A0A096MGS8_POEFO Loading...

Suppressor of cancer cell invasion

AlphaFold DB , UniProt , Accession A0A096MGS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 194 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
1M53.8Low87.8Confident220 Ų22089.8 Ų89.8100%1.08447%0.471SS*.  0116.90-164.3179.2-111.100106.6C3M1-C3 PolarHBondContact O-N 2.87Å
2H74.1Confident88.5Confident203 Ų20393.4 Ų93.494%0.9448%0.48SS*.  trans-84.8106.4176.6-64.7-77.1000107.8
3C83.4Confident89Confident67 Ų6786.4 Ų86.445%0.45344%0.444SS..  trans-103.2145.4176.9-61.20000109.1M1 H5M1-C3 PolarHBondContact O-N 2.87Å; C3-H5 PolarHBondContact O-N 3.31Å; C3-H5 VanDerWaalsContact O-N 3.16Å
4L90.7Very high89.5Confident109 Ų10990.2 Ų90.257%0.57145%0.45SS*.  trans-63.1114.3169.5-172.670.4000108.7D8 L9 Y29L4-D8 HydrophobicContact CD1-CB 3.86Å; L4-L9 HydrophobicContact CD2-CD1 4.39Å; L4-L9 HydrophobicContact CD2-CD2 4.19Å; L4-L9 HydrophobicContact CD2-CG 4.42Å; L4-Y29 PolarHBondContact O-OH 3.25Å
5H92.4Very high90Very high113 Ų11394.3 Ų94.352%0.52346%0.464SS..  trans-89.6147.9-179.7-173.8-96.9000109.8C3 G7 D8C3-H5 PolarHBondContact O-N 3.31Å; C3-H5 VanDerWaalsContact O-N 3.16Å; H5-G7 PolarHBondContact ND1-N 3.17Å; H5-G7 PolarHBondContact O-N 2.86Å; H5-G7 VanDerWaalsContact O-N 3.07Å; H5-D8 WeakPolarHBondContact CB-OD2 3.41Å; H5-D8 PolarHBondContact N-OD2 3.44Å; H5-D8 VanDerWaalsContact O-CB 3.29Å; H5-D8 WeakPolarHBondContact O-CB 3.44Å; H5-D8 PolarHBondContact O-N 3.39Å
6P94.7Very high90.5Very high7 Ų792.7 Ų92.75%0.04546%0.463CS..G310 helixtrans-52.1-34.8175.9-23.728000113.3D8 L9 A28 Y29 F32P6-D8 PolarHBondContact O-N 2.76Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.32Å; P6-A28 HydrophobicContact CG-CB 4.42Å; P6-A28 VanDerWaalsContact CG-O 3.31Å; P6-A28 WeakPolarHBondContact CG-O 3.42Å; P6-Y29 HydrophobicContact CB-CD1 3.99Å; P6-Y29 HydrophobicContact CB-CE1 4.03Å; P6-Y29 HydrophobicContact CB-CG 4.44Å; P6-Y29 HydrophobicContact CG-CD1 3.75Å; P6-Y29 HydrophobicContact CG-CD2 3.88Å; P6-Y29 HydrophobicContact CG-CE1 3.89Å; P6-Y29 HydrophobicContact CG-CE2 3.99Å; P6-Y29 HydrophobicContact CG-CG 3.74Å; P6-F32 HydrophobicContact CB-CD1 4.03Å; P6-F32 HydrophobicContact CB-CD2 3.93Å; P6-F32 HydrophobicContact CB-CE1 4.22Å; P6-F32 HydrophobicContact CB-CE2 4.11Å; P6-F32 HydrophobicContact CB-CG 3.9Å; P6-F32 HydrophobicContact CB-CZ 4.27Å; P6-F32 VanDerWaalsContact O-CE2 3.27Å; P6-F32 WeakPolarHBondContact O-CE2 3.48Å; P6-F32 WeakPolarHBondContact O-CZ 3.47Å
7G94.4Very high90.9Very high21 Ų2189.5 Ų89.522%0.21645%0.447CS..G310 helixtrans-62.2-27.4176.900000114.5H5 L9 F10H5-G7 PolarHBondContact ND1-N 3.17Å; H5-G7 PolarHBondContact O-N 2.86Å; H5-G7 VanDerWaalsContact O-N 3.07Å; G7-L9 PolarHBondContact O-N 3.25Å; G7-F10 VanDerWaalsContact O-CD2 3.24Å; G7-F10 WeakPolarHBondContact O-CD2 3.38Å; G7-F10 PolarHBondContact O-N 3.47Å
8D94.8Very high91.3Very high89 Ų8986.4 Ų86.448%0.47643%0.431SS..G310 helixtrans-69.5-20.3175.4-55.9-37.6000111.4L4 H5 P6L4-D8 HydrophobicContact CD1-CB 3.86Å; H5-D8 WeakPolarHBondContact CB-OD2 3.41Å; H5-D8 PolarHBondContact N-OD2 3.44Å; H5-D8 VanDerWaalsContact O-CB 3.29Å; H5-D8 WeakPolarHBondContact O-CB 3.44Å; H5-D8 PolarHBondContact O-N 3.39Å; P6-D8 PolarHBondContact O-N 2.76Å
9L96Very high91.6Very high26 Ų2683.3 Ų83.314%0.13642%0.416CS..G310 helixtrans-94.4-5-179.9-63.4-175.7000113.8L4 P6 G7 P11 F12 T13 I19 Y29 F32L4-L9 HydrophobicContact CD2-CD1 4.39Å; L4-L9 HydrophobicContact CD2-CD2 4.19Å; L4-L9 HydrophobicContact CD2-CG 4.42Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.32Å; G7-L9 PolarHBondContact O-N 3.25Å; L9-P11 VanDerWaalsContact C-N 3.26Å; L9-P11 VanDerWaalsContact O-N 3.17Å; L9-F12 HydrophobicContact CD2-CD2 4.01Å; L9-F12 HydrophobicContact CD2-CE2 4.34Å; L9-F12 WeakPolarHBondContact O-CB 3.48Å; L9-F12 PolarHBondContact O-N 2.86Å; L9-T13 PolarHBondContact O-N 3.48Å; L9-I19 HydrophobicContact CD1-CD1 3.53Å; L9-Y29 HydrophobicContact CD1-CE1 3.92Å; L9-F32 HydrophobicContact CB-CE1 4.21Å; L9-F32 HydrophobicContact CB-CZ 3.74Å; L9-F32 HydrophobicContact CD1-CE1 4.43Å
10F95.6Very high91.9Very high61 Ų6182.4 Ų82.427%0.26841%0.412SS..THydrogen-bonded Turntrans-51.4-39177.4-74.9-41.1000113.7G7 F12 T13 F32 S33 L35 F36G7-F10 VanDerWaalsContact O-CD2 3.24Å; G7-F10 WeakPolarHBondContact O-CD2 3.38Å; G7-F10 PolarHBondContact O-N 3.47Å; F10-F12 PolarHBondContact O-N 3.25Å; F10-F12 VanDerWaalsContact O-N 3.16Å; F10-T13 PolarHBondContact O-N 3.45Å; F10-T13 PolarHBondContact O-OG1 2.93Å; F10-F32 HydrophobicContact CD1-CD2 4.41Å; F10-F32 AromaticContact CD1-CE2 3.65Å; F10-F32 HydrophobicContact CD1-CE2 3.65Å; F10-F32 AromaticContact CE1-CD2 3.91Å; F10-F32 HydrophobicContact CE1-CD2 3.91Å; F10-F32 AromaticContact CE1-CE2 3.58Å; F10-F32 HydrophobicContact CE1-CE2 3.58Å; F10-S33 WeakPolarHBondContact CE1-O 3.44Å; F10-L35 HydrophobicContact CB-CD1 4.45Å; F10-L35 HydrophobicContact CD1-CD1 3.57Å; F10-L35 HydrophobicContact CD1-CG 4.01Å; F10-L35 HydrophobicContact CD2-CD1 3.97Å; F10-L35 HydrophobicContact CE1-CD1 3.68Å; F10-L35 HydrophobicContact CE1-CG 3.88Å; F10-L35 HydrophobicContact CE2-CD1 4.05Å; F10-L35 HydrophobicContact CG-CD1 3.76Å; F10-L35 HydrophobicContact CZ-CD1 3.93Å; F10-L35 HydrophobicContact CZ-CG 4.38Å; F10-F36 VanDerWaalsContact O-CE2 3.25Å; F10-F36 WeakPolarHBondContact O-CE2 3.45Å
11P95.8Very high92.2Very high72 Ų7279.1 Ų79.147%0.46840%0.396SS..THydrogen-bonded Turntrans-59.5-30.6178.4-26.636.7000114.1L9 R14L9-P11 VanDerWaalsContact C-N 3.26Å; L9-P11 VanDerWaalsContact O-N 3.17Å; P11-R14 VanDerWaalsContact CA-NH1 3.27Å; P11-R14 PolarHBondContact O-NH1 2.93Å
