-R306 WeakPolarHBondContact OD1-CB 3.3Å; D304-R306 VanDerWaalsContact OD1-CG 3.27Å; D304-R306 WeakPolarHBondContact OD1-CG 3.45Å; D304-R306 IonicContact OD1-CZ 3.63Å; D304-R306 PolarHBondContact OD1-N 2.92Å; D304-R306 IonicContact OD1-NE 2.84Å; D304-R306 PolarHBondContact OD1-NE 3.22Å; D304-R306 IonicContact OD1-NH2 3.49Å; D304-R306 IonicContact OD2-CZ 3.85Å; D304-R306 IonicContact OD2-NE 3.39Å; D304-R306 PolarHBondContact OD2-NE 3.29Å; D304-R306 IonicContact OD2-NH2 3.39Å; D304-R306 PolarHBondContact OD2-NH2 3.48Å; R306-G308 VanDerWaalsContact C-N 3.29Å; R306-Y340 HydrophobicContact CB-CE1 4.14Å; R306-Y340 HydrophobicContact CG-CE1 4.26Å; R306-Y340 HydrophobicContact CG-CE2 4.06Å
307H94.5Very high94.3Very high109 Ų10929.3 Ų29.351%0.50514%0.135SC..G310 helixtrans-89.63.6175.6-57.9163.1000112.7D304 P305 E376D304-H307 PolarHBondContact O-N 2.84Å; D304-H307 IonicContact OD2-CE1 3.13Å; D304-H307 IonicContact OD2-NE2 3.79Å; P305-H307 PolarHBondContact O-N 3.36Å; H307-E376 WeakPolarHBondContact CB-OE1 3.35Å; H307-E376 IonicContact CE1-OE1 3.21Å; H307-E376 IonicContact CG-OE1 3.72Å; H307-E376 IonicContact ND1-OE1 2.77Å; H307-E376 PolarHBondContact ND1-OE1 2.66Å; H307-E376 IonicContact ND1-OE2 3.17Å
308G95.5Very high94.3Very high4 Ų422.2 Ų22.24%0.04110%0.104CC..SBendtrans-144.3-158.6174.800000112.5P305 R306 T372 Q426P305-G308 CarbonylContact O-C 3.12Å; P305-G308 PolarHBondContact O-N 3.41Å; P305-G308 VanDerWaalsContact O-O 3.12Å; R306-G308 VanDerWaalsContact C-N 3.29Å; G308-T372 VanDerWaalsContact CA-OG1 3.32Å; G308-T372 WeakPolarHBondContact CA-OG1 3.44Å; G308-Q426 VanDerWaalsContact CA-OE1 3.29Å
309R96.8Very high94.3Very high95 Ų9521.9 Ų21.936%0.35810%0.102SC..  trans-131.4133177.3-60-65.8-175126.9-1.8109.6L311 S339 Y340 F341 V342 S371 T372 Q426R309-L311 PolarHBondContact O-N 2.92Å; R309-S339 WeakPolarHBondContact CD-O 3.18Å; R309-S339 PolarHBondContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NH1-C 3.32Å; R309-S339 PolarHBondContact NH1-O 3.34Å; R309-S339 PolarHBondContact NH2-O 3.48Å; R309-Y340 CarbonylContact C-O 3.6Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.3Å; R309-F341 PolarHBondContact NH1-O 3.26Å; R309-V342 HydrophobicContact CB-CG1 3.6Å; R309-V342 HydrophobicContact CG-CG1 4.36Å; R309-S371 WeakPolarHBondContact O-CA 3.36Å; R309-S371 PolarHBondContact O-OG 3.29Å; R309-T372 PolarHBondContact N-OG1 3.15Å; R309-T372 PolarHBondContact O-N 3.33Å; R309-Q426 HydrophobicContact CG-CG 4.05Å
310Y97.1Very high94Very high4 Ų432.6 Ų32.62%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-64.3119.2165.7-70.7-67.7000109.5M267 F294 M299 P305 V313 Y340 F341 V342 F367 N370M267-Y310 HydrophobicContact CE-CE1 3.92Å; F294-Y310 HydrophobicContact CD1-CE2 4.17Å; F294-Y310 HydrophobicContact CE1-CE2 4.1Å; M299-Y310 WeakPolarHBondContact CE-OH 3.24Å; P305-Y310 HydrophobicContact CB-CE1 4.21Å; P305-Y310 HydrophobicContact CB-CE2 3.8Å; P305-Y310 VanDerWaalsContact CB-CZ 3.48Å; P305-Y310 WeakPolarHBondContact CB-OH 3.02Å; P305-Y310 WeakPolarHBondContact CG-OH 3.49Å; Y310-V313 HydrophobicContact CD1-CG2 3.62Å; Y310-V313 HydrophobicContact CD2-CG2 4.46Å; Y310-V313 HydrophobicContact CE1-CG2 4.14Å; Y310-V313 HydrophobicContact CG-CG2 3.8Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.44Å; Y310-Y340 PolarHBondContact N-O 3.33Å; Y310-F341 HydrophobicContact CD2-CD2 4.49Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CE2 4.14Å; Y310-F341 HydrophobicContact CD2-CZ 4.01Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.17Å; Y310-F341 HydrophobicContact CG-CZ 4.38Å; Y310-V342 PolarHBondContact O-N 2.88Å; Y310-F367 HydrophobicContact CD1-CZ 4.47Å; Y310-F367 HydrophobicContact CE1-CE1 4.21Å; Y310-F367 AromaticContact CE1-CZ 3.61Å; Y310-F367 HydrophobicContact CE1-CZ 3.61Å; Y310-F367 AromaticContact CZ-CZ 3.89Å; Y310-N370 CarbonylContact C-O 3.56Å; Y310-N370 WeakPolarHBondContact CA-O 3.33Å
311L97.3Very high93.8Very high0 Ų034.1 Ų34.10%015%0.15CC..EExtended strand (participates in β ladder)trans-73.1-50.9166.8-56.8-176000109.2P259 L263 R309 V342 W344 I345 N348 N370 T372 Y422P259-L311 HydrophobicContact CG-CB 4.22Å; P259-L311 HydrophobicContact CG-CD1 4.06Å; L263-L311 HydrophobicContact CB-CD1 4.16Å; L263-L311 HydrophobicContact CD1-CD1 3.56Å; R309-L311 PolarHBondContact O-N 2.92Å; L311-V342 HydrophobicContact CD2-CG1 3.75Å; L311-V342 HydrophobicContact CD2-CG2 4.34Å; L311-W344 HydrophobicContact CD2-CH2 3.91Å; L311-W344 HydrophobicContact CD2-CZ2 3.81Å; L311-I345 HydrophobicContact CB-CD1 4.11Å; L311-I345 WeakPolarHBondContact O-CD1 3.33Å; L311-N348 VanDerWaalsContact O-CB 3.24Å; L311-N348 WeakPolarHBondContact O-CB 3.16Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.03Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.2Å; L311-Y422 HydrophobicContact CD1-CE1 4.43Å
312T96.4Very high93.7Very high4 Ų437 Ų373%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-147.6155.3177.965.50000110.9M257 I345 N348 N370M257-T312 WeakPolarHBondContact CA-OG1 3.44Å; M257-T312 VanDerWaalsContact CE-OG1 3.32Å; M257-T312 WeakPolarHBondContact CE-OG1 3.41Å; M257-T312 PolarHBondContact O-OG1 2.7Å; T312-I345 HydrophobicContact CG2-CD1 4.46Å; T312-N348 CarbonylContact C-O 3.47Å; T312-N348 VanDerWaalsContact CA-O 3.23Å; T312-N348 WeakPolarHBondContact CA-O 3.39Å; T312-N370 PolarHBondContact N-O 3.45Å; T312-N370 PolarHBondContact O-N 2.78Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.37Å
313V96.1Very high93.7Very high0 Ų038.8 Ų38.80%017%0.173CC..EExtended strand (participates in β ladder)trans-137.3136.6176.7164.90000109.4F294 Y310 F341 N348 V349 K350 F367 I368F294-V313 HydrophobicContact CE1-CG2 4.5Å; F294-V313 HydrophobicContact CZ-CG1 4.09Å; Y310-V313 HydrophobicContact CD1-CG2 3.62Å; Y310-V313 HydrophobicContact CD2-CG2 4.46Å; Y310-V313 HydrophobicContact CE1-CG2 4.14Å; Y310-V313 HydrophobicContact CG-CG2 3.8Å; V313-F341 HydrophobicContact CB-CE1 4.26Å; V313-F341 HydrophobicContact CG2-CE1 3.7Å; V313-F341 HydrophobicContact CG2-CZ 4.07Å; V313-N348 PolarHBondContact N-O 3.33Å; V313-V349 HydrophobicContact CB-CG2 4.33Å; V313-V349 HydrophobicContact CG1-CG1 4.42Å; V313-V349 CarbonylContact O-C 3.18Å; V313-V349 WeakPolarHBondContact O-CA 3.47Å; V313-K350 PolarHBondContact O-N 3.23Å; V313-F367 HydrophobicContact CB-CE2 4.33Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.44Å; V313-F367 VanDerWaalsContact CG1-CE2 3.44Å; V313-F367 HydrophobicContact CG1-CZ 4.31Å; V313-F367 HydrophobicContact CG2-CE2 3.98Å; V313-F367 HydrophobicContact CG2-CZ 4.08Å; V313-I368 CarbonylContact C-O 3.49Å; V313-I368 WeakPolarHBondContact CA-O 3.36Å
314A94.7Very high93.8Very high7 Ų745.3 Ų45.36%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-120.1138.616400000111.1M257 K350 I368M257-A314 HydrophobicContact CE-CB 4.03Å; M257-A314 HydrophobicContact SD-CB 3.63Å; A314-K350 CarbonylContact C-O 3.51Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.29Å; A314-K350 HydrophobicContact CB-CB 4.4Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.43Å; A314-I368 PolarHBondContact N-O 3.45Å; A314-I368 PolarHBondContact O-N 3.41Å
315A95.2Very high94Very high1 Ų147.5 Ų47.51%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-123.7114.3174.400000109.7M293 F317 M330 K350 T351 A352 V365 T366M293-A315 HydrophobicContact CE-CB 3.48Å; M293-A315 VanDerWaalsContact CE-CB 3.48Å; M293-A315 HydrophobicContact SD-CB 3.61Å; A315-F317 HydrophobicContact CB-CD2 4.23Å; A315-F317 HydrophobicContact CB-CE2 3.72Å; A315-M330 HydrophobicContact CB-CE 3.77Å; A315-M330 HydrophobicContact CB-SD 4.04Å; A315-K350 PolarHBondContact N-O 2.81Å; A315-T351 WeakPolarHBondContact O-CA 3.44Å; A315-A352 PolarHBondContact O-N 3.23Å; A315-V365 HydrophobicContact CB-CG2 4.15Å; A315-T366 WeakPolarHBondContact CA-O 3.45Å
316I94.4Very high94.2Very high10 Ų1047.2 Ų47.25%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-105.295.5-178.8-55.2169.3000108A352 V365 T366 I368I316-A352 HydrophobicContact CG1-CB 4.4Å; I316-A352 HydrophobicContact CG2-CB 4.46Å; I316-V365 CarbonylContact O-C 3.55Å; I316-V365 WeakPolarHBondContact O-CA 3.25Å; I316-T366 PolarHBondContact N-O 2.93Å; I316-T366 PolarHBondContact O-N 2.78Å; I316-I368 HydrophobicContact CD1-CD1 4.07Å
317F94.8Very high94.3Very high0 Ų043.1 Ų43.10%020%0.198CC..EExtended strand (participates in β ladder)trans-79141.3175.7-72.3-93.9000111V286 L289 M293 A315 M321 V326 M330 A352 V353 C354 S364 V365V286-F317 HydrophobicContact CG1-CE1 4.1Å; V286-F317 HydrophobicContact CG1-CZ 4.48Å; L289-F317 HydrophobicContact CB-CE1 4.17Å; L289-F317 HydrophobicContact CD1-CD1 4.33Å; L289-F317 HydrophobicContact CD1-CE1 4.41Å; M293-F317 HydrophobicContact CE-CZ 4.49Å; A315-F317 HydrophobicContact CB-CD2 4.23Å; A315-F317 HydrophobicContact CB-CE2 3.72Å; F317-M321 HydrophobicContact CB-CE 4.03Å; F317-M321 HydrophobicContact CB-SD 3.64Å; F317-M321 HydrophobicContact CD1-CE 4.41Å; F317-M321 HydrophobicContact CD1-SD 3.63Å; F317-M321 HydrophobicContact CG-SD 3.94Å; F317-V326 HydrophobicContact CD1-CG2 4.28Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CD2-CG2 4.3Å; F317-V326 HydrophobicContact CE2-CG1 3.52Å; F317-V326 HydrophobicContact CG-CG1 4.22Å; F317-V326 HydrophobicContact CG-CG2 4.15Å; F317-V326 HydrophobicContact CZ-CG1 4.18Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.16Å; F317-M330 HydrophobicContact CZ-SD 4.32Å; F317-A352 PolarHBondContact N-O 2.95Å; F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.6Å; F317-V353 WeakPolarHBondContact O-CA 3.09Å; F317-C354 PolarHBondContact O-N 2.84Å; F317-S364 WeakPolarHBondContact CA-O 3.43Å; F317-V365 HydrophobicContact CD1-CB 3.81Å; F317-V365 HydrophobicContact CD1-CG2 3.91Å; F317-V365 HydrophobicContact CD2-CG2 3.85Å; F317-V365 HydrophobicContact CE1-CB 3.85Å; F317-V365 HydrophobicContact CE1-CG1 4.42Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.78Å; F317-V365 HydrophobicContact CG-CB 4.22Å; F317-V365 HydrophobicContact CG-CG2 3.92Å; F317-V365 HydrophobicContact CZ-CB 4.28Å; F317-V365 HydrophobicContact CZ-CG2 3.78Å
318R92.8Very high94.4Very high1 Ų142.3 Ų42.30%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-130.9135.7179.9-59.6-176.363.3176.61.6110.2E27 S234 T238 M321 C354 I356 M363 S364E27-R318 IonicContact OE1-CZ 2.84Å; E27-R318 IonicContact OE1-NH1 3.99Å; E27-R318 PolarHBondContact OE1-NH1 3.38Å; E27-R318 IonicContact OE1-NH2 3.97Å; E27-R318 PolarHBondContact OE1-NH2 3.35Å; E27-R318 IonicContact OE2-CZ 3.45Å; E27-R318 IonicContact OE2-NH1 3.06Å; E27-R318 PolarHBondContact OE2-NH1 3.01Å; E27-R318 IonicContact OE2-NH2 3.53Å; E27-R318 PolarHBondContact OE2-NH2 3.06Å; S234-R318 PolarHBondContact OG-NH1 3.17Å; T238-R318 HydrophobicContact CG2-CG 4.04Å; T238-R318 WeakPolarHBondContact OG1-CD 3.23Å; T238-R318 VanDerWaalsContact OG1-CZ 3.3Å; T238-R318 PolarHBondContact OG1-NE 3.13Å; T238-R318 PolarHBondContact OG1-NH1 3.13Å; R318-M321 VanDerWaalsContact C-CE 3.46Å; R318-M321 WeakPolarHBondContact O-CE 3.39Å; R318-C354 CarbonylContact C-O 3.42Å; R318-C354 VanDerWaalsContact CA-O 3.23Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; R318-I356 PolarHBondContact NE-O 3.2Å; R318-M363 CarbonylContact O-C 3.55Å; R318-M363 WeakPolarHBondContact O-CA 3.35Å; R318-M363 WeakPolarHBondContact O-CB 3.17Å; R318-S364 PolarHBondContact N-O 3.33Å; R318-S364 PolarHBondContact O-N 3.44Å
319G91.5Very high94.4Very high0 Ų044.4 Ų44.40%020%0.203CC..SBendtrans110.8166.5-175.900000113.2M321 C354G319-M321 VanDerWaalsContact O-CE 3.29Å; G319-M321 WeakPolarHBondContact O-CE 3.36Å; G319-M321 PolarHBondContact O-N 2.84Å; G319-M321 VanDerWaalsContact O-N 3.15Å; G319-C354 PolarHBondContact N-O 3.27Å
