A0A087YPR9_POEFO Loading...

Disease resistance R13L4/SHOC-2-like LRR domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YPR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 250 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
1D79.4Confident95.1Very high164 Ų16490.5 Ų90.588%0.87743%0.431SS*.  0125.30-168.3-22000107.4V3D1-V3 PolarHBondContact O-N 3.24Å; D1-V3 WeakPolarHBondContact OD1-CB 3.49Å; D1-V3 PolarHBondContact OD1-N 3.36Å
2P94.4Very high95.2Very high57 Ų5795.8 Ų95.837%0.3745%0.451SS..  trans-71.41.5174.832.1-37.5000113.2L24 E25 K26P2-L24 WeakPolarHBondContact O-CD1 3.42Å; P2-E25 HydrophobicContact CB-CB 4.05Å; P2-E25 HydrophobicContact CB-CG 3.86Å; P2-E25 PolarHBondContact O-N 3.4Å; P2-K26 PolarHBondContact O-N 2.97Å
3V98.3Very high95.2Very high53 Ų53104.9 Ų104.932%0.32148%0.479SS..EExtended strand (participates in β ladder)trans-113.4134.9177.6-173.10000110.7D1 K26 Y28D1-V3 PolarHBondContact O-N 3.24Å; D1-V3 WeakPolarHBondContact OD1-CB 3.49Å; D1-V3 PolarHBondContact OD1-N 3.36Å; V3-K26 WeakPolarHBondContact CA-O 3.43Å; V3-K26 HydrophobicContact CB-CB 4.41Å; V3-K26 HydrophobicContact CG1-CB 4.11Å; V3-K26 HydrophobicContact CG2-CB 4.07Å; V3-K26 HydrophobicContact CG2-CD 3.98Å; V3-K26 HydrophobicContact CG2-CG 4.24Å; V3-Y28 HydrophobicContact CG1-CD2 4.14Å; V3-Y28 HydrophobicContact CG1-CE2 3.83Å
4L97.8Very high95Very high45 Ų4598.1 Ų98.124%0.23645%0.448CS..EExtended strand (participates in β ladder)trans-133.9127.3172.1179.965.7000109.9L6 V18 L21 L24 K26 L27 Y28L4-L6 HydrophobicContact CD1-CD2 4.22Å; L4-L6 HydrophobicContact CD1-CG 4.46Å; L4-L6 HydrophobicContact CD2-CD1 3.97Å; L4-L6 HydrophobicContact CD2-CD2 4.47Å; L4-L6 HydrophobicContact CD2-CG 4.12Å; L4-L6 HydrophobicContact CG-CD1 4.41Å; L4-L6 HydrophobicContact CG-CD2 4.31Å; L4-L6 HydrophobicContact CG-CG 4.01Å; L4-V18 HydrophobicContact CD2-CG1 4.03Å; L4-V18 HydrophobicContact CD2-CG2 4.43Å; L4-L21 HydrophobicContact CD2-CD1 3.67Å; L4-L24 HydrophobicContact CB-CD1 3.59Å; L4-L24 HydrophobicContact CB-CD2 4.19Å; L4-K26 PolarHBondContact N-O 2.79Å; L4-L27 HydrophobicContact CB-CD1 4.17Å; L4-L27 HydrophobicContact CD2-CD1 4.08Å; L4-L27 HydrophobicContact CG-CD1 4.21Å; L4-L27 WeakPolarHBondContact O-CA 3.12Å; L4-Y28 PolarHBondContact O-N 2.92Å
5D97.9Very high94.6Very high95 Ų9596.1 Ų96.151%0.50845%0.447SS..EExtended strand (participates in β ladder)trans-115.4117175.6-171.1-0.4000111.4S7D5-S7 WeakPolarHBondContact OD1-CB 3.44Å; D5-S7 PolarHBondContact OD1-N 3.17Å; D5-S7 PolarHBondContact OD1-OG 2.88Å
6L96.9Very high94.3Very high31 Ų3194.6 Ų94.616%0.16245%0.451CS..  trans-118.519.3178.6-62.7-178.6000111.5L4 R9 F11 L14 V18 L27 Y28 V29 N32L4-L6 HydrophobicContact CD1-CD2 4.22Å; L4-L6 HydrophobicContact CD1-CG 4.46Å; L4-L6 HydrophobicContact CD2-CD1 3.97Å; L4-L6 HydrophobicContact CD2-CD2 4.47Å; L4-L6 HydrophobicContact CD2-CG 4.12Å; L4-L6 HydrophobicContact CG-CD1 4.41Å; L4-L6 HydrophobicContact CG-CD2 4.31Å; L4-L6 HydrophobicContact CG-CG 4.01Å; L6-R9 WeakPolarHBondContact O-CG 3.15Å; L6-F11 HydrophobicContact CB-CE2 4.06Å; L6-F11 HydrophobicContact CD2-CE2 4.43Å; L6-L14 HydrophobicContact CD1-CD2 3.65Å; L6-V18 HydrophobicContact CD1-CG2 3.75Å; L6-L27 HydrophobicContact CD1-CD1 4.49Å; L6-Y28 PolarHBondContact N-O 2.78Å; L6-V29 HydrophobicContact CB-CG1 4.27Å; L6-N32 PolarHBondContact O-ND2 3.12Å
7S97.8Very high94.2Very high15 Ų15100.2 Ų100.211%0.10547%0.467CS..THydrogen-bonded Turntrans-69.8149.7-175.7-52.40000112.4D5 R9 C30D5-S7 WeakPolarHBondContact OD1-CB 3.44Å; D5-S7 PolarHBondContact OD1-N 3.17Å; D5-S7 PolarHBondContact OD1-OG 2.88Å; S7-R9 VanDerWaalsContact C-N 3.25Å; S7-R9 WeakPolarHBondContact O-CG 3.34Å; S7-R9 PolarHBondContact O-N 3.12Å; S7-C30 CarbonylContact C-O 3.48Å; S7-C30 WeakPolarHBondContact CA-O 3.4Å; S7-C30 VanDerWaalsContact CB-O 3.3Å; S7-C30 WeakPolarHBondContact CB-O 3.47Å; S7-C30 PolarHBondContact OG-N 3.35Å; S7-C30 VanDerWaalsContact OG-N 3.12Å
8Y97.1Very high94.2Very high155 Ų15595.3 Ų95.361%0.60845%0.445SS*.THydrogen-bonded Turntrans57.130.3174.5-54.9-81.1000115.3C30 G31Y8-C30 PolarHBondContact N-O 3.12Å; Y8-G31 WeakPolarHBondContact CA-O 3.41Å
9R95.9Very high94.1Very high171 Ų17190.3 Ų90.365%0.64542%0.422SS*.SBendtrans-97.46.5179.2-58.6-54.6-176.3165.10.9114.2L6 S7 F11 N32L6-R9 WeakPolarHBondContact O-CG 3.15Å; S7-R9 VanDerWaalsContact C-N 3.25Å; S7-R9 WeakPolarHBondContact O-CG 3.34Å; S7-R9 PolarHBondContact O-N 3.12Å; R9-F11 HydrophobicContact CB-CD2 3.64Å; R9-F11 HydrophobicContact CB-CE1 4.31Å; R9-F11 HydrophobicContact CB-CE2 3.38Å; R9-F11 HydrophobicContact CB-CG 4.21Å; R9-F11 HydrophobicContact CB-CZ 3.75Å; R9-F11 HydrophobicContact CG-CD2 4.42Å; R9-F11 HydrophobicContact CG-CE2 3.81Å; R9-F11 HydrophobicContact CG-CZ 4.24Å; R9-F11 PolarHBondContact O-N 3.31Å; R9-N32 PolarHBondContact N-OD1 2.98Å; R9-N32 VanDerWaalsContact N-OD1 3.09Å
10K95.4Very high94.1Very high147 Ų14792 Ų9264%0.63943%0.43SS*.  trans60.223-179.2-53.1174.6-177.5172.70113.7K12 N32K10-K12 PolarHBondContact O-N 2.91Å; K10-N32 PolarHBondContact N-OD1 3.19Å
11F95.5Very high94.2Very high62 Ų6291.5 Ų91.527%0.27243%0.429SS..  trans-60.8128.6-179.4-71-48.9000111.6L6 R9 N32 R33 L34L6-F11 HydrophobicContact CB-CE2 4.06Å; L6-F11 HydrophobicContact CD2-CE2 4.43Å; R9-F11 HydrophobicContact CB-CD2 3.64Å; R9-F11 HydrophobicContact CB-CE1 4.31Å; R9-F11 HydrophobicContact CB-CE2 3.38Å; R9-F11 HydrophobicContact CB-CG 4.21Å; R9-F11 HydrophobicContact CB-CZ 3.75Å; R9-F11 HydrophobicContact CG-CD2 4.42Å; R9-F11 HydrophobicContact CG-CE2 3.81Å; R9-F11 HydrophobicContact CG-CZ 4.24Å; R9-F11 PolarHBondContact O-N 3.31Å; F11-N32 HydrophobicContact CB-CB 4.25Å; F11-N32 PolarHBondContact N-OD1 3.33Å; F11-R33 CarbonylContact O-C 3.43Å; F11-R33 VanDerWaalsContact O-C 3.29Å; F11-R33 VanDerWaalsContact O-CA 3.29Å; F11-R33 WeakPolarHBondContact O-CA 3.49Å; F11-R33 WeakPolarHBondContact O-CB 3.24Å; F11-R33 PolarHBondContact O-N 3.02Å; F11-L34 HydrophobicContact CB-CD2 4.12Å; F11-L34 PolarHBondContact O-N 3.09Å
12K96.3Very high94.8Very high155 Ų15587.8 Ų87.867%0.67441%0.408SS*.SBendtrans-85.2-25.4168.2-67.5-178.2-178.7177.40112.1K10 R33K10-K12 PolarHBondContact O-N 2.91Å; K12-R33 HydrophobicContact CG-CB 4.43Å
13R94.9Very high94.8Very high214 Ų21493.2 Ų93.281%0.80843%0.428SS*.SBendtrans-145.7146177-61.1-177.2-174.21770.8108
14L92.5Very high94.8Very high10 Ų1090.9 Ų90.95%0.05241%0.414CS..  trans-80.9139.6169.8-84.9167.1000110.2L6 V29 L34 V37 P38 F41L6-L14 HydrophobicContact CD1-CD2 3.65Å; L14-V29 HydrophobicContact CD1-CG1 4.03Å; L14-V29 HydrophobicContact CD1-CG2 4.2Å; L14-V29 HydrophobicContact CD2-CG1 3.72Å; L14-V29 HydrophobicContact CD2-CG2 4.48Å; L14-V29 HydrophobicContact CG-CG1 4.08Å; L14-L34 HydrophobicContact CD1-CD1 3.79Å; L14-L34 HydrophobicContact CG-CD1 3.87Å; L14-L34 HydrophobicContact CG-CD2 4.15Å; L14-V37 HydrophobicContact CD1-CG1 4.43Å; L14-P38 HydrophobicContact CB-CG 4.34Å; L14-F41 HydrophobicContact CD1-CE2 3.63Å; L14-F41 HydrophobicContact CD1-CZ 3.47Å; L14-F41 VanDerWaalsContact CD1-CZ 3.47Å
15P88.9Confident94.8Very high67 Ų6792.7 Ų92.744%0.43542%0.421SS..  trans-61.7134.2169.9-19.731.9000110.9R17 V18P15-R17 PolarHBondContact O-N 3.03Å; P15-V18 WeakPolarHBondContact O-CB 3.29Å; P15-V18 WeakPolarHBondContact O-CG2 3.45Å; P15-V18 PolarHBondContact O-N 2.92Å; P15-V18 VanDerWaalsContact O-N 3.12Å
16S89.1Confident94.9Very high73 Ų7392.1 Ų92.151%0.5141%0.414SS..G310 helixtrans-60.7-27.117952.70000113.3V18 C19S16-V18 PolarHBondContact O-N 3.25Å; S16-V18 VanDerWaalsContact O-N 3.12Å; S16-C19 VanDerWaalsContact O-CB 3.23Å; S16-C19 WeakPolarHBondContact O-CB 3.42Å; S16-C19 PolarHBondContact O-N 2.64Å
17R93.1Very high94.9Very high189 Ų18990.6 Ų90.671%0.71341%0.406SS*.G310 helixtrans-56.9-23.1174.9-80.2-177.7165.1176.4-3.3114.1P15 C19 E20P15-R17 PolarHBondContact O-N 3.03Å; R17-C19 PolarHBondContact O-N 2.79Å; R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 3.42Å; R17-E20 VanDerWaalsContact O-N 3.12Å
18V93.8Very high95Very high12 Ų1293.3 Ų93.37%0.07341%0.414CS..G310 helixtrans-60.5-33.2173.2175.80000110.8L4 L6 P15 S16 E20 L21 L27L4-V18 HydrophobicContact CD2-CG1 4.03Å; L4-V18 HydrophobicContact CD2-CG2 4.43Å; L6-V18 HydrophobicContact CD1-CG2 3.75Å; P15-V18 WeakPolarHBondContact O-CB 3.29Å; P15-V18 WeakPolarHBondContact O-CG2 3.45Å; P15-V18 PolarHBondContact O-N 2.92Å; P15-V18 VanDerWaalsContact O-N 3.12Å; S16-V18 PolarHBondContact O-N 3.25Å; S16-V18 VanDerWaalsContact O-N 3.12Å; V18-E20 PolarHBondContact O-N 2.83Å; V18-L21 WeakPolarHBondContact O-CB 3.16Å; V18-L21 PolarHBondContact O-N 2.93Å; V18-L27 HydrophobicContact CG1-CD1 4.24Å; V18-L27 HydrophobicContact CG1-CD2 4.02Å
19C93.4Very high95Very high1 Ų185.9 Ų85.91%0.00739%0.386CS..G310 helixtrans-72.9-13.2179.3-51.40000113.2S16 R17 L21 M22 S40 F41S16-C19 VanDerWaalsContact O-CB 3.23Å; S16-C19 WeakPolarHBondContact O-CB 3.42Å; S16-C19 PolarHBondContact O-N 2.64Å; R17-C19 PolarHBondContact O-N 2.79Å; C19-L21 PolarHBondContact O-N 2.96Å; C19-M22 VanDerWaalsContact O-CE 3.27Å; C19-M22 WeakPolarHBondContact O-CE 3.38Å; C19-S40 WeakPolarHBondContact CB-O 3.08Å; C19-S40 WeakPolarHBondContact CB-OG 3.47Å; C19-S40 VanDerWaalsContact SG-C 3.59Å; C19-S40 PolarHBondContact SG-OG 3.28Å; C19-F41 VanDerWaalsContact SG-CD2 3.6Å
20E94.6Very high95.1Very high124 Ų12478.5 Ų78.558%0.57936%0.36SS*.G310 helixtrans-78.3-11.2175.4-62.3168-159.300111.9R17 V18 M22R17-E20 WeakPolarHBondContact O-CB 3.46Å; R17-E20 PolarHBondContact O-N 3.42Å; R17-E20 VanDerWaalsContact O-N 3.12Å; V18-E20 PolarHBondContact O-N 2.83Å; E20-M22 VanDerWaalsContact C-N 3.25Å; E20-M22 PolarHBondContact O-N 2.97Å
21L95.1Very high95.2Very high81 Ų8172.4 Ų72.442%0.42434%0.339SS..  trans-81.965.5-179.6-56.4175.6000111.1L4 V18 C19 H23 L24 L44L4-L21 HydrophobicContact CD2-CD1 3.67Å; V18-L21 WeakPolarHBondContact O-CB 3.16Å; V18-L21 PolarHBondContact O-N 2.93Å; C19-L21 PolarHBondContact O-N 2.96Å; L21-H23 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CB-CB 4.32Å; L21-L24 WeakPolarHBondContact O-CB 3.4Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-L44 WeakPolarHBondContact O-CD2 3.39Å
22M92.3Very high95.3Very high87 Ų8770 Ų7043%0.42933%0.328SS..THydrogen-bonded Turntrans-60.7-18.1-170.9-57.1-56176.400115.3C19 E20 L24 Q43C19-M22 VanDerWaalsContact O-CE 3.27Å; C19-M22 WeakPolarHBondContact O-CE 3.38Å; E20-M22 VanDerWaalsContact C-N 3.25Å; E20-M22 PolarHBondContact O-N 2.97Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-Q43 HydrophobicContact CE-CB 3.78Å; M22-Q43 HydrophobicContact CE-CG 4.42Å; M22-Q43 HydrophobicContact SD-CB 3.86Å
23H94.6Very high95.4Very high171 Ų17168.1 Ų68.179%0.79232%0.317SS*.THydrogen-bonded Turntrans-92.58.4177.7-56.9-62.3000113.5L21 E25L21-H23 PolarHBondContact O-N 3.48Å; H23-E25 PolarHBondContact O-N 3.12Å
24L97.6Very high95.5Very high4 Ų457.9 Ų57.92%0.02128%0.279CS..  trans-72.4126.9-179.2-161.472.8000110.7P2 L4 L21 M22 L27 L44 G46 L47P2-L24 WeakPolarHBondContact O-CD1 3.42Å; L4-L24 HydrophobicContact CB-CD1 3.59Å; L4-L24 HydrophobicContact CB-CD2 4.19Å; L21-L24 HydrophobicContact CB-CB 4.32Å; L21-L24 WeakPolarHBondContact O-CB 3.4Å; L21-L24 PolarHBondContact O-N 3.27Å; M22-L24 VanDerWaalsContact C-N 3.34Å; L24-L27 HydrophobicContact CD2-CB 3.73Å; L24-L27 HydrophobicContact CD2-CD1 4.03Å; L24-L27 HydrophobicContact CD2-CD2 4.15Å; L24-L27 HydrophobicContact CD2-CG 4.17Å; L24-L44 HydrophobicContact CB-CD2 4.49Å; L24-G46 CarbonylContact O-C 3.49Å; L24-L47 HydrophobicContact CB-CD1 4.31Å; L24-L47 HydrophobicContact CD2-CD1 4.05Å; L24-L47 HydrophobicContact CG-CD1 4.01Å; L24-L47 WeakPolarHBondContact O-CA 3.3Å; L24-L47 PolarHBondContact O-N 3.32Å
25E98.4Very high95.7Very high82 Ų8263.6 Ų63.638%0.38330%0.299SS..  trans-104.4-29.2175.8-63.1-171.8-178.300112.1P2 H23 R48 T49P2-E25 HydrophobicContact CB-CB 4.05Å; P2-E25 HydrophobicContact CB-CG 3.86Å; P2-E25 PolarHBondContact O-N 3.4Å; H23-E25 PolarHBondContact O-N 3.12Å; E25-R48 PolarHBondContact O-N 2.83Å; E25-T49 PolarHBondContact O-N 3.33Å
26K98.8Very high96Very high83 Ų8368.2 Ų68.236%0.36131%0.313SS..EExtended strand (participates in β ladder)trans-133.2125.9-179.1-51.7-175.4-174.9171.60111P2 V3 L4 Y28 T49P2-K26 PolarHBondContact O-N 2.97Å; V3-K26 WeakPolarHBondContact CA-O 3.43Å; V3-K26 HydrophobicContact CB-CB 4.41Å; V3-K26 HydrophobicContact CG1-CB 4.11Å; V3-K26 HydrophobicContact CG2-CB 4.07Å; V3-K26 HydrophobicContact CG2-CD 3.98Å; V3-K26 HydrophobicContact CG2-CG 4.24Å; L4-K26 PolarHBondContact N-O 2.79Å; K26-Y28 HydrophobicContact CB-CE2 3.9Å; K26-T49 WeakPolarHBondContact CA-O 3.45Å
27L98.4Very high96.3Very high0 Ų065.1 Ų65.10%029%0.291CS..EExtended strand (participates in β ladder)trans-127.7116.5178.1-179.752.7000109.9L4 L6 V18 L24 V29 F41 L44 L47 T49 L50 A51L4-L27 HydrophobicContact CB-CD1 4.17Å; L4-L27 HydrophobicContact CD2-CD1 4.08Å; L4-L27 HydrophobicContact CG-CD1 4.21Å; L4-L27 WeakPolarHBondContact O-CA 3.12Å; L6-L27 HydrophobicContact CD1-CD1 4.49Å; V18-L27 HydrophobicContact CG1-CD1 4.24Å; V18-L27 HydrophobicContact CG1-CD2 4.02Å; L24-L27 HydrophobicContact CD2-CB 3.73Å; L24-L27 HydrophobicContact CD2-CD1 4.03Å; L24-L27 HydrophobicContact CD2-CD2 4.15Å; L24-L27 HydrophobicContact CD2-CG 4.17Å; L27-V29 HydrophobicContact CD1-CG2 3.8Å; L27-V29 HydrophobicContact CD2-CG2 4.27Å; L27-V29 HydrophobicContact CG-CG2 3.69Å; L27-F41 HydrophobicContact CD2-CE1 3.9Å; L27-F41 HydrophobicContact CD2-CZ 3.61Å; L27-L44 HydrophobicContact CD2-CD1 4.13Å; L27-L47 HydrophobicContact CB-CD1 3.8Å; L27-L47 HydrophobicContact CB-CD2 4.2Å; L27-T49 PolarHBondContact N-O 3.33Å; L27-L50 HydrophobicContact CB-CD1 4.08Å; L27-L50 HydrophobicContact CD2-CD1 4.13Å; L27-L50 HydrophobicContact CG-CD1 4.1Å; L27-L50 WeakPolarHBondContact O-CA 3.4Å; L27-A51 PolarHBondContact O-N 3.19Å
28Y98.5Very high96.4Very high71 Ų7157.5 Ų57.528%0.27827%0.266SS..EExtended strand (participates in β ladder)trans-107.2124.1176.3-57.6-83.4000109.7V3 L4 L6 K26 T49 A51V3-Y28 HydrophobicContact CG1-CD2 4.14Å; V3-Y28 HydrophobicContact CG1-CE2 3.83Å; L4-Y28 PolarHBondContact O-N 2.92Å; L6-Y28 PolarHBondContact N-O 2.78Å; K26-Y28 HydrophobicContact CB-CE2 3.9Å; Y28-T49 HydrophobicContact CE1-CG2 4.25Å; Y28-A51 HydrophobicContact CD1-CB 3.66Å; Y28-A51 HydrophobicContact CE1-CB 4.32Å
29V97.8Very high96.2Very high0 Ų063.7 Ų63.70%030%0.299CS..  trans-137.729.5-178.9-155.90000110.9L6 L14 L27 N32 L34 A51 L52 N55L6-V29 HydrophobicContact CB-CG1 4.27Å; L14-V29 HydrophobicContact CD1-CG1 4.03Å; L14-V29 HydrophobicContact CD1-CG2 4.2Å; L14-V29 HydrophobicContact CD2-CG1 3.72Å; L14-V29 HydrophobicContact CD2-CG2 4.48Å; L14-V29 HydrophobicContact CG-CG1 4.08Å; L27-V29 HydrophobicContact CD1-CG2 3.8Å; L27-V29 HydrophobicContact CD2-CG2 4.27Å; L27-V29 HydrophobicContact CG-CG2 3.69Å; V29-N32 WeakPolarHBondContact CG1-ND2 3.44Å; V29-N32 PolarHBondContact O-ND2 3.18Å; V29-L34 HydrophobicContact CB-CD1 4.45Å; V29-L34 HydrophobicContact CG1-CD1 3.65Å; V29-A51 PolarHBondContact N-O 3.37Å; V29-L52 HydrophobicContact CB-CD2 4.05Å; V29-L52 HydrophobicContact CG2-CD2 4.35Å; V29-N55 PolarHBondContact O-ND2 2.84Å
30C97.4Very high96.3Very high16 Ų1665.3 Ų65.311%0.10831%0.31CS..THydrogen-bonded Turntrans-65.3152-175.6-55.30000111.4S7 Y8 N32 A51 D53S7-C30 CarbonylContact C-O 3.48Å; S7-C30 WeakPolarHBondContact CA-O 3.4Å; S7-C30 VanDerWaalsContact CB-O 3.3Å; S7-C30 WeakPolarHBondContact CB-O 3.47Å; S7-C30 PolarHBondContact OG-N 3.35Å; S7-C30 VanDerWaalsContact OG-N 3.12Å; Y8-C30 PolarHBondContact N-O 3.12Å; C30-N32 VanDerWaalsContact C-N 3.34Å; C30-N32 PolarHBondContact O-N 2.9Å; C30-N32 PolarHBondContact O-ND2 3.36Å; C30-A51 WeakPolarHBondContact SG-CB 3.27Å; C30-D53 CarbonylContact C-O 3.54Å; C30-D53 WeakPolarHBondContact CA-O 3.2Å
31G97.4Very high96.3Very high19 Ų1959.4 Ų59.420%0.19628%0.282CS..THydrogen-bonded Turntrans6929.5168.600000114.7Y8 D53 F54Y8-G31 WeakPolarHBondContact CA-O 3.41Å; G31-D53 PolarHBondContact N-O 3.23Å; G31-F54 CarbonylContact C-O 3.48Å; G31-F54 VanDerWaalsContact CA-O 3.24Å; G31-F54 WeakPolarHBondContact CA-O 3.16Å; G31-F54 PolarHBondContact N-O 3.19Å
32N98.1Very high96.3Very high10 Ų1056.9 Ų56.95%0.05327%0.271CS..SBendtrans-101.8-159.4175.4-77.9-65.5000110.6L6 R9 K10 F11 V29 C30 L34 F54 N55L6-N32 PolarHBondContact O-ND2 3.12Å; R9-N32 PolarHBondContact N-OD1 2.98Å; R9-N32 VanDerWaalsContact N-OD1 3.09Å; K10-N32 PolarHBondContact N-OD1 3.19Å; F11-N32 HydrophobicContact CB-CB 4.25Å; F11-N32 PolarHBondContact N-OD1 3.33Å; V29-N32 WeakPolarHBondContact CG1-ND2 3.44Å; V29-N32 PolarHBondContact O-ND2 3.18Å; C30-N32 VanDerWaalsContact C-N 3.34Å; C30-N32 PolarHBondContact O-N 2.9Å; C30-N32 PolarHBondContact O-ND2 3.36Å; N32-L34 HydrophobicContact CB-CG 4.11Å; N32-F54 PolarHBondContact N-O 3.34Å; N32-N55 WeakPolarHBondContact CA-OD1 3.23Å; N32-N55 WeakPolarHBondContact CB-OD1 3.36Å
33R97.9Very high96.4Very high116 Ų11657.3 Ų57.344%0.43827%0.272SS..  trans-127.429.5179.5-59.8174.8179.1177.9-2.6110.5F11 K12 N55F11-R33 CarbonylContact O-C 3.43Å; F11-R33 VanDerWaalsContact O-C 3.29Å; F11-R33 VanDerWaalsContact O-CA 3.29Å; F11-R33 WeakPolarHBondContact O-CA 3.49Å; F11-R33 WeakPolarHBondContact O-CB 3.24Å; F11-R33 PolarHBondContact O-N 3.02Å; K12-R33 HydrophobicContact CG-CB 4.43Å; R33-N55 PolarHBondContact N-OD1 2.84Å
34L97.8Very high96.6Very high0 Ų049.2 Ų49.20%024%0.235CC..  trans-68.5134.3-176.3-58.6179000110.1F11 L14 V29 N32 L52 N55 K56 L57F11-L34 HydrophobicContact CB-CD2 4.12Å; F11-L34 PolarHBondContact O-N 3.09Å; L14-L34 HydrophobicContact CD1-CD1 3.79Å; L14-L34 HydrophobicContact CG-CD1 3.87Å; L14-L34 HydrophobicContact CG-CD2 4.15Å; V29-L34 HydrophobicContact CB-CD1 4.45Å; V29-L34 HydrophobicContact CG1-CD1 3.65Å; N32-L34 HydrophobicContact CB-CG 4.11Å; L34-L52 HydrophobicContact CD1-CD2 4.07Å; L34-N55 HydrophobicContact CB-CB 4.31Å; L34-N55 VanDerWaalsContact CB-OD1 3.3Å; L34-N55 WeakPolarHBondContact CB-OD1 3.28Å; L34-N55 WeakPolarHBondContact CG-OD1 3.34Å; L34-N55 PolarHBondContact N-OD1 3.39Å; L34-K56 CarbonylContact O-C 3.29Å; L34-K56 VanDerWaalsContact O-CA 3.26Å; L34-K56 WeakPolarHBondContact O-CA 3.34Å; L34-K56 WeakPolarHBondContact O-CB 3.35Å; L34-K56 PolarHBondContact O-N 2.93Å; L34-L57 PolarHBondContact O-N 2.94Å
35R97.1Very high96.5Very high129 Ų12953 Ų5349%0.48725%0.253SS..SBendtrans-106.5-19.8169.1-66.3179.2172.1-93.28.7112.6K56 L57 E58R35-K56 HydrophobicContact CG-CB 4.03Å; R35-L57 VanDerWaalsContact C-CD2 3.49Å; R35-E58 IonicContact CZ-OE1 3.95Å; R35-E58 IonicContact NH1-OE1 2.72Å; R35-E58 PolarHBondContact NH1-OE1 3.17Å; R35-E58 IonicContact NH1-OE2 3.94Å
36K95.5Very high96.5Very high164 Ų16450.6 Ų50.671%0.71325%0.25SC*.  trans-150161.9178.5-62.1-170176.6-169.10108.6
37V95.3Very high96.4Very high9 Ų946.7 Ų46.76%0.05523%0.232CC..  trans-107157.8162.9-55.70000109L14 F41 L52 P61 V64L14-V37 HydrophobicContact CD1-CG1 4.43Å; V37-F41 HydrophobicContact CB-CD1 4.15Å; V37-F41 HydrophobicContact CB-CD2 3.83Å; V37-F41 HydrophobicContact CB-CE1 4.27Å; V37-F41 HydrophobicContact CB-CE2 3.98Å; V37-F41 HydrophobicContact CB-CG 3.93Å; V37-F41 HydrophobicContact CB-CZ 4.2Å; V37-F41 HydrophobicContact CG1-CD1 4.43Å; V37-F41 HydrophobicContact CG1-CE1 4.17Å; V37-F41 HydrophobicContact CG1-CE2 4.43Å; V37-F41 HydrophobicContact CG1-CZ 4.18Å; V37-F41 HydrophobicContact CG2-CB 3.98Å; V37-F41 HydrophobicContact CG2-CD1 3.97Å; V37-F41 HydrophobicContact CG2-CD2 4.12Å; V37-F41 HydrophobicContact CG2-CG 3.74Å; V37-L52 HydrophobicContact CG1-CD1 4.35Å; V37-L52 HydrophobicContact CG1-CD2 4.18Å; V37-P61 HydrophobicContact CG1-CG 4.43Å; V37-P61 HydrophobicContact CG2-CB 3.63Å; V37-P61 HydrophobicContact CG2-CG 3.81Å; V37-V64 HydrophobicContact CG2-CG2 4.14Å