12F95.9Very high94.2Very high133 Ų13371.5 Ų71.558%0.58336%0.36SS*.G310 helixtrans-84-20.9-178.6-57.4-81.7000113.1L9 F10 R14 K15 L17L9-F12 HydrophobicContact CD2-CD2 4.01Å; L9-F12 HydrophobicContact CD2-CE2 4.34Å; L9-F12 WeakPolarHBondContact O-CB 3.48Å; L9-F12 PolarHBondContact O-N 2.86Å; F10-F12 PolarHBondContact O-N 3.25Å; F10-F12 VanDerWaalsContact O-N 3.16Å; F12-R14 PolarHBondContact O-N 3.18Å; F12-R14 VanDerWaalsContact O-N 3.13Å; F12-K15 PolarHBondContact O-N 2.91Å; F12-L17 HydrophobicContact CB-CD2 4.1Å
13T96.1Very high95Very high2 Ų264.1 Ų64.11%0.01233%0.331CS..G310 helixtrans-74.53.4176.563.40000113.6L9 F10 K15 L17 F32 F36 Q38 L40L9-T13 PolarHBondContact O-N 3.48Å; F10-T13 PolarHBondContact O-N 3.45Å; F10-T13 PolarHBondContact O-OG1 2.93Å; T13-K15 CarbonylContact C-O 3.55Å; T13-K15 PolarHBondContact O-N 2.93Å; T13-L17 HydrophobicContact CG2-CD2 3.79Å; T13-F32 HydrophobicContact CG2-CE1 4.38Å; T13-F32 HydrophobicContact CG2-CE2 4Å; T13-F32 HydrophobicContact CG2-CZ 3.63Å; T13-F36 WeakPolarHBondContact OG1-CD2 3.42Å; T13-Q38 WeakPolarHBondContact O-CB 3.41Å; T13-L40 HydrophobicContact CG2-CD1 4.24Å; T13-L40 HydrophobicContact CG2-CD2 4.08Å
14R96.1Very high95.4Very high140 Ų14065.9 Ų65.953%0.52834%0.344SS..G310 helixtrans-70.4-7.7165.4-65.5-171.5-179.393.30.4113.4P11 F12 F36P11-R14 VanDerWaalsContact CA-NH1 3.27Å; P11-R14 PolarHBondContact O-NH1 2.93Å; F12-R14 PolarHBondContact O-N 3.18Å; F12-R14 VanDerWaalsContact O-N 3.13Å; R14-F36 HydrophobicContact CG-CD1 3.86Å; R14-F36 HydrophobicContact CG-CD2 3.74Å; R14-F36 HydrophobicContact CG-CE1 3.85Å; R14-F36 HydrophobicContact CG-CE2 3.74Å; R14-F36 HydrophobicContact CG-CG 3.81Å; R14-F36 HydrophobicContact CG-CZ 3.79Å
15K96.3Very high95.5Very high151 Ų15164.4 Ų64.466%0.65734%0.337SS*.SBendtrans-128.7162.2171.2-65.7-64.2-177.1-178.70108.9F12 T13 L17F12-K15 PolarHBondContact O-N 2.91Å; T13-K15 CarbonylContact C-O 3.55Å; T13-K15 PolarHBondContact O-N 2.93Å; K15-L17 PolarHBondContact O-N 3.4Å
16P97.4Very high95.6Very high69 Ų6959 Ų5945%0.44831%0.312SS..  trans-51.1125.3171-24.231.8000110.8P39 F119P16-P39 CarbonylContact C-O 3.59Å; P16-P39 VanDerWaalsContact CA-O 3.28Å; P16-P39 WeakPolarHBondContact CA-O 3.26Å; P16-P39 HydrophobicContact CB-CB 4.17Å; P16-P39 HydrophobicContact CB-CG 4.18Å; P16-P39 HydrophobicContact CG-CG 4.21Å; P16-F119 HydrophobicContact CB-CE1 3.87Å; P16-F119 HydrophobicContact CB-CZ 3.85Å
17L97.6Very high95.6Very high38 Ų3861.5 Ų61.520%0.19933%0.327CS..EExtended strand (participates in β ladder)trans-129.8127.2-177.8-17860.3000111.4F12 T13 K15 I19 P39 L40 V41 F119F12-L17 HydrophobicContact CB-CD2 4.1Å; T13-L17 HydrophobicContact CG2-CD2 3.79Å; K15-L17 PolarHBondContact O-N 3.4Å; L17-I19 HydrophobicContact CD1-CG1 4.12Å; L17-I19 HydrophobicContact CD2-CD1 3.71Å; L17-I19 HydrophobicContact CD2-CG1 4.15Å; L17-I19 HydrophobicContact CG-CD1 3.92Å; L17-I19 HydrophobicContact CG-CG1 3.8Å; L17-P39 PolarHBondContact N-O 3.3Å; L17-L40 HydrophobicContact CB-CD1 4.06Å; L17-L40 HydrophobicContact CD2-CD1 4.26Å; L17-L40 HydrophobicContact CG-CD1 4.22Å; L17-L40 WeakPolarHBondContact O-CA 3.41Å; L17-V41 PolarHBondContact O-N 3.44Å; L17-F119 VanDerWaalsContact C-CZ 3.49Å; L17-F119 WeakPolarHBondContact O-CZ 3.41Å
18F98.1Very high95.6Very high35 Ų3562 Ų6215%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-117.5126.7174.5-169.2-77.1000109.2I20 V41 L43 F119 L125 L129F18-I20 HydrophobicContact CE1-CD1 4.44Å; F18-I20 HydrophobicContact CE1-CG1 3.98Å; F18-V41 CarbonylContact C-O 3.58Å; F18-V41 WeakPolarHBondContact CA-O 3.33Å; F18-V41 HydrophobicContact CD2-CB 3.73Å; F18-V41 HydrophobicContact CD2-CG1 3.81Å; F18-V41 HydrophobicContact CE2-CB 3.97Å; F18-V41 HydrophobicContact CE2-CG1 3.52Å; F18-V41 HydrophobicContact CZ-CG1 4.17Å; F18-L43 HydrophobicContact CE1-CD1 3.88Å; F18-L43 HydrophobicContact CE1-CG 4.05Å; F18-L43 HydrophobicContact CZ-CD1 3.57Å; F18-L43 HydrophobicContact CZ-CD2 4.38Å; F18-L43 HydrophobicContact CZ-CG 3.76Å; F18-F119 HydrophobicContact CB-CD1 4.13Å; F18-F119 HydrophobicContact CB-CE1 4Å; F18-F119 HydrophobicContact CB-CG 4.43Å; F18-F119 HydrophobicContact CB-CZ 4.21Å; F18-F119 HydrophobicContact CD2-CB 3.96Å; F18-F119 HydrophobicContact CD2-CD1 4.24Å; F18-F119 AromaticContact CD2-CD2 3.85Å; F18-F119 HydrophobicContact CD2-CD2 3.85Å; F18-F119 HydrophobicContact CD2-CE2 4.42Å; F18-F119 AromaticContact CD2-CG 3.75Å; F18-F119 HydrophobicContact CD2-CG 3.75Å; F18-F119 HydrophobicContact CE2-CB 4.37Å; F18-L125 HydrophobicContact CB-CD1 4.21Å; F18-L125 HydrophobicContact CB-CD2 4.27Å; F18-L125 HydrophobicContact CD1-CD2 3.82Å; F18-L125 HydrophobicContact CD2-CD1 4.35Å; F18-L125 HydrophobicContact CD2-CD2 4.35Å; F18-L125 HydrophobicContact CE1-CD2 4.2Å; F18-L125 HydrophobicContact CG-CD1 4.31Å; F18-L125 HydrophobicContact CG-CD2 3.9Å; F18-L129 HydrophobicContact CE2-CD1 4.31Å; F18-L129 HydrophobicContact CE2-CD2 3.81Å; F18-L129 HydrophobicContact CE2-CG 3.94Å; F18-L129 HydrophobicContact CZ-CD2 3.98Å; F18-L129 HydrophobicContact CZ-CG 4.13Å
19I97.6Very high95.7Very high27 Ų2758.4 Ų58.414%0.13831%0.309CS..EExtended strand (participates in β ladder)trans-128.7138.5-174.9-52.6165000109.8L9 L17 V21 F32 L40 V41 C42 L43L9-I19 HydrophobicContact CD1-CD1 3.53Å; L17-I19 HydrophobicContact CD1-CG1 4.12Å; L17-I19 HydrophobicContact CD2-CD1 3.71Å; L17-I19 HydrophobicContact CD2-CG1 4.15Å; L17-I19 HydrophobicContact CG-CD1 3.92Å; L17-I19 HydrophobicContact CG-CG1 3.8Å; I19-V21 HydrophobicContact CG2-CG2 3.62Å; I19-F32 HydrophobicContact CD1-CE1 3.83Å; I19-L40 HydrophobicContact CD1-CD1 4.41Å; I19-V41 PolarHBondContact N-O 3.27Å; I19-C42 CarbonylContact O-C 3.33Å; I19-C42 VanDerWaalsContact O-CA 3.27Å; I19-C42 WeakPolarHBondContact O-CA 3.48Å; I19-L43 PolarHBondContact O-N 3.44Å