320R89.2Confident94.4Very high228 Ų22840.1 Ų40.186%0.8619%0.187SC*.SBendtrans-73106.8-178.9-64.4-176.3-177.3-175.30.9110.5
321M91.8Very high94.3Very high32 Ų3244.2 Ų44.216%0.15821%0.209CC..  trans-147.7163.8178.964.8-166.18300112V286 F317 R318 G319 M323 V326 V353 M363V286-M321 HydrophobicContact CG2-CB 4.03Å; V286-M321 HydrophobicContact CG2-CG 4.37Å; V286-M321 HydrophobicContact CG2-SD 3.88Å; F317-M321 HydrophobicContact CB-CE 4.03Å; F317-M321 HydrophobicContact CB-SD 3.64Å; F317-M321 HydrophobicContact CD1-CE 4.41Å; F317-M321 HydrophobicContact CD1-SD 3.63Å; F317-M321 HydrophobicContact CG-SD 3.94Å; R318-M321 VanDerWaalsContact C-CE 3.46Å; R318-M321 WeakPolarHBondContact O-CE 3.39Å; G319-M321 VanDerWaalsContact O-CE 3.29Å; G319-M321 WeakPolarHBondContact O-CE 3.36Å; G319-M321 PolarHBondContact O-N 2.84Å; G319-M321 VanDerWaalsContact O-N 3.15Å; M321-M323 PolarHBondContact O-N 3.27Å; M321-V326 HydrophobicContact CG-CG2 4.01Å; M321-V326 HydrophobicContact SD-CG2 3.8Å; M321-V353 HydrophobicContact CG-CG1 4.01Å; M321-M363 HydrophobicContact CE-CB 3.81Å; M321-M363 HydrophobicContact CE-CE 3.98Å; M321-M363 HydrophobicContact SD-CE 4.07Å
322S91.8Very high94.2Very high60 Ų6048.2 Ų48.242%0.4223%0.23SC..  trans-77.6120.2178.3176.70000110.4K324 E325 V326S322-K324 PolarHBondContact O-N 3.37Å; S322-K324 PolarHBondContact OG-N 3.35Å; S322-E325 WeakPolarHBondContact O-CB 3.29Å; S322-E325 PolarHBondContact O-N 3.49Å; S322-E325 VanDerWaalsContact O-N 3.08Å; S322-E325 PolarHBondContact OG-N 3.3Å; S322-V326 PolarHBondContact O-N 2.89Å
323M90.3Very high94.1Very high72 Ų7248.9 Ų48.936%0.35523%0.234SC..Hα-helixtrans-58.5-38.2173.9-172.6176.3-171.200112Q245 M321 E325 V326 D327Q245-M323 PolarHBondContact OE1-SD 2.82Å; M321-M323 PolarHBondContact O-N 3.27Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.32Å; M323-V326 WeakPolarHBondContact O-CB 3.35Å; M323-V326 PolarHBondContact O-N 3.46Å; M323-V326 VanDerWaalsContact O-N 3.17Å; M323-D327 PolarHBondContact O-N 3.15Å
324K94.6Very high93.9Very high144 Ų14451.2 Ų51.263%0.62625%0.245SC*.Hα-helixtrans-58-42.3174.9178.8179.6171-179.70111.8S322 E328S322-K324 PolarHBondContact O-N 3.37Å; S322-K324 PolarHBondContact OG-N 3.35Å; K324-E328 WeakPolarHBondContact CE-OE1 3.49Å; K324-E328 IonicContact NZ-OE1 2.58Å; K324-E328 WeakPolarHBondContact O-CB 3.08Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 3.25Å
325E95.8Very high93.8Very high70 Ų7055.5 Ų55.533%0.32727%0.267SS..Hα-helixtrans-67.7-40.8178.1-173.4-178-171.200111V286 S322 M323 E328 Q329V286-E325 HydrophobicContact CB-CG 4.04Å; V286-E325 HydrophobicContact CG1-CG 4.3Å; V286-E325 HydrophobicContact CG2-CG 4.33Å; S322-E325 WeakPolarHBondContact O-CB 3.29Å; S322-E325 PolarHBondContact O-N 3.49Å; S322-E325 VanDerWaalsContact O-N 3.08Å; S322-E325 PolarHBondContact OG-N 3.3Å; M323-E325 VanDerWaalsContact C-N 3.28Å; M323-E325 PolarHBondContact O-N 3.32Å; E325-E328 PolarHBondContact O-N 2.6Å; E325-Q329 HydrophobicContact CG-CG 4.48Å; E325-Q329 WeakPolarHBondContact O-CB 3.26Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.34Å; E325-Q329 PolarHBondContact O-N 2.76Å
326V95Very high93.7Very high0 Ų063.3 Ų63.30%030%0.301CS..Hα-helixtrans-57.9-51.7174.2171.80000110.9V286 F317 M321 S322 M323 E328 Q329 M330 T351 V353V286-V326 HydrophobicContact CG1-CB 4.4Å; V286-V326 HydrophobicContact CG1-CG2 3.83Å; V286-V326 HydrophobicContact CG2-CG2 4.16Å; F317-V326 HydrophobicContact CD1-CG2 4.28Å; F317-V326 HydrophobicContact CD2-CG1 3.54Å; F317-V326 HydrophobicContact CD2-CG2 4.3Å; F317-V326 HydrophobicContact CE2-CG1 3.52Å; F317-V326 HydrophobicContact CG-CG1 4.22Å; F317-V326 HydrophobicContact CG-CG2 4.15Å; F317-V326 HydrophobicContact CZ-CG1 4.18Å; M321-V326 HydrophobicContact CG-CG2 4.01Å; M321-V326 HydrophobicContact SD-CG2 3.8Å; S322-V326 PolarHBondContact O-N 2.89Å; M323-V326 WeakPolarHBondContact O-CB 3.35Å; M323-V326 PolarHBondContact O-N 3.46Å; M323-V326 VanDerWaalsContact O-N 3.17Å; V326-E328 PolarHBondContact O-N 3.05Å; V326-Q329 PolarHBondContact O-N 2.93Å; V326-M330 HydrophobicContact CG1-CG 4.29Å; V326-M330 WeakPolarHBondContact O-CB 3.21Å; V326-M330 WeakPolarHBondContact O-CG 3.42Å; V326-M330 PolarHBondContact O-N 3.3Å; V326-T351 HydrophobicContact CG1-CG2 4.28Å; V326-V353 HydrophobicContact CB-CG2 4.47Å; V326-V353 HydrophobicContact CG1-CG2 4.33Å; V326-V353 HydrophobicContact CG2-CG2 4.2Å
327D94.6Very high93.6Very high65 Ų6564.2 Ų64.235%0.34831%0.306SS..Hα-helixtrans-64.1-41.2-178.2-67-25.2000111.8M323 M330 L331 T351M323-D327 PolarHBondContact O-N 3.15Å; D327-M330 PolarHBondContact O-N 3.4Å; D327-L331 WeakPolarHBondContact O-CB 3.32Å; D327-L331 PolarHBondContact O-N 2.63Å; D327-T351 PolarHBondContact OD1-OG1 3.26Å; D327-T351 VanDerWaalsContact OD1-OG1 3.11Å
328E96.7Very high93.4Very high91 Ų9167.9 Ų67.943%0.42533%0.332SS..Hα-helixtrans-61.5-45.9174.8-76.6174.5-178.900112K324 E325 V326 L331 N332K324-E328 WeakPolarHBondContact CE-OE1 3.49Å; K324-E328 IonicContact NZ-OE1 2.58Å; K324-E328 WeakPolarHBondContact O-CB 3.08Å; K324-E328 VanDerWaalsContact O-CG 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 3.25Å; E325-E328 PolarHBondContact O-N 2.6Å; V326-E328 PolarHBondContact O-N 3.05Å; E328-L331 PolarHBondContact O-N 3.17Å; E328-N332 WeakPolarHBondContact O-CB 3.25Å; E328-N332 PolarHBondContact O-N 3.43Å; E328-N332 PolarHBondContact O-ND2 3.34Å; E328-N332 VanDerWaalsContact O-ND2 3.13Å
329Q96.5Very high93.4Very high48 Ų4870.9 Ų70.922%0.22435%0.352CS..Hα-helixtrans-68.6-35.5179.2-67.6-50.3-5000112.5V286 P287 T290 E325 V326 N332 V333V286-Q329 HydrophobicContact CG1-CB 4.19Å; V286-Q329 HydrophobicContact CG1-CG 4.03Å; P287-Q329 HydrophobicContact CB-CG 4.29Å; P287-Q329 HydrophobicContact CG-CG 3.88Å; T290-Q329 HydrophobicContact CG2-CB 4.36Å; E325-Q329 HydrophobicContact CG-CG 4.48Å; E325-Q329 WeakPolarHBondContact O-CB 3.26Å; E325-Q329 VanDerWaalsContact O-CG 3.28Å; E325-Q329 WeakPolarHBondContact O-CG 3.34Å; E325-Q329 PolarHBondContact O-N 2.76Å; V326-Q329 PolarHBondContact O-N 2.93Å; Q329-N332 PolarHBondContact O-N 3.44Å; Q329-V333 PolarHBondContact O-N 2.89Å
330M95.6Very high93.5Very high5 Ų574.4 Ų74.43%0.02537%0.366CS..Hα-helixtrans-69.4-39.4177.3-71.5-64.3-56.700111.8T290 M293 F294 A315 F317 V326 D327 V333 Q334 V349 T351T290-M330 HydrophobicContact CG2-SD 3.87Å; M293-M330 HydrophobicContact CE-CE 3.79Å; M293-M330 HydrophobicContact CE-SD 3.34Å; M293-M330 WeakPolarHBondContact CE-SD 3.37Å; F294-M330 HydrophobicContact CE2-CE 4.19Å; F294-M330 HydrophobicContact CE2-SD 4.47Å; F294-M330 HydrophobicContact CZ-CE 4.48Å; A315-M330 HydrophobicContact CB-CE 3.77Å; A315-M330 HydrophobicContact CB-SD 4.04Å; F317-M330 HydrophobicContact CE2-CG 4.27Å; F317-M330 HydrophobicContact CE2-SD 4.16Å; F317-M330 HydrophobicContact CZ-SD 4.32Å; V326-M330 HydrophobicContact CG1-CG 4.29Å; V326-M330 WeakPolarHBondContact O-CB 3.21Å; V326-M330 WeakPolarHBondContact O-CG 3.42Å; V326-M330 PolarHBondContact O-N 3.3Å; D327-M330 PolarHBondContact O-N 3.4Å; M330-V333 WeakPolarHBondContact O-CG1 3.44Å; M330-V333 HydrophobicContact SD-CG1 4.33Å; M330-Q334 WeakPolarHBondContact O-CB 3.31Å; M330-Q334 PolarHBondContact O-N 3.36Å; M330-V349 HydrophobicContact CE-CG1 3.42Å; M330-V349 VanDerWaalsContact CE-CG1 3.42Å; M330-T351 HydrophobicContact CB-CG2 3.87Å; M330-T351 HydrophobicContact CE-CG2 4.16Å; M330-T351 HydrophobicContact CG-CG2 3.54Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
331L94.8Very high93.8Very high91 Ų9164 Ų6448%0.47633%0.327SS..Hα-helixtrans-63.8-42.9171.5-177.761.9000111.5D327 E328 V333 Q334 N335D327-L331 WeakPolarHBondContact O-CB 3.32Å; D327-L331 PolarHBondContact O-N 2.63Å; E328-L331 PolarHBondContact O-N 3.17Å; L331-V333 PolarHBondContact O-N 2.98Å; L331-Q334 PolarHBondContact O-N 3Å; L331-N335 WeakPolarHBondContact O-CB 3.32Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.2Å; L331-N335 PolarHBondContact O-ND2 3.17Å
332N95.7Very high94Very high84 Ų8463 Ų6345%0.44932%0.323SS..Hα-helixtrans-62.2-44.5178.8-72.6-26000112.4E328 Q329 N335 K336E328-N332 WeakPolarHBondContact O-CB 3.25Å; E328-N332 PolarHBondContact O-N 3.43Å; E328-N332 PolarHBondContact O-ND2 3.34Å; E328-N332 VanDerWaalsContact O-ND2 3.13Å; Q329-N332 PolarHBondContact O-N 3.44Å; N332-N335 PolarHBondContact O-N 3.08Å; N332-K336 WeakPolarHBondContact O-CB 3.34Å; N332-K336 PolarHBondContact O-N 3.11Å
333V93.4Very high94Very high17 Ų1766.2 Ų66.210%0.10333%0.331CS..Hα-helixtrans-70.7-34.3179.476.20000111.5T290 F294 Q329 M330 L331 N337T290-V333 HydrophobicContact CG2-CB 3.9Å; T290-V333 HydrophobicContact CG2-CG1 3.64Å; T290-V333 HydrophobicContact CG2-CG2 4.35Å; F294-V333 HydrophobicContact CB-CG2 4.18Å; F294-V333 HydrophobicContact CD2-CB 4.31Å; F294-V333 HydrophobicContact CD2-CG1 3.81Å; F294-V333 HydrophobicContact CD2-CG2 3.51Å; F294-V333 HydrophobicContact CE2-CB 4.32Å; F294-V333 HydrophobicContact CE2-CG1 3.36Å; F294-V333 HydrophobicContact CE2-CG2 3.94Å; F294-V333 HydrophobicContact CG-CG2 3.82Å; F294-V333 HydrophobicContact CZ-CG1 3.97Å; Q329-V333 PolarHBondContact O-N 2.89Å; M330-V333 WeakPolarHBondContact O-CG1 3.44Å; M330-V333 HydrophobicContact SD-CG1 4.33Å; L331-V333 PolarHBondContact O-N 2.98Å; V333-N337 VanDerWaalsContact CG2-ND2 3.3Å; V333-N337 WeakPolarHBondContact CG2-ND2 3.31Å; V333-N337 VanDerWaalsContact O-CB 3.31Å; V333-N337 WeakPolarHBondContact O-CB 3.29Å; V333-N337 PolarHBondContact O-N 3.23Å; V333-N337 PolarHBondContact O-ND2 3.45Å
334Q92Very high94.1Very high49 Ų4965.7 Ų65.723%0.22933%0.325CS..Hα-helixtrans-64-48.1173.1-172.7-175.923.400111M330 L331 K336 N337 S338 F341 N348 V349M330-Q334 WeakPolarHBondContact O-CB 3.31Å; M330-Q334 PolarHBondContact O-N 3.36Å; L331-Q334 PolarHBondContact O-N 3Å; Q334-K336 PolarHBondContact O-N 2.85Å; Q334-N337 CarbonylContact O-C 3.51Å; Q334-N337 VanDerWaalsContact O-C 3.3Å; Q334-N337 PolarHBondContact O-N 2.94Å; Q334-S338 VanDerWaalsContact O-CA 3.31Å; Q334-S338 WeakPolarHBondContact O-CA 3.17Å; Q334-S338 PolarHBondContact O-N 3.49Å; Q334-F341 HydrophobicContact CG-CD2 4.41Å; Q334-F341 HydrophobicContact CG-CE2 4.31Å; Q334-F341 HydrophobicContact CG-CZ 4.5Å; Q334-N348 PolarHBondContact NE2-OD1 3.32Å; Q334-V349 HydrophobicContact CG-CG2 4.14Å
335N93Very high93.9Very high98 Ų9860.1 Ų60.152%0.52430%0.302SS..Hα-helixtrans-61.1-43.2177.7-74.2-26.2000112.1L331 N332 N337 S338L331-N335 WeakPolarHBondContact O-CB 3.32Å; L331-N335 VanDerWaalsContact O-CG 3.25Å; L331-N335 PolarHBondContact O-N 3.2Å; L331-N335 PolarHBondContact O-ND2 3.17Å; N332-N335 PolarHBondContact O-N 3.08Å; N335-N337 VanDerWaalsContact C-N 3.26Å; N335-N337 PolarHBondContact O-N 2.83Å; N335-S338 PolarHBondContact O-N 3.43Å; N335-S338 PolarHBondContact O-OG 3.41Å
336K93.3Very high93.6Very high164 Ų16461.8 Ų61.871%0.71332%0.319SS*.Hα-helixtrans-63.4-33.9177.9-178.4-179.4175.7-1750112.4N332 Q334N332-K336 WeakPolarHBondContact O-CB 3.34Å; N332-K336 PolarHBondContact O-N 3.11Å; Q334-K336 PolarHBondContact O-N 2.85Å
337N91.6Very high93.3Very high30 Ų3067.9 Ų67.916%0.1635%0.352CS..THydrogen-bonded Turntrans-109.523.2-176.1-64.9-63.8000112.1V333 Q334 N335 S339 Y340 F341V333-N337 VanDerWaalsContact CG2-ND2 3.3Å; V333-N337 WeakPolarHBondContact CG2-ND2 3.31Å; V333-N337 VanDerWaalsContact O-CB 3.31Å; V333-N337 WeakPolarHBondContact O-CB 3.29Å; V333-N337 PolarHBondContact O-N 3.23Å; V333-N337 PolarHBondContact O-ND2 3.45Å; Q334-N337 CarbonylContact O-C 3.51Å; Q334-N337 VanDerWaalsContact O-C 3.3Å; Q334-N337 PolarHBondContact O-N 2.94Å; N335-N337 VanDerWaalsContact C-N 3.26Å; N335-N337 PolarHBondContact O-N 2.83Å; N337-S339 PolarHBondContact O-N 3.49Å; N337-S339 VanDerWaalsContact O-N 3.11Å; N337-Y340 HydrophobicContact CB-CD2 3.82Å; N337-Y340 WeakPolarHBondContact O-CA 3.28Å; N337-Y340 WeakPolarHBondContact O-CB 3.32Å; N337-Y340 PolarHBondContact O-N 3.01Å; N337-F341 HydrophobicContact CB-CE2 4.26Å; N337-F341 WeakPolarHBondContact O-CD2 3.28Å