38P93.7Very high96.5Very high28 Ų2852.6 Ų52.618%0.18226%0.255CS..  trans-58.5144.4172.7-22.232.3000111.8L14 S40 F41L14-P38 HydrophobicContact CB-CG 4.34Å; P38-S40 PolarHBondContact O-N 2.83Å; P38-F41 HydrophobicContact CG-CD2 4.39Å; P38-F41 VanDerWaalsContact O-CB 3.29Å; P38-F41 WeakPolarHBondContact O-CB 3.18Å; P38-F41 PolarHBondContact O-N 3.32Å
39D91.2Very high96.5Very high143 Ų14349.9 Ų49.977%0.76525%0.245SC*.G310 helixtrans-61.4-28.3178.4-60-29.1000112.2F41 S42 A63D39-F41 PolarHBondContact O-N 3.4Å; D39-S42 PolarHBondContact O-N 2.72Å; D39-S42 PolarHBondContact O-OG 3.42Å; D39-A63 WeakPolarHBondContact O-CB 3.3Å
40S94.6Very high96.5Very high35 Ų3549.9 Ų49.925%0.24525%0.245CC..G310 helixtrans-65.1-3.8173.356.90000114.3C19 P38 S42 Q43C19-S40 WeakPolarHBondContact CB-O 3.08Å; C19-S40 WeakPolarHBondContact CB-OG 3.47Å; C19-S40 VanDerWaalsContact SG-C 3.59Å; C19-S40 PolarHBondContact SG-OG 3.28Å; P38-S40 PolarHBondContact O-N 2.83Å; S40-S42 PolarHBondContact O-N 3.47Å; S40-S42 VanDerWaalsContact O-N 3.15Å; S40-Q43 VanDerWaalsContact O-CB 3.31Å; S40-Q43 WeakPolarHBondContact O-CB 3.49Å; S40-Q43 WeakPolarHBondContact O-CG 3.26Å; S40-Q43 PolarHBondContact O-N 2.81Å
41F94.2Very high96.6Very high0 Ų049.2 Ų49.20%024%0.241CC..G310 helixtrans-52.9-33.4172.4-112.7-120.7000112.1L14 C19 L27 V37 P38 D39 Q43 L44 L50 A63 V64 L67L14-F41 HydrophobicContact CD1-CE2 3.63Å; L14-F41 HydrophobicContact CD1-CZ 3.47Å; L14-F41 VanDerWaalsContact CD1-CZ 3.47Å; C19-F41 VanDerWaalsContact SG-CD2 3.6Å; L27-F41 HydrophobicContact CD2-CE1 3.9Å; L27-F41 HydrophobicContact CD2-CZ 3.61Å; V37-F41 HydrophobicContact CB-CD1 4.15Å; V37-F41 HydrophobicContact CB-CD2 3.83Å; V37-F41 HydrophobicContact CB-CE1 4.27Å; V37-F41 HydrophobicContact CB-CE2 3.98Å; V37-F41 HydrophobicContact CB-CG 3.93Å; V37-F41 HydrophobicContact CB-CZ 4.2Å; V37-F41 HydrophobicContact CG1-CD1 4.43Å; V37-F41 HydrophobicContact CG1-CE1 4.17Å; V37-F41 HydrophobicContact CG1-CE2 4.43Å; V37-F41 HydrophobicContact CG1-CZ 4.18Å; V37-F41 HydrophobicContact CG2-CB 3.98Å; V37-F41 HydrophobicContact CG2-CD1 3.97Å; V37-F41 HydrophobicContact CG2-CD2 4.12Å; V37-F41 HydrophobicContact CG2-CG 3.74Å; P38-F41 HydrophobicContact CG-CD2 4.39Å; P38-F41 VanDerWaalsContact O-CB 3.29Å; P38-F41 WeakPolarHBondContact O-CB 3.18Å; P38-F41 PolarHBondContact O-N 3.32Å; D39-F41 PolarHBondContact O-N 3.4Å; F41-Q43 PolarHBondContact O-N 2.96Å; F41-L44 WeakPolarHBondContact O-CB 3.38Å; F41-L44 PolarHBondContact O-N 2.98Å; F41-L50 HydrophobicContact CE1-CD1 4.06Å; F41-L50 HydrophobicContact CE1-CD2 4.28Å; F41-A63 HydrophobicContact CB-CB 3.81Å; F41-V64 HydrophobicContact CD1-CG2 4.5Å; F41-L67 WeakPolarHBondContact O-CD2 3.35Å
42S95.1Very high96.6Very high27 Ų2748.3 Ų48.319%0.18923%0.232CC..G310 helixtrans-64.6-9.5179.1620000114D39 S40 L44 Q45 E66D39-S42 PolarHBondContact O-N 2.72Å; D39-S42 PolarHBondContact O-OG 3.42Å; S40-S42 PolarHBondContact O-N 3.47Å; S40-S42 VanDerWaalsContact O-N 3.15Å; S42-L44 VanDerWaalsContact C-N 3.27Å; S42-L44 PolarHBondContact O-N 3Å; S42-Q45 PolarHBondContact O-NE2 2.78Å; S42-E66 WeakPolarHBondContact CB-OE2 3.4Å; S42-E66 PolarHBondContact OG-OE2 2.99Å
43Q96Very high96.6Very high97 Ų9748.4 Ų48.445%0.45323%0.232SC..G310 helixtrans-73.4-19.8173.1-62.5178.5-24.900113M22 S40 F41 Q45M22-Q43 HydrophobicContact CE-CB 3.78Å; M22-Q43 HydrophobicContact CE-CG 4.42Å; M22-Q43 HydrophobicContact SD-CB 3.86Å; S40-Q43 VanDerWaalsContact O-CB 3.31Å; S40-Q43 WeakPolarHBondContact O-CB 3.49Å; S40-Q43 WeakPolarHBondContact O-CG 3.26Å; S40-Q43 PolarHBondContact O-N 2.81Å; F41-Q43 PolarHBondContact O-N 2.96Å; Q43-Q45 PolarHBondContact O-N 2.95Å
44L96.9Very high96.7Very high1 Ų148 Ų481%0.00523%0.234CC..  trans-77.652-178.2-60.5177.7000112.4L21 L24 L27 F41 S42 G46 L47 L67L21-L44 WeakPolarHBondContact O-CD2 3.39Å; L24-L44 HydrophobicContact CB-CD2 4.49Å; L27-L44 HydrophobicContact CD2-CD1 4.13Å; F41-L44 WeakPolarHBondContact O-CB 3.38Å; F41-L44 PolarHBondContact O-N 2.98Å; S42-L44 VanDerWaalsContact C-N 3.27Å; S42-L44 PolarHBondContact O-N 3Å; L44-G46 PolarHBondContact O-N 2.83Å; L44-L47 HydrophobicContact CB-CB 4.22Å; L44-L47 WeakPolarHBondContact O-CB 2.98Å; L44-L47 PolarHBondContact O-N 2.95Å; L44-L67 HydrophobicContact CB-CD2 4.18Å; L44-L67 WeakPolarHBondContact O-CD2 3.39Å
45Q96.6Very high96.7Very high84 Ų8448.5 Ų48.539%0.39324%0.236SC..THydrogen-bonded Turntrans-64.1-15.8-173-69.6-65.1-37.800114.2S42 Q43 E66 S69S42-Q45 PolarHBondContact O-NE2 2.78Å; Q43-Q45 PolarHBondContact O-N 2.95Å; Q45-E66 PolarHBondContact NE2-O 3.37Å; Q45-S69 WeakPolarHBondContact O-CB 3.46Å; Q45-S69 PolarHBondContact O-OG 3.02Å
46G97.4Very high96.8Very high31 Ų3145.8 Ų45.832%0.3223%0.228SC..THydrogen-bonded Turntrans-81.7-7.9171.700000114.8L24 L44 R48L24-G46 CarbonylContact O-C 3.49Å; L44-G46 PolarHBondContact O-N 2.83Å; G46-R48 PolarHBondContact O-N 3.46Å
47L98.5Very high96.9Very high0 Ų038 Ų380%019%0.194CC..  trans-69.7123.4-171.1-158.373.9000111.5L24 L27 L44 L50 L67 S69 L70L24-L47 HydrophobicContact CB-CD1 4.31Å; L24-L47 HydrophobicContact CD2-CD1 4.05Å; L24-L47 HydrophobicContact CG-CD1 4.01Å; L24-L47 WeakPolarHBondContact O-CA 3.3Å; L24-L47 PolarHBondContact O-N 3.32Å; L27-L47 HydrophobicContact CB-CD1 3.8Å; L27-L47 HydrophobicContact CB-CD2 4.2Å; L44-L47 HydrophobicContact CB-CB 4.22Å; L44-L47 WeakPolarHBondContact O-CB 2.98Å; L44-L47 PolarHBondContact O-N 2.95Å; L47-L50 HydrophobicContact CD2-CB 3.85Å; L47-L50 HydrophobicContact CD2-CD1 4.14Å; L47-L50 HydrophobicContact CD2-CD2 4.35Å; L47-L50 HydrophobicContact CD2-CG 4.34Å; L47-L67 HydrophobicContact CD2-CD1 3.94Å; L47-S69 CarbonylContact O-C 3.52Å; L47-S69 VanDerWaalsContact O-C 3.29Å; L47-L70 HydrophobicContact CB-CD2 4.48Å; L47-L70 HydrophobicContact CD2-CD2 4.28Å; L47-L70 HydrophobicContact CG-CD2 4.27Å; L47-L70 PolarHBondContact O-N 3.07Å
48R98.7Very high97Very high125 Ų12541.9 Ų41.947%0.47221%0.212SC..  trans-105.1-29.9-179.8-61.8-174.2-179.5-791112.5E25 G46 T71 H72E25-R48 PolarHBondContact O-N 2.83Å; G46-R48 PolarHBondContact O-N 3.46Å; R48-T71 PolarHBondContact O-N 3.06Å; R48-T71 PolarHBondContact O-OG1 2.99Å; R48-H72 PolarHBondContact O-N 2.94Å
49T98.9Very high97.2Very high13 Ų1345.7 Ų45.78%0.0823%0.231CC..EExtended strand (participates in β ladder)trans-131123.6-179.9-58.70000110.3E25 K26 L27 Y28 H72 Y74E25-T49 PolarHBondContact O-N 3.33Å; K26-T49 WeakPolarHBondContact CA-O 3.45Å; L27-T49 PolarHBondContact N-O 3.33Å; Y28-T49 HydrophobicContact CE1-CG2 4.25Å; T49-H72 WeakPolarHBondContact CA-O 3.48Å; T49-H72 HydrophobicContact CG2-CB 4.08Å; T49-Y74 HydrophobicContact CG2-CD2 4.45Å; T49-Y74 HydrophobicContact CG2-CE2 3.83Å
50L98.8Very high97.5Very high0 Ų039.1 Ų39.10%020%0.196CC..EExtended strand (participates in β ladder)trans-128.1121.8174.1176.858.3000109.7L27 F41 L47 L52 V64 L67 L70 H72 L73 Y74L27-L50 HydrophobicContact CB-CD1 4.08Å; L27-L50 HydrophobicContact CD2-CD1 4.13Å; L27-L50 HydrophobicContact CG-CD1 4.1Å; L27-L50 WeakPolarHBondContact O-CA 3.4Å; F41-L50 HydrophobicContact CE1-CD1 4.06Å; F41-L50 HydrophobicContact CE1-CD2 4.28Å; L47-L50 HydrophobicContact CD2-CB 3.85Å; L47-L50 HydrophobicContact CD2-CD1 4.14Å; L47-L50 HydrophobicContact CD2-CD2 4.35Å; L47-L50 HydrophobicContact CD2-CG 4.34Å; L50-L52 HydrophobicContact CD1-CD1 4.2Å; L50-L52 HydrophobicContact CD1-CG 4.01Å; L50-L52 HydrophobicContact CD2-CD1 3.8Å; L50-L52 HydrophobicContact CD2-CG 4.48Å; L50-L52 HydrophobicContact CG-CD1 3.94Å; L50-L52 HydrophobicContact CG-CG 4.09Å; L50-V64 HydrophobicContact CD2-CG1 3.95Å; L50-V64 HydrophobicContact CD2-CG2 4.08Å; L50-L67 HydrophobicContact CD2-CD1 4.23Å; L50-L70 HydrophobicContact CB-CD2 3.8Å; L50-H72 PolarHBondContact N-O 2.89Å; L50-L73 HydrophobicContact CB-CD1 4.04Å; L50-L73 HydrophobicContact CD2-CD1 4.04Å; L50-L73 HydrophobicContact CG-CD1 4.08Å; L50-L73 WeakPolarHBondContact O-CA 3.4Å; L50-Y74 PolarHBondContact O-N 2.89Å
51A98.8Very high97.6Very high2 Ų238.5 Ų38.52%0.01719%0.191CC..EExtended strand (participates in β ladder)trans-115.2117.7175.700000110.9L27 Y28 V29 C30 Y74L27-A51 PolarHBondContact O-N 3.19Å; Y28-A51 HydrophobicContact CD1-CB 3.66Å; Y28-A51 HydrophobicContact CE1-CB 4.32Å; V29-A51 PolarHBondContact N-O 3.37Å; C30-A51 WeakPolarHBondContact SG-CB 3.27Å; A51-Y74 HydrophobicContact CB-CD2 3.78Å; A51-Y74 HydrophobicContact CB-CG 4.37Å
52L98.5Very high97.7Very high0 Ų042.9 Ų42.90%021%0.214CC..  trans-12619.8-179.2-71.7164.1000111V29 L34 V37 L50 N55 L57 V64 Y74 L75 N78V29-L52 HydrophobicContact CB-CD2 4.05Å; V29-L52 HydrophobicContact CG2-CD2 4.35Å; L34-L52 HydrophobicContact CD1-CD2 4.07Å; V37-L52 HydrophobicContact CG1-CD1 4.35Å; V37-L52 HydrophobicContact CG1-CD2 4.18Å; L50-L52 HydrophobicContact CD1-CD1 4.2Å; L50-L52 HydrophobicContact CD1-CG 4.01Å; L50-L52 HydrophobicContact CD2-CD1 3.8Å; L50-L52 HydrophobicContact CD2-CG 4.48Å; L50-L52 HydrophobicContact CG-CD1 3.94Å; L50-L52 HydrophobicContact CG-CG 4.09Å; L52-N55 PolarHBondContact O-ND2 2.96Å; L52-L57 HydrophobicContact CB-CD1 4.18Å; L52-L57 HydrophobicContact CD1-CD1 4.27Å; L52-V64 HydrophobicContact CD1-CG2 4.41Å; L52-Y74 PolarHBondContact N-O 3.47Å; L52-L75 HydrophobicContact CB-CD2 3.85Å; L52-L75 HydrophobicContact CD1-CD2 3.99Å; L52-N78 PolarHBondContact O-ND2 2.74Å; L52-N78 VanDerWaalsContact O-ND2 3.07Å
53D98.3Very high97.8Very high13 Ų1342 Ų427%0.0721%0.208CC..  trans-59.8157.5180-47.3-76.7000112.2C30 G31 N55 Y74 L75 G76C30-D53 CarbonylContact C-O 3.54Å; C30-D53 WeakPolarHBondContact CA-O 3.2Å; G31-D53 PolarHBondContact N-O 3.23Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.07Å; D53-N55 PolarHBondContact O-ND2 3.15Å; D53-Y74 VanDerWaalsContact CG-CB 3.46Å; D53-Y74 VanDerWaalsContact OD1-CB 3.24Å; D53-Y74 WeakPolarHBondContact OD1-CB 3.42Å; D53-Y74 WeakPolarHBondContact OD2-CB 3.31Å; D53-L75 PolarHBondContact OD1-N 3.46Å; D53-G76 CarbonylContact C-O 3.15Å; D53-G76 WeakPolarHBondContact CA-O 3.48Å; D53-G76 WeakPolarHBondContact OD1-CA 3.39Å; D53-G76 PolarHBondContact OD1-N 3.03Å
54F98.4Very high97.9Very high106 Ų10637.3 Ų37.347%0.46519%0.186SC..SBendtrans55.746.9175.7-52.7-80.8000112.5G31 N32 G76 S77G31-F54 CarbonylContact C-O 3.48Å; G31-F54 VanDerWaalsContact CA-O 3.24Å; G31-F54 WeakPolarHBondContact CA-O 3.16Å; G31-F54 PolarHBondContact N-O 3.19Å; N32-F54 PolarHBondContact N-O 3.34Å; F54-G76 PolarHBondContact N-O 2.9Å; F54-S77 WeakPolarHBondContact CA-O 3.22Å; F54-S77 WeakPolarHBondContact CD1-OG 3.41Å; F54-S77 VanDerWaalsContact CE1-OG 3.22Å; F54-S77 WeakPolarHBondContact CE1-OG 3.32Å; F54-S77 PolarHBondContact N-O 2.94Å
55N98.6Very high98Very high11 Ų1137.3 Ų37.36%0.05919%0.186CC..SBendtrans-116.7-156.9174.3-85.8-74.2000110.4V29 N32 R33 L34 L52 D53 L57 S77 N78V29-N55 PolarHBondContact O-ND2 2.84Å; N32-N55 WeakPolarHBondContact CA-OD1 3.23Å; N32-N55 WeakPolarHBondContact CB-OD1 3.36Å; R33-N55 PolarHBondContact N-OD1 2.84Å; L34-N55 HydrophobicContact CB-CB 4.31Å; L34-N55 VanDerWaalsContact CB-OD1 3.3Å; L34-N55 WeakPolarHBondContact CB-OD1 3.28Å; L34-N55 WeakPolarHBondContact CG-OD1 3.34Å; L34-N55 PolarHBondContact N-OD1 3.39Å; L52-N55 PolarHBondContact O-ND2 2.96Å; D53-N55 VanDerWaalsContact C-N 3.33Å; D53-N55 PolarHBondContact O-N 3.07Å; D53-N55 PolarHBondContact O-ND2 3.15Å; N55-L57 HydrophobicContact CB-CG 4.4Å; N55-S77 PolarHBondContact N-O 3.41Å; N55-N78 WeakPolarHBondContact CA-OD1 3.29Å; N55-N78 WeakPolarHBondContact CB-OD1 3.37Å
56K98.3Very high98Very high73 Ų7337.8 Ų37.832%0.31719%0.188SC..  trans-130.132.7179.5-58.2-173.6179-169.80110.9L34 R35 E58 N78L34-K56 CarbonylContact O-C 3.29Å; L34-K56 VanDerWaalsContact O-CA 3.26Å; L34-K56 WeakPolarHBondContact O-CA 3.34Å; L34-K56 WeakPolarHBondContact O-CB 3.35Å; L34-K56 PolarHBondContact O-N 2.93Å; R35-K56 HydrophobicContact CG-CB 4.03Å; K56-E58 PolarHBondContact O-N 3.01Å; K56-N78 PolarHBondContact N-OD1 2.85Å
57L98.4Very high98.1Very high0 Ų036.3 Ų36.30%017%0.173CC..  trans-66.2125.2177.1-59.8177.4000108.8L34 R35 L52 N55 P61 L75 N78 R79 L80L34-L57 PolarHBondContact O-N 2.94Å; R35-L57 VanDerWaalsContact C-CD2 3.49Å; L52-L57 HydrophobicContact CB-CD1 4.18Å; L52-L57 HydrophobicContact CD1-CD1 4.27Å; N55-L57 HydrophobicContact CB-CG 4.4Å; L57-P61 HydrophobicContact CD2-CG 4.48Å; L57-L75 HydrophobicContact CD1-CD2 4.11Å; L57-N78 HydrophobicContact CB-CB 4.21Å; L57-N78 WeakPolarHBondContact CB-OD1 3.32Å; L57-N78 WeakPolarHBondContact CG-OD1 3.44Å; L57-N78 PolarHBondContact N-OD1 2.97Å; L57-R79 CarbonylContact O-C 3.4Å; L57-R79 WeakPolarHBondContact O-CA 3.34Å; L57-R79 WeakPolarHBondContact O-CB 3.37Å; L57-R79 PolarHBondContact O-N 3.13Å; L57-L80 HydrophobicContact CB-CD2 4.16Å
58E98.1Very high98Very high90 Ų9039.2 Ų39.242%0.42119%0.191SC..SBendtrans-94.7-25.4175.6-72.3167.1-169.200110.7R35 K56 R79R35-E58 IonicContact CZ-OE1 3.95Å; R35-E58 IonicContact NH1-OE1 2.72Å; R35-E58 PolarHBondContact NH1-OE1 3.17Å; R35-E58 IonicContact NH1-OE2 3.94Å; K56-E58 PolarHBondContact O-N 3.01Å; E58-R79 HydrophobicContact CG-CB 3.98Å; E58-R79 IonicContact OE1-NH1 3.4Å; E58-R79 PolarHBondContact OE1-NH1 3.48Å
59D97.6Very high98Very high108 Ų10835 Ų3558%0.57818%0.18SC*.SBendtrans-135.4158.2172.5-61.2-70.6000110.5P61D59-P61 WeakPolarHBondContact O-CD 3.38Å
60V97.9Very high98Very high6 Ų634.3 Ų34.34%0.03618%0.177CC..  trans-74119.4167.5-174.40000108.2L62 V64 L75 L80 L83 P84 F87V60-L62 PolarHBondContact O-N 3.33Å; V60-V64 HydrophobicContact CG1-CB 4.36Å; V60-V64 HydrophobicContact CG1-CG1 4.42Å; V60-L75 HydrophobicContact CG1-CD1 4.21Å; V60-L75 HydrophobicContact CG2-CD1 3.73Å; V60-L80 HydrophobicContact CG2-CD1 4.01Å; V60-L80 HydrophobicContact CG2-CD2 4.2Å; V60-L83 HydrophobicContact CG2-CD2 3.66Å; V60-P84 HydrophobicContact CB-CG 4.19Å; V60-F87 HydrophobicContact CG1-CD2 4.21Å; V60-F87 HydrophobicContact CG1-CE2 4.27Å
61P95.6Very high98Very high22 Ų2235.4 Ų35.414%0.14318%0.183CC..  trans-64.2136.1-179.8-21.534.1000111.6V37 L57 D59 A63 V64V37-P61 HydrophobicContact CG1-CG 4.43Å; V37-P61 HydrophobicContact CG2-CB 3.63Å; V37-P61 HydrophobicContact CG2-CG 3.81Å; L57-P61 HydrophobicContact CD2-CG 4.48Å; D59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-A63 PolarHBondContact O-N 3.3Å; P61-V64 HydrophobicContact CB-CG2 4.28Å; P61-V64 HydrophobicContact CG-CG2 4.4Å; P61-V64 VanDerWaalsContact O-CB 3.32Å; P61-V64 WeakPolarHBondContact O-CB 3.44Å; P61-V64 PolarHBondContact O-N 2.92Å
62L96.8Very high98Very high92 Ų9238.1 Ų38.148%0.48220%0.195SC..Hα-helixtrans-56.2-36.4-178.7-66-179.7000113.1V60 V64 C65 E66 P84 E86V60-L62 PolarHBondContact O-N 3.33Å; L62-V64 PolarHBondContact O-N 3.07Å; L62-V64 VanDerWaalsContact O-N 3.13Å; L62-C65 WeakPolarHBondContact O-CA 3.37Å; L62-C65 VanDerWaalsContact O-CB 3.31Å; L62-C65 WeakPolarHBondContact O-CB 3.37Å; L62-C65 PolarHBondContact O-N 2.83Å; L62-E66 PolarHBondContact O-N 2.96Å; L62-P84 HydrophobicContact CD2-CB 4.11Å; L62-P84 HydrophobicContact CD2-CG 4.4Å; L62-E86 HydrophobicContact CD2-CB 4.21Å; L62-E86 HydrophobicContact CD2-CG 4.05Å; L62-E86 WeakPolarHBondContact CD2-OE2 3.34Å
63A97Very high98.1Very high7 Ų738.1 Ų38.16%0.05820%0.195CC..Hα-helixtrans-58.1-26.6175.500000113.6D39 F41 P61D39-A63 WeakPolarHBondContact O-CB 3.3Å; F41-A63 HydrophobicContact CB-CB 3.81Å; P61-A63 PolarHBondContact O-N 3.3Å
64V98.1Very high98.1Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-73.5-37.2172.9176.10000110.9V37 F41 L50 L52 V60 P61 L62 E66 L67 L70 L73V37-V64 HydrophobicContact CG2-CG2 4.14Å; F41-V64 HydrophobicContact CD1-CG2 4.5Å; L50-V64 HydrophobicContact CD2-CG1 3.95Å; L50-V64 HydrophobicContact CD2-CG2 4.08Å; L52-V64 HydrophobicContact CD1-CG2 4.41Å; V60-V64 HydrophobicContact CG1-CB 4.36Å; V60-V64 HydrophobicContact CG1-CG1 4.42Å; P61-V64 HydrophobicContact CB-CG2 4.28Å; P61-V64 HydrophobicContact CG-CG2 4.4Å; P61-V64 VanDerWaalsContact O-CB 3.32Å; P61-V64 WeakPolarHBondContact O-CB 3.44Å; P61-V64 PolarHBondContact O-N 2.92Å; L62-V64 PolarHBondContact O-N 3.07Å; L62-V64 VanDerWaalsContact O-N 3.13Å; V64-E66 PolarHBondContact O-N 2.69Å; V64-L67 WeakPolarHBondContact O-CB 3.16Å; V64-L67 PolarHBondContact O-N 3.04Å; V64-L67 VanDerWaalsContact O-N 3.16Å; V64-L70 HydrophobicContact CG1-CD1 4.26Å; V64-L73 HydrophobicContact CG1-CD1 4.15Å; V64-L73 HydrophobicContact CG1-CD2 4.21Å
65C98.2Very high98.1Very high0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-67.6-18.7177.4-60.70000112.9L62 L67 E86 N89L62-C65 WeakPolarHBondContact O-CA 3.37Å; L62-C65 VanDerWaalsContact O-CB 3.31Å; L62-C65 WeakPolarHBondContact O-CB 3.37Å; L62-C65 PolarHBondContact O-N 2.83Å; C65-L67 VanDerWaalsContact C-N 3.33Å; C65-E86 HydrophobicContact CB-CB 3.82Å; C65-N89 VanDerWaalsContact O-CB 3.29Å; C65-N89 WeakPolarHBondContact O-CB 3.34Å
66E98.1Very high98.1Very high94 Ų9434.1 Ų34.144%0.43918%0.176SC..THydrogen-bonded Turntrans-82.9-6.9174.8-66.5177.3-174.200113.4S42 Q45 L62 V64 T68S42-E66 WeakPolarHBondContact CB-OE2 3.4Å; S42-E66 PolarHBondContact OG-OE2 2.99Å; Q45-E66 PolarHBondContact NE2-O 3.37Å; L62-E66 PolarHBondContact O-N 2.96Å; V64-E66 PolarHBondContact O-N 2.69Å; E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.04Å
67L98.1Very high98.1Very high1 Ų132.1 Ų32.11%0.00517%0.171CC..  trans-8470.6179.6-61.1179.9000111.6F41 L44 L47 L50 V64 C65 S69 L70 L90F41-L67 WeakPolarHBondContact O-CD2 3.35Å; L44-L67 HydrophobicContact CB-CD2 4.18Å; L44-L67 WeakPolarHBondContact O-CD2 3.39Å; L47-L67 HydrophobicContact CD2-CD1 3.94Å; L50-L67 HydrophobicContact CD2-CD1 4.23Å; V64-L67 WeakPolarHBondContact O-CB 3.16Å; V64-L67 PolarHBondContact O-N 3.04Å; V64-L67 VanDerWaalsContact O-N 3.16Å; C65-L67 VanDerWaalsContact C-N 3.33Å; L67-S69 PolarHBondContact O-N 3.02Å; L67-S69 VanDerWaalsContact O-N 3.09Å; L67-L70 HydrophobicContact CB-CD1 3.65Å; L67-L70 HydrophobicContact CB-CG 3.75Å; L67-L70 HydrophobicContact CD1-CD1 4.12Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 WeakPolarHBondContact O-CG 3.42Å; L67-L70 PolarHBondContact O-N 3.31Å; L67-L90 WeakPolarHBondContact O-CD2 3.41Å
68T97.7Very high98.1Very high60 Ų6032.4 Ų32.437%0.36817%0.172SC..THydrogen-bonded Turntrans-63.6-18-171.861.20000114.7E66 L70 N92E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.04Å; T68-L70 VanDerWaalsContact C-N 3.31Å; T68-N92 WeakPolarHBondContact O-CB 3.14Å; T68-N92 PolarHBondContact O-ND2 2.7Å
69S98.5Very high98.2Very high36 Ų3632 Ų3225%0.25217%0.167SC..THydrogen-bonded Turntrans-79.1-7.4174.5-64.50000114.4Q45 L47 L67 T71Q45-S69 WeakPolarHBondContact O-CB 3.46Å; Q45-S69 PolarHBondContact O-OG 3.02Å; L47-S69 CarbonylContact O-C 3.52Å; L47-S69 VanDerWaalsContact O-C 3.29Å; L67-S69 PolarHBondContact O-N 3.02Å; L67-S69 VanDerWaalsContact O-N 3.09Å; S69-T71 PolarHBondContact O-N 3.01Å
70L98.8Very high98.2Very high0 Ų026.9 Ų26.90%014%0.14CC..  trans-60.9132.5-178.5-79.5175.8000111.5L47 L50 V64 L67 T68 L73 L90 N92 L93L47-L70 HydrophobicContact CB-CD2 4.48Å; L47-L70 HydrophobicContact CD2-CD2 4.28Å; L47-L70 HydrophobicContact CG-CD2 4.27Å; L47-L70 PolarHBondContact O-N 3.07Å; L50-L70 HydrophobicContact CB-CD2 3.8Å; V64-L70 HydrophobicContact CG1-CD1 4.26Å; L67-L70 HydrophobicContact CB-CD1 3.65Å; L67-L70 HydrophobicContact CB-CG 3.75Å; L67-L70 HydrophobicContact CD1-CD1 4.12Å; L67-L70 WeakPolarHBondContact O-CB 3.4Å; L67-L70 WeakPolarHBondContact O-CG 3.42Å; L67-L70 PolarHBondContact O-N 3.31Å; T68-L70 VanDerWaalsContact C-N 3.31Å; L70-L73 HydrophobicContact CD1-CD1 4.48Å; L70-L90 HydrophobicContact CD1-CD2 4.34Å; L70-N92 CarbonylContact O-C 3.47Å; L70-N92 WeakPolarHBondContact O-CB 3.3Å; L70-L93 HydrophobicContact CB-CD1 4.28Å; L70-L93 WeakPolarHBondContact O-CA 3.24Å; L70-L93 PolarHBondContact O-N 2.79Å