20I98.3Very high95.5Very high65 Ų6560.1 Ų60.133%0.33332%0.315SS..EExtended strand (participates in β ladder)trans-108.8121.9165.2-60170000107.1F18 L43 F63 L67 L128F18-I20 HydrophobicContact CE1-CD1 4.44Å; F18-I20 HydrophobicContact CE1-CG1 3.98Å; I20-L43 CarbonylContact C-O 3.57Å; I20-L43 WeakPolarHBondContact CA-O 3.3Å; I20-L43 HydrophobicContact CG1-CB 4.33Å; I20-L43 HydrophobicContact CG1-CD1 4.33Å; I20-F63 HydrophobicContact CG2-CD1 4.49Å; I20-F63 HydrophobicContact CG2-CE1 3.71Å; I20-F63 HydrophobicContact CG2-CZ 4.48Å; I20-L67 HydrophobicContact CD1-CD1 3.98Å; I20-L67 HydrophobicContact CG1-CD1 4.45Å; I20-L67 HydrophobicContact CG2-CD1 3.77Å; I20-L128 HydrophobicContact CD1-CD1 3.86Å; I20-L128 HydrophobicContact CD1-CD2 4.02Å; I20-L128 HydrophobicContact CD1-CG 4.44Å
21V97.4Very high95.2Very high14 Ų1463.7 Ų63.79%0.08534%0.337CS..EExtended strand (participates in β ladder)trans-113.293.9-179-169.40000108.9I19 S26 Y29 L43 L44 S45I19-V21 HydrophobicContact CG2-CG2 3.62Å; V21-S26 WeakPolarHBondContact O-CB 3.43Å; V21-Y29 HydrophobicContact CB-CD2 4.46Å; V21-Y29 HydrophobicContact CG1-CD2 3.87Å; V21-Y29 HydrophobicContact CG1-CE2 4.01Å; V21-Y29 HydrophobicContact CG2-CD1 3.96Å; V21-Y29 HydrophobicContact CG2-CD2 3.98Å; V21-Y29 HydrophobicContact CG2-CE1 4.29Å; V21-Y29 HydrophobicContact CG2-CE2 4.34Å; V21-Y29 HydrophobicContact CG2-CG 3.8Å; V21-L43 PolarHBondContact N-O 2.94Å; V21-L44 HydrophobicContact CB-CD2 3.83Å; V21-L44 HydrophobicContact CG2-CD2 3.83Å; V21-S45 PolarHBondContact O-N 3.24Å; V21-S45 PolarHBondContact O-OG 3.37Å
22D95.1Very high95.1Very high60 Ų6060.3 Ų60.332%0.32132%0.315SS..  trans-97.389.9174.9-161.6-4.9000109.8S45 S61 F63 T64D22-S45 WeakPolarHBondContact OD1-CB 3.39Å; D22-S61 PolarHBondContact OD1-OG 3.4Å; D22-S61 WeakPolarHBondContact OD2-CB 3.25Å; D22-S61 PolarHBondContact OD2-OG 2.92Å; D22-F63 HydrophobicContact CB-CD1 4.12Å; D22-T64 WeakPolarHBondContact OD2-CB 3.49Å; D22-T64 PolarHBondContact OD2-N 3.23Å; D22-T64 PolarHBondContact OD2-OG1 3.13Å
23S92.6Very high94.8Very high47 Ų4757.1 Ų57.133%0.32931%0.309SS..SBendtrans-158.5151.5-169.9177.70000111.7N25 S26 S45S23-N25 PolarHBondContact O-N 2.91Å; S23-N25 VanDerWaalsContact O-N 3.13Å; S23-N25 PolarHBondContact OG-N 3.31Å; S23-S26 WeakPolarHBondContact O-CB 3.49Å; S23-S26 PolarHBondContact O-N 3.24Å; S23-S26 VanDerWaalsContact O-N 3.13Å; S23-S26 PolarHBondContact O-OG 3.31Å; S23-S45 PolarHBondContact N-OG 3.36Å; S23-S45 PolarHBondContact O-OG 2.87Å
24S90.6Very high94.4Very high105 Ų10560 Ų6073%0.73433%0.325SS*.THydrogen-bonded Turntrans-64-12.4170.955.80000113.6T47S24-T47 WeakPolarHBondContact O-CG2 3.45Å
25N92.6Very high94.2Very high78 Ų7858.2 Ų58.242%0.41733%0.325SS..THydrogen-bonded Turntrans-116.927.1175-165.242.4000112.5S23 T27 A28S23-N25 PolarHBondContact O-N 2.91Å; S23-N25 VanDerWaalsContact O-N 3.13Å; S23-N25 PolarHBondContact OG-N 3.31Å; N25-T27 PolarHBondContact O-N 2.89Å; N25-A28 WeakPolarHBondContact O-CB 3.14Å; N25-A28 PolarHBondContact O-N 3.11Å
26S95.2Very high94.2Very high0 Ų054.8 Ų54.80%031%0.31CS..G310 helixtrans-56.4-33.7-178.763.80000113V21 S23 A28 Y29 S45 T47V21-S26 WeakPolarHBondContact O-CB 3.43Å; S23-S26 WeakPolarHBondContact O-CB 3.49Å; S23-S26 PolarHBondContact O-N 3.24Å; S23-S26 VanDerWaalsContact O-N 3.13Å; S23-S26 PolarHBondContact O-OG 3.31Å; S26-A28 PolarHBondContact O-N 3.14Å; S26-A28 VanDerWaalsContact O-N 3.09Å; S26-Y29 PolarHBondContact O-N 2.87Å; S26-S45 PolarHBondContact OG-O 3.44Å; S26-T47 VanDerWaalsContact OG-CG2 3.32Å; S26-T47 WeakPolarHBondContact OG-CG2 3.42Å
27T94.1Very high93.9Very high58 Ų5854.5 Ų54.536%0.35632%0.32SS..G310 helixtrans-62.7-17-178.954.50000114.1N25 Y29 K30 T47N25-T27 PolarHBondContact O-N 2.89Å; T27-Y29 PolarHBondContact O-N 2.94Å; T27-Y29 VanDerWaalsContact O-N 3.17Å; T27-K30 VanDerWaalsContact O-CB 3.24Å; T27-K30 WeakPolarHBondContact O-CB 3.38Å; T27-K30 PolarHBondContact O-N 3.24Å; T27-T47 HydrophobicContact CG2-CG2 3.88Å
28A94.8Very high93.9Very high33 Ų3356.1 Ų56.127%0.27333%0.326SS..G310 helixtrans-56.8-29171.300000112.1P6 N25 S26P6-A28 HydrophobicContact CG-CB 4.42Å; P6-A28 VanDerWaalsContact CG-O 3.31Å; P6-A28 WeakPolarHBondContact CG-O 3.42Å; N25-A28 WeakPolarHBondContact O-CB 3.14Å; N25-A28 PolarHBondContact O-N 3.11Å; S26-A28 PolarHBondContact O-N 3.14Å; S26-A28 VanDerWaalsContact O-N 3.09Å
29Y96.3Very high93.9Very high13 Ų1355 Ų555%0.05132%0.323CS..G310 helixtrans-87.5-1.8-179.5-69.3-103.8000113.6L4 P6 L9 V21 S26 T27 N31 F32L4-Y29 PolarHBondContact O-OH 3.25Å; P6-Y29 HydrophobicContact CB-CD1 3.99Å; P6-Y29 HydrophobicContact CB-CE1 4.03Å; P6-Y29 HydrophobicContact CB-CG 4.44Å; P6-Y29 HydrophobicContact CG-CD1 3.75Å; P6-Y29 HydrophobicContact CG-CD2 3.88Å; P6-Y29 HydrophobicContact CG-CE1 3.89Å; P6-Y29 HydrophobicContact CG-CE2 3.99Å; P6-Y29 HydrophobicContact CG-CG 3.74Å; L9-Y29 HydrophobicContact CD1-CE1 3.92Å; V21-Y29 HydrophobicContact CB-CD2 4.46Å; V21-Y29 HydrophobicContact CG1-CD2 3.87Å; V21-Y29 HydrophobicContact CG1-CE2 4.01Å; V21-Y29 HydrophobicContact CG2-CD1 3.96Å; V21-Y29 HydrophobicContact CG2-CD2 3.98Å; V21-Y29 HydrophobicContact CG2-CE1 4.29Å; V21-Y29 HydrophobicContact CG2-CE2 4.34Å; V21-Y29 HydrophobicContact CG2-CG 3.8Å; S26-Y29 PolarHBondContact O-N 2.87Å; T27-Y29 PolarHBondContact O-N 2.94Å; T27-Y29 VanDerWaalsContact O-N 3.17Å; Y29-N31 VanDerWaalsContact C-N 3.25Å; Y29-N31 PolarHBondContact O-N 2.92Å; Y29-F32 AromaticContact CD1-CD1 3.9Å; Y29-F32 HydrophobicContact CD1-CD1 3.9Å; Y29-F32 HydrophobicContact CD1-CE1 4.17Å; Y29-F32 HydrophobicContact CE1-CE1 4.39Å; Y29-F32 WeakPolarHBondContact O-CB 3.47Å; Y29-F32 PolarHBondContact O-N 3.41Å