338S92Very high93.2Very high77 Ų7765.2 Ų65.254%0.53834%0.338SS..G310 helixtrans-56.4-33.9-172.456.80000112.7Q334 N335 Y340 F341Q334-S338 VanDerWaalsContact O-CA 3.31Å; Q334-S338 WeakPolarHBondContact O-CA 3.17Å; Q334-S338 PolarHBondContact O-N 3.49Å; N335-S338 PolarHBondContact O-N 3.43Å; N335-S338 PolarHBondContact O-OG 3.41Å; S338-Y340 PolarHBondContact O-N 2.91Å; S338-Y340 VanDerWaalsContact O-N 3.14Å; S338-F341 PolarHBondContact O-N 3.1Å; S338-F341 VanDerWaalsContact O-N 3.09Å
339S92.4Very high93Very high63 Ų6362 Ų6244%0.44132%0.324SS..G310 helixtrans-66.8-6.4173.564.80000114.8R309 N337R309-S339 WeakPolarHBondContact CD-O 3.18Å; R309-S339 PolarHBondContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NE-O 3.07Å; R309-S339 VanDerWaalsContact NH1-C 3.32Å; R309-S339 PolarHBondContact NH1-O 3.34Å; R309-S339 PolarHBondContact NH2-O 3.48Å; N337-S339 PolarHBondContact O-N 3.49Å; N337-S339 VanDerWaalsContact O-N 3.11Å
340Y94.4Very high92.8Very high75 Ų7563.2 Ų63.229%0.29433%0.329SS..G310 helixtrans-108.34.6174.6-53.1-40.4000112R306 R309 Y310 N337 S338R306-Y340 HydrophobicContact CB-CE1 4.14Å; R306-Y340 HydrophobicContact CG-CE1 4.26Å; R306-Y340 HydrophobicContact CG-CE2 4.06Å; R309-Y340 CarbonylContact C-O 3.6Å; R309-Y340 VanDerWaalsContact CA-O 3.29Å; R309-Y340 WeakPolarHBondContact CA-O 3.3Å; Y310-Y340 WeakPolarHBondContact CD2-O 3.44Å; Y310-Y340 PolarHBondContact N-O 3.33Å; N337-Y340 HydrophobicContact CB-CD2 3.82Å; N337-Y340 WeakPolarHBondContact O-CA 3.28Å; N337-Y340 WeakPolarHBondContact O-CB 3.32Å; N337-Y340 PolarHBondContact O-N 3.01Å; S338-Y340 PolarHBondContact O-N 2.91Å; S338-Y340 VanDerWaalsContact O-N 3.14Å
341F95.2Very high92.6Very high9 Ų964.4 Ų64.44%0.03934%0.336CS..BIsolated β-bridgetrans-106.5152.9170.7-73-95.3000109.5F294 R309 Y310 V313 Q334 N337 S338 V349F294-F341 HydrophobicContact CE1-CE2 4.27Å; F294-F341 AromaticContact CE1-CZ 3.8Å; F294-F341 HydrophobicContact CE1-CZ 3.8Å; F294-F341 HydrophobicContact CZ-CZ 4.1Å; R309-F341 PolarHBondContact NH1-O 3.26Å; Y310-F341 HydrophobicContact CD2-CD2 4.49Å; Y310-F341 HydrophobicContact CD2-CE1 4.23Å; Y310-F341 HydrophobicContact CD2-CE2 4.14Å; Y310-F341 HydrophobicContact CD2-CZ 4.01Å; Y310-F341 HydrophobicContact CG-CD1 4.45Å; Y310-F341 HydrophobicContact CG-CE1 4.17Å; Y310-F341 HydrophobicContact CG-CZ 4.38Å; V313-F341 HydrophobicContact CB-CE1 4.26Å; V313-F341 HydrophobicContact CG2-CE1 3.7Å; V313-F341 HydrophobicContact CG2-CZ 4.07Å; Q334-F341 HydrophobicContact CG-CD2 4.41Å; Q334-F341 HydrophobicContact CG-CE2 4.31Å; Q334-F341 HydrophobicContact CG-CZ 4.5Å; N337-F341 HydrophobicContact CB-CE2 4.26Å; N337-F341 WeakPolarHBondContact O-CD2 3.28Å; S338-F341 PolarHBondContact O-N 3.1Å; S338-F341 VanDerWaalsContact O-N 3.09Å; F341-V349 HydrophobicContact CD1-CG2 4.35Å; F341-V349 HydrophobicContact CE1-CG2 3.58Å; F341-V349 HydrophobicContact CZ-CG2 4Å
342V94.7Very high92.4Very high10 Ų1060.6 Ų60.66%0.06132%0.318CS..  trans-73.9142.3164.8-60.80000109.9R309 Y310 L311 W344 I345 N348R309-V342 HydrophobicContact CB-CG1 3.6Å; R309-V342 HydrophobicContact CG-CG1 4.36Å; Y310-V342 PolarHBondContact O-N 2.88Å; L311-V342 HydrophobicContact CD2-CG1 3.75Å; L311-V342 HydrophobicContact CD2-CG2 4.34Å; V342-W344 HydrophobicContact CB-CD2 4.29Å; V342-W344 HydrophobicContact CB-CG 4.48Å; V342-W344 HydrophobicContact CB-CZ2 3.97Å; V342-W344 HydrophobicContact CG1-CZ2 3.81Å; V342-W344 HydrophobicContact CG2-CD2 4.29Å; V342-W344 HydrophobicContact CG2-CH2 4.38Å; V342-W344 HydrophobicContact CG2-CZ2 3.98Å; V342-I345 HydrophobicContact CG2-CB 3.94Å; V342-I345 HydrophobicContact CG2-CD1 3.87Å; V342-I345 HydrophobicContact CG2-CG1 3.72Å; V342-N348 PolarHBondContact O-ND2 3.41Å
343E91.5Very high92.2Very high129 Ų12958 Ų5860%0.60331%0.305SS*.SBendtrans-85.8-24.2-179.248.6174.3-154.800113.1V430E343-V430 HydrophobicContact CB-CG2 4.44Å; E343-V430 HydrophobicContact CG-CG2 3.96Å; E343-V430 PolarHBondContact OE1-N 3.38Å
344W92.5Very high92Very high60 Ų6057.4 Ų57.423%0.22730%0.301CS..SBendtrans-85.1-6.4-174.151.4-100.4000114.2F260 L311 V342 P346 Y425 A428 V430F260-W344 AromaticContact CE2-CH2 3.64Å; F260-W344 HydrophobicContact CE2-CH2 3.64Å; F260-W344 AromaticContact CE2-CZ3 3.74Å; F260-W344 HydrophobicContact CE2-CZ3 3.74Å; F260-W344 HydrophobicContact CZ-CH2 4.42Å; F260-W344 HydrophobicContact CZ-CZ3 4.13Å; L311-W344 HydrophobicContact CD2-CH2 3.91Å; L311-W344 HydrophobicContact CD2-CZ2 3.81Å; V342-W344 HydrophobicContact CB-CD2 4.29Å; V342-W344 HydrophobicContact CB-CG 4.48Å; V342-W344 HydrophobicContact CB-CZ2 3.97Å; V342-W344 HydrophobicContact CG1-CZ2 3.81Å; V342-W344 HydrophobicContact CG2-CD2 4.29Å; V342-W344 HydrophobicContact CG2-CH2 4.38Å; V342-W344 HydrophobicContact CG2-CZ2 3.98Å; W344-P346 WeakPolarHBondContact O-CD 3.47Å; W344-Y425 HydrophobicContact CH2-CD1 4.2Å; W344-Y425 HydrophobicContact CZ2-CD1 4.28Å; W344-A428 VanDerWaalsContact CD1-O 3.3Å; W344-A428 PolarHBondContact NE1-O 3.36Å; W344-V430 HydrophobicContact CB-CG2 3.88Å
345I92.2Very high91.7Very high27 Ų2760 Ų6014%0.13832%0.317CS..SBendtrans-102.2105.7168.4-56.2-178.1000109.3P259 L311 T312 V342 N348P259-I345 HydrophobicContact CB-CD1 3.78Å; P259-I345 HydrophobicContact CG-CD1 3.83Å; L311-I345 HydrophobicContact CB-CD1 4.11Å; L311-I345 WeakPolarHBondContact O-CD1 3.33Å; T312-I345 HydrophobicContact CG2-CD1 4.46Å; V342-I345 HydrophobicContact CG2-CB 3.94Å; V342-I345 HydrophobicContact CG2-CD1 3.87Å; V342-I345 HydrophobicContact CG2-CG1 3.72Å; I345-N348 HydrophobicContact CB-CB 4.13Å; I345-N348 HydrophobicContact CG2-CB 3.81Å
346P88.9Confident91.4Very high105 Ų10557 Ų5768%0.68230%0.3SS*.THydrogen-bonded Turntrans-69.9147.5174.929.9-34.5000111W344 N348W344-P346 WeakPolarHBondContact O-CD 3.47Å; P346-N348 VanDerWaalsContact C-N 3.25Å; P346-N348 PolarHBondContact O-N 3.08Å
347N88.4Confident91.2Very high128 Ų12851.2 Ų51.268%0.68428%0.28SS*.THydrogen-bonded Turntrans53.239.9175.5-55.9-55.5000114V349 K350N347-V349 PolarHBondContact O-N 2.8Å; N347-K350 PolarHBondContact O-NZ 3.31Å
348N91.8Very high91.1Very high10 Ų1050.6 Ų50.65%0.05328%0.277CS..  trans-72.5-1.2-176.657.93.8000115.5L311 T312 V313 Q334 V342 I345 P346L311-N348 VanDerWaalsContact O-CB 3.24Å; L311-N348 WeakPolarHBondContact O-CB 3.16Å; T312-N348 CarbonylContact C-O 3.47Å; T312-N348 VanDerWaalsContact CA-O 3.23Å; T312-N348 WeakPolarHBondContact CA-O 3.39Å; V313-N348 PolarHBondContact N-O 3.33Å; Q334-N348 PolarHBondContact NE2-OD1 3.32Å; V342-N348 PolarHBondContact O-ND2 3.41Å; I345-N348 HydrophobicContact CB-CB 4.13Å; I345-N348 HydrophobicContact CG2-CB 3.81Å; P346-N348 VanDerWaalsContact C-N 3.25Å; P346-N348 PolarHBondContact O-N 3.08Å
349V93.6Very high90.7Very high24 Ų2455.7 Ų55.715%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-111.3128.4174.6-179.80000109.4V313 M330 Q334 F341 N347V313-V349 HydrophobicContact CB-CG2 4.33Å; V313-V349 HydrophobicContact CG1-CG1 4.42Å; V313-V349 CarbonylContact O-C 3.18Å; V313-V349 WeakPolarHBondContact O-CA 3.47Å; M330-V349 HydrophobicContact CE-CG1 3.42Å; M330-V349 VanDerWaalsContact CE-CG1 3.42Å; Q334-V349 HydrophobicContact CG-CG2 4.14Å; F341-V349 HydrophobicContact CD1-CG2 4.35Å; F341-V349 HydrophobicContact CE1-CG2 3.58Å; F341-V349 HydrophobicContact CZ-CG2 4Å; N347-V349 PolarHBondContact O-N 2.8Å
350K91.7Very high90.3Very high73 Ų7356.6 Ų56.632%0.31730%0.304SS..EExtended strand (participates in β ladder)trans-117.7137.5175.5-59.5-57.2-179.6-150.50110.7N256 V313 A314 A315 N347N256-K350 HydrophobicContact CB-CG 4.44Å; V313-K350 PolarHBondContact O-N 3.23Å; A314-K350 CarbonylContact C-O 3.51Å; A314-K350 VanDerWaalsContact CA-O 3.3Å; A314-K350 WeakPolarHBondContact CA-O 3.29Å; A314-K350 HydrophobicContact CB-CB 4.4Å; A315-K350 PolarHBondContact N-O 2.81Å; N347-K350 PolarHBondContact O-NZ 3.31Å
351T92.4Very high90.1Very high30 Ų3055.5 Ų55.518%0.18430%0.303CS..EExtended strand (participates in β ladder)trans-118.7140.3176.854.40000109.2L246 A315 V326 D327 M330L246-T351 WeakPolarHBondContact CD1-O 3.44Å; A315-T351 WeakPolarHBondContact O-CA 3.44Å; V326-T351 HydrophobicContact CG1-CG2 4.28Å; D327-T351 PolarHBondContact OD1-OG1 3.26Å; D327-T351 VanDerWaalsContact OD1-OG1 3.11Å; M330-T351 HydrophobicContact CB-CG2 3.87Å; M330-T351 HydrophobicContact CE-CG2 4.16Å; M330-T351 HydrophobicContact CG-CG2 3.54Å; M330-T351 HydrophobicContact SD-CG2 4.49Å
352A90.7Very high89.8Confident11 Ų1163.9 Ų63.99%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-133.8143.8170.400000108.7L246 A315 I316 F317L246-A352 HydrophobicContact CD1-CB 4.15Å; A315-A352 PolarHBondContact O-N 3.23Å; I316-A352 HydrophobicContact CG1-CB 4.4Å; I316-A352 HydrophobicContact CG2-CB 4.46Å; F317-A352 PolarHBondContact N-O 2.95Å
353V91Very high89.8Confident29 Ų2964.3 Ų64.318%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-126.4129175.6-174.40000108.3F317 M321 V326F317-V353 HydrophobicContact CB-CG2 4.26Å; F317-V353 CarbonylContact O-C 3.6Å; F317-V353 WeakPolarHBondContact O-CA 3.09Å; M321-V353 HydrophobicContact CG-CG1 4.01Å; V326-V353 HydrophobicContact CB-CG2 4.47Å; V326-V353 HydrophobicContact CG1-CG2 4.33Å; V326-V353 HydrophobicContact CG2-CG2 4.2Å
354C89.4Confident90Very high4 Ų458.2 Ų58.23%0.02731%0.312CS..EExtended strand (participates in β ladder)trans-119.3128.5170.4179.20000108.5T238 F317 R318 G319 I356T238-C354 HydrophobicContact CG2-CB 3.73Å; F317-C354 PolarHBondContact O-N 2.84Å; R318-C354 CarbonylContact C-O 3.42Å; R318-C354 VanDerWaalsContact CA-O 3.23Å; R318-C354 WeakPolarHBondContact CA-O 3.32Å; G319-C354 PolarHBondContact N-O 3.27Å; C354-I356 PolarHBondContact O-N 2.88Å
355D86Confident90.2Very high104 Ų10455.4 Ų55.456%0.55630%0.302SS*.SBendtrans-71.2-4.6-176.2-69.2-28.3000113.9P357D355-P357 WeakPolarHBondContact O-CD 3.39Å
356I86.3Confident90.4Very high34 Ų3454.1 Ų54.117%0.17430%0.295CS..  trans-98.9103.9-177.8-60.2169.9000109.5L42 F242 R318 C354L42-I356 HydrophobicContact CB-CD1 3.83Å; L42-I356 HydrophobicContact CD1-CD1 4.14Å; L42-I356 HydrophobicContact CD1-CG1 4.5Å; F242-I356 HydrophobicContact CB-CD1 4.07Å; F242-I356 HydrophobicContact CD1-CD1 3.2Å; F242-I356 HydrophobicContact CD1-CG1 4.5Å; F242-I356 HydrophobicContact CD2-CD1 4.4Å; F242-I356 HydrophobicContact CE1-CD1 3.6Å; F242-I356 HydrophobicContact CE1-CG2 4.34Å; F242-I356 HydrophobicContact CE2-CG2 4.25Å; F242-I356 HydrophobicContact CG-CD1 3.64Å; F242-I356 HydrophobicContact CZ-CD1 4.35Å; F242-I356 HydrophobicContact CZ-CG2 4.1Å; R318-I356 PolarHBondContact NE-O 3.2Å; C354-I356 PolarHBondContact O-N 2.88Å
357P88.7Confident90.7Very high44 Ų4449.1 Ų49.129%0.28626%0.263SS..PPolyproline II helixtrans-72.1157.8175.933.1-34.1000110.8D355 L361D355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-L361 WeakPolarHBondContact CB-O 3.25Å
358P88.9Confident91.1Very high16 Ų1643 Ų4310%0.10423%0.23CC..PPolyproline II helixtrans-59.9148.6166.2-16.428.9000110.6G360 L361 S364P358-G360 PolarHBondContact O-N 3.25Å; P358-L361 HydrophobicContact CB-CD1 4.3Å; P358-L361 HydrophobicContact CG-CD1 4.3Å; P358-L361 PolarHBondContact O-N 3.3Å; P358-L361 VanDerWaalsContact O-N 3.08Å; P358-S364 WeakPolarHBondContact CD-OG 3.18Å; P358-S364 WeakPolarHBondContact CG-OG 3.39Å