71T98.9Very high98.2Very high22 Ų2231.6 Ų31.614%0.13516%0.162CC..SBendtrans-115.8-28.2174.260.80000111.8R48 S69 R94 C95R48-T71 PolarHBondContact O-N 3.06Å; R48-T71 PolarHBondContact O-OG1 2.99Å; S69-T71 PolarHBondContact O-N 3.01Å; T71-R94 WeakPolarHBondContact O-CA 3.44Å; T71-R94 PolarHBondContact O-N 3.05Å; T71-C95 PolarHBondContact O-N 3.07Å
72H98.9Very high98.4Very high60 Ų6034.4 Ų34.428%0.27818%0.18SC..EExtended strand (participates in β ladder)trans-131123.8178.6-61.474000109.2R48 T49 L50 Y74 C95R48-H72 PolarHBondContact O-N 2.94Å; T49-H72 WeakPolarHBondContact CA-O 3.48Å; T49-H72 HydrophobicContact CG2-CB 4.08Å; L50-H72 PolarHBondContact N-O 2.89Å; H72-Y74 HydrophobicContact CB-CE2 3.92Å; H72-C95 WeakPolarHBondContact CA-O 3.45Å; H72-C95 VanDerWaalsContact CD2-CB 3.41Å; H72-C95 WeakPolarHBondContact CD2-CB 3.48Å
73L98.9Very high98.5Very high0 Ų030.4 Ų30.40%016%0.159CC..EExtended strand (participates in β ladder)trans-130.8128.7176.8179.159.4000109.1L50 V64 L70 L75 F87 L90 L93 C95 F96 W97L50-L73 HydrophobicContact CB-CD1 4.04Å; L50-L73 HydrophobicContact CD2-CD1 4.04Å; L50-L73 HydrophobicContact CG-CD1 4.08Å; L50-L73 WeakPolarHBondContact O-CA 3.4Å; V64-L73 HydrophobicContact CG1-CD1 4.15Å; V64-L73 HydrophobicContact CG1-CD2 4.21Å; L70-L73 HydrophobicContact CD1-CD1 4.48Å; L73-L75 HydrophobicContact CD1-CD2 4.15Å; L73-L75 HydrophobicContact CD1-CG 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.11Å; L73-L75 HydrophobicContact CD2-CG 4.39Å; L73-L75 HydrophobicContact CG-CD1 4.31Å; L73-L75 HydrophobicContact CG-CG 4.04Å; L73-F87 HydrophobicContact CD2-CE2 3.87Å; L73-F87 HydrophobicContact CD2-CZ 3.94Å; L73-L90 HydrophobicContact CD2-CD1 4Å; L73-L93 HydrophobicContact CB-CD1 3.67Å; L73-L93 HydrophobicContact CB-CD2 4.49Å; L73-C95 PolarHBondContact N-O 3.3Å; L73-F96 HydrophobicContact CB-CD2 4.03Å; L73-F96 HydrophobicContact CB-CE2 4.5Å; L73-F96 HydrophobicContact CD2-CD2 4.16Å; L73-F96 HydrophobicContact CD2-CE2 3.92Å; L73-F96 HydrophobicContact CG-CD2 4.05Å; L73-F96 HydrophobicContact CG-CE2 4.01Å; L73-F96 WeakPolarHBondContact O-CA 3.38Å; L73-F96 WeakPolarHBondContact O-CD2 3.44Å; L73-W97 PolarHBondContact O-N 3.13Å
74Y98.9Very high98.5Very high45 Ų4531.2 Ų31.218%0.17616%0.163CC..EExtended strand (participates in β ladder)trans-122.6115.2-179.8-48.2-86.3000109.8T49 L50 A51 L52 D53 H72 W97T49-Y74 HydrophobicContact CG2-CD2 4.45Å; T49-Y74 HydrophobicContact CG2-CE2 3.83Å; L50-Y74 PolarHBondContact O-N 2.89Å; A51-Y74 HydrophobicContact CB-CD2 3.78Å; A51-Y74 HydrophobicContact CB-CG 4.37Å; L52-Y74 PolarHBondContact N-O 3.47Å; D53-Y74 VanDerWaalsContact CG-CB 3.46Å; D53-Y74 VanDerWaalsContact OD1-CB 3.24Å; D53-Y74 WeakPolarHBondContact OD1-CB 3.42Å; D53-Y74 WeakPolarHBondContact OD2-CB 3.31Å; H72-Y74 HydrophobicContact CB-CE2 3.92Å; Y74-W97 HydrophobicContact CD1-CB 3.74Å; Y74-W97 AromaticContact CD1-CD2 3.41Å; Y74-W97 HydrophobicContact CD1-CD2 3.41Å; Y74-W97 VanDerWaalsContact CD1-CD2 3.41Å; Y74-W97 AromaticContact CD1-CE3 3.52Å; Y74-W97 HydrophobicContact CD1-CE3 3.52Å; Y74-W97 AromaticContact CD1-CG 3.54Å; Y74-W97 HydrophobicContact CD1-CG 3.54Å; Y74-W97 HydrophobicContact CD1-CZ3 4.21Å; Y74-W97 AromaticContact CE1-CD2 3.57Å; Y74-W97 HydrophobicContact CE1-CD2 3.57Å; Y74-W97 AromaticContact CE1-CE2 3.7Å; Y74-W97 AromaticContact CE1-CE3 3.85Å; Y74-W97 HydrophobicContact CE1-CE3 3.85Å; Y74-W97 AromaticContact CE1-CG 3.92Å; Y74-W97 HydrophobicContact CE1-CG 3.92Å; Y74-W97 HydrophobicContact CE1-CH2 4.32Å; Y74-W97 HydrophobicContact CE1-CZ2 4.09Å; Y74-W97 HydrophobicContact CE1-CZ3 4.21Å
75L98.8Very high98.5Very high0 Ų035.4 Ų35.40%019%0.19CC..  trans-127.617.2-177.5-63.1-177.5000111.8L52 D53 L57 V60 L73 N78 L80 F96 W97 N101L52-L75 HydrophobicContact CB-CD2 3.85Å; L52-L75 HydrophobicContact CD1-CD2 3.99Å; D53-L75 PolarHBondContact OD1-N 3.46Å; L57-L75 HydrophobicContact CD1-CD2 4.11Å; V60-L75 HydrophobicContact CG1-CD1 4.21Å; V60-L75 HydrophobicContact CG2-CD1 3.73Å; L73-L75 HydrophobicContact CD1-CD2 4.15Å; L73-L75 HydrophobicContact CD1-CG 4.17Å; L73-L75 HydrophobicContact CD2-CD1 4.11Å; L73-L75 HydrophobicContact CD2-CG 4.39Å; L73-L75 HydrophobicContact CG-CD1 4.31Å; L73-L75 HydrophobicContact CG-CG 4.04Å; L75-N78 PolarHBondContact O-ND2 2.97Å; L75-L80 HydrophobicContact CB-CD1 3.92Å; L75-L80 HydrophobicContact CD1-CD1 3.92Å; L75-L80 HydrophobicContact CG-CD1 4.49Å; L75-F96 HydrophobicContact CB-CE2 4.28Å; L75-F96 HydrophobicContact CD1-CE2 3.77Å; L75-F96 HydrophobicContact CD1-CZ 4.04Å; L75-F96 HydrophobicContact CG-CE2 4.03Å; L75-W97 WeakPolarHBondContact CA-O 3.41Å; L75-W97 PolarHBondContact N-O 3.42Å; L75-N101 PolarHBondContact O-ND2 3.31Å
76G98.7Very high98.5Very high0 Ų039.2 Ų39.20%021%0.208CC..  trans-59.8154.3179.400000112.5D53 F54 N78 E99D53-G76 CarbonylContact C-O 3.15Å; D53-G76 WeakPolarHBondContact CA-O 3.48Å; D53-G76 WeakPolarHBondContact OD1-CA 3.39Å; D53-G76 PolarHBondContact OD1-N 3.03Å; F54-G76 PolarHBondContact N-O 2.9Å; G76-N78 PolarHBondContact O-N 3.19Å; G76-N78 PolarHBondContact O-ND2 2.91Å; G76-E99 CarbonylContact C-O 3.6Å; G76-E99 WeakPolarHBondContact CA-O 3.1Å
77S98.7Very high98.5Very high31 Ų3134.7 Ų34.722%0.21719%0.187CC..SBendtrans53.149.6177.9-65.40000113.6F54 N55 E99 S100F54-S77 WeakPolarHBondContact CA-O 3.22Å; F54-S77 WeakPolarHBondContact CD1-OG 3.41Å; F54-S77 VanDerWaalsContact CE1-OG 3.22Å; F54-S77 WeakPolarHBondContact CE1-OG 3.32Å; F54-S77 PolarHBondContact N-O 2.94Å; N55-S77 PolarHBondContact N-O 3.41Å; S77-E99 PolarHBondContact N-O 3.23Å; S77-S100 WeakPolarHBondContact CA-O 3.19Å
78N98.8Very high98.5Very high6 Ų636.2 Ų36.23%0.03220%0.197CC..SBendtrans-116.7-152.9171.8-84.3-76.2000109.7L52 N55 K56 L57 L75 G76 L80 N101L52-N78 PolarHBondContact O-ND2 2.74Å; L52-N78 VanDerWaalsContact O-ND2 3.07Å; N55-N78 WeakPolarHBondContact CA-OD1 3.29Å; N55-N78 WeakPolarHBondContact CB-OD1 3.37Å; K56-N78 PolarHBondContact N-OD1 2.85Å; L57-N78 HydrophobicContact CB-CB 4.21Å; L57-N78 WeakPolarHBondContact CB-OD1 3.32Å; L57-N78 WeakPolarHBondContact CG-OD1 3.44Å; L57-N78 PolarHBondContact N-OD1 2.97Å; L75-N78 PolarHBondContact O-ND2 2.97Å; G76-N78 PolarHBondContact O-N 3.19Å; G76-N78 PolarHBondContact O-ND2 2.91Å; N78-L80 HydrophobicContact CB-CG 4.15Å; N78-N101 WeakPolarHBondContact CA-OD1 2.82Å; N78-N101 VanDerWaalsContact CB-OD1 3.28Å; N78-N101 WeakPolarHBondContact CB-OD1 3.38Å; N78-N101 PolarHBondContact N-OD1 3.46Å; N78-N101 PolarHBondContact O-OD1 2.96Å
79R98.5Very high98.5Very high83 Ų8336.9 Ų36.931%0.31320%0.198SC..  trans-126.725.5-179.3-54.8175.5176.4-166.6-12111.9L57 E58 N101 Y102L57-R79 CarbonylContact O-C 3.4Å; L57-R79 WeakPolarHBondContact O-CA 3.34Å; L57-R79 WeakPolarHBondContact O-CB 3.37Å; L57-R79 PolarHBondContact O-N 3.13Å; E58-R79 HydrophobicContact CG-CB 3.98Å; E58-R79 IonicContact OE1-NH1 3.4Å; E58-R79 PolarHBondContact OE1-NH1 3.48Å; R79-N101 PolarHBondContact N-OD1 3.16Å; R79-Y102 HydrophobicContact CB-CD2 4.1Å; R79-Y102 HydrophobicContact CB-CE2 3.8Å; R79-Y102 HydrophobicContact CG-CE2 3.98Å
80L98.7Very high98.6Very high0 Ų035.2 Ų35.20%019%0.186CC..  trans-69.1139-174.9-56.2177000110.5L57 V60 L75 N78 N101 Y102 F103L57-L80 HydrophobicContact CB-CD2 4.16Å; V60-L80 HydrophobicContact CG2-CD1 4.01Å; V60-L80 HydrophobicContact CG2-CD2 4.2Å; L75-L80 HydrophobicContact CB-CD1 3.92Å; L75-L80 HydrophobicContact CD1-CD1 3.92Å; L75-L80 HydrophobicContact CG-CD1 4.49Å; N78-L80 HydrophobicContact CB-CG 4.15Å; L80-N101 HydrophobicContact CB-CB 4.28Å; L80-N101 WeakPolarHBondContact CB-OD1 3.02Å; L80-N101 WeakPolarHBondContact CG-OD1 3.19Å; L80-N101 PolarHBondContact N-OD1 3.35Å; L80-Y102 CarbonylContact O-C 3.47Å; L80-Y102 WeakPolarHBondContact O-CA 3.26Å; L80-Y102 PolarHBondContact O-N 2.78Å; L80-F103 HydrophobicContact CB-CE2 3.67Å; L80-F103 HydrophobicContact CB-CZ 4.07Å
81M98.4Very high98.5Very high104 Ų10439.4 Ų39.451%0.51220%0.204SC..  trans-116.2-23.7175.1-64-171.8-172.600112.8Y102 F103M81-Y102 HydrophobicContact CE-CD2 4.28Å; M81-F103 WeakPolarHBondContact O-CD1 3.06Å
82T98.4Very high98.5Very high82 Ų8241.7 Ų41.750%0.50322%0.216SC..  trans-148.4168-174.750.60000110.2
83L98.4Very high98.5Very high8 Ų838.9 Ų38.94%0.04220%0.203CC..  trans-109146165.2-60.2179.5000108.9V60 F87 F96 F103 P107 E109 L110V60-L83 HydrophobicContact CG2-CD2 3.66Å; L83-F87 HydrophobicContact CB-CB 4.21Å; L83-F87 HydrophobicContact CB-CG 4.26Å; L83-F87 HydrophobicContact CD1-CD1 3.81Å; L83-F87 HydrophobicContact CD1-CD2 4.4Å; L83-F87 HydrophobicContact CD1-CE1 3.95Å; L83-F87 HydrophobicContact CD1-CG 4.05Å; L83-F87 HydrophobicContact CD1-CZ 4.31Å; L83-F87 HydrophobicContact CD2-CD2 4.15Å; L83-F87 HydrophobicContact CD2-CE2 4.15Å; L83-F96 HydrophobicContact CD1-CE1 3.96Å; L83-F96 HydrophobicContact CD2-CE1 4.38Å; L83-F96 HydrophobicContact CD2-CZ 4.16Å; L83-F103 HydrophobicContact CD2-CE1 4.4Å; L83-F103 HydrophobicContact CD2-CZ 3.88Å; L83-F103 HydrophobicContact CG-CE1 4.09Å; L83-F103 HydrophobicContact CG-CZ 4.08Å; L83-P107 HydrophobicContact CB-CB 4.24Å; L83-P107 HydrophobicContact CD1-CB 3.69Å; L83-P107 HydrophobicContact CD1-CG 3.72Å; L83-P107 HydrophobicContact CG-CB 3.85Å; L83-P107 HydrophobicContact CG-CG 4.17Å; L83-E109 HydrophobicContact CB-CG 4.43Å; L83-L110 HydrophobicContact CD1-CD1 4.46Å; L83-L110 HydrophobicContact CD1-CD2 3.72Å; L83-L110 HydrophobicContact CD1-CG 3.96Å
84P97.8Very high98.5Very high24 Ų2443.6 Ų43.616%0.15622%0.22CC..  trans-73.6152.9173.732.2-35.7000110.9V60 L62 E86 F87V60-P84 HydrophobicContact CB-CG 4.19Å; L62-P84 HydrophobicContact CD2-CB 4.11Å; L62-P84 HydrophobicContact CD2-CG 4.4Å; P84-E86 PolarHBondContact O-N 3.18Å; P84-E86 VanDerWaalsContact O-N 3.14Å; P84-F87 WeakPolarHBondContact O-CB 3.42Å; P84-F87 PolarHBondContact O-N 2.85Å
85P98.2Very high98.5Very high88 Ų8842 Ų4257%0.57122%0.216SC*.G310 helixtrans-53.8-34178.5-27.435.7000114.3F87 T88P85-F87 PolarHBondContact O-N 3.01Å; P85-F87 VanDerWaalsContact O-N 3.13Å; P85-T88 WeakPolarHBondContact O-CG2 3.44Å; P85-T88 PolarHBondContact O-N 3.18Å; P85-T88 PolarHBondContact O-OG1 2.82Å
86E98.2Very high98.5Very high79 Ų7942 Ų4237%0.36922%0.216SC..G310 helixtrans-63.1-15.7177.7-64.378.8-177.200112.6L62 C65 P84 T88 N89L62-E86 HydrophobicContact CD2-CB 4.21Å; L62-E86 HydrophobicContact CD2-CG 4.05Å; L62-E86 WeakPolarHBondContact CD2-OE2 3.34Å; C65-E86 HydrophobicContact CB-CB 3.82Å; P84-E86 PolarHBondContact O-N 3.18Å; P84-E86 VanDerWaalsContact O-N 3.14Å; E86-T88 PolarHBondContact O-N 3.01Å; E86-T88 VanDerWaalsContact O-N 3.09Å; E86-N89 WeakPolarHBondContact O-CB 3.24Å; E86-N89 VanDerWaalsContact O-CG 3.24Å; E86-N89 PolarHBondContact O-N 2.98Å; E86-N89 PolarHBondContact O-ND2 3.25Å
87F98.6Very high98.5Very high0 Ų046.4 Ų46.40%023%0.233CC..G310 helixtrans-58.1-25.4174.6-158.7-89.6000112.2V60 L73 L83 P84 P85 N89 L90 L93 F96 E109 L110 L113V60-F87 HydrophobicContact CG1-CD2 4.21Å; V60-F87 HydrophobicContact CG1-CE2 4.27Å; L73-F87 HydrophobicContact CD2-CE2 3.87Å; L73-F87 HydrophobicContact CD2-CZ 3.94Å; L83-F87 HydrophobicContact CB-CB 4.21Å; L83-F87 HydrophobicContact CB-CG 4.26Å; L83-F87 HydrophobicContact CD1-CD1 3.81Å; L83-F87 HydrophobicContact CD1-CD2 4.4Å; L83-F87 HydrophobicContact CD1-CE1 3.95Å; L83-F87 HydrophobicContact CD1-CG 4.05Å; L83-F87 HydrophobicContact CD1-CZ 4.31Å; L83-F87 HydrophobicContact CD2-CD2 4.15Å; L83-F87 HydrophobicContact CD2-CE2 4.15Å; P84-F87 WeakPolarHBondContact O-CB 3.42Å; P84-F87 PolarHBondContact O-N 2.85Å; P85-F87 PolarHBondContact O-N 3.01Å; P85-F87 VanDerWaalsContact O-N 3.13Å; F87-N89 PolarHBondContact O-N 2.82Å; F87-N89 VanDerWaalsContact O-N 3.12Å; F87-L90 HydrophobicContact CD2-CD1 4.1Å; F87-L90 HydrophobicContact CE1-CD1 4.25Å; F87-L90 HydrophobicContact CE2-CD1 3.8Å; F87-L90 HydrophobicContact CG-CD1 4.45Å; F87-L90 HydrophobicContact CZ-CD1 3.88Å; F87-L90 PolarHBondContact O-N 3.38Å; F87-L93 HydrophobicContact CE1-CD2 4.13Å; F87-L93 HydrophobicContact CZ-CD2 4.11Å; F87-F96 HydrophobicContact CE1-CD1 4.01Å; F87-F96 AromaticContact CE1-CE1 3.7Å; F87-F96 HydrophobicContact CE1-CE1 3.7Å; F87-F96 HydrophobicContact CE1-CZ 4.2Å; F87-F96 HydrophobicContact CE2-CE1 4.24Å; F87-F96 HydrophobicContact CE2-CE2 4.4Å; F87-F96 AromaticContact CE2-CZ 3.91Å; F87-F96 HydrophobicContact CE2-CZ 3.91Å; F87-F96 AromaticContact CZ-CD1 3.84Å; F87-F96 HydrophobicContact CZ-CD1 3.84Å; F87-F96 HydrophobicContact CZ-CD2 4.26Å; F87-F96 AromaticContact CZ-CE1 3.34Å; F87-F96 HydrophobicContact CZ-CE1 3.34Å; F87-F96 AromaticContact CZ-CE2 3.85Å; F87-F96 HydrophobicContact CZ-CE2 3.85Å; F87-F96 HydrophobicContact CZ-CG 4.3Å; F87-F96 AromaticContact CZ-CZ 3.37Å; F87-F96 HydrophobicContact CZ-CZ 3.37Å; F87-E109 HydrophobicContact CB-CB 4.27Å; F87-L110 HydrophobicContact CD1-CD2 4Å; F87-L110 HydrophobicContact CE1-CD2 3.61Å; F87-L113 HydrophobicContact CD1-CD1 4.11Å; F87-L113 HydrophobicContact CE1-CD1 3.83Å
88T98.1Very high98.5Very high33 Ų3345 Ų4520%0.20222%0.222CC..G310 helixtrans-61.3-15.3172.961.40000113.6P85 E86 L90 K91 E109 D112P85-T88 WeakPolarHBondContact O-CG2 3.44Å; P85-T88 PolarHBondContact O-N 3.18Å; P85-T88 PolarHBondContact O-OG1 2.82Å; E86-T88 PolarHBondContact O-N 3.01Å; E86-T88 VanDerWaalsContact O-N 3.09Å; T88-L90 VanDerWaalsContact C-N 3.27Å; T88-L90 PolarHBondContact O-N 2.94Å; T88-K91 WeakPolarHBondContact O-CD 3.45Å; T88-K91 WeakPolarHBondContact O-CE 3.43Å; T88-K91 PolarHBondContact O-NZ 3.09Å; T88-E109 HydrophobicContact CG2-CB 3.93Å; T88-E109 HydrophobicContact CG2-CG 4.31Å; T88-D112 HydrophobicContact CG2-CB 4.11Å
89N98.4Very high98.5Very high74 Ų7445.6 Ų45.640%0.39623%0.225SC..G310 helixtrans-70.2-19.7176.2-67.6-20.7000113.4C65 E86 F87 K91C65-N89 VanDerWaalsContact O-CB 3.29Å; C65-N89 WeakPolarHBondContact O-CB 3.34Å; E86-N89 WeakPolarHBondContact O-CB 3.24Å; E86-N89 VanDerWaalsContact O-CG 3.24Å; E86-N89 PolarHBondContact O-N 2.98Å; E86-N89 PolarHBondContact O-ND2 3.25Å; F87-N89 PolarHBondContact O-N 2.82Å; F87-N89 VanDerWaalsContact O-N 3.12Å; N89-K91 PolarHBondContact O-N 3.01Å
90L98.6Very high98.5Very high0 Ų043.6 Ų43.60%022%0.224CC..  trans-7852.6-176.4-58.6-176.6000112.6L67 L70 L73 F87 T88 N92 L93 L113L67-L90 WeakPolarHBondContact O-CD2 3.41Å; L70-L90 HydrophobicContact CD1-CD2 4.34Å; L73-L90 HydrophobicContact CD2-CD1 4Å; F87-L90 HydrophobicContact CD2-CD1 4.1Å; F87-L90 HydrophobicContact CE1-CD1 4.25Å; F87-L90 HydrophobicContact CE2-CD1 3.8Å; F87-L90 HydrophobicContact CG-CD1 4.45Å; F87-L90 HydrophobicContact CZ-CD1 3.88Å; F87-L90 PolarHBondContact O-N 3.38Å; T88-L90 VanDerWaalsContact C-N 3.27Å; T88-L90 PolarHBondContact O-N 2.94Å; L90-N92 PolarHBondContact O-N 3.16Å; L90-N92 VanDerWaalsContact O-N 3.1Å; L90-L93 HydrophobicContact CB-CB 4.16Å; L90-L93 HydrophobicContact CB-CD2 4.48Å; L90-L93 HydrophobicContact CD1-CD2 4.37Å; L90-L93 WeakPolarHBondContact O-CB 3.5Å; L90-L93 PolarHBondContact O-N 2.8Å; L90-L113 HydrophobicContact CB-CD2 4.5Å
91K98.3Very high98.5Very high88 Ų8843.7 Ų43.738%0.38322%0.224SC..THydrogen-bonded Turntrans-61.5-22.5-172.2-61.2-54.8-170.7-159.70114.3T88 N89 D112 N115T88-K91 WeakPolarHBondContact O-CD 3.45Å; T88-K91 WeakPolarHBondContact O-CE 3.43Å; T88-K91 PolarHBondContact O-NZ 3.09Å; N89-K91 PolarHBondContact O-N 3.01Å; K91-D112 PolarHBondContact NZ-O 3.17Å; K91-N115 PolarHBondContact O-ND2 3.13Å
92N98.7Very high98.5Very high71 Ų7142.9 Ų42.938%0.3822%0.216SC..THydrogen-bonded Turntrans-88.6-2.4177.8-70.3-55.9000113.8T68 L70 L90 R94T68-N92 WeakPolarHBondContact O-CB 3.14Å; T68-N92 PolarHBondContact O-ND2 2.7Å; L70-N92 CarbonylContact O-C 3.47Å; L70-N92 WeakPolarHBondContact O-CB 3.3Å; L90-N92 PolarHBondContact O-N 3.16Å; L90-N92 VanDerWaalsContact O-N 3.1Å; N92-R94 WeakPolarHBondContact O-CG 3.41Å; N92-R94 PolarHBondContact O-N 3.28Å
93L98.8Very high98.5Very high0 Ų039 Ų390%019%0.192CC..  trans-66.4127.7-175.8-162.268.7000110.6L70 L73 F87 L90 F96 L113 N115 L116L70-L93 HydrophobicContact CB-CD1 4.28Å; L70-L93 WeakPolarHBondContact O-CA 3.24Å; L70-L93 PolarHBondContact O-N 2.79Å; L73-L93 HydrophobicContact CB-CD1 3.67Å; L73-L93 HydrophobicContact CB-CD2 4.49Å; F87-L93 HydrophobicContact CE1-CD2 4.13Å; F87-L93 HydrophobicContact CZ-CD2 4.11Å; L90-L93 HydrophobicContact CB-CB 4.16Å; L90-L93 HydrophobicContact CB-CD2 4.48Å; L90-L93 HydrophobicContact CD1-CD2 4.37Å; L90-L93 WeakPolarHBondContact O-CB 3.5Å; L90-L93 PolarHBondContact O-N 2.8Å; L93-F96 HydrophobicContact CD2-CB 3.81Å; L93-F96 HydrophobicContact CD2-CD1 4.44Å; L93-F96 HydrophobicContact CD2-CD2 4.4Å; L93-F96 HydrophobicContact CD2-CG 3.98Å; L93-F96 HydrophobicContact CG-CB 4.44Å; L93-L113 HydrophobicContact CD2-CD1 4.16Å; L93-N115 CarbonylContact O-C 3.3Å; L93-L116 HydrophobicContact CD2-CD1 4.47Å; L93-L116 HydrophobicContact CG-CD1 4.38Å; L93-L116 VanDerWaalsContact O-CA 3.31Å; L93-L116 WeakPolarHBondContact O-CA 3.41Å; L93-L116 PolarHBondContact O-N 2.9Å; L93-L116 VanDerWaalsContact O-N 3.15Å
94R98.9Very high98.5Very high99 Ų9944.1 Ų44.137%0.37422%0.216SC..  trans-114.4-35.1-177.5-60.7179.5-172.3-89.14.9112.2T71 N92 N115 K117 S118T71-R94 WeakPolarHBondContact O-CA 3.44Å; T71-R94 PolarHBondContact O-N 3.05Å; N92-R94 WeakPolarHBondContact O-CG 3.41Å; N92-R94 PolarHBondContact O-N 3.28Å; R94-N115 WeakPolarHBondContact CA-O 3.42Å; R94-N115 HydrophobicContact CG-CB 4.44Å; R94-K117 PolarHBondContact O-N 3.35Å; R94-S118 PolarHBondContact O-N 2.82Å
95C98.9Very high98.5Very high13 Ų1352.7 Ų52.79%0.08825%0.245CC..EExtended strand (participates in β ladder)trans-128.5124.5180-176.20000109.2T71 H72 L73 W97 S118T71-C95 PolarHBondContact O-N 3.07Å; H72-C95 WeakPolarHBondContact CA-O 3.45Å; H72-C95 VanDerWaalsContact CD2-CB 3.41Å; H72-C95 WeakPolarHBondContact CD2-CB 3.48Å; L73-C95 PolarHBondContact N-O 3.3Å; C95-W97 VanDerWaalsContact SG-CD1 3.57Å; C95-W97 PolarHBondContact SG-NE1 2.87Å; C95-S118 WeakPolarHBondContact CA-O 3.49Å
96F98.9Very high98.5Very high0 Ų049.1 Ų49.10%022%0.221CC..EExtended strand (participates in β ladder)trans-133.6121.7178.2-174.5-149.1000111.4L73 L75 L83 F87 L93 L98 L110 L116 S118 L119 Q120L73-F96 HydrophobicContact CB-CD2 4.03Å; L73-F96 HydrophobicContact CB-CE2 4.5Å; L73-F96 HydrophobicContact CD2-CD2 4.16Å; L73-F96 HydrophobicContact CD2-CE2 3.92Å; L73-F96 HydrophobicContact CG-CD2 4.05Å; L73-F96 HydrophobicContact CG-CE2 4.01Å; L73-F96 WeakPolarHBondContact O-CA 3.38Å; L73-F96 WeakPolarHBondContact O-CD2 3.44Å; L75-F96 HydrophobicContact CB-CE2 4.28Å; L75-F96 HydrophobicContact CD1-CE2 3.77Å; L75-F96 HydrophobicContact CD1-CZ 4.04Å; L75-F96 HydrophobicContact CG-CE2 4.03Å; L83-F96 HydrophobicContact CD1-CE1 3.96Å; L83-F96 HydrophobicContact CD2-CE1 4.38Å; L83-F96 HydrophobicContact CD2-CZ 4.16Å; F87-F96 HydrophobicContact CE1-CD1 4.01Å; F87-F96 AromaticContact CE1-CE1 3.7Å; F87-F96 HydrophobicContact CE1-CE1 3.7Å; F87-F96 HydrophobicContact CE1-CZ 4.2Å; F87-F96 HydrophobicContact CE2-CE1 4.24Å; F87-F96 HydrophobicContact CE2-CE2 4.4Å; F87-F96 AromaticContact CE2-CZ 3.91Å; F87-F96 HydrophobicContact CE2-CZ 3.91Å; F87-F96 AromaticContact CZ-CD1 3.84Å; F87-F96 HydrophobicContact CZ-CD1 3.84Å; F87-F96 HydrophobicContact CZ-CD2 4.26Å; F87-F96 AromaticContact CZ-CE1 3.34Å; F87-F96 HydrophobicContact CZ-CE1 3.34Å; F87-F96 AromaticContact CZ-CE2 3.85Å; F87-F96 HydrophobicContact CZ-CE2 3.85Å; F87-F96 HydrophobicContact CZ-CG 4.3Å; F87-F96 AromaticContact CZ-CZ 3.37Å; F87-F96 HydrophobicContact CZ-CZ 3.37Å; L93-F96 HydrophobicContact CD2-CB 3.81Å; L93-F96 HydrophobicContact CD2-CD1 4.44Å; L93-F96 HydrophobicContact CD2-CD2 4.4Å; L93-F96 HydrophobicContact CD2-CG 3.98Å; L93-F96 HydrophobicContact CG-CB 4.44Å; F96-L98 HydrophobicContact CD1-CD2 3.64Å; F96-L98 HydrophobicContact CD2-CD2 4.39Å; F96-L98 HydrophobicContact CE1-CB 4.49Å; F96-L98 HydrophobicContact CE1-CD1 4.12Å; F96-L98 HydrophobicContact CE1-CD2 3.6Å; F96-L98 HydrophobicContact CE1-CG 4.3Å; F96-L98 HydrophobicContact CE2-CB 4.3Å; F96-L98 HydrophobicContact CE2-CD2 4.34Å; F96-L98 HydrophobicContact CG-CD2 4.04Å; F96-L98 HydrophobicContact CZ-CB 4.04Å; F96-L98 HydrophobicContact CZ-CD1 4.32Å; F96-L98 HydrophobicContact CZ-CD2 3.96Å; F96-L98 HydrophobicContact CZ-CG 4.34Å; F96-L110 HydrophobicContact CD1-CD2 3.8Å; F96-L110 HydrophobicContact CE1-CD2 3.92Å; F96-L116 HydrophobicContact CB-CD1 3.8Å; F96-S118 PolarHBondContact N-O 3.48Å; F96-L119 HydrophobicContact CB-CD1 4.22Å; F96-L119 HydrophobicContact CD1-CD1 3.96Å; F96-L119 HydrophobicContact CG-CD1 4.44Å; F96-L119 WeakPolarHBondContact O-CA 3.46Å; F96-Q120 PolarHBondContact O-N 3.25Å