30K93.2Very high93.9Very high61 Ų6153.8 Ų53.827%0.26532%0.317SS..G310 helixtrans-66.2-28.6179.9-170.6174.4-174.8166.50112.9T27 L44 E153 Y155T27-K30 VanDerWaalsContact O-CB 3.24Å; T27-K30 WeakPolarHBondContact O-CB 3.38Å; T27-K30 PolarHBondContact O-N 3.24Å; K30-L44 HydrophobicContact CB-CD1 4.04Å; K30-E153 WeakPolarHBondContact CD-OE2 3.48Å; K30-E153 IonicContact NZ-OE1 3.66Å; K30-E153 PolarHBondContact NZ-OE1 2.82Å; K30-E153 IonicContact NZ-OE2 3.93Å; K30-E153 PolarHBondContact NZ-OE2 3.25Å; K30-Y155 WeakPolarHBondContact O-CD2 3.45Å
31N89.5Confident93.9Very high136 Ų13650.7 Ų50.773%0.72730%0.301SS*.G310 helixtrans-113.641.4179.8-60.7-44.7000110.9Y29 S33Y29-N31 VanDerWaalsContact C-N 3.25Å; Y29-N31 PolarHBondContact O-N 2.92Å; N31-S33 PolarHBondContact O-N 2.98Å
32F92.6Very high93.9Very high2 Ų250 Ų501%0.00930%0.297CS..  trans-71.5100.4-177.7-163.8165.3000110.2P6 L9 F10 T13 I19 Y29 N34 L40 Y155P6-F32 HydrophobicContact CB-CD1 4.03Å; P6-F32 HydrophobicContact CB-CD2 3.93Å; P6-F32 HydrophobicContact CB-CE1 4.22Å; P6-F32 HydrophobicContact CB-CE2 4.11Å; P6-F32 HydrophobicContact CB-CG 3.9Å; P6-F32 HydrophobicContact CB-CZ 4.27Å; P6-F32 VanDerWaalsContact O-CE2 3.27Å; P6-F32 WeakPolarHBondContact O-CE2 3.48Å; P6-F32 WeakPolarHBondContact O-CZ 3.47Å; L9-F32 HydrophobicContact CB-CE1 4.21Å; L9-F32 HydrophobicContact CB-CZ 3.74Å; L9-F32 HydrophobicContact CD1-CE1 4.43Å; F10-F32 HydrophobicContact CD1-CD2 4.41Å; F10-F32 AromaticContact CD1-CE2 3.65Å; F10-F32 HydrophobicContact CD1-CE2 3.65Å; F10-F32 AromaticContact CE1-CD2 3.91Å; F10-F32 HydrophobicContact CE1-CD2 3.91Å; F10-F32 AromaticContact CE1-CE2 3.58Å; F10-F32 HydrophobicContact CE1-CE2 3.58Å; T13-F32 HydrophobicContact CG2-CE1 4.38Å; T13-F32 HydrophobicContact CG2-CE2 4Å; T13-F32 HydrophobicContact CG2-CZ 3.63Å; I19-F32 HydrophobicContact CD1-CE1 3.83Å; Y29-F32 AromaticContact CD1-CD1 3.9Å; Y29-F32 HydrophobicContact CD1-CD1 3.9Å; Y29-F32 HydrophobicContact CD1-CE1 4.17Å; Y29-F32 HydrophobicContact CE1-CE1 4.39Å; Y29-F32 WeakPolarHBondContact O-CB 3.47Å; Y29-F32 PolarHBondContact O-N 3.41Å; F32-N34 PolarHBondContact O-N 3.23Å; F32-N34 VanDerWaalsContact O-N 3.15Å; F32-L40 HydrophobicContact CB-CD2 4.25Å; F32-L40 HydrophobicContact CD1-CD1 4.28Å; F32-L40 HydrophobicContact CD1-CD2 3.86Å; F32-L40 HydrophobicContact CD1-CG 4.5Å; F32-L40 HydrophobicContact CD2-CD2 4Å; F32-L40 HydrophobicContact CE1-CD1 4.19Å; F32-L40 HydrophobicContact CE1-CD2 4.17Å; F32-L40 HydrophobicContact CE2-CD2 4.3Å; F32-L40 HydrophobicContact CG-CD2 3.76Å; F32-L40 HydrophobicContact CZ-CD2 4.36Å; F32-Y155 HydrophobicContact CB-CD1 4.12Å; F32-Y155 HydrophobicContact CB-CE1 4.25Å; F32-Y155 HydrophobicContact CB-CG 4.45Å; F32-Y155 WeakPolarHBondContact O-CE1 3.49Å; F32-Y155 PolarHBondContact O-OH 3.14Å
33S89.4Confident94.1Very high65 Ų6547.2 Ų47.246%0.45528%0.282SS..  trans-55.1117.8-179.9-53.80000112.8F10 N31 L35F10-S33 WeakPolarHBondContact CE1-O 3.44Å; N31-S33 PolarHBondContact O-N 2.98Å; S33-L35 PolarHBondContact O-N 3.15Å; S33-L35 VanDerWaalsContact O-N 3.1Å
34N87.9Confident94.4Very high64 Ų6445 Ų4534%0.34227%0.266SS..  trans-80.389.9173.1-171.5-5.1000111F32 G37 Q38F32-N34 PolarHBondContact O-N 3.23Å; F32-N34 VanDerWaalsContact O-N 3.15Å; N34-G37 PolarHBondContact OD1-N 3.35Å; N34-Q38 PolarHBondContact ND2-O 3.46Å; N34-Q38 PolarHBondContact OD1-O 3.09Å
35L92.4Very high94.7Very high102 Ų10240.2 Ų40.253%0.53423%0.233SC..SBendtrans-76.5-20.7-174.9-59.4-178.5000114.5F10 S33F10-L35 HydrophobicContact CB-CD1 4.45Å; F10-L35 HydrophobicContact CD1-CD1 3.57Å; F10-L35 HydrophobicContact CD1-CG 4.01Å; F10-L35 HydrophobicContact CD2-CD1 3.97Å; F10-L35 HydrophobicContact CE1-CD1 3.68Å; F10-L35 HydrophobicContact CE1-CG 3.88Å; F10-L35 HydrophobicContact CE2-CD1 4.05Å; F10-L35 HydrophobicContact CG-CD1 3.76Å; F10-L35 HydrophobicContact CZ-CD1 3.93Å; F10-L35 HydrophobicContact CZ-CG 4.38Å; S33-L35 PolarHBondContact O-N 3.15Å; S33-L35 VanDerWaalsContact O-N 3.1Å
36F95.2Very high94.8Very high78 Ų7836.6 Ų36.634%0.34221%0.213SC..SBendtrans-117.83.3-170.2-56.3-74.8000113.8F10 T13 R14 Q38F10-F36 VanDerWaalsContact O-CE2 3.25Å; F10-F36 WeakPolarHBondContact O-CE2 3.45Å; T13-F36 WeakPolarHBondContact OG1-CD2 3.42Å; R14-F36 HydrophobicContact CG-CD1 3.86Å; R14-F36 HydrophobicContact CG-CD2 3.74Å; R14-F36 HydrophobicContact CG-CE1 3.85Å; R14-F36 HydrophobicContact CG-CE2 3.74Å; R14-F36 HydrophobicContact CG-CG 3.81Å; R14-F36 HydrophobicContact CG-CZ 3.79Å; F36-Q38 HydrophobicContact CB-CG 4.39Å; F36-Q38 PolarHBondContact O-N 3.02Å; F36-Q38 VanDerWaalsContact O-N 3.12Å
37G92.9Very high94.8Very high64 Ų6438.2 Ų38.266%0.6622%0.223SC*.  trans64.114.5179.200000114.3N34N34-G37 PolarHBondContact OD1-N 3.35Å
38Q96.9Very high94.7Very high71 Ų7137 Ų3733%0.33222%0.216SC..  trans-83.4155.4174.4-63.7-62.4-60.600110.2T13 N34 F36 L40T13-Q38 WeakPolarHBondContact O-CB 3.41Å; N34-Q38 PolarHBondContact ND2-O 3.46Å; N34-Q38 PolarHBondContact OD1-O 3.09Å; F36-Q38 HydrophobicContact CB-CG 4.39Å; F36-Q38 PolarHBondContact O-N 3.02Å; F36-Q38 VanDerWaalsContact O-N 3.12Å; Q38-L40 PolarHBondContact O-N 3.48Å