359R83.4Confident91.3Very high185 Ų18542.6 Ų42.670%0.69823%0.228SC*.THydrogen-bonded Turntrans-59.7138.6-180-164.4178.1-175.2150.5-19.9111.2D26 L361D26-R359 WeakPolarHBondContact OD1-CD 3.43Å; D26-R359 IonicContact OD1-CZ 3.6Å; D26-R359 IonicContact OD1-NE 3.21Å; D26-R359 IonicContact OD1-NH1 2.74Å; D26-R359 PolarHBondContact OD1-NH1 3.32Å; D26-R359 VanDerWaalsContact OD2-CB 3.23Å; D26-R359 WeakPolarHBondContact OD2-CB 3.42Å; D26-R359 WeakPolarHBondContact OD2-CD 3.33Å; D26-R359 IonicContact OD2-NE 3.82Å; R359-L361 PolarHBondContact O-N 3.1Å
360G84.9Confident91.5Very high81 Ų8141.4 Ų41.484%0.83522%0.221SC*.THydrogen-bonded Turntrans81.9-5.8-177.300000114.5P358P358-G360 PolarHBondContact O-N 3.25Å
361L89.3Confident91.8Very high52 Ų5238 Ų3827%0.27221%0.206SC..  trans-116.5150.6175.3-60.6177.9000110.6F270 P272 P357 P358 R359F270-L361 HydrophobicContact CE1-CD1 4.27Å; F270-L361 HydrophobicContact CZ-CD1 3.82Å; P272-L361 HydrophobicContact CG-CD2 4.33Å; P357-L361 WeakPolarHBondContact CB-O 3.25Å; P358-L361 HydrophobicContact CB-CD1 4.3Å; P358-L361 HydrophobicContact CG-CD1 4.3Å; P358-L361 PolarHBondContact O-N 3.3Å; P358-L361 VanDerWaalsContact O-N 3.08Å; R359-L361 PolarHBondContact O-N 3.1Å
362K90.5Very high92Very high185 Ų18536.5 Ų36.580%0.80420%0.197SC*.SBendtrans-86.1-31.9171.7-68.2-175.9178.7179.50112
363M94.1Very high92.3Very high20 Ų2036 Ų3610%0.09919%0.192CC..  trans-157.7153.5177.558.3-167.8-58.900110.3L284 V286 L289 R318 M321L284-M363 HydrophobicContact CB-CG 3.82Å; L284-M363 HydrophobicContact CB-SD 3.96Å; L284-M363 HydrophobicContact CD1-CG 4.36Å; V286-M363 HydrophobicContact CG2-CE 3.72Å; L289-M363 HydrophobicContact CD1-CB 4.28Å; L289-M363 HydrophobicContact CD1-CE 3.63Å; L289-M363 HydrophobicContact CD1-CG 3.98Å; L289-M363 HydrophobicContact CD1-SD 4.47Å; L289-M363 HydrophobicContact CG-CE 4.35Å; R318-M363 CarbonylContact O-C 3.55Å; R318-M363 WeakPolarHBondContact O-CA 3.35Å; R318-M363 WeakPolarHBondContact O-CB 3.17Å; M321-M363 HydrophobicContact CE-CB 3.81Å; M321-M363 HydrophobicContact CE-CE 3.98Å; M321-M363 HydrophobicContact SD-CE 4.07Å
364S95.5Very high92.6Very high0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-150.2169.9173.670.40000110.3A271 F317 R318 P358A271-S364 CarbonylContact O-C 3.51Å; A271-S364 WeakPolarHBondContact O-CA 3.35Å; A271-S364 VanDerWaalsContact O-CB 3.24Å; A271-S364 WeakPolarHBondContact O-CB 3.4Å; F317-S364 WeakPolarHBondContact CA-O 3.43Å; R318-S364 PolarHBondContact N-O 3.33Å; R318-S364 PolarHBondContact O-N 3.44Å; P358-S364 WeakPolarHBondContact CD-OG 3.18Å; P358-S364 WeakPolarHBondContact CG-OG 3.39Å
365V96.1Very high92.9Very high1 Ų134.8 Ų34.81%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-138.5138.5168.664.50000109.4A271 L289 M293 A315 I316 F317A271-V365 HydrophobicContact CB-CG1 3.78Å; A271-V365 PolarHBondContact N-O 3.14Å; A271-V365 PolarHBondContact O-N 2.79Å; L289-V365 HydrophobicContact CB-CB 4.48Å; L289-V365 HydrophobicContact CB-CG1 3.8Å; L289-V365 HydrophobicContact CD1-CB 4.4Å; L289-V365 HydrophobicContact CD1-CG1 4.39Å; L289-V365 HydrophobicContact CG-CG1 4.48Å; M293-V365 HydrophobicContact CB-CG1 4.24Å; M293-V365 HydrophobicContact CE-CG2 4.45Å; M293-V365 HydrophobicContact SD-CG1 4.32Å; M293-V365 HydrophobicContact SD-CG2 3.66Å; A315-V365 HydrophobicContact CB-CG2 4.15Å; I316-V365 CarbonylContact O-C 3.55Å; I316-V365 WeakPolarHBondContact O-CA 3.25Å; F317-V365 HydrophobicContact CD1-CB 3.81Å; F317-V365 HydrophobicContact CD1-CG2 3.91Å; F317-V365 HydrophobicContact CD2-CG2 3.85Å; F317-V365 HydrophobicContact CE1-CB 3.85Å; F317-V365 HydrophobicContact CE1-CG1 4.42Å; F317-V365 HydrophobicContact CE1-CG2 3.84Å; F317-V365 HydrophobicContact CE2-CG2 3.78Å; F317-V365 HydrophobicContact CG-CB 4.22Å; F317-V365 HydrophobicContact CG-CG2 3.92Å; F317-V365 HydrophobicContact CZ-CB 4.28Å; F317-V365 HydrophobicContact CZ-CG2 3.78Å
366T96Very high93.4Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-107.6129.8169.4-62.80000109.1T232 G235 V236 G269 A315 I316T232-T366 HydrophobicContact CG2-CG2 4.27Å; G235-T366 VanDerWaalsContact CA-OG1 3.28Å; G235-T366 WeakPolarHBondContact CA-OG1 3.45Å; V236-T366 HydrophobicContact CG2-CG2 3.99Å; G269-T366 WeakPolarHBondContact O-CA 3.37Å; A315-T366 WeakPolarHBondContact CA-O 3.45Å; I316-T366 PolarHBondContact N-O 2.93Å; I316-T366 PolarHBondContact O-N 2.78Å
367F96.5Very high93.8Very high1 Ų131.1 Ų31.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-101.8140.6-179.8180-107000110.4P268 G269 M293 F294 M299 Y310 V313P268-F367 CarbonylContact C-O 3.47Å; P268-F367 VanDerWaalsContact CA-O 3.24Å; P268-F367 WeakPolarHBondContact CA-O 3.39Å; G269-F367 PolarHBondContact N-O 3.15Å; G269-F367 PolarHBondContact O-N 3.07Å; M293-F367 HydrophobicContact CE-CD2 4.46Å; M293-F367 HydrophobicContact CG-CB 3.59Å; M293-F367 HydrophobicContact CG-CD2 3.21Å; M293-F367 HydrophobicContact CG-CE2 4.03Å; M293-F367 HydrophobicContact CG-CG 3.6Å; M293-F367 HydrophobicContact SD-CB 3.78Å; M293-F367 HydrophobicContact SD-CD2 3.49Å; M293-F367 WeakPolarHBondContact SD-CD2 3.39Å; M293-F367 HydrophobicContact SD-CG 4.07Å; F294-F367 HydrophobicContact CE1-CE2 4.21Å; F294-F367 HydrophobicContact CZ-CE2 4.22Å; M299-F367 HydrophobicContact CE-CD1 3.74Å; M299-F367 HydrophobicContact CE-CE1 3.35Å; M299-F367 HydrophobicContact CE-CZ 3.81Å; M299-F367 HydrophobicContact SD-CD1 3.38Å; M299-F367 WeakPolarHBondContact SD-CD1 3.45Å; M299-F367 HydrophobicContact SD-CE1 3.38Å; M299-F367 WeakPolarHBondContact SD-CE1 3.39Å; M299-F367 HydrophobicContact SD-CG 4.43Å; M299-F367 HydrophobicContact SD-CZ 4.4Å; Y310-F367 HydrophobicContact CD1-CZ 4.47Å; Y310-F367 HydrophobicContact CE1-CE1 4.21Å; Y310-F367 AromaticContact CE1-CZ 3.61Å; Y310-F367 HydrophobicContact CE1-CZ 3.61Å; Y310-F367 AromaticContact CZ-CZ 3.89Å; V313-F367 HydrophobicContact CB-CE2 4.33Å; V313-F367 HydrophobicContact CG1-CD2 4.04Å; V313-F367 HydrophobicContact CG1-CE2 3.44Å; V313-F367 VanDerWaalsContact CG1-CE2 3.44Å; V313-F367 HydrophobicContact CG1-CZ 4.31Å; V313-F367 HydrophobicContact CG2-CE2 3.98Å; V313-F367 HydrophobicContact CG2-CZ 4.08Å
368I96.2Very high94.1Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-133.3108.2170.2-49.2173.2000106.3F200 V236 L253 M257 F266 V313 A314 I316F200-I368 HydrophobicContact CD1-CG2 4.45Å; F200-I368 HydrophobicContact CE1-CB 4.43Å; F200-I368 HydrophobicContact CE1-CD1 3.89Å; F200-I368 HydrophobicContact CE1-CG1 3.96Å; F200-I368 HydrophobicContact CE1-CG2 3.67Å; F200-I368 HydrophobicContact CZ-CD1 4.23Å; F200-I368 HydrophobicContact CZ-CG2 4.42Å; V236-I368 HydrophobicContact CG1-CD1 4.26Å; V236-I368 HydrophobicContact CG2-CD1 4Å; V236-I368 HydrophobicContact CG2-CG1 4.22Å; L253-I368 HydrophobicContact CD1-CD1 4.26Å; L253-I368 HydrophobicContact CD2-CD1 4.36Å; M257-I368 HydrophobicContact CE-CB 4.2Å; M257-I368 HydrophobicContact CE-CG2 3.9Å; M257-I368 VanDerWaalsContact CE-O 3.29Å; M257-I368 WeakPolarHBondContact CE-O 3.34Å; F266-I368 HydrophobicContact CB-CG2 3.75Å; F266-I368 HydrophobicContact CD1-CG2 4.1Å; F266-I368 HydrophobicContact CD2-CG2 3.97Å; F266-I368 HydrophobicContact CG-CG2 3.68Å; V313-I368 CarbonylContact C-O 3.49Å; V313-I368 WeakPolarHBondContact CA-O 3.36Å; A314-I368 HydrophobicContact CB-CB 4.23Å; A314-I368 HydrophobicContact CB-CD1 4.43Å; A314-I368 PolarHBondContact N-O 3.45Å; A314-I368 PolarHBondContact O-N 3.41Å; I316-I368 HydrophobicContact CD1-CD1 4.07Å
369G96.2Very high94.5Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-107.7120.7176.200000111.2M267M267-G369 PolarHBondContact N-O 3.42Å; M267-G369 PolarHBondContact O-N 2.99Å
370N97.4Very high95Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-89.9108.8161.3-168.4-15.2000107.6M257 L263 F266 Y310 L311 T312M257-N370 PolarHBondContact O-ND2 3.14Å; L263-N370 PolarHBondContact O-ND2 2.87Å; F266-N370 HydrophobicContact CD1-CB 3.85Å; F266-N370 HydrophobicContact CE1-CB 3.94Å; Y310-N370 CarbonylContact C-O 3.56Å; Y310-N370 WeakPolarHBondContact CA-O 3.33Å; L311-N370 HydrophobicContact CB-CB 4.35Å; L311-N370 PolarHBondContact N-O 3.03Å; T312-N370 PolarHBondContact N-O 3.45Å; T312-N370 PolarHBondContact O-N 2.78Å; T312-N370 VanDerWaalsContact OG1-CB 3.23Å; T312-N370 WeakPolarHBondContact OG1-CB 3.37Å
371S97.4Very high95.4Very high0 Ų021.7 Ų21.70%010%0.097CC..EExtended strand (participates in β ladder)trans-135.5141.3-174.8-176.20000110.7R309 A373 I374R309-S371 WeakPolarHBondContact O-CA 3.36Å; R309-S371 PolarHBondContact O-OG 3.29Å; S371-A373 PolarHBondContact O-N 2.95Å; S371-A373 VanDerWaalsContact O-N 3.12Å; S371-A373 WeakPolarHBondContact OG-CB 3.25Å; S371-A373 PolarHBondContact OG-N 3.46Å; S371-I374 WeakPolarHBondContact O-CB 3.36Å; S371-I374 WeakPolarHBondContact O-CG2 3.45Å; S371-I374 PolarHBondContact O-N 3.05Å; S371-I374 VanDerWaalsContact O-N 3.09Å
372T97.9Very high95.7Very high0 Ų019.7 Ų19.70%09%0.088CC..G310 helixtrans-62.2-18.6172.868.50000112.6G308 R309 L311 I374 Q375 Y422 Q426G308-T372 VanDerWaalsContact CA-OG1 3.32Å; G308-T372 WeakPolarHBondContact CA-OG1 3.44Å; R309-T372 PolarHBondContact N-OG1 3.15Å; R309-T372 PolarHBondContact O-N 3.33Å; L311-T372 HydrophobicContact CD2-CG2 3.84Å; L311-T372 HydrophobicContact CG-CG2 4.2Å; T372-I374 PolarHBondContact O-N 2.98Å; T372-I374 VanDerWaalsContact O-N 3.15Å; T372-Q375 WeakPolarHBondContact O-CB 3.46Å; T372-Q375 WeakPolarHBondContact O-CG 3.42Å; T372-Q375 PolarHBondContact O-N 3.04Å; T372-Q375 VanDerWaalsContact O-N 3.14Å; T372-Y422 HydrophobicContact CG2-CD1 4.21Å; T372-Y422 WeakPolarHBondContact CG2-O 3.47Å; T372-Q426 HydrophobicContact CG2-CB 3.86Å; T372-Q426 HydrophobicContact CG2-CG 4.49Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.41Å; T372-Q426 PolarHBondContact OG1-OE1 3.41Å
373A97.2Very high95.8Very high0 Ų017.5 Ų17.50%08%0.081CC..G310 helixtrans-60.2-20.7173.600000113.3C303 D304 S371 Q375 E376C303-A373 HydrophobicContact CB-CB 4.39Å; C303-A373 WeakPolarHBondContact CB-O 3.49Å; D304-A373 WeakPolarHBondContact O-CB 3.32Å; S371-A373 PolarHBondContact O-N 2.95Å; S371-A373 VanDerWaalsContact O-N 3.12Å; S371-A373 WeakPolarHBondContact OG-CB 3.25Å; S371-A373 PolarHBondContact OG-N 3.46Å; A373-Q375 PolarHBondContact O-N 3.34Å; A373-E376 WeakPolarHBondContact O-CB 3.08Å; A373-E376 WeakPolarHBondContact O-CG 3.46Å; A373-E376 PolarHBondContact O-N 2.93Å
374I97Very high95.8Very high0 Ų019.4 Ų19.40%09%0.089CC..G310 helixtrans-56.6-21.3174.5-163.966.1000112.6C201 F265 M267 A301 S371 T372 E376 L377 F378 Y422C201-I374 HydrophobicContact CB-CD1 4.06Å; F265-I374 HydrophobicContact CB-CG1 4.11Å; M267-I374 HydrophobicContact CG-CD1 3.79Å; A301-I374 HydrophobicContact CB-CD1 4.31Å; S371-I374 WeakPolarHBondContact O-CB 3.36Å; S371-I374 WeakPolarHBondContact O-CG2 3.45Å; S371-I374 PolarHBondContact O-N 3.05Å; S371-I374 VanDerWaalsContact O-N 3.09Å; T372-I374 PolarHBondContact O-N 2.98Å; T372-I374 VanDerWaalsContact O-N 3.15Å; I374-E376 PolarHBondContact O-N 3.46Å; I374-E376 VanDerWaalsContact O-N 3.13Å; I374-L377 HydrophobicContact CD1-CB 4.36Å; I374-L377 HydrophobicContact CD1-CD1 4.27Å; I374-L377 WeakPolarHBondContact O-CB 3.46Å; I374-L377 PolarHBondContact O-N 2.84Å; I374-F378 HydrophobicContact CB-CE2 4.5Å; I374-F378 HydrophobicContact CG1-CE2 3.9Å; I374-F378 HydrophobicContact CG1-CZ 4.09Å; I374-F378 HydrophobicContact CG2-CE2 3.96Å; I374-F378 PolarHBondContact O-N 3.39Å; I374-Y422 HydrophobicContact CG2-CD1 4.12Å; I374-Y422 HydrophobicContact CG2-CD2 4.09Å; I374-Y422 HydrophobicContact CG2-CE1 3.65Å; I374-Y422 HydrophobicContact CG2-CE2 3.66Å; I374-Y422 HydrophobicContact CG2-CG 4.32Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.41Å