97W98.8Very high98.5Very high92 Ų9245.7 Ų45.735%0.34821%0.206SC..EExtended strand (participates in β ladder)trans-113.9127.9179.4-69.716.5000110.1L73 Y74 L75 C95 E99 Q120L73-W97 PolarHBondContact O-N 3.13Å; Y74-W97 HydrophobicContact CD1-CB 3.74Å; Y74-W97 AromaticContact CD1-CD2 3.41Å; Y74-W97 HydrophobicContact CD1-CD2 3.41Å; Y74-W97 VanDerWaalsContact CD1-CD2 3.41Å; Y74-W97 AromaticContact CD1-CE3 3.52Å; Y74-W97 HydrophobicContact CD1-CE3 3.52Å; Y74-W97 AromaticContact CD1-CG 3.54Å; Y74-W97 HydrophobicContact CD1-CG 3.54Å; Y74-W97 HydrophobicContact CD1-CZ3 4.21Å; Y74-W97 AromaticContact CE1-CD2 3.57Å; Y74-W97 HydrophobicContact CE1-CD2 3.57Å; Y74-W97 AromaticContact CE1-CE2 3.7Å; Y74-W97 AromaticContact CE1-CE3 3.85Å; Y74-W97 HydrophobicContact CE1-CE3 3.85Å; Y74-W97 AromaticContact CE1-CG 3.92Å; Y74-W97 HydrophobicContact CE1-CG 3.92Å; Y74-W97 HydrophobicContact CE1-CH2 4.32Å; Y74-W97 HydrophobicContact CE1-CZ2 4.09Å; Y74-W97 HydrophobicContact CE1-CZ3 4.21Å; L75-W97 WeakPolarHBondContact CA-O 3.41Å; L75-W97 PolarHBondContact N-O 3.42Å; C95-W97 VanDerWaalsContact SG-CD1 3.57Å; C95-W97 PolarHBondContact SG-NE1 2.87Å; W97-E99 VanDerWaalsContact CB-OE2 3.3Å; W97-E99 WeakPolarHBondContact CB-OE2 3.35Å; W97-Q120 HydrophobicContact CB-CB 4.15Å; W97-Q120 VanDerWaalsContact CD1-CG 3.43Å; W97-Q120 HydrophobicContact CD2-CB 4.46Å; W97-Q120 HydrophobicContact CD2-CG 4.1Å; W97-Q120 HydrophobicContact CG-CB 3.82Å; W97-Q120 HydrophobicContact CG-CG 3.85Å
98L98.1Very high98.3Very high0 Ų053.7 Ų53.70%024%0.236CC..  trans-149.724.7-177.564.1156.7000111.2F96 N101 F103 L119 Q120 M121 N124F96-L98 HydrophobicContact CD1-CD2 3.64Å; F96-L98 HydrophobicContact CD2-CD2 4.39Å; F96-L98 HydrophobicContact CE1-CB 4.49Å; F96-L98 HydrophobicContact CE1-CD1 4.12Å; F96-L98 HydrophobicContact CE1-CD2 3.6Å; F96-L98 HydrophobicContact CE1-CG 4.3Å; F96-L98 HydrophobicContact CE2-CB 4.3Å; F96-L98 HydrophobicContact CE2-CD2 4.34Å; F96-L98 HydrophobicContact CG-CD2 4.04Å; F96-L98 HydrophobicContact CZ-CB 4.04Å; F96-L98 HydrophobicContact CZ-CD1 4.32Å; F96-L98 HydrophobicContact CZ-CD2 3.96Å; F96-L98 HydrophobicContact CZ-CG 4.34Å; L98-N101 PolarHBondContact O-ND2 2.95Å; L98-F103 HydrophobicContact CD1-CD2 4.05Å; L98-F103 HydrophobicContact CD1-CE1 4.46Å; L98-F103 HydrophobicContact CD1-CE2 3.64Å; L98-F103 HydrophobicContact CD1-CZ 3.88Å; L98-L119 HydrophobicContact CD2-CD1 3.48Å; L98-L119 VanDerWaalsContact CD2-CD1 3.48Å; L98-Q120 CarbonylContact C-O 3.34Å; L98-Q120 WeakPolarHBondContact CD2-O 3.23Å; L98-Q120 WeakPolarHBondContact CG-O 3.24Å; L98-Q120 PolarHBondContact N-O 2.84Å; L98-M121 HydrophobicContact CD1-CE 3.76Å; L98-M121 HydrophobicContact CD1-CG 3.79Å; L98-M121 HydrophobicContact CD1-SD 4.15Å; L98-M121 HydrophobicContact CD2-CG 3.52Å; L98-M121 HydrophobicContact CD2-SD 4.47Å; L98-M121 HydrophobicContact CG-CG 3.62Å; L98-N124 PolarHBondContact O-ND2 2.82Å; L98-N124 VanDerWaalsContact O-ND2 3.13Å
99E98.6Very high98.3Very high20 Ų2054.1 Ų54.19%0.09324%0.235CC..  trans-58.7158.5173.370.1-73.6170.500112.1G76 S77 W97 N101 Q120 G122G76-E99 CarbonylContact C-O 3.6Å; G76-E99 WeakPolarHBondContact CA-O 3.1Å; S77-E99 PolarHBondContact N-O 3.23Å; W97-E99 VanDerWaalsContact CB-OE2 3.3Å; W97-E99 WeakPolarHBondContact CB-OE2 3.35Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.27Å; E99-N101 PolarHBondContact O-ND2 3.24Å; E99-Q120 PolarHBondContact N-O 2.91Å; E99-G122 CarbonylContact C-O 3.27Å; E99-G122 WeakPolarHBondContact CA-O 3.32Å; E99-G122 WeakPolarHBondContact CB-O 3.48Å
100S98.7Very high98.2Very high40 Ų4050.6 Ų50.628%0.2822%0.217SC..SBendtrans55.245.2177.9-470000113.2S77 G122 D123S77-S100 WeakPolarHBondContact CA-O 3.19Å; S100-G122 PolarHBondContact N-O 3.21Å; S100-D123 WeakPolarHBondContact CA-O 3.39Å
101N98.9Very high98Very high3 Ų351.5 Ų51.52%0.01622%0.22CC..SBendtrans-116.4-160.8172.1-83.2-76.5000109.7L75 N78 R79 L80 L98 E99 F103 N124L75-N101 PolarHBondContact O-ND2 3.31Å; N78-N101 WeakPolarHBondContact CA-OD1 2.82Å; N78-N101 VanDerWaalsContact CB-OD1 3.28Å; N78-N101 WeakPolarHBondContact CB-OD1 3.38Å; N78-N101 PolarHBondContact N-OD1 3.46Å; N78-N101 PolarHBondContact O-OD1 2.96Å; R79-N101 PolarHBondContact N-OD1 3.16Å; L80-N101 HydrophobicContact CB-CB 4.28Å; L80-N101 WeakPolarHBondContact CB-OD1 3.02Å; L80-N101 WeakPolarHBondContact CG-OD1 3.19Å; L80-N101 PolarHBondContact N-OD1 3.35Å; L98-N101 PolarHBondContact O-ND2 2.95Å; E99-N101 VanDerWaalsContact C-N 3.32Å; E99-N101 PolarHBondContact O-N 3.27Å; E99-N101 PolarHBondContact O-ND2 3.24Å; N101-F103 HydrophobicContact CB-CD2 3.86Å; N101-F103 HydrophobicContact CB-CE2 4.06Å; N101-N124 WeakPolarHBondContact CA-OD1 3.47Å; N101-N124 WeakPolarHBondContact CB-OD1 3.44Å; N101-N124 PolarHBondContact O-OD1 2.86Å
102Y98.6Very high97.8Very high86 Ų8650.4 Ų50.434%0.33722%0.218SC..  trans-120.925.4-175.3-57.7-52.8000113.7R79 L80 M81 Q104 N124R79-Y102 HydrophobicContact CB-CD2 4.1Å; R79-Y102 HydrophobicContact CB-CE2 3.8Å; R79-Y102 HydrophobicContact CG-CE2 3.98Å; L80-Y102 CarbonylContact O-C 3.47Å; L80-Y102 WeakPolarHBondContact O-CA 3.26Å; L80-Y102 PolarHBondContact O-N 2.78Å; M81-Y102 HydrophobicContact CE-CD2 4.28Å; Y102-Q104 PolarHBondContact O-N 3.4Å; Y102-Q104 VanDerWaalsContact O-N 3.17Å; Y102-N124 PolarHBondContact N-OD1 3.01Å
103F98.7Very high97.7Very high1 Ų147.4 Ų47.40%0.00420%0.202CC..  trans-61.9117.8178.8-74.9-95000111.1L80 M81 L83 L98 N101 P107 M121 N124 R125 L126L80-F103 HydrophobicContact CB-CE2 3.67Å; L80-F103 HydrophobicContact CB-CZ 4.07Å; M81-F103 WeakPolarHBondContact O-CD1 3.06Å; L83-F103 HydrophobicContact CD2-CE1 4.4Å; L83-F103 HydrophobicContact CD2-CZ 3.88Å; L83-F103 HydrophobicContact CG-CE1 4.09Å; L83-F103 HydrophobicContact CG-CZ 4.08Å; L98-F103 HydrophobicContact CD1-CD2 4.05Å; L98-F103 HydrophobicContact CD1-CE1 4.46Å; L98-F103 HydrophobicContact CD1-CE2 3.64Å; L98-F103 HydrophobicContact CD1-CZ 3.88Å; N101-F103 HydrophobicContact CB-CD2 3.86Å; N101-F103 HydrophobicContact CB-CE2 4.06Å; F103-P107 HydrophobicContact CD1-CG 4.36Å; F103-P107 HydrophobicContact CE1-CB 4.23Å; F103-P107 HydrophobicContact CE1-CG 4.09Å; F103-M121 HydrophobicContact CB-CE 4.42Å; F103-M121 HydrophobicContact CG-CE 4.36Å; F103-N124 HydrophobicContact CB-CB 4.31Å; F103-N124 WeakPolarHBondContact CB-OD1 3.49Å; F103-N124 WeakPolarHBondContact CD2-OD1 3.44Å; F103-N124 PolarHBondContact N-OD1 3Å; F103-R125 CarbonylContact O-C 3.54Å; F103-R125 VanDerWaalsContact O-C 3.27Å; F103-R125 VanDerWaalsContact O-CA 3.29Å; F103-R125 WeakPolarHBondContact O-CA 3.29Å; F103-R125 WeakPolarHBondContact O-CB 3.36Å; F103-R125 PolarHBondContact O-N 2.98Å; F103-L126 HydrophobicContact CB-CD2 4.25Å; F103-L126 PolarHBondContact O-N 3.01Å
104Q98.3Very high97.6Very high115 Ų11550.7 Ų50.754%0.53722%0.224SC..SBendtrans-93.5-20.6175.1-62.5-177.548.900112.5Y102 R125Y102-Q104 PolarHBondContact O-N 3.4Å; Y102-Q104 VanDerWaalsContact O-N 3.17Å; Q104-R125 HydrophobicContact CG-CB 4.12Å
105R98.1Very high97.6Very high205 Ų20548.5 Ų48.577%0.77422%0.22SC*.SBendtrans-133.5152177.7-65.5-173.517595.8-0.6109L126R105-L126 WeakPolarHBondContact O-CD2 3.48Å
106F98Very high97.6Very high12 Ų1248 Ų485%0.05322%0.216CC..  trans-68.4131.1173.8-169.8-88.4000110L110 Y111 L119 M121 L129 P130 F133 M136F106-L110 HydrophobicContact CE1-CB 4.04Å; F106-L110 HydrophobicContact CE1-CD1 4.22Å; F106-L110 HydrophobicContact CE2-CD1 4.32Å; F106-L110 HydrophobicContact CZ-CB 4.08Å; F106-L110 HydrophobicContact CZ-CD1 3.67Å; F106-L110 HydrophobicContact CZ-CG 4.43Å; F106-Y111 AromaticContact CD1-CE1 3.69Å; F106-Y111 HydrophobicContact CD1-CE1 3.69Å; F106-Y111 HydrophobicContact CE1-CD1 4.11Å; F106-Y111 AromaticContact CE1-CE1 3.53Å; F106-Y111 HydrophobicContact CE1-CE1 3.53Å; F106-L119 HydrophobicContact CE2-CD2 3.88Å; F106-L119 HydrophobicContact CZ-CD2 3.9Å; F106-M121 HydrophobicContact CD2-CE 4.12Å; F106-M121 HydrophobicContact CD2-SD 3.74Å; F106-M121 HydrophobicContact CE2-CE 4.28Å; F106-M121 HydrophobicContact CE2-SD 3.34Å; F106-M121 WeakPolarHBondContact CE2-SD 3.39Å; F106-M121 HydrophobicContact CZ-SD 4.24Å; F106-L129 HydrophobicContact CB-CD2 4.44Å; F106-L129 HydrophobicContact CD2-CD2 3.82Å; F106-L129 HydrophobicContact CG-CD2 4.34Å; F106-P130 HydrophobicContact CB-CG 3.97Å; F106-P130 HydrophobicContact CD1-CG 4.1Å; F106-P130 HydrophobicContact CG-CG 4.29Å; F106-F133 HydrophobicContact CD1-CD2 4.08Å; F106-F133 HydrophobicContact CD1-CE2 4.43Å; F106-F133 HydrophobicContact CD2-CD2 4.22Å; F106-F133 AromaticContact CD2-CE2 3.97Å; F106-F133 HydrophobicContact CD2-CE2 3.97Å; F106-F133 AromaticContact CE1-CD2 3.78Å; F106-F133 HydrophobicContact CE1-CD2 3.78Å; F106-F133 AromaticContact CE1-CE2 3.87Å; F106-F133 HydrophobicContact CE1-CE2 3.87Å; F106-F133 AromaticContact CE2-CD2 3.93Å; F106-F133 HydrophobicContact CE2-CD2 3.93Å; F106-F133 AromaticContact CE2-CE2 3.34Å; F106-F133 HydrophobicContact CE2-CE2 3.34Å; F106-F133 HydrophobicContact CE2-CZ 4.33Å; F106-F133 HydrophobicContact CG-CD2 4.31Å; F106-F133 HydrophobicContact CG-CE2 4.49Å; F106-F133 AromaticContact CZ-CD2 3.73Å; F106-F133 HydrophobicContact CZ-CD2 3.73Å; F106-F133 AromaticContact CZ-CE2 3.3Å; F106-F133 HydrophobicContact CZ-CE2 3.3Å; F106-F133 HydrophobicContact CZ-CZ 4.49Å; F106-M136 HydrophobicContact CE1-SD 3.92Å; F106-M136 HydrophobicContact CZ-CE 4.3Å; F106-M136 HydrophobicContact CZ-SD 3.69Å
107P96.9Very high97.6Very high8 Ų852.3 Ų52.35%0.05224%0.235CC..  trans-74.2125.6-179.928.3-32.2000111.3L83 F103 E109 L110 M121L83-P107 HydrophobicContact CB-CB 4.24Å; L83-P107 HydrophobicContact CD1-CB 3.69Å; L83-P107 HydrophobicContact CD1-CG 3.72Å; L83-P107 HydrophobicContact CG-CB 3.85Å; L83-P107 HydrophobicContact CG-CG 4.17Å; F103-P107 HydrophobicContact CD1-CG 4.36Å; F103-P107 HydrophobicContact CE1-CB 4.23Å; F103-P107 HydrophobicContact CE1-CG 4.09Å; P107-E109 VanDerWaalsContact C-N 3.26Å; P107-E109 WeakPolarHBondContact CB-OE2 3.16Å; P107-E109 PolarHBondContact O-N 3.29Å; P107-L110 HydrophobicContact CG-CD1 3.62Å; P107-L110 HydrophobicContact CG-CG 3.88Å; P107-L110 PolarHBondContact O-N 2.97Å; P107-M121 HydrophobicContact CG-CE 4.25Å
108R95.5Very high97.6Very high168 Ų16849.1 Ų49.163%0.63423%0.226SC*.G310 helixtrans-73-22.3-174.3-65.9-173.9170.6-175.8-5112.6L110 Y111R108-L110 PolarHBondContact O-N 3.31Å; R108-L110 VanDerWaalsContact O-N 3.15Å; R108-Y111 HydrophobicContact CB-CD2 4.09Å; R108-Y111 HydrophobicContact CB-CE2 3.66Å; R108-Y111 HydrophobicContact CG-CE2 3.69Å; R108-Y111 WeakPolarHBondContact O-CB 3.46Å; R108-Y111 WeakPolarHBondContact O-CD2 3.46Å; R108-Y111 PolarHBondContact O-N 3.14Å
109E97.2Very high97.6Very high42 Ų4249.1 Ų49.120%0.19623%0.226CC..G310 helixtrans-58.5-27.3178.7-60.672.1-156.200111.8L83 F87 T88 P107 Y111 D112L83-E109 HydrophobicContact CB-CG 4.43Å; F87-E109 HydrophobicContact CB-CB 4.27Å; T88-E109 HydrophobicContact CG2-CB 3.93Å; T88-E109 HydrophobicContact CG2-CG 4.31Å; P107-E109 VanDerWaalsContact C-N 3.26Å; P107-E109 WeakPolarHBondContact CB-OE2 3.16Å; P107-E109 PolarHBondContact O-N 3.29Å; E109-Y111 VanDerWaalsContact C-N 3.25Å; E109-Y111 PolarHBondContact O-N 2.86Å; E109-D112 PolarHBondContact O-N 3.36Å
110L97.6Very high97.6Very high0 Ų049.3 Ų49.30%023%0.227CC..G310 helixtrans-70.4-18.8178.7-61.4-175.2000113.6L83 F87 F96 F106 P107 R108 D112 L113 L116 L119 M121 M136L83-L110 HydrophobicContact CD1-CD1 4.46Å; L83-L110 HydrophobicContact CD1-CD2 3.72Å; L83-L110 HydrophobicContact CD1-CG 3.96Å; F87-L110 HydrophobicContact CD1-CD2 4Å; F87-L110 HydrophobicContact CE1-CD2 3.61Å; F96-L110 HydrophobicContact CD1-CD2 3.8Å; F96-L110 HydrophobicContact CE1-CD2 3.92Å; F106-L110 HydrophobicContact CE1-CB 4.04Å; F106-L110 HydrophobicContact CE1-CD1 4.22Å; F106-L110 HydrophobicContact CE2-CD1 4.32Å; F106-L110 HydrophobicContact CZ-CB 4.08Å; F106-L110 HydrophobicContact CZ-CD1 3.67Å; F106-L110 HydrophobicContact CZ-CG 4.43Å; P107-L110 HydrophobicContact CG-CD1 3.62Å; P107-L110 HydrophobicContact CG-CG 3.88Å; P107-L110 PolarHBondContact O-N 2.97Å; R108-L110 PolarHBondContact O-N 3.31Å; R108-L110 VanDerWaalsContact O-N 3.15Å; L110-D112 PolarHBondContact O-N 2.95Å; L110-L113 HydrophobicContact CD2-CD1 3.71Å; L110-L113 PolarHBondContact O-N 3.21Å; L110-L116 HydrophobicContact CD2-CD2 4.41Å; L110-L119 HydrophobicContact CD1-CD1 3.93Å; L110-L119 HydrophobicContact CD1-CD2 3.89Å; L110-M121 HydrophobicContact CD1-SD 4.33Å; L110-M136 HydrophobicContact CB-CE 3.94Å; L110-M136 HydrophobicContact CB-SD 4.37Å
111Y94.6Very high97.6Very high18 Ų1847.4 Ų47.47%0.07121%0.214CC..G310 helixtrans-66.3-27.2176.9-51.9-25.3000112.5F106 R108 E109 L113 P130 D132 M136F106-Y111 AromaticContact CD1-CE1 3.69Å; F106-Y111 HydrophobicContact CD1-CE1 3.69Å; F106-Y111 HydrophobicContact CE1-CD1 4.11Å; F106-Y111 AromaticContact CE1-CE1 3.53Å; F106-Y111 HydrophobicContact CE1-CE1 3.53Å; R108-Y111 HydrophobicContact CB-CD2 4.09Å; R108-Y111 HydrophobicContact CB-CE2 3.66Å; R108-Y111 HydrophobicContact CG-CE2 3.69Å; R108-Y111 WeakPolarHBondContact O-CB 3.46Å; R108-Y111 WeakPolarHBondContact O-CD2 3.46Å; R108-Y111 PolarHBondContact O-N 3.14Å; E109-Y111 VanDerWaalsContact C-N 3.25Å; E109-Y111 PolarHBondContact O-N 2.86Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-P130 HydrophobicContact CE1-CG 4.31Å; Y111-P130 WeakPolarHBondContact OH-CB 3.29Å; Y111-P130 WeakPolarHBondContact OH-CG 3.49Å; Y111-D132 HydrophobicContact CE2-CB 4.23Å; Y111-M136 HydrophobicContact CD1-CG 4.06Å; Y111-M136 HydrophobicContact CD1-SD 4.09Å
112D92.4Very high97.6Very high65 Ų6547.2 Ų47.235%0.34821%0.213SC..G310 helixtrans-96.416-173-56.6-41.1000111.8T88 K91 E109 L110 P114 R135T88-D112 HydrophobicContact CG2-CB 4.11Å; K91-D112 PolarHBondContact NZ-O 3.17Å; E109-D112 PolarHBondContact O-N 3.36Å; L110-D112 PolarHBondContact O-N 2.95Å; D112-P114 VanDerWaalsContact O-CD 3.25Å; D112-P114 WeakPolarHBondContact O-CD 3.31Å; D112-R135 IonicContact OD1-CZ 3.69Å; D112-R135 IonicContact OD1-NH2 2.67Å; D112-R135 PolarHBondContact OD1-NH2 2.9Å
113L97.5Very high97.6Very high8 Ų846.5 Ų46.54%0.04222%0.215CC..  trans-10291.7176.4-59.1-171.5000110.5F87 L90 L93 L110 Y111 N115 L116F87-L113 HydrophobicContact CD1-CD1 4.11Å; F87-L113 HydrophobicContact CE1-CD1 3.83Å; L90-L113 HydrophobicContact CB-CD2 4.5Å; L93-L113 HydrophobicContact CD2-CD1 4.16Å; L110-L113 HydrophobicContact CD2-CD1 3.71Å; L110-L113 PolarHBondContact O-N 3.21Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.37Å; L113-N115 VanDerWaalsContact O-N 3.14Å; L113-L116 HydrophobicContact CB-CB 4.03Å; L113-L116 HydrophobicContact CD1-CD2 4.37Å; L113-L116 PolarHBondContact O-N 2.91Å
114P96.9Very high97.6Very high70 Ų7046.9 Ų46.946%0.45522%0.217SC..THydrogen-bonded Turntrans-69.3-18.4-167.728.9-37.2000113.7D112 S138D112-P114 VanDerWaalsContact O-CD 3.25Å; D112-P114 WeakPolarHBondContact O-CD 3.31Å; P114-S138 VanDerWaalsContact O-CB 3.24Å; P114-S138 WeakPolarHBondContact O-CB 3.08Å; P114-S138 PolarHBondContact O-OG 2.85Å
115N98.2Very high97.6Very high53 Ų5345.4 Ų45.428%0.28321%0.206SC..THydrogen-bonded Turntrans-104.91.6-175.8-70.9-65.4000113.8K91 L93 R94 L113 K117K91-N115 PolarHBondContact O-ND2 3.13Å; L93-N115 CarbonylContact O-C 3.3Å; R94-N115 WeakPolarHBondContact CA-O 3.42Å; R94-N115 HydrophobicContact CG-CB 4.44Å; L113-N115 PolarHBondContact O-N 3.37Å; L113-N115 VanDerWaalsContact O-N 3.14Å; N115-K117 PolarHBondContact O-N 2.89Å
116L98.7Very high97.6Very high2 Ų235.6 Ų35.61%0.0117%0.17CC..  trans-71.9116.2-175.4-172.466.6000110.2L93 F96 L110 L113 L119 M136 S138 L139L93-L116 HydrophobicContact CD2-CD1 4.47Å; L93-L116 HydrophobicContact CG-CD1 4.38Å; L93-L116 VanDerWaalsContact O-CA 3.31Å; L93-L116 WeakPolarHBondContact O-CA 3.41Å; L93-L116 PolarHBondContact O-N 2.9Å; L93-L116 VanDerWaalsContact O-N 3.15Å; F96-L116 HydrophobicContact CB-CD1 3.8Å; L110-L116 HydrophobicContact CD2-CD2 4.41Å; L113-L116 HydrophobicContact CB-CB 4.03Å; L113-L116 HydrophobicContact CD1-CD2 4.37Å; L113-L116 PolarHBondContact O-N 2.91Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L116-M136 HydrophobicContact CD2-CE 3.74Å; L116-S138 CarbonylContact O-C 3.12Å; L116-L139 HydrophobicContact CG-CD1 4.39Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L116-L139 PolarHBondContact O-N 2.95Å
117K98.7Very high97.6Very high90 Ų9041.3 Ų41.339%0.39119%0.194SC..  trans-108.9-31.3-176-67-178-179.8-172.90113.1R94 N115 K140 G141R94-K117 PolarHBondContact O-N 3.35Å; N115-K117 PolarHBondContact O-N 2.89Å; K117-K140 PolarHBondContact O-N 3.01Å; K117-G141 PolarHBondContact O-N 3.41Å
118S98.8Very high97.7Very high25 Ų2543.9 Ų43.918%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-131.1121-174.6171.90000110R94 C95 F96 G141 W143R94-S118 PolarHBondContact O-N 2.82Å; C95-S118 WeakPolarHBondContact CA-O 3.49Å; F96-S118 PolarHBondContact N-O 3.48Å; S118-G141 WeakPolarHBondContact CA-O 3.25Å; S118-W143 VanDerWaalsContact OG-CZ3 3.24Å; S118-W143 WeakPolarHBondContact OG-CZ3 3.16Å
119L98.9Very high97.8Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-128.8113.9-178.4-178.261.4000111.4F96 L98 F106 L110 L116 M121 M136 L139 G141 L142 W143F96-L119 HydrophobicContact CB-CD1 4.22Å; F96-L119 HydrophobicContact CD1-CD1 3.96Å; F96-L119 HydrophobicContact CG-CD1 4.44Å; F96-L119 WeakPolarHBondContact O-CA 3.46Å; L98-L119 HydrophobicContact CD2-CD1 3.48Å; L98-L119 VanDerWaalsContact CD2-CD1 3.48Å; F106-L119 HydrophobicContact CE2-CD2 3.88Å; F106-L119 HydrophobicContact CZ-CD2 3.9Å; L110-L119 HydrophobicContact CD1-CD1 3.93Å; L110-L119 HydrophobicContact CD1-CD2 3.89Å; L116-L119 HydrophobicContact CD2-CD1 4.36Å; L119-M121 HydrophobicContact CD1-CG 3.99Å; L119-M121 HydrophobicContact CD1-SD 4.31Å; L119-M121 HydrophobicContact CD2-CG 4.3Å; L119-M121 HydrophobicContact CD2-SD 3.89Å; L119-M121 HydrophobicContact CG-CG 3.93Å; L119-M121 HydrophobicContact CG-SD 4.18Å; L119-M136 HydrophobicContact CD2-CE 4.05Å; L119-L139 HydrophobicContact CB-CD1 3.75Å; L119-G141 PolarHBondContact N-O 2.9Å; L119-L142 HydrophobicContact CB-CD1 4.31Å; L119-L142 HydrophobicContact CD2-CD1 4.13Å; L119-L142 HydrophobicContact CG-CD1 4.34Å; L119-W143 PolarHBondContact O-N 3.09Å