39P97.2Very high94.5Very high11 Ų1137.3 Ų37.37%0.07121%0.21CC..  trans-55.9126.5174.1-23.132.8000111.1P16 L17 A115 Q118 F119P16-P39 CarbonylContact C-O 3.59Å; P16-P39 VanDerWaalsContact CA-O 3.28Å; P16-P39 WeakPolarHBondContact CA-O 3.26Å; P16-P39 HydrophobicContact CB-CB 4.17Å; P16-P39 HydrophobicContact CB-CG 4.18Å; P16-P39 HydrophobicContact CG-CG 4.21Å; L17-P39 PolarHBondContact N-O 3.3Å; P39-A115 HydrophobicContact CB-CB 4.12Å; P39-Q118 HydrophobicContact CG-CB 4.33Å; P39-Q118 VanDerWaalsContact CG-CD 3.43Å; P39-Q118 HydrophobicContact CG-CG 4.48Å; P39-F119 HydrophobicContact CB-CD2 4.48Å; P39-F119 HydrophobicContact CB-CE2 3.65Å; P39-F119 HydrophobicContact CB-CZ 3.82Å
40L97.6Very high94.2Very high3 Ų337.6 Ų37.62%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-134.6121176.9175.256.8000107.6T13 L17 I19 F32 Q38 Y155 P156T13-L40 HydrophobicContact CG2-CD1 4.24Å; T13-L40 HydrophobicContact CG2-CD2 4.08Å; L17-L40 HydrophobicContact CB-CD1 4.06Å; L17-L40 HydrophobicContact CD2-CD1 4.26Å; L17-L40 HydrophobicContact CG-CD1 4.22Å; L17-L40 WeakPolarHBondContact O-CA 3.41Å; I19-L40 HydrophobicContact CD1-CD1 4.41Å; F32-L40 HydrophobicContact CB-CD2 4.25Å; F32-L40 HydrophobicContact CD1-CD1 4.28Å; F32-L40 HydrophobicContact CD1-CD2 3.86Å; F32-L40 HydrophobicContact CD1-CG 4.5Å; F32-L40 HydrophobicContact CD2-CD2 4Å; F32-L40 HydrophobicContact CE1-CD1 4.19Å; F32-L40 HydrophobicContact CE1-CD2 4.17Å; F32-L40 HydrophobicContact CE2-CD2 4.3Å; F32-L40 HydrophobicContact CG-CD2 3.76Å; F32-L40 HydrophobicContact CZ-CD2 4.36Å; Q38-L40 PolarHBondContact O-N 3.48Å; L40-Y155 HydrophobicContact CB-CE1 4.45Å; L40-Y155 HydrophobicContact CD2-CD1 4.3Å; L40-Y155 HydrophobicContact CD2-CE1 3.84Å; L40-Y155 HydrophobicContact CG-CD1 4.16Å; L40-Y155 HydrophobicContact CG-CE1 4Å; L40-P156 VanDerWaalsContact O-CD 3.3Å; L40-P156 WeakPolarHBondContact O-CD 3.41Å
41V98.1Very high93.8Very high0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-127.4131.3173171.10000109.5L17 F18 I19 L43 A115 F116 F119 L129 Y155L17-V41 PolarHBondContact O-N 3.44Å; F18-V41 CarbonylContact C-O 3.58Å; F18-V41 WeakPolarHBondContact CA-O 3.33Å; F18-V41 HydrophobicContact CD2-CB 3.73Å; F18-V41 HydrophobicContact CD2-CG1 3.81Å; F18-V41 HydrophobicContact CE2-CB 3.97Å; F18-V41 HydrophobicContact CE2-CG1 3.52Å; F18-V41 HydrophobicContact CZ-CG1 4.17Å; I19-V41 PolarHBondContact N-O 3.27Å; V41-L43 HydrophobicContact CG1-CD2 4.14Å; V41-A115 HydrophobicContact CG2-CB 3.97Å; V41-F116 HydrophobicContact CG1-CD1 4.04Å; V41-F116 HydrophobicContact CG1-CE1 3.55Å; V41-F116 HydrophobicContact CG1-CZ 4.11Å; V41-F116 HydrophobicContact CG2-CD1 4Å; V41-F116 HydrophobicContact CG2-CD2 4.43Å; V41-F116 HydrophobicContact CG2-CE1 4.08Å; V41-F116 HydrophobicContact CG2-CG 4.18Å; V41-F116 HydrophobicContact CG2-CZ 4.33Å; V41-F119 HydrophobicContact CB-CD2 3.96Å; V41-F119 HydrophobicContact CB-CE2 4.06Å; V41-F119 HydrophobicContact CG2-CD2 3.63Å; V41-F119 HydrophobicContact CG2-CE2 3.88Å; V41-L129 HydrophobicContact CG1-CD2 4.42Å; V41-Y155 CarbonylContact C-O 3.51Å; V41-Y155 VanDerWaalsContact CA-O 3.24Å; V41-Y155 WeakPolarHBondContact CA-O 3.29Å
42C98.4Very high93.6Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-119.5130.5170.5-56.50000109.9I19 L44 S154 Y155I19-C42 CarbonylContact O-C 3.33Å; I19-C42 VanDerWaalsContact O-CA 3.27Å; I19-C42 WeakPolarHBondContact O-CA 3.48Å; C42-L44 HydrophobicContact CB-CD2 3.73Å; C42-L44 HydrophobicContact CB-CG 4.46Å; C42-S154 CarbonylContact O-C 3.33Å; C42-S154 WeakPolarHBondContact O-CA 3.44Å; C42-S154 WeakPolarHBondContact O-CB 3.24Å; C42-Y155 PolarHBondContact N-O 3.35Å; C42-Y155 PolarHBondContact O-N 2.86Å
43L98.6Very high93.1Very high0 Ų039.9 Ų39.90%023%0.226CC..EExtended strand (participates in β ladder)trans-103.5119168.4-55.5-173.3000108.8F18 I19 I20 V21 V41 F63 L129 F132F18-L43 HydrophobicContact CE1-CD1 3.88Å; F18-L43 HydrophobicContact CE1-CG 4.05Å; F18-L43 HydrophobicContact CZ-CD1 3.57Å; F18-L43 HydrophobicContact CZ-CD2 4.38Å; F18-L43 HydrophobicContact CZ-CG 3.76Å; I19-L43 PolarHBondContact O-N 3.44Å; I20-L43 CarbonylContact C-O 3.57Å; I20-L43 WeakPolarHBondContact CA-O 3.3Å; I20-L43 HydrophobicContact CG1-CB 4.33Å; I20-L43 HydrophobicContact CG1-CD1 4.33Å; V21-L43 PolarHBondContact N-O 2.94Å; V41-L43 HydrophobicContact CG1-CD2 4.14Å; L43-F63 HydrophobicContact CB-CZ 4.15Å; L43-L129 HydrophobicContact CD2-CD2 4.05Å; L43-F132 HydrophobicContact CB-CD2 3.8Å; L43-F132 HydrophobicContact CB-CE2 3.98Å; L43-F132 HydrophobicContact CD1-CB 3.83Å; L43-F132 HydrophobicContact CD1-CD2 3.98Å; L43-F132 HydrophobicContact CD1-CG 3.99Å; L43-F132 HydrophobicContact CD2-CB 4.41Å; L43-F132 HydrophobicContact CD2-CD1 3.96Å; L43-F132 HydrophobicContact CD2-CD2 3.82Å; L43-F132 HydrophobicContact CD2-CE1 4.2Å; L43-F132 HydrophobicContact CD2-CE2 4.03Å; L43-F132 HydrophobicContact CD2-CG 3.78Å; L43-F132 HydrophobicContact CD2-CZ 4.24Å; L43-F132 HydrophobicContact CG-CD2 4.08Å; L43-F132 HydrophobicContact CG-CE2 4.49Å; L43-F132 HydrophobicContact CG-CG 4.32Å
44L98.3Very high92.3Very high1 Ų141 Ų411%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-111.3126.5-168.3-48.2-178.6000109.6V21 K30 C42 P152 E153V21-L44 HydrophobicContact CB-CD2 3.83Å; V21-L44 HydrophobicContact CG2-CD2 3.83Å; K30-L44 HydrophobicContact CB-CD1 4.04Å; C42-L44 HydrophobicContact CB-CD2 3.73Å; C42-L44 HydrophobicContact CB-CG 4.46Å; L44-P152 CarbonylContact O-C 3.48Å; L44-P152 WeakPolarHBondContact O-CA 3.25Å; L44-P152 WeakPolarHBondContact O-CB 3.4Å; L44-E153 WeakPolarHBondContact CA-O 3.45Å; L44-E153 HydrophobicContact CB-CB 4.48Å; L44-E153 VanDerWaalsContact CB-O 3.31Å; L44-E153 WeakPolarHBondContact CB-O 3.31Å; L44-E153 PolarHBondContact N-O 3.05Å; L44-E153 PolarHBondContact O-N 3.36Å