375Q96.4Very high95.8Very high8 Ų819.4 Ų19.44%0.0379%0.089CC..Hα-helixtrans-55.7-27.8172.674.5175.3-28.100113.5T372 A373 L377 F378 K379 V419T372-Q375 WeakPolarHBondContact O-CB 3.46Å; T372-Q375 WeakPolarHBondContact O-CG 3.42Å; T372-Q375 PolarHBondContact O-N 3.04Å; T372-Q375 VanDerWaalsContact O-N 3.14Å; A373-Q375 PolarHBondContact O-N 3.34Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 2.85Å; Q375-F378 PolarHBondContact O-N 3.38Å; Q375-K379 WeakPolarHBondContact O-CB 3.49Å; Q375-K379 VanDerWaalsContact O-CG 3.23Å; Q375-K379 WeakPolarHBondContact O-CG 3.4Å; Q375-K379 PolarHBondContact O-N 3.03Å; Q375-V419 HydrophobicContact CB-CG1 4.36Å; Q375-V419 HydrophobicContact CB-CG2 4.43Å
376E95.4Very high95.8Very high59 Ų5920.6 Ų20.628%0.27610%0.096SC..Hα-helixtrans-62-39.2176.9-66.2-170.5145.500111.6C303 D304 H307 A373 I374 R380C303-E376 WeakPolarHBondContact CA-OE2 3.44Å; C303-E376 HydrophobicContact CB-CB 4.47Å; D304-E376 PolarHBondContact N-OE2 3.08Å; H307-E376 WeakPolarHBondContact CB-OE1 3.35Å; H307-E376 IonicContact CE1-OE1 3.21Å; H307-E376 IonicContact CG-OE1 3.72Å; H307-E376 IonicContact ND1-OE1 2.77Å; H307-E376 PolarHBondContact ND1-OE1 2.66Å; H307-E376 IonicContact ND1-OE2 3.17Å; A373-E376 WeakPolarHBondContact O-CB 3.08Å; A373-E376 WeakPolarHBondContact O-CG 3.46Å; A373-E376 PolarHBondContact O-N 2.93Å; I374-E376 PolarHBondContact O-N 3.46Å; I374-E376 VanDerWaalsContact O-N 3.13Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 3.42Å
377L94.8Very high95.8Very high2 Ų223.1 Ų23.11%0.0112%0.118CC..Hα-helixtrans-63.9-46.5176.4-177.6149.2000110.8V170 C201 A301 I374 Q375 R380 V381V170-L377 HydrophobicContact CB-CD1 4.27Å; V170-L377 HydrophobicContact CG1-CD1 4.1Å; V170-L377 HydrophobicContact CG1-CD2 3.9Å; V170-L377 HydrophobicContact CG1-CG 4.07Å; V170-L377 HydrophobicContact CG2-CD1 3.99Å; V170-L377 HydrophobicContact CG2-CD2 4.19Å; C201-L377 HydrophobicContact CB-CD1 4.41Å; A301-L377 HydrophobicContact CB-CD1 4.43Å; I374-L377 HydrophobicContact CD1-CB 4.36Å; I374-L377 HydrophobicContact CD1-CD1 4.27Å; I374-L377 WeakPolarHBondContact O-CB 3.46Å; I374-L377 PolarHBondContact O-N 2.84Å; Q375-L377 VanDerWaalsContact C-N 3.29Å; Q375-L377 PolarHBondContact O-N 2.85Å; L377-R380 PolarHBondContact O-N 3.27Å; L377-V381 WeakPolarHBondContact O-CG2 3.48Å; L377-V381 PolarHBondContact O-N 3.06Å; L377-V381 VanDerWaalsContact O-N 3.13Å
378F96.2Very high95.7Very high1 Ų124.5 Ų24.50%0.00412%0.124CC..Hα-helixtrans-67.8-41.9178.9-58.4-48.1000112.4V189 F265 I374 Q375 R380 V381 S382 M415 L418 V419 Y422V189-F378 HydrophobicContact CG1-CD1 4.17Å; V189-F378 HydrophobicContact CG1-CE1 3.98Å; V189-F378 HydrophobicContact CG2-CD1 4.32Å; V189-F378 HydrophobicContact CG2-CE1 4.1Å; F265-F378 HydrophobicContact CB-CZ 4.08Å; F265-F378 HydrophobicContact CD1-CE1 4.25Å; F265-F378 AromaticContact CD1-CZ 3.64Å; F265-F378 HydrophobicContact CD1-CZ 3.64Å; F265-F378 HydrophobicContact CD2-CE2 4.4Å; F265-F378 AromaticContact CD2-CZ 3.97Å; F265-F378 HydrophobicContact CD2-CZ 3.97Å; F265-F378 HydrophobicContact CE1-CE1 4.28Å; F265-F378 AromaticContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE1-CZ 3.98Å; F265-F378 HydrophobicContact CE2-CZ 4.29Å; F265-F378 HydrophobicContact CG-CE2 4.32Å; F265-F378 AromaticContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CG-CZ 3.63Å; F265-F378 HydrophobicContact CZ-CZ 4.29Å; I374-F378 HydrophobicContact CB-CE2 4.5Å; I374-F378 HydrophobicContact CG1-CE2 3.9Å; I374-F378 HydrophobicContact CG1-CZ 4.09Å; I374-F378 HydrophobicContact CG2-CE2 3.96Å; I374-F378 PolarHBondContact O-N 3.39Å; Q375-F378 PolarHBondContact O-N 3.38Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.26Å; F378-V381 PolarHBondContact O-N 3.01Å; F378-S382 VanDerWaalsContact O-CB 3.26Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.28Å; F378-M415 HydrophobicContact CB-CG 4.1Å; F378-M415 HydrophobicContact CB-SD 4.33Å; F378-L418 HydrophobicContact CD2-CD2 3.89Å; F378-L418 HydrophobicContact CE1-CD2 4.38Å; F378-L418 HydrophobicContact CE2-CD2 3.61Å; F378-L418 HydrophobicContact CE2-CG 4.4Å; F378-L418 HydrophobicContact CG-CD2 4.41Å; F378-L418 HydrophobicContact CZ-CD2 3.89Å; F378-V419 HydrophobicContact CB-CG2 3.66Å; F378-V419 HydrophobicContact CD2-CG2 4.49Å; F378-Y422 AromaticContact CE2-CE2 3.94Å; F378-Y422 HydrophobicContact CE2-CE2 3.94Å
379K95.6Very high95.7Very high78 Ų7826 Ų2634%0.33913%0.131SC..Hα-helixtrans-58.4-44174.5-74.2173.4-172.2175.70111.1Q375 V381 S382 E383 V419Q375-K379 WeakPolarHBondContact O-CB 3.49Å; Q375-K379 VanDerWaalsContact O-CG 3.23Å; Q375-K379 WeakPolarHBondContact O-CG 3.4Å; Q375-K379 PolarHBondContact O-N 3.03Å; K379-V381 PolarHBondContact O-N 3.41Å; K379-S382 PolarHBondContact O-N 3.09Å; K379-E383 WeakPolarHBondContact O-CB 3.3Å; K379-E383 VanDerWaalsContact O-CG 3.31Å; K379-E383 WeakPolarHBondContact O-CG 3.22Å; K379-E383 PolarHBondContact O-N 3.46Å; K379-V419 HydrophobicContact CD-CG1 4.33Å; K379-V419 HydrophobicContact CG-CG1 4.08Å; K379-V419 HydrophobicContact CG-CG2 4.3Å
380R93.8Very high95.7Very high43 Ų4335.9 Ų35.916%0.16217%0.168CC..Hα-helixtrans-62.2-42.9177.7-174.9-175.364.9-158-7.1112.6D203 E205 E376 L377 F378 Q384D203-R380 IonicContact OD1-NH2 2.61Å; D203-R380 IonicContact OD2-CZ 3.94Å; D203-R380 VanDerWaalsContact OD2-CZ 3.27Å; D203-R380 IonicContact OD2-NH1 3.79Å; D203-R380 PolarHBondContact OD2-NH1 3.39Å; D203-R380 IonicContact OD2-NH2 3.65Å; D203-R380 PolarHBondContact OD2-NH2 3.31Å; E205-R380 IonicContact OE2-NH1 2.61Å; E376-R380 WeakPolarHBondContact O-CB 3.5Å; E376-R380 PolarHBondContact O-N 3.42Å; L377-R380 PolarHBondContact O-N 3.27Å; F378-R380 VanDerWaalsContact C-N 3.32Å; F378-R380 PolarHBondContact O-N 3.26Å; R380-Q384 WeakPolarHBondContact O-CG 3.33Å; R380-Q384 PolarHBondContact O-N 3.44Å
381V94Very high95.6Very high5 Ų546 Ų463%0.0321%0.206CC..Hα-helixtrans-65.6-45.9175.8172.80000110.4V170 A185 L377 F378 K379 E383 Q384 F385 M415V170-V381 HydrophobicContact CG1-CG2 4.4Å; A185-V381 HydrophobicContact CB-CG1 3.78Å; A185-V381 HydrophobicContact CB-CG2 4.49Å; L377-V381 WeakPolarHBondContact O-CG2 3.48Å; L377-V381 PolarHBondContact O-N 3.06Å; L377-V381 VanDerWaalsContact O-N 3.13Å; F378-V381 PolarHBondContact O-N 3.01Å; K379-V381 PolarHBondContact O-N 3.41Å; V381-E383 PolarHBondContact O-N 3.02Å; V381-Q384 PolarHBondContact O-N 3Å; V381-F385 WeakPolarHBondContact O-CB 3.42Å; V381-F385 PolarHBondContact O-N 2.74Å; V381-M415 HydrophobicContact CB-SD 4.44Å; V381-M415 HydrophobicContact CG1-CE 4.5Å; V381-M415 HydrophobicContact CG1-SD 4.25Å
382S94.7Very high95.5Very high10 Ų1051.9 Ų51.97%0.0723%0.232CC..Hα-helixtrans-58.8-46.2178.3-172.50000112.1F378 K379 Q384 F385 T386 N416F378-S382 VanDerWaalsContact O-CB 3.26Å; F378-S382 WeakPolarHBondContact O-CB 3.49Å; F378-S382 PolarHBondContact O-N 3.28Å; K379-S382 PolarHBondContact O-N 3.09Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; S382-Q384 PolarHBondContact O-N 2.64Å; S382-F385 WeakPolarHBondContact O-CB 3.48Å; S382-F385 PolarHBondContact O-N 3.04Å; S382-T386 WeakPolarHBondContact O-CB 3.19Å; S382-T386 PolarHBondContact O-N 3.4Å; S382-T386 PolarHBondContact O-OG1 2.89Å; S382-N416 PolarHBondContact OG-OD1 2.87Å
383E94.6Very high95.4Very high140 Ų14053.2 Ų53.265%0.65424%0.243SC*.Hα-helixtrans-58.6-42.7177.9-76.6174.5-17300112.9K379 V381 A387K379-E383 WeakPolarHBondContact O-CB 3.3Å; K379-E383 VanDerWaalsContact O-CG 3.31Å; K379-E383 WeakPolarHBondContact O-CG 3.22Å; K379-E383 PolarHBondContact O-N 3.46Å; V381-E383 PolarHBondContact O-N 3.02Å; E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 3.48Å; E383-A387 VanDerWaalsContact O-N 3.12Å
384Q93.8Very high95.3Very high59 Ų5956.4 Ų56.428%0.27626%0.257SS..Hα-helixtrans-69.5-42.7178.1-67.3171.810.100111.3P173 P182 R380 V381 S382 A387 M388P173-Q384 VanDerWaalsContact CG-NE2 3.25Å; P182-Q384 HydrophobicContact CB-CB 3.84Å; P182-Q384 HydrophobicContact CG-CB 3.68Å; R380-Q384 WeakPolarHBondContact O-CG 3.33Å; R380-Q384 PolarHBondContact O-N 3.44Å; V381-Q384 PolarHBondContact O-N 3Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; S382-Q384 PolarHBondContact O-N 2.64Å; Q384-A387 PolarHBondContact O-N 3.1Å; Q384-M388 WeakPolarHBondContact O-CG 3.36Å; Q384-M388 PolarHBondContact O-N 2.82Å
385F95.5Very high95.2Very high0 Ų056.9 Ų56.90%026%0.259CS..Hα-helixtrans-55.6-55.5173.5174.7-81.5000110.9P182 Y183 T186 V381 S382 A387 M388 F389 F408 E412P182-F385 HydrophobicContact CB-CB 4.33Å; Y183-F385 AromaticContact CD1-CD2 3.47Å; Y183-F385 HydrophobicContact CD1-CD2 3.47Å; Y183-F385 VanDerWaalsContact CD1-CD2 3.47Å; Y183-F385 AromaticContact CD1-CE2 3.52Å; Y183-F385 HydrophobicContact CD1-CE2 3.52Å; Y183-F385 HydrophobicContact CD1-CG 4.33Å; Y183-F385 HydrophobicContact CD1-CZ 4.39Å; Y183-F385 HydrophobicContact CE1-CD2 4.06Å; Y183-F385 HydrophobicContact CE1-CE2 4.05Å; T186-F385 VanDerWaalsContact CB-CD2 3.47Å; T186-F385 HydrophobicContact CG2-CD2 3.64Å; T186-F385 HydrophobicContact CG2-CE2 3.63Å; T186-F385 HydrophobicContact CG2-CG 4.23Å; T186-F385 HydrophobicContact CG2-CZ 4.25Å; T186-F385 WeakPolarHBondContact OG1-CD2 3.43Å; V381-F385 WeakPolarHBondContact O-CB 3.42Å; V381-F385 PolarHBondContact O-N 2.74Å; S382-F385 WeakPolarHBondContact O-CB 3.48Å; S382-F385 PolarHBondContact O-N 3.04Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.98Å; F385-M388 PolarHBondContact O-N 3.28Å; F385-F389 HydrophobicContact CD1-CB 4.23Å; F385-F389 HydrophobicContact CE1-CB 3.89Å; F385-F389 HydrophobicContact CE1-CD1 4.42Å; F385-F389 HydrophobicContact CE1-CD2 4.35Å; F385-F389 AromaticContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CZ-CB 4.4Å; F385-F389 HydrophobicContact CZ-CD2 4.16Å; F385-F389 HydrophobicContact CZ-CG 4.25Å; F385-F389 WeakPolarHBondContact O-CB 3.39Å; F385-F389 PolarHBondContact O-N 3.33Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 3.99Å; F385-F408 AromaticContact CZ-CD1 3.94Å; F385-F408 HydrophobicContact CZ-CD1 3.94Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F385-E412 HydrophobicContact CD1-CB 4.16Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.78Å; F385-E412 HydrophobicContact CZ-CB 4.08Å
386T96.2Very high95.2Very high26 Ų2662.4 Ų62.416%0.1629%0.285CS..Hα-helixtrans-59.1-40-177.5-57.30000111S382 M388 F389 R390 E412S382-T386 WeakPolarHBondContact O-CB 3.19Å; S382-T386 PolarHBondContact O-N 3.4Å; S382-T386 PolarHBondContact O-OG1 2.89Å; T386-M388 VanDerWaalsContact C-N 3.33Å; T386-M388 PolarHBondContact O-N 3.31Å; T386-F389 PolarHBondContact O-N 2.93Å; T386-R390 HydrophobicContact CG2-CG 4.17Å; T386-R390 VanDerWaalsContact CG2-NE 3.28Å; T386-R390 WeakPolarHBondContact O-CB 3.48Å; T386-R390 WeakPolarHBondContact O-CG 3.31Å; T386-R390 PolarHBondContact O-N 3.08Å; T386-E412 PolarHBondContact OG1-OE1 2.97Å
387A94.5Very high95.3Very high54 Ų5465 Ų6545%0.44629%0.292SS..Hα-helixtrans-62.3-38.6178.100000112.7E383 Q384 F385E383-A387 WeakPolarHBondContact O-CB 3.25Å; E383-A387 PolarHBondContact O-N 3.48Å; E383-A387 VanDerWaalsContact O-N 3.12Å; Q384-A387 PolarHBondContact O-N 3.1Å; F385-A387 VanDerWaalsContact C-N 3.27Å; F385-A387 PolarHBondContact O-N 2.98Å