120Q98.8Very high97.7Very high24 Ų2436.3 Ų36.311%0.11219%0.192CC..EExtended strand (participates in β ladder)trans-101.5107.8175.4-71.5-81.1-4.800110F96 W97 L98 E99 W143F96-Q120 PolarHBondContact O-N 3.25Å; W97-Q120 HydrophobicContact CB-CB 4.15Å; W97-Q120 VanDerWaalsContact CD1-CG 3.43Å; W97-Q120 HydrophobicContact CD2-CB 4.46Å; W97-Q120 HydrophobicContact CD2-CG 4.1Å; W97-Q120 HydrophobicContact CG-CB 3.82Å; W97-Q120 HydrophobicContact CG-CG 3.85Å; L98-Q120 CarbonylContact C-O 3.34Å; L98-Q120 WeakPolarHBondContact CD2-O 3.23Å; L98-Q120 WeakPolarHBondContact CG-O 3.24Å; L98-Q120 PolarHBondContact N-O 2.84Å; E99-Q120 PolarHBondContact N-O 2.91Å; Q120-W143 VanDerWaalsContact CD-CB 3.46Å; Q120-W143 VanDerWaalsContact CD-CD2 3.43Å; Q120-W143 HydrophobicContact CG-CB 4.44Å; Q120-W143 HydrophobicContact CG-CD2 4.27Å; Q120-W143 HydrophobicContact CG-CE3 3.94Å; Q120-W143 VanDerWaalsContact NE2-CE3 3.29Å; Q120-W143 VanDerWaalsContact OE1-CG 3.26Å
121M98.3Very high97.4Very high0 Ų043.9 Ų43.90%023%0.227CC..  trans-12426.2179.2-76-169.278.500111.9L98 F103 F106 P107 L110 L119 N124 L126 W143 L144 N147L98-M121 HydrophobicContact CD1-CE 3.76Å; L98-M121 HydrophobicContact CD1-CG 3.79Å; L98-M121 HydrophobicContact CD1-SD 4.15Å; L98-M121 HydrophobicContact CD2-CG 3.52Å; L98-M121 HydrophobicContact CD2-SD 4.47Å; L98-M121 HydrophobicContact CG-CG 3.62Å; F103-M121 HydrophobicContact CB-CE 4.42Å; F103-M121 HydrophobicContact CG-CE 4.36Å; F106-M121 HydrophobicContact CD2-CE 4.12Å; F106-M121 HydrophobicContact CD2-SD 3.74Å; F106-M121 HydrophobicContact CE2-CE 4.28Å; F106-M121 HydrophobicContact CE2-SD 3.34Å; F106-M121 WeakPolarHBondContact CE2-SD 3.39Å; F106-M121 HydrophobicContact CZ-SD 4.24Å; P107-M121 HydrophobicContact CG-CE 4.25Å; L110-M121 HydrophobicContact CD1-SD 4.33Å; L119-M121 HydrophobicContact CD1-CG 3.99Å; L119-M121 HydrophobicContact CD1-SD 4.31Å; L119-M121 HydrophobicContact CD2-CG 4.3Å; L119-M121 HydrophobicContact CD2-SD 3.89Å; L119-M121 HydrophobicContact CG-CG 3.93Å; L119-M121 HydrophobicContact CG-SD 4.18Å; M121-N124 PolarHBondContact O-ND2 3.35Å; M121-L126 HydrophobicContact CE-CD1 3.92Å; M121-W143 CarbonylContact C-O 3.52Å; M121-W143 WeakPolarHBondContact CA-O 3.42Å; M121-W143 PolarHBondContact N-O 3.37Å; M121-L144 HydrophobicContact CB-CD2 3.89Å; M121-N147 PolarHBondContact O-ND2 3.42Å
122G98.6Very high97.3Very high0 Ų046.9 Ų46.90%024%0.244CC..  trans-62.1163.5178.500000113.4E99 S100 N124 W143 Y145E99-G122 CarbonylContact C-O 3.27Å; E99-G122 WeakPolarHBondContact CA-O 3.32Å; E99-G122 WeakPolarHBondContact CB-O 3.48Å; S100-G122 PolarHBondContact N-O 3.21Å; G122-N124 VanDerWaalsContact C-N 3.27Å; G122-N124 PolarHBondContact O-N 3.24Å; G122-N124 VanDerWaalsContact O-N 3.14Å; G122-N124 PolarHBondContact O-ND2 3.42Å; G122-W143 PolarHBondContact N-O 2.95Å; G122-Y145 CarbonylContact C-O 3.46Å; G122-Y145 WeakPolarHBondContact CA-O 3.28Å
123D98.8Very high97.4Very high71 Ų7143.8 Ų43.838%0.3823%0.228SC..SBendtrans48.244.4176.5-66.7-35.3000114.2S100 Y145 G146S100-D123 WeakPolarHBondContact CA-O 3.39Å; D123-Y145 PolarHBondContact N-O 3.32Å; D123-Y145 WeakPolarHBondContact OD2-CE2 3.35Å; D123-G146 WeakPolarHBondContact CA-O 3.43Å
124N98.8Very high97.1Very high8 Ų845.3 Ų45.34%0.04324%0.239CC..SBendtrans-110.7-158.5174.2-86.8-79.8000110.1L98 N101 Y102 F103 M121 G122 L126 N147L98-N124 PolarHBondContact O-ND2 2.82Å; L98-N124 VanDerWaalsContact O-ND2 3.13Å; N101-N124 WeakPolarHBondContact CA-OD1 3.47Å; N101-N124 WeakPolarHBondContact CB-OD1 3.44Å; N101-N124 PolarHBondContact O-OD1 2.86Å; Y102-N124 PolarHBondContact N-OD1 3.01Å; F103-N124 HydrophobicContact CB-CB 4.31Å; F103-N124 WeakPolarHBondContact CB-OD1 3.49Å; F103-N124 WeakPolarHBondContact CD2-OD1 3.44Å; F103-N124 PolarHBondContact N-OD1 3Å; M121-N124 PolarHBondContact O-ND2 3.35Å; G122-N124 VanDerWaalsContact C-N 3.27Å; G122-N124 PolarHBondContact O-N 3.24Å; G122-N124 VanDerWaalsContact O-N 3.14Å; G122-N124 PolarHBondContact O-ND2 3.42Å; N124-L126 HydrophobicContact CB-CG 4.43Å; N124-N147 WeakPolarHBondContact CA-OD1 3.31Å; N124-N147 VanDerWaalsContact CB-OD1 3.23Å; N124-N147 WeakPolarHBondContact CB-OD1 3.2Å
125R98.6Very high97Very high84 Ų8448.1 Ų48.132%0.31724%0.24SC..  trans-123.224.6-177.7-54.5-179-179176.92.1111.9F103 Q104 N147F103-R125 CarbonylContact O-C 3.54Å; F103-R125 VanDerWaalsContact O-C 3.27Å; F103-R125 VanDerWaalsContact O-CA 3.29Å; F103-R125 WeakPolarHBondContact O-CA 3.29Å; F103-R125 WeakPolarHBondContact O-CB 3.36Å; F103-R125 PolarHBondContact O-N 2.98Å; Q104-R125 HydrophobicContact CG-CB 4.12Å; R125-N147 PolarHBondContact N-OD1 3.43Å
126L98.6Very high97Very high0 Ų046.1 Ų46.10%023%0.229CC..  trans-67.4134.2-178.5-58.4177.7000110.3F103 R105 M121 N124 L144 N147 R148 F149F103-L126 HydrophobicContact CB-CD2 4.25Å; F103-L126 PolarHBondContact O-N 3.01Å; R105-L126 WeakPolarHBondContact O-CD2 3.48Å; M121-L126 HydrophobicContact CE-CD1 3.92Å; N124-L126 HydrophobicContact CB-CG 4.43Å; L126-L144 HydrophobicContact CD1-CD2 3.81Å; L126-N147 HydrophobicContact CB-CB 4.31Å; L126-N147 VanDerWaalsContact CB-OD1 3.28Å; L126-N147 WeakPolarHBondContact CB-OD1 3.41Å; L126-N147 WeakPolarHBondContact CG-OD1 3.5Å; L126-N147 PolarHBondContact N-OD1 3.17Å; L126-R148 CarbonylContact O-C 3.33Å; L126-R148 VanDerWaalsContact O-CA 3.3Å; L126-R148 WeakPolarHBondContact O-CA 3.41Å; L126-R148 WeakPolarHBondContact O-CB 3.17Å; L126-R148 PolarHBondContact O-N 3.1Å; L126-F149 HydrophobicContact CB-CE1 4.37Å; L126-F149 HydrophobicContact CB-CE2 4.1Å; L126-F149 HydrophobicContact CB-CZ 3.71Å; L126-F149 HydrophobicContact CD1-CZ 4.29Å
127K98.3Very high96.7Very high131 Ų13153.4 Ų53.457%0.5726%0.263SS*.  trans-108.4-23.6174.9-61.8-172.2178.2-171.20113.4R148 F149K127-R148 HydrophobicContact CG-CB 4.13Å; K127-F149 WeakPolarHBondContact O-CD1 3.24Å
128A97.8Very high96.6Very high63 Ų6351.6 Ų51.652%0.52126%0.262SS..  trans-154.9153-176.100000109.9
129L97.7Very high96.6Very high19 Ų1950.5 Ų50.510%0.09925%0.254CS..  trans-96.7141.9165.6-63.6178.6000109.2F106 F133 L144 F149 P153 V155 L156F106-L129 HydrophobicContact CB-CD2 4.44Å; F106-L129 HydrophobicContact CD2-CD2 3.82Å; F106-L129 HydrophobicContact CG-CD2 4.34Å; L129-F133 HydrophobicContact CB-CB 4.47Å; L129-F133 HydrophobicContact CB-CG 4.39Å; L129-F133 HydrophobicContact CD1-CD1 3.87Å; L129-F133 HydrophobicContact CD1-CE1 3.82Å; L129-F133 HydrophobicContact CD1-CG 4.3Å; L129-F133 HydrophobicContact CD1-CZ 4.23Å; L129-F133 HydrophobicContact CD2-CD2 4.46Å; L129-F133 HydrophobicContact CD2-CE2 4.45Å; L129-L144 HydrophobicContact CD1-CD1 3.89Å; L129-L144 HydrophobicContact CD2-CD1 4.27Å; L129-L144 HydrophobicContact CG-CD1 4.46Å; L129-F149 HydrophobicContact CD2-CE1 4.37Å; L129-F149 HydrophobicContact CD2-CZ 4.05Å; L129-F149 HydrophobicContact CG-CE1 4.03Å; L129-F149 HydrophobicContact CG-CZ 4.1Å; L129-P153 HydrophobicContact CB-CB 4.11Å; L129-P153 HydrophobicContact CD1-CB 3.84Å; L129-P153 HydrophobicContact CD1-CG 4.18Å; L129-P153 HydrophobicContact CG-CB 4.01Å; L129-P153 HydrophobicContact CG-CG 4.23Å; L129-V155 HydrophobicContact CB-CG1 3.74Å; L129-V155 HydrophobicContact CD1-CG1 4.24Å; L129-L156 HydrophobicContact CD1-CD1 4.15Å; L129-L156 HydrophobicContact CD1-CD2 3.74Å; L129-L156 HydrophobicContact CD1-CG 3.94Å
130P95Very high96.6Very high32 Ų3254.4 Ų54.421%0.20827%0.271CS..  trans-67.3155177.823.9-29.2000111.8F106 Y111 D132 F133F106-P130 HydrophobicContact CB-CG 3.97Å; F106-P130 HydrophobicContact CD1-CG 4.1Å; F106-P130 HydrophobicContact CG-CG 4.29Å; Y111-P130 HydrophobicContact CE1-CG 4.31Å; Y111-P130 WeakPolarHBondContact OH-CB 3.29Å; Y111-P130 WeakPolarHBondContact OH-CG 3.49Å; P130-D132 PolarHBondContact O-N 2.94Å; P130-F133 HydrophobicContact CG-CB 4.34Å; P130-F133 WeakPolarHBondContact O-CB 3.03Å; P130-F133 PolarHBondContact O-N 3Å; P130-F133 VanDerWaalsContact O-N 3.12Å
131Q91.6Very high96.5Very high158 Ų15853.4 Ų53.474%0.73827%0.267SS*.G310 helixtrans-62.3-32.3-177.8-67.6-176.7-4.200112.8F133 V155 R158Q131-F133 PolarHBondContact O-N 2.93Å; Q131-V155 WeakPolarHBondContact O-CG2 3.22Å; Q131-R158 PolarHBondContact O-NH2 2.66Å
132D91.9Very high96.6Very high82 Ų8253.4 Ų53.444%0.43927%0.267SS..G310 helixtrans-801.2-179.8-54.6-40.2000113.4Y111 P130 C134 R135Y111-D132 HydrophobicContact CE2-CB 4.23Å; P130-D132 PolarHBondContact O-N 2.94Å; D132-C134 PolarHBondContact O-N 3.15Å; D132-C134 VanDerWaalsContact O-N 3.07Å; D132-R135 VanDerWaalsContact O-CB 3.29Å; D132-R135 WeakPolarHBondContact O-CB 3.41Å; D132-R135 VanDerWaalsContact O-CG 3.32Å; D132-R135 WeakPolarHBondContact O-CG 3.45Å; D132-R135 PolarHBondContact O-N 2.82Å
133F94.6Very high96.6Very high0 Ų055.7 Ų55.70%028%0.276CS..G310 helixtrans-56.8-26.7179.6-174.8-103.5000112.7F106 L129 P130 Q131 R135 M136 L139 L142 V155 L156 M159F106-F133 HydrophobicContact CD1-CD2 4.08Å; F106-F133 HydrophobicContact CD1-CE2 4.43Å; F106-F133 HydrophobicContact CD2-CD2 4.22Å; F106-F133 AromaticContact CD2-CE2 3.97Å; F106-F133 HydrophobicContact CD2-CE2 3.97Å; F106-F133 AromaticContact CE1-CD2 3.78Å; F106-F133 HydrophobicContact CE1-CD2 3.78Å; F106-F133 AromaticContact CE1-CE2 3.87Å; F106-F133 HydrophobicContact CE1-CE2 3.87Å; F106-F133 AromaticContact CE2-CD2 3.93Å; F106-F133 HydrophobicContact CE2-CD2 3.93Å; F106-F133 AromaticContact CE2-CE2 3.34Å; F106-F133 HydrophobicContact CE2-CE2 3.34Å; F106-F133 HydrophobicContact CE2-CZ 4.33Å; F106-F133 HydrophobicContact CG-CD2 4.31Å; F106-F133 HydrophobicContact CG-CE2 4.49Å; F106-F133 AromaticContact CZ-CD2 3.73Å; F106-F133 HydrophobicContact CZ-CD2 3.73Å; F106-F133 AromaticContact CZ-CE2 3.3Å; F106-F133 HydrophobicContact CZ-CE2 3.3Å; F106-F133 HydrophobicContact CZ-CZ 4.49Å; L129-F133 HydrophobicContact CB-CB 4.47Å; L129-F133 HydrophobicContact CB-CG 4.39Å; L129-F133 HydrophobicContact CD1-CD1 3.87Å; L129-F133 HydrophobicContact CD1-CE1 3.82Å; L129-F133 HydrophobicContact CD1-CG 4.3Å; L129-F133 HydrophobicContact CD1-CZ 4.23Å; L129-F133 HydrophobicContact CD2-CD2 4.46Å; L129-F133 HydrophobicContact CD2-CE2 4.45Å; P130-F133 HydrophobicContact CG-CB 4.34Å; P130-F133 WeakPolarHBondContact O-CB 3.03Å; P130-F133 PolarHBondContact O-N 3Å; P130-F133 VanDerWaalsContact O-N 3.12Å; Q131-F133 PolarHBondContact O-N 2.93Å; F133-R135 PolarHBondContact O-N 2.99Å; F133-R135 VanDerWaalsContact O-N 3.11Å; F133-M136 HydrophobicContact CD2-SD 3.8Å; F133-M136 HydrophobicContact CE2-SD 3.5Å; F133-M136 VanDerWaalsContact CE2-SD 3.5Å; F133-M136 HydrophobicContact CZ-SD 4.23Å; F133-M136 PolarHBondContact O-N 2.94Å; F133-L139 HydrophobicContact CZ-CD2 4.09Å; F133-L142 HydrophobicContact CE1-CD2 3.63Å; F133-L142 HydrophobicContact CZ-CD1 4.11Å; F133-L142 HydrophobicContact CZ-CD2 3.54Å; F133-L142 HydrophobicContact CZ-CG 4.48Å; F133-V155 HydrophobicContact CB-CG1 4.1Å; F133-V155 HydrophobicContact CB-CG2 3.87Å; F133-V155 HydrophobicContact CD1-CG1 4.19Å; F133-L156 HydrophobicContact CD1-CD2 4.02Å; F133-L156 HydrophobicContact CE1-CD2 3.54Å; F133-M159 HydrophobicContact CD1-CE 4.21Å; F133-M159 HydrophobicContact CD1-SD 3.29Å; F133-M159 WeakPolarHBondContact CD1-SD 3.37Å; F133-M159 HydrophobicContact CE1-CE 3.78Å; F133-M159 HydrophobicContact CE1-SD 3.16Å; F133-M159 WeakPolarHBondContact CE1-SD 3.44Å; F133-M159 HydrophobicContact CG-SD 4.49Å; F133-M159 HydrophobicContact CZ-CE 4.4Å; F133-M159 HydrophobicContact CZ-SD 4.26Å
134C92.4Very high96.6Very high40 Ų4052.3 Ų52.327%0.2726%0.258SS..G310 helixtrans-64.9-9.4174.4590000114.7D132 M136 V155 R158D132-C134 PolarHBondContact O-N 3.15Å; D132-C134 VanDerWaalsContact O-N 3.07Å; C134-M136 PolarHBondContact O-N 2.98Å; C134-V155 HydrophobicContact CB-CG2 4.01Å; C134-R158 HydrophobicContact CB-CB 4.15Å; C134-R158 PolarHBondContact SG-NH2 3.1Å; C134-R158 VanDerWaalsContact SG-NH2 3.38Å
135R94.8Very high96.6Very high128 Ų12854.2 Ų54.248%0.48327%0.265SS..G310 helixtrans-66.5-16.1171.5-70.2177.460.7-161.4-13113.3D112 D132 F133 E137D112-R135 IonicContact OD1-CZ 3.69Å; D112-R135 IonicContact OD1-NH2 2.67Å; D112-R135 PolarHBondContact OD1-NH2 2.9Å; D132-R135 VanDerWaalsContact O-CB 3.29Å; D132-R135 WeakPolarHBondContact O-CB 3.41Å; D132-R135 VanDerWaalsContact O-CG 3.32Å; D132-R135 WeakPolarHBondContact O-CG 3.45Å; D132-R135 PolarHBondContact O-N 2.82Å; F133-R135 PolarHBondContact O-N 2.99Å; F133-R135 VanDerWaalsContact O-N 3.11Å; R135-E137 PolarHBondContact O-N 2.79Å
136M96.4Very high96.6Very high11 Ų1151.1 Ų51.15%0.05426%0.259CS..  trans-81.360.4-179.9-60.1-178.169.300111.5F106 L110 Y111 L116 L119 F133 C134 S138 L139 M159F106-M136 HydrophobicContact CE1-SD 3.92Å; F106-M136 HydrophobicContact CZ-CE 4.3Å; F106-M136 HydrophobicContact CZ-SD 3.69Å; L110-M136 HydrophobicContact CB-CE 3.94Å; L110-M136 HydrophobicContact CB-SD 4.37Å; Y111-M136 HydrophobicContact CD1-CG 4.06Å; Y111-M136 HydrophobicContact CD1-SD 4.09Å; L116-M136 HydrophobicContact CD2-CE 3.74Å; L119-M136 HydrophobicContact CD2-CE 4.05Å; F133-M136 HydrophobicContact CD2-SD 3.8Å; F133-M136 HydrophobicContact CE2-SD 3.5Å; F133-M136 VanDerWaalsContact CE2-SD 3.5Å; F133-M136 HydrophobicContact CZ-SD 4.23Å; F133-M136 PolarHBondContact O-N 2.94Å; C134-M136 PolarHBondContact O-N 2.98Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 2.94Å; M136-L139 HydrophobicContact CB-CB 4.28Å; M136-L139 HydrophobicContact CE-CD2 4.42Å; M136-L139 VanDerWaalsContact O-CB 3.27Å; M136-L139 WeakPolarHBondContact O-CB 3.4Å; M136-L139 PolarHBondContact O-N 2.79Å; M136-L139 VanDerWaalsContact O-N 3.13Å; M136-M159 HydrophobicContact CB-CE 4.23Å
137E93.3Very high96.6Very high156 Ų15651.5 Ų51.573%0.72926%0.261SS*.THydrogen-bonded Turntrans-63.2-30.7-169-65178.1179.100114R135 L139 S161R135-E137 PolarHBondContact O-N 2.79Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 2.95Å; E137-S161 PolarHBondContact O-OG 3.26Å
138S96.6Very high96.6Very high52 Ų5250.3 Ų50.336%0.36425%0.253SS..THydrogen-bonded Turntrans-76.2-8.8178.9-66.30000114.3P114 L116 M136 K140P114-S138 VanDerWaalsContact O-CB 3.24Å; P114-S138 WeakPolarHBondContact O-CB 3.08Å; P114-S138 PolarHBondContact O-OG 2.85Å; L116-S138 CarbonylContact O-C 3.12Å; M136-S138 VanDerWaalsContact C-N 3.29Å; M136-S138 PolarHBondContact O-N 2.94Å; S138-K140 PolarHBondContact O-N 3.12Å
139L98.3Very high96.6Very high1 Ų147.3 Ų47.31%0.00523%0.228CC..  trans-72.4125.1-174.2-165.572.3000110.7L116 L119 F133 M136 E137 L142 M159 S161 L162L116-L139 HydrophobicContact CG-CD1 4.39Å; L116-L139 WeakPolarHBondContact O-CA 3.43Å; L116-L139 PolarHBondContact O-N 2.95Å; L119-L139 HydrophobicContact CB-CD1 3.75Å; F133-L139 HydrophobicContact CZ-CD2 4.09Å; M136-L139 HydrophobicContact CB-CB 4.28Å; M136-L139 HydrophobicContact CE-CD2 4.42Å; M136-L139 VanDerWaalsContact O-CB 3.27Å; M136-L139 WeakPolarHBondContact O-CB 3.4Å; M136-L139 PolarHBondContact O-N 2.79Å; M136-L139 VanDerWaalsContact O-N 3.13Å; E137-L139 VanDerWaalsContact C-N 3.25Å; E137-L139 PolarHBondContact O-N 2.95Å; L139-L142 HydrophobicContact CD2-CB 4.03Å; L139-L142 HydrophobicContact CD2-CD1 4.16Å; L139-L142 HydrophobicContact CD2-CD2 4.35Å; L139-L142 HydrophobicContact CD2-CG 4.41Å; L139-M159 HydrophobicContact CB-CE 4.06Å; L139-M159 HydrophobicContact CD2-CE 3.88Å; L139-S161 PolarHBondContact O-OG 3.2Å; L139-L162 HydrophobicContact CD2-CD2 4.28Å; L139-L162 HydrophobicContact CG-CD2 4.26Å
140K98.6Very high96.6Very high82 Ų8252.1 Ų52.136%0.35725%0.25SC..  trans-111.6-39-179.8-68.1-179.7165.5-125.50112.2K117 S138 E163 I164K117-K140 PolarHBondContact O-N 3.01Å; S138-K140 PolarHBondContact O-N 3.12Å; K140-E163 HydrophobicContact CB-CG 4.4Å; K140-E163 WeakPolarHBondContact CD-OE1 3.49Å; K140-E163 WeakPolarHBondContact CE-OE1 3.34Å; K140-E163 IonicContact NZ-OE1 3.9Å; K140-E163 PolarHBondContact NZ-OE1 2.95Å; K140-E163 PolarHBondContact O-N 3.34Å; K140-I164 PolarHBondContact O-N 3.24Å
141G98.8Very high96.8Very high4 Ų455.2 Ų55.24%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-118.3125.6178.400000111.5K117 S118 L119 W143K117-G141 PolarHBondContact O-N 3.41Å; S118-G141 WeakPolarHBondContact CA-O 3.25Å; L119-G141 PolarHBondContact N-O 2.9Å; G141-W143 VanDerWaalsContact C-CZ3 3.49Å
142L98.8Very high97.1Very high0 Ų048.2 Ų48.20%024%0.235CC..EExtended strand (participates in β ladder)trans-131.9118.2177.9178.460.2000110.4L119 F133 L139 L144 L156 L162 I164 L165 D166L119-L142 HydrophobicContact CB-CD1 4.31Å; L119-L142 HydrophobicContact CD2-CD1 4.13Å; L119-L142 HydrophobicContact CG-CD1 4.34Å; F133-L142 HydrophobicContact CE1-CD2 3.63Å; F133-L142 HydrophobicContact CZ-CD1 4.11Å; F133-L142 HydrophobicContact CZ-CD2 3.54Å; F133-L142 HydrophobicContact CZ-CG 4.48Å; L139-L142 HydrophobicContact CD2-CB 4.03Å; L139-L142 HydrophobicContact CD2-CD1 4.16Å; L139-L142 HydrophobicContact CD2-CD2 4.35Å; L139-L142 HydrophobicContact CD2-CG 4.41Å; L142-L144 HydrophobicContact CD1-CD1 4.11Å; L142-L144 HydrophobicContact CD1-CD2 4.26Å; L142-L144 HydrophobicContact CD1-CG 3.89Å; L142-L144 HydrophobicContact CD2-CD1 3.74Å; L142-L144 HydrophobicContact CD2-CG 4.37Å; L142-L144 HydrophobicContact CG-CD1 3.86Å; L142-L144 HydrophobicContact CG-CG 3.93Å; L142-L156 HydrophobicContact CD2-CD2 3.55Å; L142-L162 HydrophobicContact CB-CD2 4.01Å; L142-I164 PolarHBondContact N-O 2.76Å; L142-L165 HydrophobicContact CB-CD1 4.35Å; L142-L165 HydrophobicContact CD2-CD1 4.08Å; L142-L165 HydrophobicContact CG-CD1 4.28Å; L142-L165 WeakPolarHBondContact O-CA 3.42Å; L142-D166 PolarHBondContact O-N 3.35Å
143W98.8Very high97.3Very high47 Ų4744.9 Ų44.918%0.17822%0.219CC..EExtended strand (participates in β ladder)trans-115.7119.1176.8-64.6-102.7000110.3S118 L119 Q120 M121 G122 G141 Y145 I164 D166S118-W143 VanDerWaalsContact OG-CZ3 3.24Å; S118-W143 WeakPolarHBondContact OG-CZ3 3.16Å; L119-W143 PolarHBondContact O-N 3.09Å; Q120-W143 VanDerWaalsContact CD-CB 3.46Å; Q120-W143 VanDerWaalsContact CD-CD2 3.43Å; Q120-W143 HydrophobicContact CG-CB 4.44Å; Q120-W143 HydrophobicContact CG-CD2 4.27Å; Q120-W143 HydrophobicContact CG-CE3 3.94Å; Q120-W143 VanDerWaalsContact NE2-CE3 3.29Å; Q120-W143 VanDerWaalsContact OE1-CG 3.26Å; M121-W143 CarbonylContact C-O 3.52Å; M121-W143 WeakPolarHBondContact CA-O 3.42Å; M121-W143 PolarHBondContact N-O 3.37Å; G122-W143 PolarHBondContact N-O 2.95Å; G141-W143 VanDerWaalsContact C-CZ3 3.49Å; W143-Y145 HydrophobicContact CB-CD1 4.11Å; W143-Y145 HydrophobicContact CB-CE1 4.25Å; W143-I164 HydrophobicContact CH2-CD1 4.36Å; W143-I164 HydrophobicContact CZ2-CB 4.39Å; W143-I164 HydrophobicContact CZ2-CD1 4.03Å; W143-I164 HydrophobicContact CZ2-CG2 3.8Å; W143-D166 HydrophobicContact CB-CB 4.26Å; W143-D166 VanDerWaalsContact CD1-CB 3.46Å; W143-D166 HydrophobicContact CG-CB 4.03Å
144L98.8Very high97.4Very high0 Ų052.7 Ų52.70%025%0.253CS..  trans-12920.6-174.6-73.2173000111M121 L126 L129 L142 N147 F149 D166 L167 N170M121-L144 HydrophobicContact CB-CD2 3.89Å; L126-L144 HydrophobicContact CD1-CD2 3.81Å; L129-L144 HydrophobicContact CD1-CD1 3.89Å; L129-L144 HydrophobicContact CD2-CD1 4.27Å; L129-L144 HydrophobicContact CG-CD1 4.46Å; L142-L144 HydrophobicContact CD1-CD1 4.11Å; L142-L144 HydrophobicContact CD1-CD2 4.26Å; L142-L144 HydrophobicContact CD1-CG 3.89Å; L142-L144 HydrophobicContact CD2-CD1 3.74Å; L142-L144 HydrophobicContact CD2-CG 4.37Å; L142-L144 HydrophobicContact CG-CD1 3.86Å; L142-L144 HydrophobicContact CG-CG 3.93Å; L144-N147 WeakPolarHBondContact O-CB 3.47Å; L144-N147 PolarHBondContact O-ND2 3.45Å; L144-F149 HydrophobicContact CB-CE2 4.01Å; L144-F149 HydrophobicContact CD1-CE2 4.19Å; L144-F149 HydrophobicContact CD1-CZ 4.22Å; L144-F149 HydrophobicContact CD2-CE2 4.26Å; L144-F149 HydrophobicContact CD2-CZ 4.37Å; L144-F149 HydrophobicContact CG-CE2 4.4Å; L144-D166 CarbonylContact C-O 3.11Å; L144-D166 WeakPolarHBondContact CA-O 3.39Å; L144-D166 WeakPolarHBondContact CB-O 3.48Å; L144-D166 PolarHBondContact N-O 3.32Å; L144-L167 HydrophobicContact CB-CD2 3.82Å; L144-L167 HydrophobicContact CD1-CD2 4.07Å; L144-N170 PolarHBondContact O-ND2 3.33Å