45S97.3Very high91.1Very high4 Ų444.2 Ų44.23%0.02824%0.241CC..  trans-64.3156.6173.763.40000111.5V21 D22 S23 S26 F63V21-S45 PolarHBondContact O-N 3.24Å; V21-S45 PolarHBondContact O-OG 3.37Å; D22-S45 WeakPolarHBondContact OD1-CB 3.39Å; S23-S45 PolarHBondContact N-OG 3.36Å; S23-S45 PolarHBondContact O-OG 2.87Å; S26-S45 PolarHBondContact OG-O 3.44Å; S45-F63 VanDerWaalsContact CB-CD1 3.45Å
46P96.1Very high89.7Confident2 Ų242.6 Ų42.61%0.01323%0.231CC..  trans-51145.4159.7-22.932000111.6Y49 L139 R149 S150P46-Y49 HydrophobicContact CB-CD1 4.5Å; P46-Y49 HydrophobicContact CB-CE1 3.98Å; P46-Y49 HydrophobicContact CB-CE2 4.17Å; P46-Y49 WeakPolarHBondContact CD-OH 3.42Å; P46-Y49 HydrophobicContact CG-CE1 3.9Å; P46-L139 HydrophobicContact CG-CD1 4.24Å; P46-R149 WeakPolarHBondContact CA-O 3.42Å; P46-S150 WeakPolarHBondContact CG-O 3.45Å
47T93.9Very high88Confident34 Ų3442.1 Ų42.121%0.20924%0.237CC..SBendtrans-100.1-11.8172.254.10000112.3S24 S26 T27 R149S24-T47 WeakPolarHBondContact O-CG2 3.45Å; S26-T47 VanDerWaalsContact OG-CG2 3.32Å; S26-T47 WeakPolarHBondContact OG-CG2 3.42Å; T27-T47 HydrophobicContact CG2-CG2 3.88Å; T47-R149 PolarHBondContact N-O 3.3Å
48V92.2Very high86.6Confident33 Ų3347.4 Ų47.420%0.225%0.245CC..  trans-126.6132.6174.81770000108.9R149 S150V48-R149 HydrophobicContact CB-CB 4.12Å; V48-R149 HydrophobicContact CG2-CB 3.83Å; V48-R149 PolarHBondContact N-O 2.96Å; V48-R149 VanDerWaalsContact N-O 3.15Å; V48-S150 VanDerWaalsContact O-CA 3.24Å; V48-S150 WeakPolarHBondContact O-CA 3.27Å; V48-S150 WeakPolarHBondContact O-CB 3.37Å
49Y91Very high85.3Confident39 Ų3954.9 Ų54.915%0.15327%0.27CS..  trans-122.1148.3172.8-69-86.4000109.2P46 V53 Q54 L62 F145P46-Y49 HydrophobicContact CB-CD1 4.5Å; P46-Y49 HydrophobicContact CB-CE1 3.98Å; P46-Y49 HydrophobicContact CB-CE2 4.17Å; P46-Y49 WeakPolarHBondContact CD-OH 3.42Å; P46-Y49 HydrophobicContact CG-CE1 3.9Å; Y49-V53 HydrophobicContact CD1-CG1 4.16Å; Y49-Q54 PolarHBondContact O-NE2 3.49Å; Y49-L62 HydrophobicContact CD1-CD2 4.24Å; Y49-L62 HydrophobicContact CE1-CB 3.99Å; Y49-L62 HydrophobicContact CE1-CD2 4.12Å; Y49-F145 HydrophobicContact CD1-CE1 4.27Å
50P89.6Confident84.6Confident20 Ų2056.6 Ų56.613%0.1329%0.29CS..  trans-56.9145.5172.1-22.733.5000111.1S52 V53 Q54 L144 F145P50-S52 VanDerWaalsContact C-N 3.28Å; P50-S52 PolarHBondContact O-N 3.08Å; P50-V53 HydrophobicContact CB-CG2 4.27Å; P50-V53 HydrophobicContact CG-CG2 4.34Å; P50-V53 WeakPolarHBondContact O-CA 3.31Å; P50-V53 WeakPolarHBondContact O-CB 3.48Å; P50-V53 PolarHBondContact O-N 2.72Å; P50-Q54 PolarHBondContact O-N 2.86Å; P50-L144 HydrophobicContact CB-CB 4.1Å; P50-L144 HydrophobicContact CG-CB 3.81Å; P50-L144 WeakPolarHBondContact CG-O 3.48Å; P50-F145 HydrophobicContact CG-CD1 4.01Å; P50-F145 HydrophobicContact CG-CD2 4.06Å; P50-F145 HydrophobicContact CG-CE1 3.89Å; P50-F145 HydrophobicContact CG-CE2 3.9Å; P50-F145 HydrophobicContact CG-CG 4.09Å; P50-F145 HydrophobicContact CG-CZ 3.82Å
51K85.9Confident84.2Confident173 Ų17358.3 Ų58.375%0.75230%0.302SS*.Hα-helixtrans-53.1-43.7-176.7-67.3-174.2179.3-178.30113V53 Q54 D55K51-V53 PolarHBondContact O-N 3.34Å; K51-Q54 PolarHBondContact O-N 2.86Å; K51-Q54 VanDerWaalsContact O-N 3.12Å; K51-D55 PolarHBondContact O-N 3.02Å; K51-D55 VanDerWaalsContact O-N 3.09Å
52S83.6Confident84Confident61 Ų6159.1 Ų59.143%0.42731%0.307SS..Hα-helixtrans-61.8-24177.954.10000114.3P50P50-S52 VanDerWaalsContact C-N 3.28Å; P50-S52 PolarHBondContact O-N 3.08Å
53V82.6Confident84Confident13 Ų1359.2 Ų59.28%0.07931%0.307CS..Hα-helixtrans-89.9-36.8175.51770000110.5Y49 P50 K51 D55 Q56 S57 L62 V77 F145Y49-V53 HydrophobicContact CD1-CG1 4.16Å; P50-V53 HydrophobicContact CB-CG2 4.27Å; P50-V53 HydrophobicContact CG-CG2 4.34Å; P50-V53 WeakPolarHBondContact O-CA 3.31Å; P50-V53 WeakPolarHBondContact O-CB 3.48Å; P50-V53 PolarHBondContact O-N 2.72Å; K51-V53 PolarHBondContact O-N 3.34Å; V53-D55 VanDerWaalsContact C-N 3.29Å; V53-D55 PolarHBondContact O-N 3.25Å; V53-Q56 WeakPolarHBondContact O-CB 3.5Å; V53-Q56 PolarHBondContact O-N 2.84Å; V53-S57 PolarHBondContact O-N 2.91Å; V53-L62 HydrophobicContact CG1-CD2 3.68Å; V53-V77 HydrophobicContact CG2-CG2 4.38Å; V53-F145 HydrophobicContact CG2-CZ 4.1Å
54Q72.4Confident83.8Confident88 Ų8862.5 Ų62.541%0.41133%0.327SS..Hα-helixtrans-59.5-39.2175.7-73.4-177-21.700112.1Y49 P50 K51 Q56 S57Y49-Q54 PolarHBondContact O-NE2 3.49Å; P50-Q54 PolarHBondContact O-N 2.86Å; K51-Q54 PolarHBondContact O-N 2.86Å; K51-Q54 VanDerWaalsContact O-N 3.12Å; Q54-Q56 PolarHBondContact O-N 3.41Å; Q54-Q56 VanDerWaalsContact O-N 3.16Å; Q54-S57 WeakPolarHBondContact O-CB 3.3Å; Q54-S57 PolarHBondContact O-N 2.85Å; Q54-S57 PolarHBondContact O-OG 3.35Å
55D62.7Low83.7Confident132 Ų13264.7 Ų64.771%0.70634%0.338SS*.THydrogen-bonded Turntrans-62.3-24.4176.9-68.3-21.5000112.4K51 V53K51-D55 PolarHBondContact O-N 3.02Å; K51-D55 VanDerWaalsContact O-N 3.09Å; V53-D55 VanDerWaalsContact C-N 3.29Å; V53-D55 PolarHBondContact O-N 3.25Å
56Q62.8Low83.8Confident67 Ų6764.5 Ų64.531%0.31334%0.337SS..THydrogen-bonded Turntrans-84.9-10.5175.3-56.7-17822.300113.5V53 Q54 Q58 R59 S76V53-Q56 WeakPolarHBondContact O-CB 3.5Å; V53-Q56 PolarHBondContact O-N 2.84Å; Q54-Q56 PolarHBondContact O-N 3.41Å; Q54-Q56 VanDerWaalsContact O-N 3.16Å; Q56-Q58 PolarHBondContact O-N 3.46Å; Q56-R59 WeakPolarHBondContact O-CB 3.27Å; Q56-R59 PolarHBondContact O-N 2.71Å; Q56-S76 PolarHBondContact OE1-OG 2.56Å