388M95Very high95.4Very high30 Ų3064.9 Ų64.915%0.14829%0.292CS..Hα-helixtrans-74.9-47175.7-67.7-178.362.700112V179 P182 Y183 Q384 F385 T386 R390 R391 K392 A393 F394V179-M388 WeakPolarHBondContact O-CE 3.36Å; V179-M388 VanDerWaalsContact O-SD 3.39Å; P182-M388 HydrophobicContact CB-SD 4.1Å; P182-M388 HydrophobicContact CG-SD 3.74Å; Y183-M388 HydrophobicContact CD2-CE 4.18Å; Y183-M388 HydrophobicContact CE1-CB 3.95Å; Y183-M388 HydrophobicContact CE2-CE 3.87Å; Y183-M388 PolarHBondContact OH-O 3.15Å; Q384-M388 WeakPolarHBondContact O-CG 3.36Å; Q384-M388 PolarHBondContact O-N 2.82Å; F385-M388 PolarHBondContact O-N 3.28Å; T386-M388 VanDerWaalsContact C-N 3.33Å; T386-M388 PolarHBondContact O-N 3.31Å; M388-R390 PolarHBondContact O-N 2.81Å; M388-R391 PolarHBondContact O-N 3.25Å; M388-R391 VanDerWaalsContact O-N 3.08Å; M388-K392 PolarHBondContact O-N 3.45Å; M388-A393 HydrophobicContact CB-CB 4.48Å; M388-A393 PolarHBondContact O-N 3.26Å; M388-A393 VanDerWaalsContact O-N 3.15Å; M388-F394 HydrophobicContact CE-CD2 3.83Å; M388-F394 HydrophobicContact CE-CE2 4.39Å
389F96.2Very high95.5Very high31 Ų3167.6 Ų67.614%0.13631%0.308CS..Hα-helixtrans-62.5-43.5-175-168.1-108.6000111.8Y183 F385 T386 R391 K392 L395 E405 F408 T409Y183-F389 HydrophobicContact CE1-CB 4.1Å; Y183-F389 HydrophobicContact CE1-CD2 4.25Å; Y183-F389 WeakPolarHBondContact OH-CA 3.46Å; Y183-F389 PolarHBondContact OH-N 3.15Å; F385-F389 HydrophobicContact CD1-CB 4.23Å; F385-F389 HydrophobicContact CE1-CB 3.89Å; F385-F389 HydrophobicContact CE1-CD1 4.42Å; F385-F389 HydrophobicContact CE1-CD2 4.35Å; F385-F389 AromaticContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CE1-CG 3.97Å; F385-F389 HydrophobicContact CZ-CB 4.4Å; F385-F389 HydrophobicContact CZ-CD2 4.16Å; F385-F389 HydrophobicContact CZ-CG 4.25Å; F385-F389 WeakPolarHBondContact O-CB 3.39Å; F385-F389 PolarHBondContact O-N 3.33Å; T386-F389 PolarHBondContact O-N 2.93Å; F389-R391 PolarHBondContact O-N 3.06Å; F389-R391 VanDerWaalsContact O-N 3.11Å; F389-K392 WeakPolarHBondContact O-CA 3.28Å; F389-K392 PolarHBondContact O-N 3.08Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.74Å; F389-L395 HydrophobicContact CD2-CG 4.5Å; F389-L395 HydrophobicContact CE2-CD1 3.84Å; F389-L395 HydrophobicContact CE2-CD2 3.91Å; F389-E405 HydrophobicContact CE2-CG 4.4Å; F389-E405 HydrophobicContact CZ-CG 4.28Å; F389-F408 HydrophobicContact CD2-CB 4.05Å; F389-F408 HydrophobicContact CD2-CD1 4.33Å; F389-F408 HydrophobicContact CD2-CG 4.28Å; F389-F408 HydrophobicContact CE2-CB 3.43Å; F389-F408 VanDerWaalsContact CE2-CB 3.43Å; F389-F408 HydrophobicContact CE2-CD1 4.33Å; F389-F408 HydrophobicContact CE2-CD2 4.38Å; F389-F408 AromaticContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CZ-CB 3.96Å; F389-T409 HydrophobicContact CE1-CG2 4.06Å; F389-T409 HydrophobicContact CZ-CG2 4.33Å
390R95.6Very high95.5Very high207 Ų20766.9 Ų66.978%0.78132%0.323SS*.THydrogen-bonded Turntrans-56.7-29.8175.5-77178-178.6176.26.4113.6T386 M388T386-R390 HydrophobicContact CG2-CG 4.17Å; T386-R390 VanDerWaalsContact CG2-NE 3.28Å; T386-R390 WeakPolarHBondContact O-CB 3.48Å; T386-R390 WeakPolarHBondContact O-CG 3.31Å; T386-R390 PolarHBondContact O-N 3.08Å; M388-R390 PolarHBondContact O-N 2.81Å
391R96Very high95.7Very high212 Ų21267.4 Ų67.480%0.833%0.328SS*.THydrogen-bonded Turntrans-92.4-0.6178.4-63.4179-1791792.5112.7M388 F389 A393M388-R391 PolarHBondContact O-N 3.25Å; M388-R391 VanDerWaalsContact O-N 3.08Å; F389-R391 PolarHBondContact O-N 3.06Å; F389-R391 VanDerWaalsContact O-N 3.11Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 3.3Å; R391-A393 VanDerWaalsContact O-N 3.14Å
392K95.5Very high95.7Very high124 Ų12470.1 Ų70.154%0.53936%0.356SS..THydrogen-bonded Turntrans50.131.9-169.3-58.9-166.9174.6-121.10112.6M388 F389 F394 L395 E405M388-K392 PolarHBondContact O-N 3.45Å; F389-K392 WeakPolarHBondContact O-CA 3.28Å; F389-K392 PolarHBondContact O-N 3.08Å; K392-F394 PolarHBondContact O-N 2.98Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.31Å; K392-L395 HydrophobicContact CD-CD1 4.45Å; K392-L395 HydrophobicContact CG-CD1 3.83Å; K392-E405 IonicContact NZ-OE1 2.69Å; K392-E405 PolarHBondContact NZ-OE1 3.29Å; K392-E405 IonicContact NZ-OE2 3.8Å; K392-E405 PolarHBondContact NZ-OE2 3.22Å
393A95.2Very high95.8Very high28 Ų2869.9 Ų69.923%0.23135%0.354CS..THydrogen-bonded Turntrans-65.6128.9-177.800000108.9Y183 M388 R391 L395Y183-A393 WeakPolarHBondContact CE2-O 3.49Å; Y183-A393 PolarHBondContact OH-O 3.04Å; M388-A393 HydrophobicContact CB-CB 4.48Å; M388-A393 PolarHBondContact O-N 3.26Å; M388-A393 VanDerWaalsContact O-N 3.15Å; R391-A393 HydrophobicContact CB-CB 4.48Å; R391-A393 PolarHBondContact O-N 3.3Å; R391-A393 VanDerWaalsContact O-N 3.14Å; A393-L395 PolarHBondContact O-N 3.33Å
394F95.5Very high95.9Very high68 Ų6866.9 Ų66.930%0.29834%0.343SS..THydrogen-bonded Turntrans57.55.3176.9-47.9-75.4000117.1V179 V180 M388 K392 H396 W397V179-F394 HydrophobicContact CB-CE2 4.27Å; V179-F394 HydrophobicContact CG2-CD2 4.3Å; V179-F394 HydrophobicContact CG2-CE1 4.28Å; V179-F394 HydrophobicContact CG2-CE2 3.8Å; V179-F394 HydrophobicContact CG2-CZ 3.79Å; V180-F394 HydrophobicContact CG1-CB 3.86Å; V180-F394 HydrophobicContact CG1-CD2 4.15Å; V180-F394 HydrophobicContact CG1-CG 3.98Å; M388-F394 HydrophobicContact CE-CD2 3.83Å; M388-F394 HydrophobicContact CE-CE2 4.39Å; K392-F394 PolarHBondContact O-N 2.98Å; F394-H396 PolarHBondContact O-N 3.47Å; F394-W397 HydrophobicContact CB-CD2 4.23Å; F394-W397 HydrophobicContact CB-CE3 4.35Å; F394-W397 HydrophobicContact CB-CG 4.47Å; F394-W397 HydrophobicContact CD1-CD2 4.08Å; F394-W397 AromaticContact CD1-CE2 3.79Å; F394-W397 HydrophobicContact CD1-CE3 4.17Å; F394-W397 AromaticContact CD1-CH2 3.75Å; F394-W397 HydrophobicContact CD1-CH2 3.75Å; F394-W397 AromaticContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ3 4.01Å; F394-W397 AromaticContact CE1-CH2 3.95Å; F394-W397 HydrophobicContact CE1-CH2 3.95Å; F394-W397 AromaticContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ2 3.98Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.38Å; F394-W397 PolarHBondContact O-N 2.97Å
395L95.7Very high95.9Very high9 Ų967.6 Ų67.65%0.04735%0.346CS..Hα-helixtrans-56.7-38.4-178-68.1-174.8000113.2Y183 F389 K392 A393 W397 Y398 T399 F408Y183-L395 HydrophobicContact CE1-CD2 4.19Å; Y183-L395 HydrophobicContact CE2-CD2 3.79Å; Y183-L395 WeakPolarHBondContact OH-CD2 3.47Å; F389-L395 HydrophobicContact CD2-CD1 4.06Å; F389-L395 HydrophobicContact CD2-CD2 3.74Å; F389-L395 HydrophobicContact CD2-CG 4.5Å; F389-L395 HydrophobicContact CE2-CD1 3.84Å; F389-L395 HydrophobicContact CE2-CD2 3.91Å; K392-L395 HydrophobicContact CB-CD1 3.73Å; K392-L395 HydrophobicContact CB-CG 4.31Å; K392-L395 HydrophobicContact CD-CD1 4.45Å; K392-L395 HydrophobicContact CG-CD1 3.83Å; A393-L395 PolarHBondContact O-N 3.33Å; L395-W397 PolarHBondContact O-N 3.32Å; L395-W397 VanDerWaalsContact O-N 3.07Å; L395-Y398 PolarHBondContact O-N 2.8Å; L395-T399 PolarHBondContact O-N 2.95Å; L395-F408 HydrophobicContact CD2-CD1 4.32Å; L395-F408 HydrophobicContact CD2-CD2 4.44Å; L395-F408 HydrophobicContact CD2-CE1 4.05Å; L395-F408 HydrophobicContact CD2-CE2 4.17Å; L395-F408 HydrophobicContact CD2-CZ 3.96Å
396H95.8Very high96Very high125 Ų12573.2 Ų73.258%0.57937%0.373SS*.Hα-helixtrans-59.5-19.2177.367.2-74.8000114.1F394 Y398 T399 G400F394-H396 PolarHBondContact O-N 3.47Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; H396-T399 WeakPolarHBondContact CA-OG1 3.45Å; H396-G400 PolarHBondContact O-N 3.47Å; H396-G400 VanDerWaalsContact O-N 3.08Å
397W96.7Very high96Very high113 Ų11374.1 Ų74.143%0.42838%0.376SS..Hα-helixtrans-71.4-31.5172.9-64.13.6000111.3N100 V180 F394 L395 E401N100-W397 PolarHBondContact ND2-O 3.22Å; V180-W397 HydrophobicContact CG1-CE3 4.12Å; V180-W397 HydrophobicContact CG1-CZ3 4.21Å; F394-W397 HydrophobicContact CB-CD2 4.23Å; F394-W397 HydrophobicContact CB-CE3 4.35Å; F394-W397 HydrophobicContact CB-CG 4.47Å; F394-W397 HydrophobicContact CD1-CD2 4.08Å; F394-W397 AromaticContact CD1-CE2 3.79Å; F394-W397 HydrophobicContact CD1-CE3 4.17Å; F394-W397 AromaticContact CD1-CH2 3.75Å; F394-W397 HydrophobicContact CD1-CH2 3.75Å; F394-W397 AromaticContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ2 3.63Å; F394-W397 HydrophobicContact CD1-CZ3 4.01Å; F394-W397 AromaticContact CE1-CH2 3.95Å; F394-W397 HydrophobicContact CE1-CH2 3.95Å; F394-W397 AromaticContact CE1-CZ2 3.98Å; F394-W397 HydrophobicContact CE1-CZ2 3.98Å; F394-W397 VanDerWaalsContact O-CB 3.29Å; F394-W397 WeakPolarHBondContact O-CB 3.38Å; F394-W397 PolarHBondContact O-N 2.97Å; L395-W397 PolarHBondContact O-N 3.32Å; L395-W397 VanDerWaalsContact O-N 3.07Å; W397-E401 WeakPolarHBondContact O-CG 3.46Å
398Y98.2Very high96.2Very high0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-88.2-47.4-179.5-67.6-109.2000110.9N100 W101 A102 V180 Y183 N184 L187 L395 H396 G400 E401 M403 F408N100-Y398 WeakPolarHBondContact OD1-CD1 3.49Å; N100-Y398 WeakPolarHBondContact OD1-CE1 3.4Å; W101-Y398 HydrophobicContact CB-CE1 3.98Å; A102-Y398 HydrophobicContact CB-CD1 3.8Å; A102-Y398 HydrophobicContact CB-CG 4.25Å; V180-Y398 HydrophobicContact CB-CE2 4.29Å; V180-Y398 VanDerWaalsContact CB-OH 3.3Å; V180-Y398 WeakPolarHBondContact CB-OH 3.24Å; V180-Y398 HydrophobicContact CG1-CE2 4.37Å; V180-Y398 WeakPolarHBondContact CG2-OH 3.15Å; V180-Y398 PolarHBondContact O-OH 2.73Å; Y183-Y398 HydrophobicContact CD2-CD2 4.32Å; Y183-Y398 AromaticContact CD2-CE2 3.68Å; Y183-Y398 HydrophobicContact CD2-CE2 3.68Å; Y183-Y398 AromaticContact CD2-CZ 3.99Å; Y183-Y398 HydrophobicContact CE2-CE2 4.49Å; Y183-Y398 HydrophobicContact CG-CE2 4.47Å; N184-Y398 WeakPolarHBondContact OD1-CE1 3.28Å; N184-Y398 PolarHBondContact OD1-OH 3.04Å; L187-Y398 HydrophobicContact CD1-CD1 4.14Å; L187-Y398 HydrophobicContact CD1-CE1 4.04Å; L395-Y398 PolarHBondContact O-N 2.8Å; H396-Y398 VanDerWaalsContact C-N 3.33Å; Y398-G400 PolarHBondContact O-N 3.34Å; Y398-E401 WeakPolarHBondContact O-CB 3.5Å; Y398-E401 PolarHBondContact O-N 3.43Å; Y398-M403 HydrophobicContact CD1-SD 4.02Å; Y398-M403 HydrophobicContact CG-SD 4.5Å; Y398-M403 WeakPolarHBondContact O-CB 3.39Å; Y398-F408 HydrophobicContact CD1-CE1 4.34Å; Y398-F408 AromaticContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD2-CZ 4.05Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.36Å; Y398-F408 AromaticContact CG-CZ 3.52Å; Y398-F408 HydrophobicContact CG-CZ 3.52Å
399T97Very high96.3Very high57 Ų5773.2 Ų73.235%0.3537%0.366SS..Hα-helixtrans-66.3-26.2178.1660000112.2L395 H396 E401 G402 M403L395-T399 PolarHBondContact O-N 2.95Å; H396-T399 WeakPolarHBondContact CA-OG1 3.45Å; T399-E401 PolarHBondContact O-N 2.82Å; T399-G402 PolarHBondContact O-N 3.14Å; T399-G402 VanDerWaalsContact O-N 3.15Å; T399-M403 WeakPolarHBondContact CA-O 3.36Å
400G96.5Very high96.4Very high63 Ų6377.3 Ų77.365%0.64939%0.386SS*.THydrogen-bonded Turntrans-64.5-22.6172.300000113.9H396 Y398 G402H396-G400 PolarHBondContact O-N 3.47Å; H396-G400 VanDerWaalsContact O-N 3.08Å; Y398-G400 PolarHBondContact O-N 3.34Å; G400-G402 VanDerWaalsContact C-N 3.33Å
401E96.6Very high96.5Very high55 Ų5567.5 Ų67.526%0.25735%0.349SS..THydrogen-bonded Turntrans-91.64.8175.9-57.4-68.2152.100112.1A102 K103 T107 W397 Y398 T399A102-E401 HydrophobicContact CB-CB 3.92Å; A102-E401 HydrophobicContact CB-CG 4.37Å; K103-E401 HydrophobicContact CB-CG 4.04Å; T107-E401 WeakPolarHBondContact CB-OE2 3.36Å; T107-E401 HydrophobicContact CG2-CB 4.16Å; T107-E401 WeakPolarHBondContact CG2-OE2 3.37Å; T107-E401 PolarHBondContact OG1-OE2 2.93Å; W397-E401 WeakPolarHBondContact O-CG 3.46Å; Y398-E401 WeakPolarHBondContact O-CB 3.5Å; Y398-E401 PolarHBondContact O-N 3.43Å; T399-E401 PolarHBondContact O-N 2.82Å