145Y98.7Very high97.6Very high49 Ų4951.4 Ų51.419%0.19224%0.243CC..THydrogen-bonded Turntrans-58155.6179.765.9-95.3000111.9G122 D123 W143 N147 D166 D168G122-Y145 CarbonylContact C-O 3.46Å; G122-Y145 WeakPolarHBondContact CA-O 3.28Å; D123-Y145 PolarHBondContact N-O 3.32Å; D123-Y145 WeakPolarHBondContact OD2-CE2 3.35Å; W143-Y145 HydrophobicContact CB-CD1 4.11Å; W143-Y145 HydrophobicContact CB-CE1 4.25Å; Y145-N147 PolarHBondContact O-N 2.79Å; Y145-N147 VanDerWaalsContact O-N 3.16Å; Y145-N147 PolarHBondContact O-ND2 3.22Å; Y145-D166 PolarHBondContact N-O 3.2Å; Y145-D168 CarbonylContact C-O 3.29Å; Y145-D168 WeakPolarHBondContact CA-O 3.3Å; Y145-D168 WeakPolarHBondContact CB-O 3.49Å
146G98.6Very high97.7Very high18 Ų1845.3 Ų45.319%0.18622%0.22CC..THydrogen-bonded Turntrans64.824.1172.900000114.7D123 D168 K169D123-G146 WeakPolarHBondContact CA-O 3.43Å; G146-D168 PolarHBondContact N-O 3.48Å; G146-K169 CarbonylContact C-O 3.56Å; G146-K169 WeakPolarHBondContact CA-O 3.39Å; G146-K169 PolarHBondContact N-O 3.31Å
147N98.8Very high97.7Very high9 Ų946.7 Ų46.75%0.04823%0.228CC..SBendtrans-97-158.9175.3-84.5-78.6000110.7M121 N124 R125 L126 L144 Y145 F149 N170M121-N147 PolarHBondContact O-ND2 3.42Å; N124-N147 WeakPolarHBondContact CA-OD1 3.31Å; N124-N147 VanDerWaalsContact CB-OD1 3.23Å; N124-N147 WeakPolarHBondContact CB-OD1 3.2Å; R125-N147 PolarHBondContact N-OD1 3.43Å; L126-N147 HydrophobicContact CB-CB 4.31Å; L126-N147 VanDerWaalsContact CB-OD1 3.28Å; L126-N147 WeakPolarHBondContact CB-OD1 3.41Å; L126-N147 WeakPolarHBondContact CG-OD1 3.5Å; L126-N147 PolarHBondContact N-OD1 3.17Å; L144-N147 WeakPolarHBondContact O-CB 3.47Å; L144-N147 PolarHBondContact O-ND2 3.45Å; Y145-N147 PolarHBondContact O-N 2.79Å; Y145-N147 VanDerWaalsContact O-N 3.16Å; Y145-N147 PolarHBondContact O-ND2 3.22Å; N147-F149 HydrophobicContact CB-CD2 3.71Å; N147-F149 HydrophobicContact CB-CE2 3.6Å; N147-N170 VanDerWaalsContact CA-OD1 3.24Å; N147-N170 WeakPolarHBondContact CA-OD1 3.42Å; N147-N170 VanDerWaalsContact CB-OD1 3.23Å; N147-N170 WeakPolarHBondContact CB-OD1 3.33Å; N147-N170 PolarHBondContact N-OD1 2.88Å; N147-N170 PolarHBondContact O-OD1 2.67Å
148R98.4Very high97.8Very high105 Ų10545.8 Ų45.840%0.39622%0.218SC..  trans-126.933.1-175-55.8176-176.5-174-5.2111.3L126 K127 E150 N170L126-R148 CarbonylContact O-C 3.33Å; L126-R148 VanDerWaalsContact O-CA 3.3Å; L126-R148 WeakPolarHBondContact O-CA 3.41Å; L126-R148 WeakPolarHBondContact O-CB 3.17Å; L126-R148 PolarHBondContact O-N 3.1Å; K127-R148 HydrophobicContact CG-CB 4.13Å; R148-E150 PolarHBondContact O-N 3.23Å; R148-N170 PolarHBondContact N-OD1 3.14Å
149F98.6Very high97.8Very high1 Ų143.5 Ų43.50%0.00420%0.201CC..  trans-69.5114.7176.5-65.5-73.4000109.6L126 K127 L129 L144 N147 P153 L167 N170 K171 I172L126-F149 HydrophobicContact CB-CE1 4.37Å; L126-F149 HydrophobicContact CB-CE2 4.1Å; L126-F149 HydrophobicContact CB-CZ 3.71Å; L126-F149 HydrophobicContact CD1-CZ 4.29Å; K127-F149 WeakPolarHBondContact O-CD1 3.24Å; L129-F149 HydrophobicContact CD2-CE1 4.37Å; L129-F149 HydrophobicContact CD2-CZ 4.05Å; L129-F149 HydrophobicContact CG-CE1 4.03Å; L129-F149 HydrophobicContact CG-CZ 4.1Å; L144-F149 HydrophobicContact CB-CE2 4.01Å; L144-F149 HydrophobicContact CD1-CE2 4.19Å; L144-F149 HydrophobicContact CD1-CZ 4.22Å; L144-F149 HydrophobicContact CD2-CE2 4.26Å; L144-F149 HydrophobicContact CD2-CZ 4.37Å; L144-F149 HydrophobicContact CG-CE2 4.4Å; N147-F149 HydrophobicContact CB-CD2 3.71Å; N147-F149 HydrophobicContact CB-CE2 3.6Å; F149-P153 HydrophobicContact CD1-CG 3.63Å; F149-P153 HydrophobicContact CE1-CG 3.75Å; F149-P153 HydrophobicContact CG-CG 4.25Å; F149-P153 HydrophobicContact CZ-CG 4.5Å; F149-L167 HydrophobicContact CD2-CD2 4.36Å; F149-N170 HydrophobicContact CB-CB 4.27Å; F149-N170 WeakPolarHBondContact CD2-OD1 3.37Å; F149-N170 PolarHBondContact N-OD1 3.42Å; F149-N170 VanDerWaalsContact N-OD1 3.1Å; F149-K171 CarbonylContact O-C 3.33Å; F149-K171 VanDerWaalsContact O-CA 3.25Å; F149-K171 WeakPolarHBondContact O-CA 3.39Å; F149-K171 WeakPolarHBondContact O-CB 3.35Å; F149-K171 PolarHBondContact O-N 2.94Å; F149-I172 HydrophobicContact CB-CD1 4.21Å; F149-I172 HydrophobicContact CB-CG1 4.02Å; F149-I172 WeakPolarHBondContact O-CG1 3.35Å; F149-I172 PolarHBondContact O-N 3.14Å
150E97.7Very high97.6Very high119 Ų11948 Ų4856%0.55622%0.222SC*.SBendtrans-86.2-20.1175.1-68174.2-166.200112.2R148 K171R148-E150 PolarHBondContact O-N 3.23Å; E150-K171 WeakPolarHBondContact CA-O 3.27Å; E150-K171 HydrophobicContact CG-CB 4.25Å
151T97.8Very high97.4Very high97 Ų9746 Ų4660%0.59522%0.218SC*.SBendtrans-136.7153.8177.257.80000109.8P153T151-P153 WeakPolarHBondContact O-CD 3Å
152F97.9Very high97.4Very high11 Ų1145.8 Ų45.85%0.04822%0.216CC..  trans-61126.4174.4-177-87.3000110.9K154 L156 L157 L165 L167 I172 L175 P176 L178 F187F152-K154 PolarHBondContact O-N 3.05Å; F152-L156 HydrophobicContact CE1-CB 4.06Å; F152-L156 HydrophobicContact CE2-CD1 4.44Å; F152-L156 HydrophobicContact CZ-CB 3.93Å; F152-L156 HydrophobicContact CZ-CD1 4.09Å; F152-L157 HydrophobicContact CE1-CD2 3.81Å; F152-L157 HydrophobicContact CE1-CG 3.93Å; F152-L157 HydrophobicContact CZ-CD2 4.24Å; F152-L165 HydrophobicContact CE2-CD2 4.28Å; F152-L165 HydrophobicContact CZ-CD2 4.39Å; F152-L167 HydrophobicContact CD2-CD1 3.74Å; F152-L167 HydrophobicContact CE2-CD1 3.63Å; F152-I172 HydrophobicContact CB-CG2 4.35Å; F152-L175 HydrophobicContact CB-CD2 4.44Å; F152-L175 HydrophobicContact CD2-CD2 3.73Å; F152-L175 HydrophobicContact CG-CD2 4.48Å; F152-P176 HydrophobicContact CB-CG 4.33Å; F152-P176 HydrophobicContact CD1-CG 3.48Å; F152-P176 VanDerWaalsContact CD1-CG 3.48Å; F152-P176 HydrophobicContact CD2-CG 4.37Å; F152-P176 HydrophobicContact CE1-CG 3.81Å; F152-P176 VanDerWaalsContact CG-CD 3.44Å; F152-P176 HydrophobicContact CG-CG 3.79Å; F152-P176 HydrophobicContact CZ-CG 4.37Å; F152-L178 HydrophobicContact CE1-CD2 4.32Å; F152-L178 HydrophobicContact CE2-CD2 3.97Å; F152-L178 HydrophobicContact CZ-CD2 3.64Å; F152-F187 HydrophobicContact CE2-CZ 4.46Å
153P97.5Very high97.4Very high13 Ų1348.4 Ų48.48%0.08423%0.229CC..  trans-67.797.3177-20.233000112L129 F149 T151 V155 L156L129-P153 HydrophobicContact CB-CB 4.11Å; L129-P153 HydrophobicContact CD1-CB 3.84Å; L129-P153 HydrophobicContact CD1-CG 4.18Å; L129-P153 HydrophobicContact CG-CB 4.01Å; L129-P153 HydrophobicContact CG-CG 4.23Å; F149-P153 HydrophobicContact CD1-CG 3.63Å; F149-P153 HydrophobicContact CE1-CG 3.75Å; F149-P153 HydrophobicContact CG-CG 4.25Å; F149-P153 HydrophobicContact CZ-CG 4.5Å; T151-P153 WeakPolarHBondContact O-CD 3Å; P153-V155 HydrophobicContact CB-CG1 4.34Å; P153-V155 PolarHBondContact O-N 3.27Å; P153-L156 HydrophobicContact CB-CD1 3.99Å; P153-L156 HydrophobicContact CB-CG 4.18Å; P153-L156 HydrophobicContact CG-CD1 4.14Å; P153-L156 WeakPolarHBondContact O-CB 3.47Å; P153-L156 WeakPolarHBondContact O-CG 3.3Å; P153-L156 PolarHBondContact O-N 3.14Å
154K96.7Very high97.4Very high164 Ų16448.4 Ų48.471%0.71323%0.232SC*.G310 helixtrans-57.1-21.4-175.1-67.5-176.2179.3177.40114.9F152 L156 L157F152-K154 PolarHBondContact O-N 3.05Å; K154-L156 PolarHBondContact O-N 2.82Å; K154-L157 WeakPolarHBondContact O-CB 3.19Å; K154-L157 PolarHBondContact O-N 3.26Å; K154-L157 VanDerWaalsContact O-N 3.13Å
155V96.6Very high97.4Very high13 Ų1348.4 Ų48.48%0.07923%0.232CC..G310 helixtrans-58.3-30.7173.263.20000112.6L129 Q131 F133 C134 P153 L157 R158L129-V155 HydrophobicContact CB-CG1 3.74Å; L129-V155 HydrophobicContact CD1-CG1 4.24Å; Q131-V155 WeakPolarHBondContact O-CG2 3.22Å; F133-V155 HydrophobicContact CB-CG1 4.1Å; F133-V155 HydrophobicContact CB-CG2 3.87Å; F133-V155 HydrophobicContact CD1-CG1 4.19Å; C134-V155 HydrophobicContact CB-CG2 4.01Å; P153-V155 HydrophobicContact CB-CG1 4.34Å; P153-V155 PolarHBondContact O-N 3.27Å; V155-L157 PolarHBondContact O-N 2.84Å; V155-R158 PolarHBondContact O-N 2.93Å; V155-R158 VanDerWaalsContact O-N 3.09Å
156L97.2Very high97.4Very high0 Ų047.1 Ų47.10%023%0.228CC..G310 helixtrans-63.2-25.8177.8-64172.9000112.6L129 F133 L142 F152 P153 K154 R158 M159 L162 L165 L167 L181L129-L156 HydrophobicContact CD1-CD1 4.15Å; L129-L156 HydrophobicContact CD1-CD2 3.74Å; L129-L156 HydrophobicContact CD1-CG 3.94Å; F133-L156 HydrophobicContact CD1-CD2 4.02Å; F133-L156 HydrophobicContact CE1-CD2 3.54Å; L142-L156 HydrophobicContact CD2-CD2 3.55Å; F152-L156 HydrophobicContact CE1-CB 4.06Å; F152-L156 HydrophobicContact CE2-CD1 4.44Å; F152-L156 HydrophobicContact CZ-CB 3.93Å; F152-L156 HydrophobicContact CZ-CD1 4.09Å; P153-L156 HydrophobicContact CB-CD1 3.99Å; P153-L156 HydrophobicContact CB-CG 4.18Å; P153-L156 HydrophobicContact CG-CD1 4.14Å; P153-L156 WeakPolarHBondContact O-CB 3.47Å; P153-L156 WeakPolarHBondContact O-CG 3.3Å; P153-L156 PolarHBondContact O-N 3.14Å; K154-L156 PolarHBondContact O-N 2.82Å; L156-R158 PolarHBondContact O-N 3.13Å; L156-R158 VanDerWaalsContact O-N 3.13Å; L156-M159 HydrophobicContact CD2-SD 3.87Å; L156-M159 PolarHBondContact O-N 2.85Å; L156-L162 HydrophobicContact CD2-CD1 4.19Å; L156-L165 HydrophobicContact CD1-CD1 4.03Å; L156-L165 HydrophobicContact CD1-CD2 4.11Å; L156-L167 HydrophobicContact CD1-CD1 4.39Å; L156-L181 WeakPolarHBondContact O-CD2 3.39Å
157L96.2Very high97.4Very high39 Ų3946.3 Ų46.320%0.20422%0.22CC..G310 helixtrans-66.2-13.2176.6-59177.6000113.3F152 K154 V155 P176 L178F152-L157 HydrophobicContact CE1-CD2 3.81Å; F152-L157 HydrophobicContact CE1-CG 3.93Å; F152-L157 HydrophobicContact CZ-CD2 4.24Å; K154-L157 WeakPolarHBondContact O-CB 3.19Å; K154-L157 PolarHBondContact O-N 3.26Å; K154-L157 VanDerWaalsContact O-N 3.13Å; V155-L157 PolarHBondContact O-N 2.84Å; L157-P176 HydrophobicContact CD1-CB 4.34Å; L157-P176 HydrophobicContact CD1-CG 4.24Å; L157-P176 HydrophobicContact CD2-CG 4.02Å; L157-L178 HydrophobicContact CD2-CD2 3.67Å
158R95.6Very high97.3Very high137 Ų13746.9 Ų46.952%0.51722%0.223SC..G310 helixtrans-95.5-5.1175.2-60.4-166.5-64.8-112.66.6113.2Q131 C134 V155 L156 E160Q131-R158 PolarHBondContact O-NH2 2.66Å; C134-R158 HydrophobicContact CB-CB 4.15Å; C134-R158 PolarHBondContact SG-NH2 3.1Å; C134-R158 VanDerWaalsContact SG-NH2 3.38Å; V155-R158 PolarHBondContact O-N 2.93Å; V155-R158 VanDerWaalsContact O-N 3.09Å; L156-R158 PolarHBondContact O-N 3.13Å; L156-R158 VanDerWaalsContact O-N 3.13Å; R158-E160 PolarHBondContact O-N 2.72Å
159M95.5Very high97.3Very high5 Ų547 Ų473%0.02523%0.226CC..  trans-9571-175.9-61.7-173.172.300110.3F133 M136 L139 L156 S161 L162F133-M159 HydrophobicContact CD1-CE 4.21Å; F133-M159 HydrophobicContact CD1-SD 3.29Å; F133-M159 WeakPolarHBondContact CD1-SD 3.37Å; F133-M159 HydrophobicContact CE1-CE 3.78Å; F133-M159 HydrophobicContact CE1-SD 3.16Å; F133-M159 WeakPolarHBondContact CE1-SD 3.44Å; F133-M159 HydrophobicContact CG-SD 4.49Å; F133-M159 HydrophobicContact CZ-CE 4.4Å; F133-M159 HydrophobicContact CZ-SD 4.26Å; M136-M159 HydrophobicContact CB-CE 4.23Å; L139-M159 HydrophobicContact CB-CE 4.06Å; L139-M159 HydrophobicContact CD2-CE 3.88Å; L156-M159 HydrophobicContact CD2-SD 3.87Å; L156-M159 PolarHBondContact O-N 2.85Å; M159-S161 PolarHBondContact O-N 2.9Å; M159-S161 VanDerWaalsContact O-N 3.11Å; M159-L162 HydrophobicContact CB-CD1 3.63Å; M159-L162 HydrophobicContact CB-CG 3.83Å; M159-L162 HydrophobicContact CE-CD1 4.48Å; M159-L162 HydrophobicContact CE-CD2 4.5Å; M159-L162 HydrophobicContact CE-CG 4.44Å; M159-L162 HydrophobicContact CG-CD1 4.49Å; M159-L162 WeakPolarHBondContact O-CB 3.23Å; M159-L162 PolarHBondContact O-N 2.89Å; M159-L162 VanDerWaalsContact O-N 3.14Å; M159-L162 HydrophobicContact SD-CD1 4.15Å
160E93.8Very high97.3Very high94 Ų9447.5 Ų47.544%0.43923%0.229SC..THydrogen-bonded Turntrans-69.8-5.3-172.7-59.4-173.2178.600114.1R158 R180 T183R158-E160 PolarHBondContact O-N 2.72Å; E160-R180 IonicContact OE1-NH2 3.53Å; E160-T183 WeakPolarHBondContact O-CG2 3.49Å; E160-T183 PolarHBondContact O-OG1 2.63Å
161S95.5Very high97.3Very high40 Ų4047.6 Ų47.628%0.2823%0.227SC..THydrogen-bonded Turntrans-91.4-5.5173.553.90000114.2E137 L139 M159 E163 T183E137-S161 PolarHBondContact O-OG 3.26Å; L139-S161 PolarHBondContact O-OG 3.2Å; M159-S161 PolarHBondContact O-N 2.9Å; M159-S161 VanDerWaalsContact O-N 3.11Å; S161-E163 PolarHBondContact O-N 3.39Å; S161-T183 VanDerWaalsContact C-OG1 3.25Å
162L97.8Very high97.3Very high0 Ų043 Ų430%020%0.199CC..  trans-68.1127.5179.3-77.2175.2000111.3L139 L142 L156 M159 T183 L184L139-L162 HydrophobicContact CD2-CD2 4.28Å; L139-L162 HydrophobicContact CG-CD2 4.26Å; L142-L162 HydrophobicContact CB-CD2 4.01Å; L156-L162 HydrophobicContact CD2-CD1 4.19Å; M159-L162 HydrophobicContact CB-CD1 3.63Å; M159-L162 HydrophobicContact CB-CG 3.83Å; M159-L162 HydrophobicContact CE-CD1 4.48Å; M159-L162 HydrophobicContact CE-CD2 4.5Å; M159-L162 HydrophobicContact CE-CG 4.44Å; M159-L162 HydrophobicContact CG-CD1 4.49Å; M159-L162 WeakPolarHBondContact O-CB 3.23Å; M159-L162 PolarHBondContact O-N 2.89Å; M159-L162 VanDerWaalsContact O-N 3.14Å; M159-L162 HydrophobicContact SD-CD1 4.15Å; L162-T183 PolarHBondContact N-OG1 2.82Å; L162-T183 CarbonylContact O-C 3.59Å; L162-T183 VanDerWaalsContact O-C 3.3Å; L162-T183 PolarHBondContact O-OG1 2.98Å; L162-L184 WeakPolarHBondContact O-CA 3.27Å; L162-L184 PolarHBondContact O-N 3.14Å
163E98.4Very high97.2Very high55 Ų5545.9 Ų45.926%0.25722%0.218SC..SBendtrans-103-34.8177-67.8170.6-16300110.9K140 S161 T183 H185 L186K140-E163 HydrophobicContact CB-CG 4.4Å; K140-E163 WeakPolarHBondContact CD-OE1 3.49Å; K140-E163 WeakPolarHBondContact CE-OE1 3.34Å; K140-E163 IonicContact NZ-OE1 3.9Å; K140-E163 PolarHBondContact NZ-OE1 2.95Å; K140-E163 PolarHBondContact O-N 3.34Å; S161-E163 PolarHBondContact O-N 3.39Å; E163-T183 WeakPolarHBondContact CA-O 3.38Å; E163-H185 PolarHBondContact O-N 3.13Å; E163-L186 PolarHBondContact O-N 3.45Å; E163-L186 VanDerWaalsContact O-N 3.14Å
164I98.7Very high97.1Very high48 Ų4852.5 Ų52.525%0.24625%0.248CC..EExtended strand (participates in β ladder)trans-130.8126.5180-58.9173.8000109.2K140 L142 W143 L186K140-I164 PolarHBondContact O-N 3.24Å; L142-I164 PolarHBondContact N-O 2.76Å; W143-I164 HydrophobicContact CH2-CD1 4.36Å; W143-I164 HydrophobicContact CZ2-CB 4.39Å; W143-I164 HydrophobicContact CZ2-CD1 4.03Å; W143-I164 HydrophobicContact CZ2-CG2 3.8Å; I164-L186 HydrophobicContact CG1-CB 4.2Å; I164-L186 HydrophobicContact CG2-CB 4.29Å; I164-L186 HydrophobicContact CG2-CD2 3.89Å; I164-L186 HydrophobicContact CG2-CG 4.31Å
165L98.6Very high97.1Very high0 Ų046.1 Ų46.10%022%0.221CC..EExtended strand (participates in β ladder)trans-130.9121.2171.9176.162.7000110L142 F152 L156 L167 L184 L186 F187 S188L142-L165 HydrophobicContact CB-CD1 4.35Å; L142-L165 HydrophobicContact CD2-CD1 4.08Å; L142-L165 HydrophobicContact CG-CD1 4.28Å; L142-L165 WeakPolarHBondContact O-CA 3.42Å; F152-L165 HydrophobicContact CE2-CD2 4.28Å; F152-L165 HydrophobicContact CZ-CD2 4.39Å; L156-L165 HydrophobicContact CD1-CD1 4.03Å; L156-L165 HydrophobicContact CD1-CD2 4.11Å; L165-L167 HydrophobicContact CD1-CG 4.17Å; L165-L167 HydrophobicContact CD2-CD1 4.23Å; L165-L167 HydrophobicContact CG-CD1 4.41Å; L165-L167 HydrophobicContact CG-CG 4.28Å; L165-L184 HydrophobicContact CB-CD1 4.03Å; L165-L186 PolarHBondContact N-O 3.34Å; L165-F187 HydrophobicContact CB-CD2 3.96Å; L165-F187 HydrophobicContact CD2-CD2 3.79Å; L165-F187 HydrophobicContact CD2-CE2 3.66Å; L165-F187 HydrophobicContact CG-CD2 3.81Å; L165-F187 HydrophobicContact CG-CE2 3.86Å; L165-F187 WeakPolarHBondContact O-CA 3.34Å; L165-F187 WeakPolarHBondContact O-CD2 3.13Å; L165-S188 PolarHBondContact O-N 2.75Å
166D98.7Very high97.1Very high22 Ų2247.3 Ų47.312%0.11823%0.229CC..EExtended strand (participates in β ladder)trans-118.1116.9175.7-174.15.5000110.7L142 W143 L144 Y145 D168 S188L142-D166 PolarHBondContact O-N 3.35Å; W143-D166 HydrophobicContact CB-CB 4.26Å; W143-D166 VanDerWaalsContact CD1-CB 3.46Å; W143-D166 HydrophobicContact CG-CB 4.03Å; L144-D166 CarbonylContact C-O 3.11Å; L144-D166 WeakPolarHBondContact CA-O 3.39Å; L144-D166 WeakPolarHBondContact CB-O 3.48Å; L144-D166 PolarHBondContact N-O 3.32Å; Y145-D166 PolarHBondContact N-O 3.2Å; D166-D168 WeakPolarHBondContact OD1-CB 3.42Å; D166-D168 PolarHBondContact OD1-N 3.29Å; D166-S188 VanDerWaalsContact OD1-CB 3.25Å; D166-S188 WeakPolarHBondContact OD1-CB 2.99Å; D166-S188 PolarHBondContact OD1-OG 3.4Å
167L98.6Very high97Very high0 Ų050.1 Ų50.10%025%0.249CC..  trans-120.518176.6-70174.5000111.5L144 F149 F152 L156 L165 N170 I172 F187 S188 N192L144-L167 HydrophobicContact CB-CD2 3.82Å; L144-L167 HydrophobicContact CD1-CD2 4.07Å; F149-L167 HydrophobicContact CD2-CD2 4.36Å; F152-L167 HydrophobicContact CD2-CD1 3.74Å; F152-L167 HydrophobicContact CE2-CD1 3.63Å; L156-L167 HydrophobicContact CD1-CD1 4.39Å; L165-L167 HydrophobicContact CD1-CG 4.17Å; L165-L167 HydrophobicContact CD2-CD1 4.23Å; L165-L167 HydrophobicContact CG-CD1 4.41Å; L165-L167 HydrophobicContact CG-CG 4.28Å; L167-N170 PolarHBondContact O-ND2 3.2Å; L167-I172 HydrophobicContact CB-CD1 4.18Å; L167-I172 HydrophobicContact CD1-CD1 3.95Å; L167-I172 HydrophobicContact CG-CD1 4.46Å; L167-F187 HydrophobicContact CB-CE2 4.46Å; L167-F187 HydrophobicContact CD1-CE2 3.95Å; L167-F187 HydrophobicContact CD1-CZ 4.29Å; L167-F187 HydrophobicContact CG-CE2 4.36Å; L167-S188 PolarHBondContact N-O 3.37Å; L167-N192 PolarHBondContact O-ND2 3.01Å
168D98.1Very high97Very high22 Ų2248.3 Ų48.312%0.11824%0.24CC..  trans-50.5153.2176.918035000112.1Y145 G146 D166 N170 D190 H191Y145-D168 CarbonylContact C-O 3.29Å; Y145-D168 WeakPolarHBondContact CA-O 3.3Å; Y145-D168 WeakPolarHBondContact CB-O 3.49Å; G146-D168 PolarHBondContact N-O 3.48Å; D166-D168 WeakPolarHBondContact OD1-CB 3.42Å; D166-D168 PolarHBondContact OD1-N 3.29Å; D168-N170 PolarHBondContact O-N 2.81Å; D168-N170 PolarHBondContact O-ND2 3.27Å; D168-N170 VanDerWaalsContact O-ND2 3.07Å; D168-D190 CarbonylContact C-O 3.6Å; D168-D190 VanDerWaalsContact CA-O 3.26Å; D168-D190 WeakPolarHBondContact CA-O 3.25Å; D168-D190 WeakPolarHBondContact OD1-CA 3.45Å; D168-D190 WeakPolarHBondContact OD1-CB 3.06Å; D168-H191 WeakPolarHBondContact OD1-CB 3.4Å; D168-H191 IonicContact OD1-CE1 3.95Å; D168-H191 IonicContact OD1-CG 3.5Å; D168-H191 IonicContact OD1-ND1 2.8Å; D168-H191 PolarHBondContact OD1-ND1 3.21Å; D168-H191 IonicContact OD2-ND1 3.83Å
169K98.1Very high96.9Very high108 Ų10848.2 Ų48.247%0.4724%0.243SC..SBendtrans5250.9174.8-66.1166.3-169.3170.60113.1G146 D190 H191G146-K169 CarbonylContact C-O 3.56Å; G146-K169 WeakPolarHBondContact CA-O 3.39Å; G146-K169 PolarHBondContact N-O 3.31Å; K169-D190 PolarHBondContact N-O 3.4Å; K169-H191 WeakPolarHBondContact CA-O 3.16Å; K169-H191 HydrophobicContact CB-CB 4.27Å; K169-H191 HydrophobicContact CG-CB 3.57Å
170N98.6Very high96.8Very high10 Ų1055.4 Ų55.45%0.05327%0.27CS..SBendtrans-117.2-162.3171.3-84.1-78.2000110L144 N147 R148 F149 L167 D168 I172 N192L144-N170 PolarHBondContact O-ND2 3.33Å; N147-N170 VanDerWaalsContact CA-OD1 3.24Å; N147-N170 WeakPolarHBondContact CA-OD1 3.42Å; N147-N170 VanDerWaalsContact CB-OD1 3.23Å; N147-N170 WeakPolarHBondContact CB-OD1 3.33Å; N147-N170 PolarHBondContact N-OD1 2.88Å; N147-N170 PolarHBondContact O-OD1 2.67Å; R148-N170 PolarHBondContact N-OD1 3.14Å; F149-N170 HydrophobicContact CB-CB 4.27Å; F149-N170 WeakPolarHBondContact CD2-OD1 3.37Å; F149-N170 PolarHBondContact N-OD1 3.42Å; F149-N170 VanDerWaalsContact N-OD1 3.1Å; L167-N170 PolarHBondContact O-ND2 3.2Å; D168-N170 PolarHBondContact O-N 2.81Å; D168-N170 PolarHBondContact O-ND2 3.27Å; D168-N170 VanDerWaalsContact O-ND2 3.07Å; N170-I172 HydrophobicContact CB-CD1 4.33Å; N170-I172 HydrophobicContact CB-CG1 4.18Å; N170-N192 WeakPolarHBondContact CA-OD1 3.29Å; N170-N192 WeakPolarHBondContact CB-OD1 3.4Å; N170-N192 PolarHBondContact N-ND2 3.5Å; N170-N192 PolarHBondContact N-OD1 3.05Å; N170-N192 PolarHBondContact O-OD1 2.87Å