57S60.4Low83.8Confident69 Ų6964.8 Ų64.848%0.48334%0.339SS..G310 helixtrans-61.6-17-176.267.10000114.3V53 Q54 R59 G60V53-S57 PolarHBondContact O-N 2.91Å; Q54-S57 WeakPolarHBondContact O-CB 3.3Å; Q54-S57 PolarHBondContact O-N 2.85Å; Q54-S57 PolarHBondContact O-OG 3.35Å; S57-R59 PolarHBondContact O-N 3.33Å; S57-G60 PolarHBondContact O-N 2.88Å
58Q62.2Low84Confident175 Ų17571.4 Ų71.482%0.81836%0.361SS*.G310 helixtrans-59.4-15.1169.4-59.5-60.7-29.600112.8Q56Q56-Q58 PolarHBondContact O-N 3.46Å
59R70Confident84.2Confident227 Ų22770.9 Ų70.986%0.85736%0.359SS*.G310 helixtrans-96.16.1177.1-60.5-179.1175.7166.3-0.5113.9Q56 S57Q56-R59 WeakPolarHBondContact O-CB 3.27Å; Q56-R59 PolarHBondContact O-N 2.71Å; S57-R59 PolarHBondContact O-N 3.33Å
60G82.6Confident84.6Confident48 Ų4869.3 Ų69.350%0.49535%0.354SS..  trans109174.8-176.900000113.1S57S57-G60 PolarHBondContact O-N 2.88Å
61S90.6Very high85Confident39 Ų3968.6 Ų68.627%0.27335%0.348SS..  trans-75.5131.2-177.81780000112.2D22 F63 T64 L65D22-S61 PolarHBondContact OD1-OG 3.4Å; D22-S61 WeakPolarHBondContact OD2-CB 3.25Å; D22-S61 PolarHBondContact OD2-OG 2.92Å; S61-F63 VanDerWaalsContact C-N 3.26Å; S61-F63 PolarHBondContact O-N 3.5Å; S61-F63 PolarHBondContact OG-N 3.42Å; S61-T64 PolarHBondContact O-N 3.09Å; S61-L65 WeakPolarHBondContact O-CB 3.3Å; S61-L65 PolarHBondContact O-N 3.12Å
62L94Very high85.4Confident17 Ų1764 Ų649%0.08933%0.332CS..Hα-helixtrans-59.5-38.8173.218062.2000111.4Y49 V53 L65 F66 V77 L139 F145Y49-L62 HydrophobicContact CD1-CD2 4.24Å; Y49-L62 HydrophobicContact CE1-CB 3.99Å; Y49-L62 HydrophobicContact CE1-CD2 4.12Å; V53-L62 HydrophobicContact CG1-CD2 3.68Å; L62-L65 WeakPolarHBondContact O-CB 3.3Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-F66 HydrophobicContact CD1-CD2 3.84Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD2-CE2 4.36Å; L62-F66 HydrophobicContact CG-CD2 3.95Å; L62-F66 HydrophobicContact CG-CE2 3.95Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 3.12Å; L62-V77 HydrophobicContact CD2-CB 4.46Å; L62-V77 HydrophobicContact CD2-CG2 4.2Å; L62-L139 HydrophobicContact CD2-CD2 4.28Å; L62-F145 HydrophobicContact CD2-CZ 4.12Å
63F96.6Very high86Confident1 Ų161 Ų610%0.00431%0.311CS..Hα-helixtrans-63-52.1179.5179.2-121.2000111.3I20 D22 L43 S45 S61 L65 F66 L67 F132 P152I20-F63 HydrophobicContact CG2-CD1 4.49Å; I20-F63 HydrophobicContact CG2-CE1 3.71Å; I20-F63 HydrophobicContact CG2-CZ 4.48Å; D22-F63 HydrophobicContact CB-CD1 4.12Å; L43-F63 HydrophobicContact CB-CZ 4.15Å; S45-F63 VanDerWaalsContact CB-CD1 3.45Å; S61-F63 VanDerWaalsContact C-N 3.26Å; S61-F63 PolarHBondContact O-N 3.5Å; S61-F63 PolarHBondContact OG-N 3.42Å; F63-L65 VanDerWaalsContact C-N 3.26Å; F63-L65 PolarHBondContact O-N 3.38Å; F63-F66 PolarHBondContact O-N 3.26Å; F63-L67 HydrophobicContact CD1-CD1 4.28Å; F63-L67 HydrophobicContact CE1-CD1 3.82Å; F63-L67 HydrophobicContact CE2-CD1 4.24Å; F63-L67 HydrophobicContact CE2-CD2 4.43Å; F63-L67 HydrophobicContact CE2-CG 4.35Å; F63-L67 HydrophobicContact CZ-CD1 3.8Å; F63-L67 HydrophobicContact CZ-CG 4.39Å; F63-L67 WeakPolarHBondContact O-CG 3.41Å; F63-L67 PolarHBondContact O-N 2.99Å; F63-F132 AromaticContact CE2-CD2 3.73Å; F63-F132 HydrophobicContact CE2-CD2 3.73Å; F63-F132 AromaticContact CE2-CE2 3.98Å; F63-F132 HydrophobicContact CE2-CE2 3.98Å; F63-F132 AromaticContact CZ-CD2 3.85Å; F63-F132 HydrophobicContact CZ-CD2 3.85Å; F63-F132 HydrophobicContact CZ-CE2 4.05Å; F63-P152 HydrophobicContact CD2-CB 3.99Å; F63-P152 HydrophobicContact CE2-CB 3.61Å; F63-P152 HydrophobicContact CE2-CG 4.43Å; F63-P152 HydrophobicContact CZ-CB 4.47Å
64T96Very high86.8Confident70 Ų7060.4 Ų60.443%0.42931%0.307SS..Hα-helixtrans-58.2-38.5173.4-70.80000111.9D22 S61 F66 L67 Y68D22-T64 WeakPolarHBondContact OD2-CB 3.49Å; D22-T64 PolarHBondContact OD2-N 3.23Å; D22-T64 PolarHBondContact OD2-OG1 3.13Å; S61-T64 PolarHBondContact O-N 3.09Å; T64-F66 PolarHBondContact O-N 3.39Å; T64-L67 PolarHBondContact O-N 3.31Å; T64-Y68 WeakPolarHBondContact O-CB 3.4Å; T64-Y68 PolarHBondContact O-N 3.39Å
65L96Very high87.9Confident46 Ų4656.4 Ų56.424%0.24129%0.289CS..Hα-helixtrans-61-42.8177.3-174.861.6000112.1S61 L62 F63 Y68 S69 L72S61-L65 WeakPolarHBondContact O-CB 3.3Å; S61-L65 PolarHBondContact O-N 3.12Å; L62-L65 WeakPolarHBondContact O-CB 3.3Å; L62-L65 PolarHBondContact O-N 2.94Å; F63-L65 VanDerWaalsContact C-N 3.26Å; F63-L65 PolarHBondContact O-N 3.38Å; L65-Y68 PolarHBondContact O-N 2.89Å; L65-S69 CarbonylContact O-C 3.59Å; L65-S69 WeakPolarHBondContact O-CA 3.34Å; L65-S69 PolarHBondContact O-N 3.06Å; L65-S69 VanDerWaalsContact O-O 3.13Å; L65-L72 HydrophobicContact CD1-CB 4.38Å; L65-L72 HydrophobicContact CD1-CD2 3.74Å; L65-L72 HydrophobicContact CD1-CG 3.97Å; L65-L72 HydrophobicContact CD2-CG 4.37Å; L65-L72 HydrophobicContact CG-CG 4.43Å