402G94.7Very high96.5Very high61 Ų6158.9 Ų58.963%0.62932%0.318SS*.THydrogen-bonded Turntrans97.70.5176.700000115.8T399 G400T399-G402 PolarHBondContact O-N 3.14Å; T399-G402 VanDerWaalsContact O-N 3.15Å; G400-G402 VanDerWaalsContact C-N 3.33Å
403M97.4Very high96.6Very high6 Ų655.7 Ų55.73%0.0331%0.311CS..  trans-70.8139.6175.8-175.8179.8169.900112W101 A102 Y106 L187 Y398 T399 E407 F408W101-M403 HydrophobicContact CE3-SD 4.16Å; W101-M403 HydrophobicContact CZ3-CE 4.49Å; W101-M403 HydrophobicContact CZ3-SD 4.07Å; A102-M403 HydrophobicContact CB-CB 4.01Å; A102-M403 HydrophobicContact CB-SD 4Å; Y106-M403 HydrophobicContact CD2-CB 3.9Å; Y106-M403 HydrophobicContact CD2-CG 4.43Å; Y106-M403 HydrophobicContact CE2-CB 3.7Å; Y106-M403 HydrophobicContact CE2-CG 3.78Å; Y106-M403 HydrophobicContact CE2-SD 4.49Å; L187-M403 HydrophobicContact CD1-CE 3.66Å; L187-M403 HydrophobicContact CD1-SD 4.04Å; L187-M403 HydrophobicContact CD2-CE 3.35Å; L187-M403 HydrophobicContact CG-CE 4.15Å; Y398-M403 HydrophobicContact CD1-SD 4.02Å; Y398-M403 HydrophobicContact CG-SD 4.5Å; Y398-M403 WeakPolarHBondContact O-CB 3.39Å; T399-M403 WeakPolarHBondContact CA-O 3.36Å; M403-E407 HydrophobicContact CE-CB 3.55Å; M403-E407 HydrophobicContact CG-CB 4.43Å; M403-E407 WeakPolarHBondContact CG-OE1 3.46Å; M403-F408 HydrophobicContact CE-CD1 4.42Å; M403-F408 HydrophobicContact CE-CD2 3.6Å; M403-F408 HydrophobicContact CE-CE1 4.32Å; M403-F408 HydrophobicContact CE-CE2 3.48Å; M403-F408 VanDerWaalsContact CE-CE2 3.48Å; M403-F408 HydrophobicContact CE-CG 4.09Å; M403-F408 HydrophobicContact CE-CZ 3.87Å; M403-F408 HydrophobicContact SD-CD2 4.45Å; M403-F408 HydrophobicContact SD-CE2 3.76Å; M403-F408 HydrophobicContact SD-CZ 4Å
404D96.4Very high96.8Very high77 Ų7755.1 Ų55.141%0.41231%0.305SS..  trans-78.8142.1174.5-163.1-41.9000110.9M406 E407D404-M406 PolarHBondContact O-N 3.06Å; D404-M406 PolarHBondContact OD1-N 3.27Å; D404-M406 WeakPolarHBondContact OD2-CE 3.29Å; D404-E407 HydrophobicContact CB-CG 4.24Å; D404-E407 PolarHBondContact N-OE1 3Å; D404-E407 WeakPolarHBondContact O-CB 3.4Å; D404-E407 PolarHBondContact O-N 2.89Å
405E94.4Very high96.9Very high74 Ų7452 Ų5235%0.34629%0.291SS..Hα-helixtrans-61.8-28174.2-170174.7168.100111.3F389 K392 E407 F408F389-E405 HydrophobicContact CE2-CG 4.4Å; F389-E405 HydrophobicContact CZ-CG 4.28Å; K392-E405 IonicContact NZ-OE1 2.69Å; K392-E405 PolarHBondContact NZ-OE1 3.29Å; K392-E405 IonicContact NZ-OE2 3.8Å; K392-E405 PolarHBondContact NZ-OE2 3.22Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.94Å; E405-F408 WeakPolarHBondContact O-CB 3.42Å; E405-F408 PolarHBondContact O-N 3.18Å
406M96.2Very high97Very high117 Ų11754.6 Ų54.658%0.57631%0.305SS*.Hα-helixtrans-63.9-31.2178-73.5-174-83.800113.1D404 F408 T409 E410D404-M406 PolarHBondContact O-N 3.06Å; D404-M406 PolarHBondContact OD1-N 3.27Å; D404-M406 WeakPolarHBondContact OD2-CE 3.29Å; M406-F408 PolarHBondContact O-N 2.74Å; M406-T409 WeakPolarHBondContact CA-OG1 3.44Å; M406-T409 PolarHBondContact O-N 3.43Å; M406-T409 VanDerWaalsContact O-N 3.1Å; M406-T409 PolarHBondContact O-OG1 2.91Å; M406-E410 PolarHBondContact O-N 3.15Å
407E97.6Very high97.1Very high46 Ų4652.4 Ų52.422%0.21530%0.297CS..Hα-helixtrans-62.5-31.6178.4-66.5175.8-119.700112.4Y106 M403 D404 E405 E410 A411Y106-E407 PolarHBondContact OH-OE1 3.45Å; Y106-E407 PolarHBondContact OH-OE2 3.07Å; M403-E407 HydrophobicContact CE-CB 3.55Å; M403-E407 HydrophobicContact CG-CB 4.43Å; M403-E407 WeakPolarHBondContact CG-OE1 3.46Å; D404-E407 HydrophobicContact CB-CG 4.24Å; D404-E407 PolarHBondContact N-OE1 3Å; D404-E407 WeakPolarHBondContact O-CB 3.4Å; D404-E407 PolarHBondContact O-N 2.89Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.94Å; E407-E410 PolarHBondContact O-N 2.88Å; E407-A411 WeakPolarHBondContact O-CB 3.36Å; E407-A411 PolarHBondContact O-N 3.41Å
408F97.8Very high97.1Very high0 Ų047 Ų470%028%0.277CS..Hα-helixtrans-62-46.8173.6-77.3-85.5000111.5Y183 L187 F385 F389 L395 Y398 M403 E405 M406 A411 E412Y183-F408 HydrophobicContact CD1-CD1 4.07Å; Y183-F408 AromaticContact CD1-CE1 3.83Å; Y183-F408 HydrophobicContact CD1-CE1 3.83Å; Y183-F408 HydrophobicContact CD2-CE1 4.12Å; Y183-F408 HydrophobicContact CE1-CD1 4.41Å; Y183-F408 HydrophobicContact CE1-CE1 4.31Å; Y183-F408 HydrophobicContact CG-CD1 4.43Å; Y183-F408 AromaticContact CG-CE1 3.74Å; Y183-F408 HydrophobicContact CG-CE1 3.74Å; L187-F408 HydrophobicContact CD1-CE1 4.1Å; L187-F408 HydrophobicContact CD1-CZ 4.46Å; F385-F408 AromaticContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CE2-CD1 3.79Å; F385-F408 HydrophobicContact CZ-CB 3.99Å; F385-F408 AromaticContact CZ-CD1 3.94Å; F385-F408 HydrophobicContact CZ-CD1 3.94Å; F385-F408 HydrophobicContact CZ-CG 4.49Å; F385-F408 WeakPolarHBondContact CZ-O 3.44Å; F389-F408 HydrophobicContact CD2-CB 4.05Å; F389-F408 HydrophobicContact CD2-CD1 4.33Å; F389-F408 HydrophobicContact CD2-CG 4.28Å; F389-F408 HydrophobicContact CE2-CB 3.43Å; F389-F408 VanDerWaalsContact CE2-CB 3.43Å; F389-F408 HydrophobicContact CE2-CD1 4.33Å; F389-F408 HydrophobicContact CE2-CD2 4.38Å; F389-F408 AromaticContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CE2-CG 3.82Å; F389-F408 HydrophobicContact CZ-CB 3.96Å; L395-F408 HydrophobicContact CD2-CD1 4.32Å; L395-F408 HydrophobicContact CD2-CD2 4.44Å; L395-F408 HydrophobicContact CD2-CE1 4.05Å; L395-F408 HydrophobicContact CD2-CE2 4.17Å; L395-F408 HydrophobicContact CD2-CZ 3.96Å; Y398-F408 HydrophobicContact CD1-CE1 4.34Å; Y398-F408 AromaticContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD1-CZ 3.73Å; Y398-F408 HydrophobicContact CD2-CZ 4.05Å; Y398-F408 HydrophobicContact CE1-CZ 4.44Å; Y398-F408 HydrophobicContact CG-CE1 4.4Å; Y398-F408 HydrophobicContact CG-CE2 4.36Å; Y398-F408 AromaticContact CG-CZ 3.52Å; Y398-F408 HydrophobicContact CG-CZ 3.52Å; M403-F408 HydrophobicContact CE-CD1 4.42Å; M403-F408 HydrophobicContact CE-CD2 3.6Å; M403-F408 HydrophobicContact CE-CE1 4.32Å; M403-F408 HydrophobicContact CE-CE2 3.48Å; M403-F408 VanDerWaalsContact CE-CE2 3.48Å; M403-F408 HydrophobicContact CE-CG 4.09Å; M403-F408 HydrophobicContact CE-CZ 3.87Å; M403-F408 HydrophobicContact SD-CD2 4.45Å; M403-F408 HydrophobicContact SD-CE2 3.76Å; M403-F408 HydrophobicContact SD-CZ 4Å; E405-F408 WeakPolarHBondContact O-CB 3.42Å; E405-F408 PolarHBondContact O-N 3.18Å; M406-F408 PolarHBondContact O-N 2.74Å; F408-A411 PolarHBondContact O-N 3.37Å; F408-E412 WeakPolarHBondContact O-CB 3.48Å; F408-E412 PolarHBondContact O-N 2.76Å
409T96.8Very high97.1Very high64 Ų6447.7 Ų47.739%0.39328%0.281SS..Hα-helixtrans-66.6-37.7178.220.80000112.4F389 M406 S413F389-T409 HydrophobicContact CE1-CG2 4.06Å; F389-T409 HydrophobicContact CZ-CG2 4.33Å; M406-T409 WeakPolarHBondContact CA-OG1 3.44Å; M406-T409 PolarHBondContact O-N 3.43Å; M406-T409 VanDerWaalsContact O-N 3.1Å; M406-T409 PolarHBondContact O-OG1 2.91Å; T409-S413 WeakPolarHBondContact O-CB 3.38Å; T409-S413 PolarHBondContact O-N 2.84Å
410E97.9Very high97.2Very high118 Ų11848.4 Ų48.455%0.55129%0.288SS*.Hα-helixtrans-65.4-42.4175-70.5178.5-179.300111.6M406 E407 S413 N414M406-E410 PolarHBondContact O-N 3.15Å; E407-E410 PolarHBondContact O-N 2.88Å; E410-S413 PolarHBondContact O-N 2.79Å; E410-N414 WeakPolarHBondContact O-CB 3.16Å; E410-N414 PolarHBondContact O-N 2.77Å
411A97.9Very high97.2Very high0 Ų047.5 Ų47.50%027%0.267CS..Hα-helixtrans-65-44176.300000112.6T186 L187 H190 E407 F408 N414 M415T186-A411 HydrophobicContact CG2-CB 3.88Å; L187-A411 HydrophobicContact CD2-CB 3.8Å; H190-A411 HydrophobicContact CB-CB 3.71Å; E407-A411 WeakPolarHBondContact O-CB 3.36Å; E407-A411 PolarHBondContact O-N 3.41Å; F408-A411 PolarHBondContact O-N 3.37Å; A411-N414 PolarHBondContact O-N 3.03Å; A411-M415 WeakPolarHBondContact O-CB 3.5Å; A411-M415 PolarHBondContact O-N 2.92Å; A411-M415 VanDerWaalsContact O-N 3.09Å
412E97.5Very high97.3Very high31 Ų3144.9 Ų44.915%0.14526%0.255CS..Hα-helixtrans-61.2-44.4174.2-172-179.2-140.300111.2F385 T386 F408 M415 N416F385-E412 HydrophobicContact CD1-CB 4.16Å; F385-E412 HydrophobicContact CD1-CG 3.92Å; F385-E412 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E412 HydrophobicContact CE1-CB 3.61Å; F385-E412 VanDerWaalsContact CE1-CD 3.46Å; F385-E412 HydrophobicContact CE1-CG 3.78Å; F385-E412 HydrophobicContact CZ-CB 4.08Å; T386-E412 PolarHBondContact OG1-OE1 2.97Å; F408-E412 WeakPolarHBondContact O-CB 3.48Å; F408-E412 PolarHBondContact O-N 2.76Å; E412-M415 PolarHBondContact O-N 3.2Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 3.12Å; E412-N416 PolarHBondContact O-ND2 3.15Å; E412-N416 VanDerWaalsContact O-ND2 3.15Å
413S97.8Very high97.4Very high58 Ų5844.6 Ų44.641%0.40624%0.237SC..Hα-helixtrans-60.7-50.3177.1-166.70000111.4T409 E410 M415 N416 D417T409-S413 WeakPolarHBondContact O-CB 3.38Å; T409-S413 PolarHBondContact O-N 2.84Å; E410-S413 PolarHBondContact O-N 2.79Å; S413-M415 VanDerWaalsContact C-N 3.27Å; S413-M415 PolarHBondContact O-N 3.43Å; S413-N416 PolarHBondContact O-N 3.22Å; S413-D417 VanDerWaalsContact O-CG 3.3Å; S413-D417 PolarHBondContact O-N 2.79Å
414N98.1Very high97.4Very high16 Ų1650.4 Ų50.49%0.08626%0.264CS..Hα-helixtrans-60.6-37.7-178.5-16516.7000111.8H190 E194 R262 E410 A411 D417 L418H190-N414 WeakPolarHBondContact ND1-CB 3.41Å; H190-N414 PolarHBondContact ND1-ND2 3.47Å; E194-N414 PolarHBondContact OE1-ND2 2.87Å; R262-N414 PolarHBondContact NH1-OD1 3.01Å; R262-N414 PolarHBondContact NH2-OD1 3.06Å; E410-N414 WeakPolarHBondContact O-CB 3.16Å; E410-N414 PolarHBondContact O-N 2.77Å; A411-N414 PolarHBondContact O-N 3.03Å; N414-D417 PolarHBondContact O-N 3.02Å; N414-L418 WeakPolarHBondContact O-CB 3.33Å; N414-L418 PolarHBondContact O-N 2.96Å
415M97.4Very high97.3Very high1 Ų149 Ų491%0.00525%0.254CS..Hα-helixtrans-68.4-38175.5-178.5169.846.100112.5T186 F378 V381 A411 E412 S413 L418 V419T186-M415 HydrophobicContact CG2-CE 3.48Å; T186-M415 VanDerWaalsContact CG2-CE 3.48Å; T186-M415 WeakPolarHBondContact OG1-CE 3.26Å; F378-M415 HydrophobicContact CB-CG 4.1Å; F378-M415 HydrophobicContact CB-SD 4.33Å; V381-M415 HydrophobicContact CB-SD 4.44Å; V381-M415 HydrophobicContact CG1-CE 4.5Å; V381-M415 HydrophobicContact CG1-SD 4.25Å; A411-M415 WeakPolarHBondContact O-CB 3.5Å; A411-M415 PolarHBondContact O-N 2.92Å; A411-M415 VanDerWaalsContact O-N 3.09Å; E412-M415 PolarHBondContact O-N 3.2Å; S413-M415 VanDerWaalsContact C-N 3.27Å; S413-M415 PolarHBondContact O-N 3.43Å; M415-L418 PolarHBondContact O-N 2.9Å; M415-V419 WeakPolarHBondContact O-CG2 3.47Å; M415-V419 PolarHBondContact O-N 3.46Å
416N97.7Very high97.4Very high64 Ų6447.3 Ų47.334%0.34225%0.245SC..Hα-helixtrans-68.3-37174.9-69.8-31.1000112S382 E412 S413 V419 S420S382-N416 PolarHBondContact OG-OD1 2.87Å; E412-N416 VanDerWaalsContact O-CG 3.25Å; E412-N416 PolarHBondContact O-N 3.12Å; E412-N416 PolarHBondContact O-ND2 3.15Å; E412-N416 VanDerWaalsContact O-ND2 3.15Å; S413-N416 PolarHBondContact O-N 3.22Å; N416-V419 PolarHBondContact O-N 3.19Å; N416-S420 WeakPolarHBondContact O-CB 3.3Å; N416-S420 PolarHBondContact O-N 3.29Å; N416-S420 PolarHBondContact O-OG 2.67Å
417D98Very high97.3Very high79 Ų7946.6 Ų46.642%0.42224%0.244SC..Hα-helixtrans-64.7-44.9173.8-66.8-27.3000110.6S413 N414 V419 S420 E421S413-D417 VanDerWaalsContact O-CG 3.3Å; S413-D417 PolarHBondContact O-N 2.79Å; N414-D417 PolarHBondContact O-N 3.02Å; D417-V419 VanDerWaalsContact C-N 3.33Å; D417-V419 PolarHBondContact O-N 2.94Å; D417-S420 CarbonylContact O-C 3.45Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 WeakPolarHBondContact O-CB 3.45Å; D417-S420 PolarHBondContact O-N 2.91Å; D417-E421 PolarHBondContact O-N 2.96Å