171K98.1Very high96.9Very high121 Ų12151.1 Ų51.153%0.52625%0.25SC..  trans-12226.2-179.9-58.9-174.7179.8-171.50111.5F149 E150 T173 N192F149-K171 CarbonylContact O-C 3.33Å; F149-K171 VanDerWaalsContact O-CA 3.25Å; F149-K171 WeakPolarHBondContact O-CA 3.39Å; F149-K171 WeakPolarHBondContact O-CB 3.35Å; F149-K171 PolarHBondContact O-N 2.94Å; E150-K171 WeakPolarHBondContact CA-O 3.27Å; E150-K171 HydrophobicContact CG-CB 4.25Å; K171-T173 PolarHBondContact O-N 2.98Å; K171-N192 PolarHBondContact N-OD1 3.23Å
172I98.1Very high96.9Very high0 Ų059.7 Ų59.70%028%0.276CS..  trans-72.7123.5-175.6-58.6172.3000108.5F149 F152 L167 N170 E174 L175 N192 P193 V194F149-I172 HydrophobicContact CB-CD1 4.21Å; F149-I172 HydrophobicContact CB-CG1 4.02Å; F149-I172 WeakPolarHBondContact O-CG1 3.35Å; F149-I172 PolarHBondContact O-N 3.14Å; F152-I172 HydrophobicContact CB-CG2 4.35Å; L167-I172 HydrophobicContact CB-CD1 4.18Å; L167-I172 HydrophobicContact CD1-CD1 3.95Å; L167-I172 HydrophobicContact CG-CD1 4.46Å; N170-I172 HydrophobicContact CB-CD1 4.33Å; N170-I172 HydrophobicContact CB-CG1 4.18Å; I172-E174 WeakPolarHBondContact CG2-O 3.33Å; I172-L175 HydrophobicContact CG2-CD2 3.79Å; I172-L175 HydrophobicContact CG2-CG 4.36Å; I172-N192 HydrophobicContact CB-CB 4.39Å; I172-N192 VanDerWaalsContact CB-OD1 3.3Å; I172-N192 WeakPolarHBondContact CB-OD1 3.47Å; I172-N192 WeakPolarHBondContact CG1-OD1 3.23Å; I172-N192 PolarHBondContact N-OD1 3.09Å; I172-P193 CarbonylContact O-C 3.12Å; I172-P193 VanDerWaalsContact O-CD 3.24Å; I172-P193 WeakPolarHBondContact O-CD 3.42Å; I172-V194 HydrophobicContact CG2-CG2 4.48Å; I172-V194 VanDerWaalsContact O-CG2 3.23Å; I172-V194 WeakPolarHBondContact O-CG2 3.39Å
173T95.4Very high96.8Very high73 Ų7362 Ų6245%0.44829%0.29SS..  trans-94.3-24.7-179.546.70000113.1K171 P193K171-T173 PolarHBondContact O-N 2.98Å; T173-P193 WeakPolarHBondContact CA-O 3.18Å; T173-P193 HydrophobicContact CG2-CB 4.49Å; T173-P193 HydrophobicContact CG2-CG 3.84Å
174E95.1Very high96.8Very high151 Ų15159.6 Ų59.671%0.70628%0.279SS*.  trans-140.6138-175.9-65.7-177.9178.500110.8I172I172-E174 WeakPolarHBondContact CG2-O 3.33Å
175L96.4Very high96.7Very high30 Ų3062.3 Ų62.316%0.15729%0.29CS..  trans-115.7132.7177.4-66.4172.7000110.9F152 I172 F187 Y189 V194 P198F152-L175 HydrophobicContact CB-CD2 4.44Å; F152-L175 HydrophobicContact CD2-CD2 3.73Å; F152-L175 HydrophobicContact CG-CD2 4.48Å; I172-L175 HydrophobicContact CG2-CD2 3.79Å; I172-L175 HydrophobicContact CG2-CG 4.36Å; L175-F187 HydrophobicContact CD1-CE1 4.03Å; L175-F187 HydrophobicContact CD1-CZ 4.38Å; L175-F187 HydrophobicContact CD2-CZ 4.12Å; L175-Y189 HydrophobicContact CD1-CD1 4.23Å; L175-Y189 HydrophobicContact CD1-CD2 3.61Å; L175-Y189 HydrophobicContact CD1-CE2 4.19Å; L175-Y189 HydrophobicContact CD1-CG 3.65Å; L175-V194 HydrophobicContact CD1-CB 4.48Å; L175-V194 HydrophobicContact CD1-CG1 3.9Å; L175-V194 HydrophobicContact CD1-CG2 3.9Å; L175-V194 HydrophobicContact CG-CG1 4.17Å; L175-V194 HydrophobicContact CG-CG2 3.9Å; L175-P198 HydrophobicContact CB-CB 3.83Å; L175-P198 HydrophobicContact CB-CG 4.41Å; L175-P198 HydrophobicContact CD1-CB 4.19Å; L175-P198 HydrophobicContact CD1-CG 3.86Å
176P96.2Very high96.6Very high39 Ų3964.9 Ų64.925%0.25330%0.304SS..  trans-74.6169.8174.233.5-35.8000111F152 L157 L178F152-P176 HydrophobicContact CB-CG 4.33Å; F152-P176 HydrophobicContact CD1-CG 3.48Å; F152-P176 VanDerWaalsContact CD1-CG 3.48Å; F152-P176 HydrophobicContact CD2-CG 4.37Å; F152-P176 HydrophobicContact CE1-CG 3.81Å; F152-P176 VanDerWaalsContact CG-CD 3.44Å; F152-P176 HydrophobicContact CG-CG 3.79Å; F152-P176 HydrophobicContact CZ-CG 4.37Å; L157-P176 HydrophobicContact CD1-CB 4.34Å; L157-P176 HydrophobicContact CD1-CG 4.24Å; L157-P176 HydrophobicContact CD2-CG 4.02Å; P176-L178 HydrophobicContact CG-CD2 4.18Å; P176-L178 PolarHBondContact O-N 2.8Å
177S96Very high96.6Very high59 Ų5963.9 Ų63.941%0.41330%0.298SS..  trans-65124.7166.6169.70000110.7K199S177-K199 CarbonylContact C-O 3.37Å
178L96.4Very high96.6Very high1 Ų164.5 Ų64.51%0.00530%0.303CS..  trans-98.46.2177.5-52.4178.5000113.3F152 L157 P176 R180 L181 L184 F187 K199 V200F152-L178 HydrophobicContact CE1-CD2 4.32Å; F152-L178 HydrophobicContact CE2-CD2 3.97Å; F152-L178 HydrophobicContact CZ-CD2 3.64Å; L157-L178 HydrophobicContact CD2-CD2 3.67Å; P176-L178 HydrophobicContact CG-CD2 4.18Å; P176-L178 PolarHBondContact O-N 2.8Å; L178-R180 PolarHBondContact O-N 2.98Å; L178-L181 HydrophobicContact CB-CD1 4.37Å; L178-L181 HydrophobicContact CD2-CD1 4.27Å; L178-L181 WeakPolarHBondContact O-CB 3.24Å; L178-L181 PolarHBondContact O-N 2.76Å; L178-L184 HydrophobicContact CB-CD2 4.5Å; L178-L184 HydrophobicContact CD1-CD2 4.35Å; L178-F187 HydrophobicContact CD1-CD1 3.52Å; L178-F187 HydrophobicContact CD1-CD2 4.06Å; L178-F187 HydrophobicContact CD1-CE1 3.6Å; L178-F187 HydrophobicContact CD1-CE2 4.12Å; L178-F187 HydrophobicContact CD1-CG 3.77Å; L178-F187 HydrophobicContact CD1-CZ 3.89Å; L178-K199 PolarHBondContact N-O 2.96Å; L178-V200 HydrophobicContact CB-CG1 4.13Å; L178-V200 HydrophobicContact CD1-CG1 4.24Å
179K93.8Very high96.5Very high134 Ų13463.6 Ų63.658%0.58330%0.297SS*.THydrogen-bonded Turntrans-50.4-21.2177.2-73.7-167.4170.9-1650115.7K199K179-K199 HydrophobicContact CG-CB 4.49Å; K179-K199 PolarHBondContact N-O 3.29Å
180R93.3Very high96.4Very high157 Ų15760.8 Ų60.859%0.59229%0.288SS*.THydrogen-bonded Turntrans-75.6-22177.1-70.4-172.761.4174.3-2.8113.5E160 L178 R182E160-R180 IonicContact OE1-NH2 3.53Å; L178-R180 PolarHBondContact O-N 2.98Å; R180-R182 VanDerWaalsContact C-N 3.3Å; R180-R182 PolarHBondContact O-N 3.4Å
181L95.6Very high96.3Very high3 Ų365.7 Ų65.72%0.01631%0.31CS..  trans-81.579.7177.8-56.6-178.1000108.8L156 L178 T183 L184L156-L181 WeakPolarHBondContact O-CD2 3.39Å; L178-L181 HydrophobicContact CB-CD1 4.37Å; L178-L181 HydrophobicContact CD2-CD1 4.27Å; L178-L181 WeakPolarHBondContact O-CB 3.24Å; L178-L181 PolarHBondContact O-N 2.76Å; L181-T183 VanDerWaalsContact C-N 3.28Å; L181-T183 PolarHBondContact O-N 3.42Å; L181-L184 HydrophobicContact CB-CB 3.88Å; L181-L184 HydrophobicContact CB-CD2 4.18Å; L181-L184 HydrophobicContact CD1-CD2 4.09Å; L181-L184 VanDerWaalsContact O-CB 3.26Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 2.78Å
182R94.2Very high96.2Very high221 Ų22160.2 Ų60.283%0.83429%0.286SS*.THydrogen-bonded Turntrans-68.4-26-169.4-62-177.2-174.4-166.61.5113.7R180R180-R182 VanDerWaalsContact C-N 3.3Å; R180-R182 PolarHBondContact O-N 3.4Å
183T96.7Very high96.1Very high47 Ų4763.7 Ų63.729%0.28831%0.309SS..THydrogen-bonded Turntrans-88.3-5.1177.457.40000112.9E160 S161 L162 E163 L181 H185E160-T183 WeakPolarHBondContact O-CG2 3.49Å; E160-T183 PolarHBondContact O-OG1 2.63Å; S161-T183 VanDerWaalsContact C-OG1 3.25Å; L162-T183 PolarHBondContact N-OG1 2.82Å; L162-T183 CarbonylContact O-C 3.59Å; L162-T183 VanDerWaalsContact O-C 3.3Å; L162-T183 PolarHBondContact O-OG1 2.98Å; E163-T183 WeakPolarHBondContact CA-O 3.38Å; L181-T183 VanDerWaalsContact C-N 3.28Å; L181-T183 PolarHBondContact O-N 3.42Å; T183-H185 PolarHBondContact O-CD2 3.31Å; T183-H185 VanDerWaalsContact O-CD2 3.31Å; T183-H185 PolarHBondContact O-CE1 3.05Å; T183-H185 PolarHBondContact O-N 3.33Å; T183-H185 PolarHBondContact O-NE2 3.36Å
184L98.1Very high96Very high5 Ų560.8 Ų60.83%0.02629%0.291CS..  trans-66129.4-175.8-165.267.2000109.4L162 L165 L178 L181 F187 V204L162-L184 WeakPolarHBondContact O-CA 3.27Å; L162-L184 PolarHBondContact O-N 3.14Å; L165-L184 HydrophobicContact CB-CD1 4.03Å; L178-L184 HydrophobicContact CB-CD2 4.5Å; L178-L184 HydrophobicContact CD1-CD2 4.35Å; L181-L184 HydrophobicContact CB-CB 3.88Å; L181-L184 HydrophobicContact CB-CD2 4.18Å; L181-L184 HydrophobicContact CD1-CD2 4.09Å; L181-L184 VanDerWaalsContact O-CB 3.26Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 2.78Å; L184-F187 HydrophobicContact CD2-CB 3.97Å; L184-V204 HydrophobicContact CB-CG2 4.3Å; L184-V204 HydrophobicContact CD2-CG1 4.3Å; L184-V204 HydrophobicContact CG-CG1 4.37Å; L184-V204 WeakPolarHBondContact O-CG2 3.25Å
185H96.5Very high95.8Very high105 Ų10562.9 Ų62.949%0.48630%0.298SS..  trans-115-35177.9-59.9-47.3000111E163 T183 F205E163-H185 PolarHBondContact O-N 3.13Å; T183-H185 PolarHBondContact O-CD2 3.31Å; T183-H185 VanDerWaalsContact O-CD2 3.31Å; T183-H185 PolarHBondContact O-CE1 3.05Å; T183-H185 PolarHBondContact O-N 3.33Å; T183-H185 PolarHBondContact O-NE2 3.36Å; H185-F205 WeakPolarHBondContact O-CB 3.34Å; H185-F205 PolarHBondContact O-N 3.4Å
186L97.5Very high95.4Very high55 Ų5568.8 Ų68.829%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-130124.4-179177.664.2000110E163 I164 L165 F205 V207E163-L186 PolarHBondContact O-N 3.45Å; E163-L186 VanDerWaalsContact O-N 3.14Å; I164-L186 HydrophobicContact CG1-CB 4.2Å; I164-L186 HydrophobicContact CG2-CB 4.29Å; I164-L186 HydrophobicContact CG2-CD2 3.89Å; I164-L186 HydrophobicContact CG2-CG 4.31Å; L165-L186 PolarHBondContact N-O 3.34Å; L186-F205 HydrophobicContact CD1-CB 4.38Å; L186-F205 HydrophobicContact CD1-CD1 3.59Å; L186-F205 HydrophobicContact CD1-CE1 4.44Å; L186-F205 HydrophobicContact CD1-CG 4.47Å; L186-V207 HydrophobicContact CD1-CG2 4.2Å
187F98.1Very high95.2Very high0 Ų068.5 Ų68.50%032%0.323CS..EExtended strand (participates in β ladder)trans-127.3114.2167.7-179.6-119.9000111.2F152 L165 L167 L175 L178 L184 Y189 P198 V204 F205 L206 V207F152-F187 HydrophobicContact CE2-CZ 4.46Å; L165-F187 HydrophobicContact CB-CD2 3.96Å; L165-F187 HydrophobicContact CD2-CD2 3.79Å; L165-F187 HydrophobicContact CD2-CE2 3.66Å; L165-F187 HydrophobicContact CG-CD2 3.81Å; L165-F187 HydrophobicContact CG-CE2 3.86Å; L165-F187 WeakPolarHBondContact O-CA 3.34Å; L165-F187 WeakPolarHBondContact O-CD2 3.13Å; L167-F187 HydrophobicContact CB-CE2 4.46Å; L167-F187 HydrophobicContact CD1-CE2 3.95Å; L167-F187 HydrophobicContact CD1-CZ 4.29Å; L167-F187 HydrophobicContact CG-CE2 4.36Å; L175-F187 HydrophobicContact CD1-CE1 4.03Å; L175-F187 HydrophobicContact CD1-CZ 4.38Å; L175-F187 HydrophobicContact CD2-CZ 4.12Å; L178-F187 HydrophobicContact CD1-CD1 3.52Å; L178-F187 HydrophobicContact CD1-CD2 4.06Å; L178-F187 HydrophobicContact CD1-CE1 3.6Å; L178-F187 HydrophobicContact CD1-CE2 4.12Å; L178-F187 HydrophobicContact CD1-CG 3.77Å; L178-F187 HydrophobicContact CD1-CZ 3.89Å; L184-F187 HydrophobicContact CD2-CB 3.97Å; F187-Y189 AromaticContact CD1-CD1 3.79Å; F187-Y189 HydrophobicContact CD1-CD1 3.79Å; F187-Y189 AromaticContact CE1-CD1 3.51Å; F187-Y189 HydrophobicContact CE1-CD1 3.51Å; F187-Y189 HydrophobicContact CE1-CE1 4.49Å; F187-Y189 AromaticContact CE1-CG 3.87Å; F187-Y189 HydrophobicContact CE1-CG 3.87Å; F187-Y189 HydrophobicContact CZ-CD1 4.37Å; F187-Y189 HydrophobicContact CZ-CG 4.37Å; F187-P198 HydrophobicContact CD1-CG 4.03Å; F187-P198 HydrophobicContact CE1-CG 3.8Å; F187-V204 HydrophobicContact CB-CG1 4.19Å; F187-F205 PolarHBondContact N-O 3.27Å; F187-L206 HydrophobicContact CB-CD2 4Å; F187-L206 HydrophobicContact CD1-CD2 3.69Å; F187-L206 HydrophobicContact CG-CD2 4.34Å; F187-L206 WeakPolarHBondContact O-CA 3.15Å; F187-V207 PolarHBondContact O-N 3.36Å
188S97.8Very high95.1Very high13 Ų1366 Ų669%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-104.6126.3175173.70000109.5L165 D166 L167 V207L165-S188 PolarHBondContact O-N 2.75Å; D166-S188 VanDerWaalsContact OD1-CB 3.25Å; D166-S188 WeakPolarHBondContact OD1-CB 2.99Å; D166-S188 PolarHBondContact OD1-OG 3.4Å; L167-S188 PolarHBondContact N-O 3.37Å; S188-V207 CarbonylContact C-O 3.55Å; S188-V207 WeakPolarHBondContact CA-O 3.45Å
189Y97Very high95Very high3 Ų372.6 Ų72.61%0.01233%0.334CS..  trans-136.114.6177.868.7-86.7000112.4L175 F187 N192 V194 P197 P198 L206 V207 E209L175-Y189 HydrophobicContact CD1-CD1 4.23Å; L175-Y189 HydrophobicContact CD1-CD2 3.61Å; L175-Y189 HydrophobicContact CD1-CE2 4.19Å; L175-Y189 HydrophobicContact CD1-CG 3.65Å; F187-Y189 AromaticContact CD1-CD1 3.79Å; F187-Y189 HydrophobicContact CD1-CD1 3.79Å; F187-Y189 AromaticContact CE1-CD1 3.51Å; F187-Y189 HydrophobicContact CE1-CD1 3.51Å; F187-Y189 HydrophobicContact CE1-CE1 4.49Å; F187-Y189 AromaticContact CE1-CG 3.87Å; F187-Y189 HydrophobicContact CE1-CG 3.87Å; F187-Y189 HydrophobicContact CZ-CD1 4.37Å; F187-Y189 HydrophobicContact CZ-CG 4.37Å; Y189-N192 WeakPolarHBondContact O-CB 3.21Å; Y189-N192 PolarHBondContact O-ND2 3.15Å; Y189-V194 HydrophobicContact CD2-CB 4.38Å; Y189-V194 HydrophobicContact CD2-CG2 4.27Å; Y189-V194 HydrophobicContact CE2-CB 4.45Å; Y189-V194 HydrophobicContact CE2-CG1 4.39Å; Y189-P197 WeakPolarHBondContact OH-CB 2.77Å; Y189-P198 HydrophobicContact CE1-CG 4.37Å; Y189-L206 HydrophobicContact CE1-CD2 4.18Å; Y189-V207 WeakPolarHBondContact CD1-O 3.34Å; Y189-V207 PolarHBondContact N-O 3.17Å; Y189-E209 PolarHBondContact OH-O 3.47Å
190D95.3Very high95Very high50 Ų5066.8 Ų66.827%0.26731%0.31SS..  trans-56.8166.4-176.5-158.411.7000112.5D168 K169 N192 V207D168-D190 CarbonylContact C-O 3.6Å; D168-D190 VanDerWaalsContact CA-O 3.26Å; D168-D190 WeakPolarHBondContact CA-O 3.25Å; D168-D190 WeakPolarHBondContact OD1-CA 3.45Å; D168-D190 WeakPolarHBondContact OD1-CB 3.06Å; K169-D190 PolarHBondContact N-O 3.4Å; D190-N192 PolarHBondContact O-N 3.39Å; D190-N192 PolarHBondContact O-ND2 2.98Å; D190-V207 PolarHBondContact N-O 3.19Å
191H96.4Very high95Very high112 Ų11260.6 Ų60.652%0.51929%0.294SS..SBendtrans47.439-178.8-51.987.7000113.5D168 K169D168-H191 WeakPolarHBondContact OD1-CB 3.4Å; D168-H191 IonicContact OD1-CE1 3.95Å; D168-H191 IonicContact OD1-CG 3.5Å; D168-H191 IonicContact OD1-ND1 2.8Å; D168-H191 PolarHBondContact OD1-ND1 3.21Å; D168-H191 IonicContact OD2-ND1 3.83Å; K169-H191 WeakPolarHBondContact CA-O 3.16Å; K169-H191 HydrophobicContact CB-CB 4.27Å; K169-H191 HydrophobicContact CG-CB 3.57Å
192N96.9Very high94.6Very high6 Ų665.9 Ų65.93%0.03232%0.319CS..SBendtrans-119.4147.5167.4-78.5-92.7000108.5L167 N170 K171 I172 Y189 D190 V194L167-N192 PolarHBondContact O-ND2 3.01Å; N170-N192 WeakPolarHBondContact CA-OD1 3.29Å; N170-N192 WeakPolarHBondContact CB-OD1 3.4Å; N170-N192 PolarHBondContact N-ND2 3.5Å; N170-N192 PolarHBondContact N-OD1 3.05Å; N170-N192 PolarHBondContact O-OD1 2.87Å; K171-N192 PolarHBondContact N-OD1 3.23Å; I172-N192 HydrophobicContact CB-CB 4.39Å; I172-N192 VanDerWaalsContact CB-OD1 3.3Å; I172-N192 WeakPolarHBondContact CB-OD1 3.47Å; I172-N192 WeakPolarHBondContact CG1-OD1 3.23Å; I172-N192 PolarHBondContact N-OD1 3.09Å; Y189-N192 WeakPolarHBondContact O-CB 3.21Å; Y189-N192 PolarHBondContact O-ND2 3.15Å; D190-N192 PolarHBondContact O-N 3.39Å; D190-N192 PolarHBondContact O-ND2 2.98Å; N192-V194 HydrophobicContact CB-CG2 3.82Å; N192-V194 PolarHBondContact O-N 3.36Å
193P95.6Very high94.3Very high74 Ų7461.9 Ų61.948%0.48131%0.314SS..  trans-74.948.2177.833.9-38.3000112.8I172 T173I172-P193 CarbonylContact O-C 3.12Å; I172-P193 VanDerWaalsContact O-CD 3.24Å; I172-P193 WeakPolarHBondContact O-CD 3.42Å; T173-P193 WeakPolarHBondContact CA-O 3.18Å; T173-P193 HydrophobicContact CG2-CB 4.49Å; T173-P193 HydrophobicContact CG2-CG 3.84Å
194V94.1Very high94.2Very high11 Ų1159.8 Ų59.87%0.06730%0.301CS..  trans-83.7130.3-180176.40000109.3I172 L175 Y189 N192 E196I172-V194 HydrophobicContact CG2-CG2 4.48Å; I172-V194 VanDerWaalsContact O-CG2 3.23Å; I172-V194 WeakPolarHBondContact O-CG2 3.39Å; L175-V194 HydrophobicContact CD1-CB 4.48Å; L175-V194 HydrophobicContact CD1-CG1 3.9Å; L175-V194 HydrophobicContact CD1-CG2 3.9Å; L175-V194 HydrophobicContact CG-CG1 4.17Å; L175-V194 HydrophobicContact CG-CG2 3.9Å; Y189-V194 HydrophobicContact CD2-CB 4.38Å; Y189-V194 HydrophobicContact CD2-CG2 4.27Å; Y189-V194 HydrophobicContact CE2-CB 4.45Å; Y189-V194 HydrophobicContact CE2-CG1 4.39Å; N192-V194 HydrophobicContact CB-CG2 3.82Å; N192-V194 PolarHBondContact O-N 3.36Å; V194-E196 WeakPolarHBondContact CG1-O 3.39Å
195K89.1Confident94Very high196 Ų19665.3 Ų65.385%0.85233%0.325SS*.SBendtrans-75.4-36.3-179.2-65.3-179.5179.7175.10114.1
196E89.2Confident93.8Very high153 Ų15360.7 Ų60.772%0.71530%0.304SS*.SBendtrans-141.3144-174.6-68-177-174.100111.2V194V194-E196 WeakPolarHBondContact CG1-O 3.39Å
197P91.8Very high93.6Very high34 Ų3460.5 Ų60.522%0.22131%0.305CS..PPolyproline II helixtrans-57.1143.9173.3-2534.4000112.7Y189 G210 F214Y189-P197 WeakPolarHBondContact OH-CB 2.77Å; P197-G210 WeakPolarHBondContact CG-O 3.15Å; P197-F214 HydrophobicContact CB-CB 4.2Å; P197-F214 HydrophobicContact CB-CD2 4.3Å; P197-F214 HydrophobicContact CB-CG 4.14Å; P197-F214 HydrophobicContact CG-CB 4.04Å; P197-F214 HydrophobicContact CG-CG 4.47Å
198P94.4Very high93.2Very high5 Ų561.2 Ų61.23%0.03231%0.312CS..PPolyproline II helixtrans-74.6156.5179.332.4-36.2000112.2L175 F187 Y189 V200 L206L175-P198 HydrophobicContact CB-CB 3.83Å; L175-P198 HydrophobicContact CB-CG 4.41Å; L175-P198 HydrophobicContact CD1-CB 4.19Å; L175-P198 HydrophobicContact CD1-CG 3.86Å; F187-P198 HydrophobicContact CD1-CG 4.03Å; F187-P198 HydrophobicContact CE1-CG 3.8Å; Y189-P198 HydrophobicContact CE1-CG 4.37Å; P198-V200 HydrophobicContact CB-CG1 4.49Å; P198-V200 HydrophobicContact CG-CG1 4.09Å; P198-V200 PolarHBondContact O-N 2.97Å; P198-L206 HydrophobicContact CG-CD2 4.36Å
199K93.5Very high92.5Very high141 Ų14166.8 Ų66.861%0.61334%0.337SS*.PPolyproline II helixtrans-74.6119.2169-65.1179.1-175.4173.80110S177 L178 K179S177-K199 CarbonylContact C-O 3.37Å; L178-K199 PolarHBondContact N-O 2.96Å; K179-K199 HydrophobicContact CG-CB 4.49Å; K179-K199 PolarHBondContact N-O 3.29Å
200V94.6Very high91.8Very high12 Ų1268.1 Ų68.17%0.07335%0.351CS..  trans-123.5174.1180-60.60000112.4L178 P198 V204 L206L178-V200 HydrophobicContact CB-CG1 4.13Å; L178-V200 HydrophobicContact CD1-CG1 4.24Å; P198-V200 HydrophobicContact CB-CG1 4.49Å; P198-V200 HydrophobicContact CG-CG1 4.09Å; P198-V200 PolarHBondContact O-N 2.97Å; V200-V204 HydrophobicContact CB-CB 3.89Å; V200-V204 HydrophobicContact CB-CG1 4.04Å; V200-V204 HydrophobicContact CB-CG2 4.01Å; V200-V204 HydrophobicContact CG1-CG1 4.35Å; V200-V204 HydrophobicContact CG2-CB 3.78Å; V200-V204 HydrophobicContact CG2-CG1 4.11Å; V200-V204 HydrophobicContact CG2-CG2 4.37Å; V200-L206 HydrophobicContact CG1-CD1 4.43Å; V200-L206 HydrophobicContact CG1-CD2 3.76Å; V200-L206 HydrophobicContact CG1-CG 4.45Å; V200-L206 HydrophobicContact CG2-CD1 3.75Å; V200-L206 HydrophobicContact CG2-CD2 4.14Å; V200-L206 HydrophobicContact CG2-CG 3.93Å
201G91.9Very high91.4Very high26 Ų2665.9 Ų65.927%0.26834%0.34SS..  trans-64.2159.9170.500000112.2D203 V204G201-D203 VanDerWaalsContact C-N 3.25Å; G201-D203 PolarHBondContact O-N 3.04Å; G201-V204 PolarHBondContact O-N 3.01Å
202E87.1Confident90.6Very high115 Ų11563.8 Ų63.854%0.53734%0.342SS..THydrogen-bonded Turntrans-67.3-23.9-171.7-65.4-161.1172.400114.7R218 K222E202-R218 VanDerWaalsContact O-CZ 3.23Å; E202-R218 PolarHBondContact O-NH1 3.27Å; E202-R218 PolarHBondContact O-NH2 3.13Å; E202-K222 PolarHBondContact O-NZ 2.93Å
203D88.7Confident90.1Very high136 Ų13670.1 Ų70.173%0.72737%0.371SS*.THydrogen-bonded Turntrans-1044.4-177.2-53-42.8000112.5G201 F205G201-D203 VanDerWaalsContact C-N 3.25Å; G201-D203 PolarHBondContact O-N 3.04Å; D203-F205 PolarHBondContact O-N 3.3Å