418L98.1Very high96.9Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-56.1-45.9173.6179.669.4000112.1V189 V193 R262 L263 F265 F378 N414 M415 S420 E421 Y422V189-L418 HydrophobicContact CG1-CD2 4.37Å; V193-L418 HydrophobicContact CG2-CD1 4.42Å; V193-L418 HydrophobicContact CG2-CD2 3.76Å; R262-L418 HydrophobicContact CB-CD1 4.23Å; R262-L418 WeakPolarHBondContact O-CD1 3.44Å; L263-L418 HydrophobicContact CD2-CD1 4.31Å; F265-L418 HydrophobicContact CD2-CD2 4.3Å; F265-L418 HydrophobicContact CE2-CD1 4.34Å; F265-L418 HydrophobicContact CE2-CD2 3.8Å; F265-L418 HydrophobicContact CZ-CD2 4.31Å; F378-L418 HydrophobicContact CD2-CD2 3.89Å; F378-L418 HydrophobicContact CE1-CD2 4.38Å; F378-L418 HydrophobicContact CE2-CD2 3.61Å; F378-L418 HydrophobicContact CE2-CG 4.4Å; F378-L418 HydrophobicContact CG-CD2 4.41Å; F378-L418 HydrophobicContact CZ-CD2 3.89Å; N414-L418 WeakPolarHBondContact O-CB 3.33Å; N414-L418 PolarHBondContact O-N 2.96Å; M415-L418 PolarHBondContact O-N 2.9Å; L418-S420 VanDerWaalsContact C-N 3.3Å; L418-S420 PolarHBondContact O-N 3.39Å; L418-E421 PolarHBondContact O-N 3.42Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.37Å; L418-Y422 HydrophobicContact CG-CD2 4.06Å; L418-Y422 HydrophobicContact CG-CE2 3.88Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.33Å; L418-Y422 PolarHBondContact O-N 3.26Å
419V98Very high96.3Very high15 Ų1550.9 Ų50.99%0.09128%0.277CS..Hα-helixtrans-60.7-41.7175.4165.40000111.1Q375 F378 K379 M415 N416 D417 Y422 Q423Q375-V419 HydrophobicContact CB-CG1 4.36Å; Q375-V419 HydrophobicContact CB-CG2 4.43Å; F378-V419 HydrophobicContact CB-CG2 3.66Å; F378-V419 HydrophobicContact CD2-CG2 4.49Å; K379-V419 HydrophobicContact CD-CG1 4.33Å; K379-V419 HydrophobicContact CG-CG1 4.08Å; K379-V419 HydrophobicContact CG-CG2 4.3Å; M415-V419 WeakPolarHBondContact O-CG2 3.47Å; M415-V419 PolarHBondContact O-N 3.46Å; N416-V419 PolarHBondContact O-N 3.19Å; D417-V419 VanDerWaalsContact C-N 3.33Å; D417-V419 PolarHBondContact O-N 2.94Å; V419-Y422 PolarHBondContact O-N 3.11Å; V419-Q423 WeakPolarHBondContact O-CB 3.45Å; V419-Q423 PolarHBondContact O-N 2.86Å
420S97.9Very high95.5Very high71 Ų7151.2 Ų51.250%0.49728%0.279SS..Hα-helixtrans-66.1-38.3179-57.90000111.9N416 D417 L418 Q423 Q424N416-S420 WeakPolarHBondContact O-CB 3.3Å; N416-S420 PolarHBondContact O-N 3.29Å; N416-S420 PolarHBondContact O-OG 2.67Å; D417-S420 CarbonylContact O-C 3.45Å; D417-S420 WeakPolarHBondContact O-CA 3.44Å; D417-S420 WeakPolarHBondContact O-CB 3.45Å; D417-S420 PolarHBondContact O-N 2.91Å; L418-S420 VanDerWaalsContact C-N 3.3Å; L418-S420 PolarHBondContact O-N 3.39Å; S420-Q423 PolarHBondContact O-N 3.1Å; S420-Q424 WeakPolarHBondContact O-CB 3.46Å; S420-Q424 PolarHBondContact O-N 3.5Å
421E97.4Very high94.3Very high44 Ų4452.5 Ų52.521%0.20629%0.29CS..Hα-helixtrans-62.9-49.3173.3-74.7175.3-118.700111.5R262 L263 D417 L418 Q423 Q424 Y425R262-E421 IonicContact CZ-OE1 2.83Å; R262-E421 VanDerWaalsContact CZ-OE1 3.3Å; R262-E421 IonicContact NE-OE1 3.43Å; R262-E421 PolarHBondContact NE-OE1 2.94Å; R262-E421 IonicContact NE-OE2 3.91Å; R262-E421 PolarHBondContact NE-OE2 3.44Å; R262-E421 IonicContact NH2-OE1 3.17Å; R262-E421 PolarHBondContact NH2-OE1 2.98Å; L263-E421 HydrophobicContact CD2-CB 4.29Å; D417-E421 PolarHBondContact O-N 2.96Å; L418-E421 PolarHBondContact O-N 3.42Å; E421-Q423 PolarHBondContact O-N 3.29Å; E421-Q424 WeakPolarHBondContact O-CB 3.45Å; E421-Q424 PolarHBondContact O-N 3.35Å; E421-Q424 VanDerWaalsContact O-N 3.14Å; E421-Y425 WeakPolarHBondContact O-CD2 3.43Å; E421-Y425 PolarHBondContact O-N 2.56Å
422Y98.1Very high92.1Very high0 Ų060 Ų600%033%0.33CS..Hα-helixtrans-56.6-41.3174.8-84.8-67.6000112L263 L311 T372 I374 F378 L418 V419 Y425 Q426L263-Y422 WeakPolarHBondContact CA-OH 3.43Å; L263-Y422 HydrophobicContact CB-CE1 3.8Å; L263-Y422 HydrophobicContact CD1-CD1 4.11Å; L263-Y422 HydrophobicContact CD1-CE1 4.12Å; L263-Y422 HydrophobicContact CD2-CD1 3.77Å; L263-Y422 HydrophobicContact CD2-CD2 3.87Å; L263-Y422 HydrophobicContact CD2-CE1 3.67Å; L263-Y422 HydrophobicContact CD2-CE2 3.73Å; L263-Y422 HydrophobicContact CD2-CG 3.89Å; L263-Y422 HydrophobicContact CG-CD1 4.35Å; L263-Y422 HydrophobicContact CG-CE1 4.04Å; L311-Y422 HydrophobicContact CD1-CE1 4.43Å; T372-Y422 HydrophobicContact CG2-CD1 4.21Å; T372-Y422 WeakPolarHBondContact CG2-O 3.47Å; I374-Y422 HydrophobicContact CG2-CD1 4.12Å; I374-Y422 HydrophobicContact CG2-CD2 4.09Å; I374-Y422 HydrophobicContact CG2-CE1 3.65Å; I374-Y422 HydrophobicContact CG2-CE2 3.66Å; I374-Y422 HydrophobicContact CG2-CG 4.32Å; I374-Y422 VanDerWaalsContact CG2-CZ 3.41Å; F378-Y422 AromaticContact CE2-CE2 3.94Å; F378-Y422 HydrophobicContact CE2-CE2 3.94Å; L418-Y422 HydrophobicContact CD1-CD2 4.17Å; L418-Y422 HydrophobicContact CD1-CE2 3.76Å; L418-Y422 HydrophobicContact CD2-CE2 4.37Å; L418-Y422 HydrophobicContact CG-CD2 4.06Å; L418-Y422 HydrophobicContact CG-CE2 3.88Å; L418-Y422 VanDerWaalsContact O-CD2 3.29Å; L418-Y422 WeakPolarHBondContact O-CD2 3.33Å; L418-Y422 PolarHBondContact O-N 3.26Å; V419-Y422 PolarHBondContact O-N 3.11Å; Y422-Y425 PolarHBondContact O-N 3.25Å; Y422-Q426 WeakPolarHBondContact O-CB 3.45Å; Y422-Q426 PolarHBondContact O-N 2.83Å
423Q97.4Very high89.8Confident56 Ų5661.2 Ų61.226%0.26235%0.35SS..Hα-helixtrans-64.4-43.5177.2-171.961.157.300111.6V419 S420 E421 Y425 Q426 D427V419-Q423 WeakPolarHBondContact O-CB 3.45Å; V419-Q423 PolarHBondContact O-N 2.86Å; S420-Q423 PolarHBondContact O-N 3.1Å; E421-Q423 PolarHBondContact O-N 3.29Å; Q423-Y425 VanDerWaalsContact C-N 3.35Å; Q423-Y425 PolarHBondContact O-N 3.17Å; Q423-Q426 WeakPolarHBondContact O-CB 3.4Å; Q423-Q426 PolarHBondContact O-N 3.04Å; Q423-D427 VanDerWaalsContact NE2-CG 3.29Å; Q423-D427 PolarHBondContact NE2-OD1 3.08Å; Q423-D427 VanDerWaalsContact NE2-OD1 3.17Å; Q423-D427 PolarHBondContact NE2-OD2 3.29Å; Q423-D427 PolarHBondContact O-N 2.99Å; Q423-D427 VanDerWaalsContact O-N 3.09Å
424Q96.8Very high87.1Confident128 Ų12866.5 Ų66.560%0.59837%0.369SS*.Hα-helixtrans-57.6-46.6176.2-179.1-176.6-5.300111.6S420 E421 Q426 D427 A428S420-Q424 WeakPolarHBondContact O-CB 3.46Å; S420-Q424 PolarHBondContact O-N 3.5Å; E421-Q424 WeakPolarHBondContact O-CB 3.45Å; E421-Q424 PolarHBondContact O-N 3.35Å; E421-Q424 VanDerWaalsContact O-N 3.14Å; Q424-Q426 VanDerWaalsContact C-N 3.34Å; Q424-D427 PolarHBondContact O-N 3.27Å; Q424-A428 PolarHBondContact O-N 3.15Å
425Y95.4Very high84.5Confident48 Ų4876 Ų7619%0.18841%0.41CS..Hα-helixtrans-75.5-22179.6-67.9-65.9000113.7F260 L263 W344 E421 Y422 Q423F260-Y425 HydrophobicContact CD1-CE1 4.27Å; F260-Y425 AromaticContact CD1-CZ 3.86Å; F260-Y425 WeakPolarHBondContact CD1-OH 3.48Å; F260-Y425 HydrophobicContact CD2-CD1 4.02Å; F260-Y425 HydrophobicContact CD2-CD2 4.13Å; F260-Y425 AromaticContact CD2-CE1 3.75Å; F260-Y425 HydrophobicContact CD2-CE1 3.75Å; F260-Y425 AromaticContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CE2 3.84Å; F260-Y425 HydrophobicContact CD2-CG 4.21Å; F260-Y425 AromaticContact CD2-CZ 3.63Å; F260-Y425 AromaticContact CE1-CE1 3.76Å; F260-Y425 HydrophobicContact CE1-CE1 3.76Å; F260-Y425 AromaticContact CE1-CZ 3.79Å; F260-Y425 WeakPolarHBondContact CE1-OH 3.33Å; F260-Y425 AromaticContact CE2-CD1 3.37Å; F260-Y425 HydrophobicContact CE2-CD1 3.37Å; F260-Y425 HydrophobicContact CE2-CD2 4.31Å; F260-Y425 AromaticContact CE2-CE1 3.15Å; F260-Y425 HydrophobicContact CE2-CE1 3.15Å; F260-Y425 HydrophobicContact CE2-CE2 4.12Å; F260-Y425 AromaticContact CE2-CG 3.97Å; F260-Y425 HydrophobicContact CE2-CG 3.97Å; F260-Y425 AromaticContact CE2-CZ 3.54Å; F260-Y425 HydrophobicContact CG-CE1 4.27Å; F260-Y425 HydrophobicContact CG-CE2 4.09Å; F260-Y425 AromaticContact CG-CZ 3.79Å; F260-Y425 AromaticContact CZ-CD1 3.81Å; F260-Y425 HydrophobicContact CZ-CD1 3.81Å; F260-Y425 AromaticContact CZ-CE1 3.16Å; F260-Y425 HydrophobicContact CZ-CE1 3.16Å; F260-Y425 AromaticContact CZ-CZ 3.64Å; L263-Y425 HydrophobicContact CD1-CD2 3.52Å; L263-Y425 HydrophobicContact CD1-CE2 4.04Å; L263-Y425 HydrophobicContact CD1-CG 4.17Å; W344-Y425 HydrophobicContact CH2-CD1 4.2Å; W344-Y425 HydrophobicContact CZ2-CD1 4.28Å; E421-Y425 WeakPolarHBondContact O-CD2 3.43Å; E421-Y425 PolarHBondContact O-N 2.56Å; Y422-Y425 PolarHBondContact O-N 3.25Å; Q423-Y425 VanDerWaalsContact C-N 3.35Å; Q423-Y425 PolarHBondContact O-N 3.17Å
426Q95.3Very high81.7Confident37 Ų3786.3 Ų86.317%0.17347%0.465CS..Hα-helixtrans-66.7-41.1170.3-173.2178.5-7100111.7G308 R309 T372 Y422 Q423 Q424G308-Q426 VanDerWaalsContact CA-OE1 3.29Å; R309-Q426 HydrophobicContact CG-CG 4.05Å; T372-Q426 HydrophobicContact CG2-CB 3.86Å; T372-Q426 HydrophobicContact CG2-CG 4.49Å; T372-Q426 WeakPolarHBondContact OG1-CG 3.41Å; T372-Q426 PolarHBondContact OG1-OE1 3.41Å; Y422-Q426 WeakPolarHBondContact O-CB 3.45Å; Y422-Q426 PolarHBondContact O-N 2.83Å; Q423-Q426 WeakPolarHBondContact O-CB 3.4Å; Q423-Q426 PolarHBondContact O-N 3.04Å; Q424-Q426 VanDerWaalsContact C-N 3.34Å
427D93.4Very high80.9Confident103 Ų10387.5 Ų87.555%0.55147%0.471SS*.Hα-helixtrans-89.4-9.6-176.5-60.4-27.4000112.6Q423 Q424 T429Q423-D427 VanDerWaalsContact NE2-CG 3.29Å; Q423-D427 PolarHBondContact NE2-OD1 3.08Å; Q423-D427 VanDerWaalsContact NE2-OD1 3.17Å; Q423-D427 PolarHBondContact NE2-OD2 3.29Å; Q423-D427 PolarHBondContact O-N 2.99Å; Q423-D427 VanDerWaalsContact O-N 3.09Å; Q424-D427 PolarHBondContact O-N 3.27Å; D427-T429 PolarHBondContact O-N 2.71Å
428A90.5Very high80Confident39 Ų3987.9 Ų87.932%0.32247%0.474SS..  trans-61129.9174.600000110.9W344 Q424W344-A428 VanDerWaalsContact CD1-O 3.3Å; W344-A428 PolarHBondContact NE1-O 3.36Å; Q424-A428 PolarHBondContact O-N 3.15Å
429T84.1Confident79Confident96 Ų9692.8 Ų92.859%0.58950%0.5SS*.  trans-115.9161.3175.852.30000109D427 D431D427-T429 PolarHBondContact O-N 2.71Å; T429-D431 PolarHBondContact O-N 3.25Å; T429-D431 VanDerWaalsContact O-N 3.15Å
430V81.2Confident77.9Confident71 Ų7197.4 Ų97.443%0.4352%0.524SS..  trans-67.5111.4166.2178.60000106.4E343 W344 D432E343-V430 HydrophobicContact CB-CG2 4.44Å; E343-V430 HydrophobicContact CG-CG2 3.96Å; E343-V430 PolarHBondContact OE1-N 3.38Å; W344-V430 HydrophobicContact CB-CG2 3.88Å; V430-D432 PolarHBondContact O-N 3.43Å; V430-D432 VanDerWaalsContact O-N 3.07Å
431D71.6Confident76.6Confident145 Ų14599 Ų9978%0.77553%0.526SS*.  trans-57.2118.3168.8-85.9-28.7000107.5T429 G433T429-D431 PolarHBondContact O-N 3.25Å; T429-D431 VanDerWaalsContact O-N 3.15Å; D431-G433 PolarHBondContact O-N 2.88Å
432D52.4Low75.2Confident159 Ų159102.7 Ų102.785%0.8555%0.547SS*.  trans-69.841.1169.7-77.6-32.7000110.8V430 E434V430-D432 PolarHBondContact O-N 3.43Å; V430-D432 VanDerWaalsContact O-N 3.07Å; D432-E434 VanDerWaalsContact C-N 3.33Å; D432-E434 PolarHBondContact O-N 2.72Å
433G49.2Very low73.6Confident55 Ų55110 Ų11057%0.56759%0.586SS**  trans-72.886.2176.800000110.4D431 F435D431-G433 PolarHBondContact O-N 2.88Å; G433-F435 PolarHBondContact O-N 3.28Å
434E40.2Very low71.7Confident169 Ų169114.2 Ų114.279%0.7961%0.611SS**  trans12.591.4151.9-66.8176.6163.200114.9D432 D436D432-E434 VanDerWaalsContact C-N 3.33Å; D432-E434 PolarHBondContact O-N 2.72Å; E434-D436 PolarHBondContact O-N 2.88Å; E434-D436 VanDerWaalsContact O-N 3.12Å
435F45.4Very low69.7Low217 Ų217113 Ų11395%0.95261%0.612SS**  trans-74.384151.5-70.4-86.1000107.7G433G433-F435 PolarHBondContact O-N 3.28Å
436D37.3Very low67.3Low217 Ų217118.9 Ų118.9100%1.1665%0.651SS**  trans-73.70161.3-96.6-8.6000111.2E434E434-D436 PolarHBondContact O-N 2.88Å; E434-D436 VanDerWaalsContact O-N 3.12Å

Retrieved 436 of 436 residues in 99.4 ms (Link to these results)

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