204V94.6Very high89.6Confident4 Ų469.7 Ų69.72%0.02436%0.362CS..  trans-75.1127.7176.5-176.80000108.8L184 F187 V200 G201 L206 R218L184-V204 HydrophobicContact CB-CG2 4.3Å; L184-V204 HydrophobicContact CD2-CG1 4.3Å; L184-V204 HydrophobicContact CG-CG1 4.37Å; L184-V204 WeakPolarHBondContact O-CG2 3.25Å; F187-V204 HydrophobicContact CB-CG1 4.19Å; V200-V204 HydrophobicContact CB-CB 3.89Å; V200-V204 HydrophobicContact CB-CG1 4.04Å; V200-V204 HydrophobicContact CB-CG2 4.01Å; V200-V204 HydrophobicContact CG1-CG1 4.35Å; V200-V204 HydrophobicContact CG2-CB 3.78Å; V200-V204 HydrophobicContact CG2-CG1 4.11Å; V200-V204 HydrophobicContact CG2-CG2 4.37Å; G201-V204 PolarHBondContact O-N 3.01Å; V204-L206 HydrophobicContact CG1-CD2 4.36Å; V204-R218 PolarHBondContact O-NH1 2.97Å
205F93.3Very high89.1Confident120 Ų12070.1 Ų70.153%0.52636%0.364SS..EExtended strand (participates in β ladder)trans-84.1123.9166.6-170.5-103.3000109.7H185 L186 F187 D203 V207 M215H185-F205 WeakPolarHBondContact O-CB 3.34Å; H185-F205 PolarHBondContact O-N 3.4Å; L186-F205 HydrophobicContact CD1-CB 4.38Å; L186-F205 HydrophobicContact CD1-CD1 3.59Å; L186-F205 HydrophobicContact CD1-CE1 4.44Å; L186-F205 HydrophobicContact CD1-CG 4.47Å; F187-F205 PolarHBondContact N-O 3.27Å; D203-F205 PolarHBondContact O-N 3.3Å; F205-V207 HydrophobicContact CD1-CG2 3.79Å; F205-V207 HydrophobicContact CE1-CG2 3.41Å; F205-V207 VanDerWaalsContact CE1-CG2 3.41Å; F205-V207 HydrophobicContact CZ-CG2 4.43Å; F205-M215 HydrophobicContact CD2-CE 4.21Å
206L93.9Very high89Confident8 Ų867 Ų674%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-104.6135-179.9-73.4177.8000110.7F187 Y189 P198 V200 V204 A211 F214 M215F187-L206 HydrophobicContact CB-CD2 4Å; F187-L206 HydrophobicContact CD1-CD2 3.69Å; F187-L206 HydrophobicContact CG-CD2 4.34Å; F187-L206 WeakPolarHBondContact O-CA 3.15Å; Y189-L206 HydrophobicContact CE1-CD2 4.18Å; P198-L206 HydrophobicContact CG-CD2 4.36Å; V200-L206 HydrophobicContact CG1-CD1 4.43Å; V200-L206 HydrophobicContact CG1-CD2 3.76Å; V200-L206 HydrophobicContact CG1-CG 4.45Å; V200-L206 HydrophobicContact CG2-CD1 3.75Å; V200-L206 HydrophobicContact CG2-CD2 4.14Å; V200-L206 HydrophobicContact CG2-CG 3.93Å; V204-L206 HydrophobicContact CG1-CD2 4.36Å; L206-A211 HydrophobicContact CB-CB 3.86Å; L206-F214 HydrophobicContact CD1-CD1 3.75Å; L206-F214 HydrophobicContact CD1-CE1 3.8Å; L206-M215 HydrophobicContact CB-SD 4.34Å
207V92.8Very high88.8Confident52 Ų5265.5 Ų65.532%0.31535%0.348SS..EExtended strand (participates in β ladder)trans-124.2118.4170.2-175.80000108.1L186 F187 S188 Y189 D190 F205L186-V207 HydrophobicContact CD1-CG2 4.2Å; F187-V207 PolarHBondContact O-N 3.36Å; S188-V207 CarbonylContact C-O 3.55Å; S188-V207 WeakPolarHBondContact CA-O 3.45Å; Y189-V207 WeakPolarHBondContact CD1-O 3.34Å; Y189-V207 PolarHBondContact N-O 3.17Å; D190-V207 PolarHBondContact N-O 3.19Å; F205-V207 HydrophobicContact CD1-CG2 3.79Å; F205-V207 HydrophobicContact CE1-CG2 3.41Å; F205-V207 VanDerWaalsContact CE1-CG2 3.41Å; F205-V207 HydrophobicContact CZ-CG2 4.43Å
208G89.6Confident88.6Confident14 Ų1466 Ų6614%0.14435%0.345CS..SBendtrans163173179.400000113.7G210 A211G208-G210 PolarHBondContact O-N 3.36Å; G208-A211 WeakPolarHBondContact O-CB 3.47Å; G208-A211 PolarHBondContact O-N 2.7Å
209E83.4Confident88.2Confident131 Ų13171.3 Ų71.361%0.61237%0.37SS*.THydrogen-bonded Turntrans-56.2129.3175.7-165.8172-179.200110.7Y189 A211Y189-E209 PolarHBondContact OH-O 3.47Å; E209-A211 PolarHBondContact O-N 3.46Å
210G82.1Confident88Confident30 Ų3066.8 Ų66.831%0.30936%0.358SS..THydrogen-bonded Turntrans73.1-2.8-174.600000115.8P197 G208 F214P197-G210 WeakPolarHBondContact CG-O 3.15Å; G208-G210 PolarHBondContact O-N 3.36Å; G210-F214 WeakPolarHBondContact O-CB 3.46Å; G210-F214 PolarHBondContact O-N 3.41Å; G210-F214 VanDerWaalsContact O-N 3.14Å
211A85.7Confident87.7Confident3 Ų373.6 Ų73.63%0.02538%0.383CS..Hα-helixtrans-66.1-41-177.500000112.4L206 G208 E209 F214 M215L206-A211 HydrophobicContact CB-CB 3.86Å; G208-A211 WeakPolarHBondContact O-CB 3.47Å; G208-A211 PolarHBondContact O-N 2.7Å; E209-A211 PolarHBondContact O-N 3.46Å; A211-F214 PolarHBondContact O-N 2.85Å; A211-M215 WeakPolarHBondContact O-CB 3.33Å; A211-M215 WeakPolarHBondContact O-CG 3.49Å; A211-M215 PolarHBondContact O-N 3.14Å
212A80.7Confident87.4Confident68 Ų6875.8 Ų75.856%0.56239%0.385SS*.Hα-helixtrans-59.2-53.4-179.600000111.7F214 M215 E216A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.11Å; A212-M215 PolarHBondContact O-N 2.81Å; A212-M215 VanDerWaalsContact O-N 3.13Å; A212-E216 WeakPolarHBondContact O-CG 3.43Å; A212-E216 PolarHBondContact O-N 2.89Å
213E86.1Confident87.6Confident139 Ų13973.3 Ų73.365%0.6537%0.373SS*.Hα-helixtrans-59.4-42.5177.7-63177.4-176.800111.9M215 E216 I217E213-M215 VanDerWaalsContact C-N 3.32Å; E213-M215 PolarHBondContact O-N 3.38Å; E213-E216 PolarHBondContact O-N 3.33Å; E213-I217 VanDerWaalsContact O-CG1 3.27Å; E213-I217 WeakPolarHBondContact O-CG1 3.26Å; E213-I217 PolarHBondContact O-N 3.04Å
214F85.3Confident87.7Confident65 Ų6576 Ų7629%0.28537%0.373SS..Hα-helixtrans-61-41.3176.5176.3-93.1000112.3P197 L206 G210 A211 A212 R218P197-F214 HydrophobicContact CB-CB 4.2Å; P197-F214 HydrophobicContact CB-CD2 4.3Å; P197-F214 HydrophobicContact CB-CG 4.14Å; P197-F214 HydrophobicContact CG-CB 4.04Å; P197-F214 HydrophobicContact CG-CG 4.47Å; L206-F214 HydrophobicContact CD1-CD1 3.75Å; L206-F214 HydrophobicContact CD1-CE1 3.8Å; G210-F214 WeakPolarHBondContact O-CB 3.46Å; G210-F214 PolarHBondContact O-N 3.41Å; G210-F214 VanDerWaalsContact O-N 3.14Å; A211-F214 PolarHBondContact O-N 2.85Å; A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.11Å; F214-R218 VanDerWaalsContact O-CB 3.32Å; F214-R218 WeakPolarHBondContact O-CB 3.49Å; F214-R218 PolarHBondContact O-N 3.24Å
215M84.4Confident87.5Confident21 Ų2181.9 Ų81.910%0.10340%0.395CS..Hα-helixtrans-69.7-40.8180-66.6-73.8-74.600111.2F205 L206 A211 A212 E213 R218 E219F205-M215 HydrophobicContact CD2-CE 4.21Å; L206-M215 HydrophobicContact CB-SD 4.34Å; A211-M215 WeakPolarHBondContact O-CB 3.33Å; A211-M215 WeakPolarHBondContact O-CG 3.49Å; A211-M215 PolarHBondContact O-N 3.14Å; A212-M215 PolarHBondContact O-N 2.81Å; A212-M215 VanDerWaalsContact O-N 3.13Å; E213-M215 VanDerWaalsContact C-N 3.32Å; E213-M215 PolarHBondContact O-N 3.38Å; M215-R218 WeakPolarHBondContact O-CB 3.32Å; M215-R218 PolarHBondContact O-N 2.78Å; M215-R218 PolarHBondContact SD-NH2 3.24Å; M215-E219 WeakPolarHBondContact O-CG 3.48Å; M215-E219 PolarHBondContact O-N 3.28Å
216E85.7Confident87.3Confident130 Ų13082.5 Ų82.561%0.60739%0.394SS*.Hα-helixtrans-61.6-46.9173.8-72.8178-172.600112.1A212 E213 R218 E219 A220A212-E216 WeakPolarHBondContact O-CG 3.43Å; A212-E216 PolarHBondContact O-N 2.89Å; E213-E216 PolarHBondContact O-N 3.33Å; E216-R218 VanDerWaalsContact C-N 3.25Å; E216-R218 PolarHBondContact O-N 3.13Å; E216-E219 PolarHBondContact O-N 2.94Å; E216-A220 WeakPolarHBondContact O-CB 3.41Å; E216-A220 PolarHBondContact O-N 3.11Å
217I85.7Confident87.2Confident121 Ų12187.3 Ų87.362%0.62141%0.414SS*.Hα-helixtrans-59.3-40.8175.6-69.4166.6000110.6E213 R221E213-I217 VanDerWaalsContact O-CG1 3.27Å; E213-I217 WeakPolarHBondContact O-CG1 3.26Å; E213-I217 PolarHBondContact O-N 3.04Å; I217-R221 WeakPolarHBondContact O-CB 3.33Å; I217-R221 PolarHBondContact O-N 2.93Å
218R86.6Confident87.1Confident46 Ų4687.2 Ų87.217%0.17442%0.419CS..Hα-helixtrans-64.4-46178.1-174.7-178.575.9168.510.2111.4E202 V204 F214 M215 E216 R221 K222E202-R218 VanDerWaalsContact O-CZ 3.23Å; E202-R218 PolarHBondContact O-NH1 3.27Å; E202-R218 PolarHBondContact O-NH2 3.13Å; V204-R218 PolarHBondContact O-NH1 2.97Å; F214-R218 VanDerWaalsContact O-CB 3.32Å; F214-R218 WeakPolarHBondContact O-CB 3.49Å; F214-R218 PolarHBondContact O-N 3.24Å; M215-R218 WeakPolarHBondContact O-CB 3.32Å; M215-R218 PolarHBondContact O-N 2.78Å; M215-R218 PolarHBondContact SD-NH2 3.24Å; E216-R218 VanDerWaalsContact C-N 3.25Å; E216-R218 PolarHBondContact O-N 3.13Å; R218-R221 PolarHBondContact O-N 3.32Å; R218-K222 WeakPolarHBondContact O-CG 3.32Å; R218-K222 PolarHBondContact O-N 3.07Å
219E86.7Confident87.2Confident116 Ų11689.1 Ų89.154%0.54243%0.433SS..Hα-helixtrans-63.2-45.6177.6-75.1177.3-17600111.6M215 E216 R221 K222 E223M215-E219 WeakPolarHBondContact O-CG 3.48Å; M215-E219 PolarHBondContact O-N 3.28Å; E216-E219 PolarHBondContact O-N 2.94Å; E219-R221 VanDerWaalsContact C-N 3.26Å; E219-R221 PolarHBondContact O-N 3.09Å; E219-K222 PolarHBondContact O-N 3.2Å; E219-K222 VanDerWaalsContact O-N 3.09Å; E219-E223 PolarHBondContact O-N 2.97Å
220A88.5Confident87.6Confident46 Ų4687.5 Ų87.538%0.3843%0.426SS..Hα-helixtrans-58.9-37.8175.100000112.3E216 R224E216-A220 WeakPolarHBondContact O-CB 3.41Å; E216-A220 PolarHBondContact O-N 3.11Å; A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.41Å
221R88.3Confident88.1Confident154 Ų15492.2 Ų92.258%0.58144%0.44SS*.Hα-helixtrans-69.1-39.8175.1-172.3179.8-176.5178.94.6112.3I217 R218 E219 R225I217-R221 WeakPolarHBondContact O-CB 3.33Å; I217-R221 PolarHBondContact O-N 2.93Å; R218-R221 PolarHBondContact O-N 3.32Å; E219-R221 VanDerWaalsContact C-N 3.26Å; E219-R221 PolarHBondContact O-N 3.09Å; R221-R225 VanDerWaalsContact NH2-NH2 3.18Å; R221-R225 WeakPolarHBondContact O-CG 3.43Å; R221-R225 PolarHBondContact O-N 3.25Å; R221-R225 VanDerWaalsContact O-N 3.12Å
222K87.4Confident88.4Confident72 Ų7298 Ų9831%0.31347%0.466SS..Hα-helixtrans-62.7-44.6175-74.8-173-178.4-174.30110.4E202 R218 E219 R224 R225 R226E202-K222 PolarHBondContact O-NZ 2.93Å; R218-K222 WeakPolarHBondContact O-CG 3.32Å; R218-K222 PolarHBondContact O-N 3.07Å; E219-K222 PolarHBondContact O-N 3.2Å; E219-K222 VanDerWaalsContact O-N 3.09Å; K222-R224 PolarHBondContact O-N 2.9Å; K222-R225 PolarHBondContact O-N 2.85Å; K222-R226 PolarHBondContact O-N 3.25Å
223E89.9Confident88.8Confident64 Ų6497.4 Ų97.430%0.29946%0.462SS..Hα-helixtrans-60.2-47.7177.6-174.859.2-14800112.1E219 R225 R226 K227E219-E223 PolarHBondContact O-N 2.97Å; E223-R225 VanDerWaalsContact C-N 3.29Å; E223-R225 PolarHBondContact O-N 3.12Å; E223-R226 PolarHBondContact O-N 3.33Å; E223-R226 IonicContact OE1-CZ 3.18Å; E223-R226 IonicContact OE1-NE 3.83Å; E223-R226 IonicContact OE1-NH2 2.72Å; E223-R226 PolarHBondContact OE1-NH2 3.47Å; E223-R226 IonicContact OE2-CZ 3.71Å; E223-R226 IonicContact OE2-NE 3.58Å; E223-R226 IonicContact OE2-NH1 3.84Å; E223-R226 IonicContact OE2-NH2 2.66Å; E223-R226 PolarHBondContact OE2-NH2 2.91Å; E223-K227 WeakPolarHBondContact O-CG 3.16Å; E223-K227 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact OE1-CE 3.43Å
224R91.3Very high89Confident191 Ų19197.6 Ų97.672%0.72146%0.463SS*.Hα-helixtrans-59.8-39.6176.7-73.4176.6-171.9-1763.4112.6A220 K222 A228A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.41Å; K222-R224 PolarHBondContact O-N 2.9Å; R224-A228 WeakPolarHBondContact O-CB 3.36Å; R224-A228 PolarHBondContact O-N 3.46Å
225R89.5Confident89.1Confident129 Ų129101.2 Ų101.249%0.48748%0.48SS..Hα-helixtrans-67.9-39.9176.9-76172.3167.8-174.4-7.7112.2R221 K222 E223 A228 A229R221-R225 VanDerWaalsContact NH2-NH2 3.18Å; R221-R225 WeakPolarHBondContact O-CG 3.43Å; R221-R225 PolarHBondContact O-N 3.25Å; R221-R225 VanDerWaalsContact O-N 3.12Å; K222-R225 PolarHBondContact O-N 2.85Å; E223-R225 VanDerWaalsContact C-N 3.29Å; E223-R225 PolarHBondContact O-N 3.12Å; R225-A228 PolarHBondContact O-N 3.03Å; R225-A229 WeakPolarHBondContact O-CB 3.37Å; R225-A229 PolarHBondContact O-N 3.12Å
226R90.1Very high89.3Confident133 Ų133105.3 Ų105.350%0.50250%0.502SS..Hα-helixtrans-60.8-50175.8-174-179.670.1-159-3.1110.4K222 E223 A228 A229 E230K222-R226 PolarHBondContact O-N 3.25Å; E223-R226 PolarHBondContact O-N 3.33Å; E223-R226 IonicContact OE1-CZ 3.18Å; E223-R226 IonicContact OE1-NE 3.83Å; E223-R226 IonicContact OE1-NH2 2.72Å; E223-R226 PolarHBondContact OE1-NH2 3.47Å; E223-R226 IonicContact OE2-CZ 3.71Å; E223-R226 IonicContact OE2-NE 3.58Å; E223-R226 IonicContact OE2-NH1 3.84Å; E223-R226 IonicContact OE2-NH2 2.66Å; E223-R226 PolarHBondContact OE2-NH2 2.91Å; R226-A228 PolarHBondContact O-N 2.9Å; R226-A229 PolarHBondContact O-N 3.01Å; R226-E230 HydrophobicContact CG-CG 4.46Å; R226-E230 WeakPolarHBondContact CG-OE1 3.41Å; R226-E230 IonicContact NE-OE1 2.85Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 2.89Å
227K91.8Very high89.1Confident108 Ų108102.4 Ų102.447%0.4750%0.5SS..Hα-helixtrans-58.1-46177.1-69.7-176.5178.1-171.20112.7E223 A229 E230 E231E223-K227 WeakPolarHBondContact O-CG 3.16Å; E223-K227 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact OE1-CE 3.43Å; K227-A229 VanDerWaalsContact C-N 3.33Å; K227-A229 PolarHBondContact O-N 3.19Å; K227-E230 PolarHBondContact O-N 2.99Å; K227-E231 WeakPolarHBondContact O-CG 3.34Å; K227-E231 PolarHBondContact O-N 3.43Å
228A91.6Very high88.8Confident50 Ų50100.8 Ų100.841%0.41351%0.505SS..Hα-helixtrans-62.7-38.4177.700000112.8R224 R225 R226 E232R224-A228 WeakPolarHBondContact O-CB 3.36Å; R224-A228 PolarHBondContact O-N 3.46Å; R225-A228 PolarHBondContact O-N 3.03Å; R226-A228 PolarHBondContact O-N 2.9Å; A228-E232 WeakPolarHBondContact O-CB 3.35Å; A228-E232 PolarHBondContact O-N 3.41Å
229A90.7Very high88.4Confident54 Ų54103.3 Ų103.345%0.44653%0.525SS..Hα-helixtrans-71.2-34.2176.700000112.6R225 R226 K227 A233R225-A229 WeakPolarHBondContact O-CB 3.37Å; R225-A229 PolarHBondContact O-N 3.12Å; R226-A229 PolarHBondContact O-N 3.01Å; K227-A229 VanDerWaalsContact C-N 3.33Å; K227-A229 PolarHBondContact O-N 3.19Å; A229-A233 VanDerWaalsContact O-CB 3.29Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.29Å
230E92Very high87.2Confident98 Ų98102.3 Ų102.346%0.45853%0.528SS..Hα-helixtrans-65.1-47.5172.3-73.4167179.100110.7R226 K227 E232 A233 E234R226-E230 HydrophobicContact CG-CG 4.46Å; R226-E230 WeakPolarHBondContact CG-OE1 3.41Å; R226-E230 IonicContact NE-OE1 2.85Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 2.89Å; K227-E230 PolarHBondContact O-N 2.99Å; E230-E232 PolarHBondContact O-N 3.38Å; E230-A233 PolarHBondContact O-N 2.8Å; E230-E234 WeakPolarHBondContact O-CG 3.29Å; E230-E234 PolarHBondContact O-N 3.34Å
231E91.9Very high85.8Confident128 Ų128105.7 Ų105.760%0.59855%0.545SS*.Hα-helixtrans-59-45.5175.6-73170.4-172.200112K227 A233 E234 E235K227-E231 WeakPolarHBondContact O-CG 3.34Å; K227-E231 PolarHBondContact O-N 3.43Å; E231-A233 PolarHBondContact O-N 3.02Å; E231-E234 PolarHBondContact O-N 3Å; E231-E235 PolarHBondContact O-N 3.49Å
232E92.3Very high84.3Confident124 Ų124105.1 Ų105.158%0.57956%0.559SS**Hα-helixtrans-63.3-40.8177.1-174.3179.4178.400111.9A228 E230 E235 L236A228-E232 WeakPolarHBondContact O-CB 3.35Å; A228-E232 PolarHBondContact O-N 3.41Å; E230-E232 PolarHBondContact O-N 3.38Å; E232-E235 PolarHBondContact O-N 3.02Å; E232-L236 HydrophobicContact CG-CD1 4.11Å; E232-L236 WeakPolarHBondContact O-CB 3.43Å; E232-L236 WeakPolarHBondContact O-CD1 3.43Å; E232-L236 WeakPolarHBondContact O-CG 3.38Å; E232-L236 PolarHBondContact O-N 3.4Å
233A88.8Confident82.7Confident56 Ų56107 Ų10746%0.46358%0.581SS.*Hα-helixtrans-66.5-38177.100000112.4A229 E230 E231 A237A229-A233 VanDerWaalsContact O-CB 3.29Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.29Å; E230-A233 PolarHBondContact O-N 2.8Å; E231-A233 PolarHBondContact O-N 3.02Å; A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 2.94Å
234E90.2Very high80.7Confident144 Ų144108.7 Ų108.767%0.67360%0.6SS**Hα-helixtrans-64.7-42.9174.3-74.8-178.3-178.700111.8E230 E231 A237 A238E230-E234 WeakPolarHBondContact O-CG 3.29Å; E230-E234 PolarHBondContact O-N 3.34Å; E231-E234 PolarHBondContact O-N 3Å; E234-A237 PolarHBondContact O-N 2.98Å; E234-A238 WeakPolarHBondContact O-CB 3.39Å; E234-A238 PolarHBondContact O-N 3.43Å
235E88.4Confident78.9Confident141 Ų141108.1 Ų108.166%0.65961%0.61SS**Hα-helixtrans-64.8-40.9177.5-169.1174.9-173.900112.1E231 E232 A238 T239E231-E235 PolarHBondContact O-N 3.49Å; E232-E235 PolarHBondContact O-N 3.02Å; E235-A238 PolarHBondContact O-N 3.38Å; E235-T239 WeakPolarHBondContact O-CG2 3.47Å; E235-T239 PolarHBondContact O-N 3.38Å; E235-T239 VanDerWaalsContact O-N 3.15Å; E235-T239 PolarHBondContact O-OG1 2.78Å
236L87.2Confident76.9Confident107 Ų107106.6 Ų106.656%0.5662%0.619SS**Hα-helixtrans-63.1-41.1173.4-79.2159.6000112.2E232 T239 T240E232-L236 HydrophobicContact CG-CD1 4.11Å; E232-L236 WeakPolarHBondContact O-CB 3.43Å; E232-L236 WeakPolarHBondContact O-CD1 3.43Å; E232-L236 WeakPolarHBondContact O-CG 3.38Å; E232-L236 PolarHBondContact O-N 3.4Å; L236-T239 WeakPolarHBondContact CA-OG1 3.38Å; L236-T239 PolarHBondContact O-N 2.93Å; L236-T239 PolarHBondContact O-OG1 3.15Å; L236-T239 VanDerWaalsContact O-OG1 3.11Å; L236-T240 PolarHBondContact O-N 3.29Å; L236-T240 PolarHBondContact O-OG1 2.85Å
237A82.7Confident75.2Confident68 Ų68105.9 Ų105.956%0.56263%0.63SS**Hα-helixtrans-67.9-36.917700000112.3A233 E234 T239 T240A233-A237 WeakPolarHBondContact O-CB 3.48Å; A233-A237 PolarHBondContact O-N 2.94Å; E234-A237 PolarHBondContact O-N 2.98Å; A237-T239 VanDerWaalsContact C-N 3.28Å; A237-T239 PolarHBondContact O-N 3.37Å; A237-T240 PolarHBondContact O-OG1 3.02Å
238A79.5Confident73Confident87 Ų87105.9 Ų105.972%0.71965%0.65SS**Hα-helixtrans-69.7-24.117700000113.3E234 E235E234-A238 WeakPolarHBondContact O-CB 3.39Å; E234-A238 PolarHBondContact O-N 3.43Å; E235-A238 PolarHBondContact O-N 3.38Å
239T78.2Confident70.9Confident99 Ų99111.6 Ų111.661%0.60767%0.668SS**Hα-helixtrans-97.2-3.5-178.451.10000113.8E235 L236 A237 P241E235-T239 WeakPolarHBondContact O-CG2 3.47Å; E235-T239 PolarHBondContact O-N 3.38Å; E235-T239 VanDerWaalsContact O-N 3.15Å; E235-T239 PolarHBondContact O-OG1 2.78Å; L236-T239 WeakPolarHBondContact CA-OG1 3.38Å; L236-T239 PolarHBondContact O-N 2.93Å; L236-T239 PolarHBondContact O-OG1 3.15Å; L236-T239 VanDerWaalsContact O-OG1 3.11Å; A237-T239 VanDerWaalsContact C-N 3.28Å; A237-T239 PolarHBondContact O-N 3.37Å; T239-P241 WeakPolarHBondContact O-CD 3.4Å
240T61.8Low68.9Low96 Ų96123.2 Ų123.259%0.58970%0.702SS**SBendtrans-78.7117.3176.8-21.10000110.5L236 A237 V242L236-T240 PolarHBondContact O-N 3.29Å; L236-T240 PolarHBondContact O-OG1 2.85Å; A237-T240 PolarHBondContact O-OG1 3.02Å; T240-V242 PolarHBondContact O-N 3.11Å
241P57.6Low67.7Low116 Ų116124.5 Ų124.575%0.75371%0.714SS**  trans-69.9130.2-179.6-11.826.5000110.3T239 S243T239-P241 WeakPolarHBondContact O-CD 3.4Å; P241-S243 VanDerWaalsContact C-N 3.35Å; P241-S243 PolarHBondContact O-N 3.23Å
242V57.6Low66.5Low142 Ų142124.3 Ų124.386%0.86172%0.72SS**  trans-64.895.6166.1-177.30000107.2T240 S244T240-V242 PolarHBondContact O-N 3.11Å; V242-S244 PolarHBondContact O-N 3.35Å
243S53Low65Low113 Ų113124.3 Ų124.379%0.7973%0.728SS**  trans-66.3104.9168.573.10000107.1P241 L245P241-S243 VanDerWaalsContact C-N 3.35Å; P241-S243 PolarHBondContact O-N 3.23Å; S243-L245 PolarHBondContact O-N 2.95Å
244S48.5Very low63.6Low98 Ų98128.4 Ų128.469%0.68574%0.744SS**  trans-47.9123179.7490000112.7V242 S246V242-S244 PolarHBondContact O-N 3.35Å; S244-S246 PolarHBondContact O-N 2.91Å
245L54.2Low62Low180 Ų180127.4 Ų127.494%0.94275%0.748SS**  trans-50.9114.7142.2-84.2145.9000108.2S243S243-L245 PolarHBondContact O-N 2.95Å
246S47.8Very low60.2Low96 Ų96126.5 Ų126.567%0.67175%0.754SS**  trans-142.494.7157.5174.50000108.7S244S244-S246 PolarHBondContact O-N 2.91Å
247T52.9Low58.3Low119 Ų119127.9 Ų127.973%0.7377%0.768SS**  trans6.4126135.135.80000117.2
248A45.6Very low56.4Low107 Ų107132.5 Ų132.588%0.88478%0.784SS**  trans-129.4104.8141.300000108.4
249H47.1Very low54.5Low170 Ų170136.3 Ų136.379%0.78779%0.789SS**  trans-83.6155.1161.2-103.4-43000109.1
250Y49.7Very low52.3Low299 Ų299139.6 Ų139.6100%1.17381%0.806SS**  trans82.10177.6-66.9-81.4000117.5

Retrieved 250 of 250 residues in 116.2 ms (Link to these results)

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