66F97.9Very high89.4Confident0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-63.6-42.7173.3-93.2-82.7000112.2L62 F63 T64 Y68 P70 F74 V77 F134 C135 A138 L139L62-F66 HydrophobicContact CD1-CD2 3.84Å; L62-F66 HydrophobicContact CD1-CE2 3.7Å; L62-F66 HydrophobicContact CD2-CE2 4.36Å; L62-F66 HydrophobicContact CG-CD2 3.95Å; L62-F66 HydrophobicContact CG-CE2 3.95Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 3.12Å; F63-F66 PolarHBondContact O-N 3.26Å; T64-F66 PolarHBondContact O-N 3.39Å; F66-Y68 VanDerWaalsContact C-N 3.26Å; F66-Y68 PolarHBondContact O-N 3.11Å; F66-P70 WeakPolarHBondContact O-CA 3.44Å; F66-P70 VanDerWaalsContact O-CD 3.3Å; F66-P70 WeakPolarHBondContact O-CD 3.49Å; F66-P70 VanDerWaalsContact O-CG 3.27Å; F66-P70 WeakPolarHBondContact O-CG 3.39Å; F66-F74 HydrophobicContact CE1-CB 4.18Å; F66-F74 HydrophobicContact CZ-CB 4.39Å; F66-V77 HydrophobicContact CZ-CG1 4.18Å; F66-F134 HydrophobicContact CD1-CD1 4.32Å; F66-F134 HydrophobicContact CD1-CE1 4.43Å; F66-F134 HydrophobicContact CE1-CD1 4.33Å; F66-F134 HydrophobicContact CE1-CE1 4.07Å; F66-C135 HydrophobicContact CB-CB 3.72Å; F66-C135 WeakPolarHBondContact CB-SG 3.27Å; F66-C135 HydrophobicContact CD1-CB 3.85Å; F66-C135 HydrophobicContact CG-CB 3.83Å; F66-C135 WeakPolarHBondContact CG-SG 3.46Å; F66-A138 HydrophobicContact CE1-CB 4.17Å; F66-A138 HydrophobicContact CZ-CB 4.36Å; F66-L139 HydrophobicContact CE2-CD2 4.06Å; F66-L139 HydrophobicContact CE2-CG 4.49Å; F66-L139 HydrophobicContact CZ-CD2 4.34Å
67L98Very high90.9Very high8 Ų849 Ų494%0.04226%0.255CS..Hα-helixtrans-67.3-27.3178.2-63.6-173.9000112.8I20 F63 T64 L128 R131 F132I20-L67 HydrophobicContact CD1-CD1 3.98Å; I20-L67 HydrophobicContact CG1-CD1 4.45Å; I20-L67 HydrophobicContact CG2-CD1 3.77Å; F63-L67 HydrophobicContact CD1-CD1 4.28Å; F63-L67 HydrophobicContact CE1-CD1 3.82Å; F63-L67 HydrophobicContact CE2-CD1 4.24Å; F63-L67 HydrophobicContact CE2-CD2 4.43Å; F63-L67 HydrophobicContact CE2-CG 4.35Å; F63-L67 HydrophobicContact CZ-CD1 3.8Å; F63-L67 HydrophobicContact CZ-CG 4.39Å; F63-L67 WeakPolarHBondContact O-CG 3.41Å; F63-L67 PolarHBondContact O-N 2.99Å; T64-L67 PolarHBondContact O-N 3.31Å; L67-L128 HydrophobicContact CB-CD2 4.13Å; L67-R131 HydrophobicContact CD2-CB 4.29Å; L67-R131 WeakPolarHBondContact O-CD 3.21Å; L67-R131 PolarHBondContact O-NH1 3.33Å; L67-F132 HydrophobicContact CD2-CB 3.87Å
68Y96.9Very high92.5Very high173 Ų17346.3 Ų46.368%0.67824%0.236SC*.Hα-helixtrans-85.4-49.4176.4176.2-107.6000112.8T64 L65 F66 R131T64-Y68 WeakPolarHBondContact O-CB 3.4Å; T64-Y68 PolarHBondContact O-N 3.39Å; L65-Y68 PolarHBondContact O-N 2.89Å; F66-Y68 VanDerWaalsContact C-N 3.26Å; F66-Y68 PolarHBondContact O-N 3.11Å; Y68-R131 VanDerWaalsContact O-CZ 3.3Å; Y68-R131 PolarHBondContact O-NH1 3.39Å
69S96.9Very high94Very high22 Ų2240.6 Ų40.615%0.15422%0.224CC..  trans-145.490.4-176.5-177.10000110.5L65 L71 L72 G73L65-S69 CarbonylContact O-C 3.59Å; L65-S69 WeakPolarHBondContact O-CA 3.34Å; L65-S69 PolarHBondContact O-N 3.06Å; L65-S69 VanDerWaalsContact O-O 3.13Å; S69-L71 VanDerWaalsContact C-N 3.31Å; S69-L71 PolarHBondContact O-N 3.15Å; S69-L72 WeakPolarHBondContact O-CB 3.33Å; S69-L72 PolarHBondContact O-N 3.07Å; S69-L72 VanDerWaalsContact OG-CB 3.31Å; S69-L72 WeakPolarHBondContact OG-CB 3.42Å; S69-G73 PolarHBondContact O-N 3.06Å
70P98.2Very high95.1Very high7 Ų732.2 Ų32.25%0.04520%0.196CC..Hα-helixtrans-57-39-175.7-27.733.5000114.3F66 L72 G73 F74 F99 R131 F134F66-P70 WeakPolarHBondContact O-CA 3.44Å; F66-P70 VanDerWaalsContact O-CD 3.3Å; F66-P70 WeakPolarHBondContact O-CD 3.49Å; F66-P70 VanDerWaalsContact O-CG 3.27Å; F66-P70 WeakPolarHBondContact O-CG 3.39Å; P70-L72 VanDerWaalsContact C-N 3.32Å; P70-L72 PolarHBondContact O-N 3.1Å; P70-G73 PolarHBondContact O-N 3.14Å; P70-F74 VanDerWaalsContact O-CB 3.25Å; P70-F74 WeakPolarHBondContact O-CB 3.46Å; P70-F74 PolarHBondContact O-N 2.88Å; P70-F99 HydrophobicContact CB-CE1 4.43Å; P70-F99 HydrophobicContact CB-CZ 3.75Å; P70-F99 HydrophobicContact CG-CE1 4.4Å; P70-F99 HydrophobicContact CG-CE2 4.21Å; P70-F99 HydrophobicContact CG-CZ 3.57Å; P70-R131 HydrophobicContact CG-CB 4.04Å; P70-R131 HydrophobicContact CG-CG 3.53Å; P70-F134 HydrophobicContact CB-CD1 3.74Å; P70-F134 HydrophobicContact CB-CE1 3.95Å
71L98Very high95.3Very high4 Ų435.9 Ų35.92%0.02121%0.214CC..Hα-helixtrans-67.3-35.8178-173.656.9000111.7S69 S75 W88 A91 Q92 L95 L176 L180S69-L71 VanDerWaalsContact C-N 3.31Å; S69-L71 PolarHBondContact O-N 3.15Å; L71-S75 VanDerWaalsContact O-CB 3.3Å; L71-S75 WeakPolarHBondContact O-CB 3.21Å; L71-S75 PolarHBondContact O-N 3.33Å; L71-S75 PolarHBondContact O-OG 3Å; L71-W88 HydrophobicContact CB-CH2 3.97Å; L71-W88 HydrophobicContact CB-CZ2 4.34Å; L71-W88 HydrophobicContact CB-CZ3 4.25Å; L71-W88 HydrophobicContact CD2-CD2 3.57Å; L71-W88 HydrophobicContact CD2-CE3 3.54Å; L71-W88 HydrophobicContact CD2-CG 4.2Å; L71-W88 HydrophobicContact CD2-CH2 3.95Å; L71-W88 HydrophobicContact CD2-CZ2 3.97Å; L71-W88 HydrophobicContact CD2-CZ3 3.75Å; L71-W88 HydrophobicContact CG-CD2 4.36Å; L71-W88 HydrophobicContact CG-CE3 3.87Å; L71-W88 HydrophobicContact CG-CH2 3.81Å; L71-W88 HydrophobicContact CG-CZ2 4.29Å; L71-W88 HydrophobicContact CG-CZ3 3.58Å; L71-A91 HydrophobicContact CD1-CB 3.87Å; L71-A91 HydrophobicContact CD2-CB 3.83Å; L71-Q92 HydrophobicContact CD2-CB 4.46Å; L71-Q92 HydrophobicContact CD2-CG 3.47Å; L71-Q92 VanDerWaalsContact CD2-CG 3.47Å; L71-L95 HydrophobicContact CB-CD1 3.65Å; L71-L95 HydrophobicContact CD1-CD1 3.91Å; L71-L95 HydrophobicContact CG-CD1 4.25Å; L71-L176 HydrophobicContact CD1-CD1 4.1Å; L71-L176 HydrophobicContact CD1-CD2 4.43Å; L71-L180 HydrophobicContact CD1-CD1 4.04Å
72L96.1Very high95.2Very high76 Ų7638.8 Ų38.840%0.39823%0.234SC..Hα-helixtrans-70.9-42.8175.8-171.656.2000111L65 S69 P70 F74 S75 S76 W88L65-L72 HydrophobicContact CD1-CB 4.38Å; L65-L72 HydrophobicContact CD1-CD2 3.74Å; L65-L72 HydrophobicContact CD1-CG 3.97Å; L65-L72 HydrophobicContact CD2-CG 4.37Å; L65-L72 HydrophobicContact CG-CG 4.43Å; S69-L72 WeakPolarHBondContact O-CB 3.33Å; S69-L72 PolarHBondContact O-N 3.07Å; S69-L72 VanDerWaalsContact OG-CB 3.31Å; S69-L72 WeakPolarHBondContact OG-CB 3.42Å; P70-L72 VanDerWaalsContact C-N 3.32Å; P70-L72 PolarHBondContact O-N 3.1Å; L72-F74 VanDerWaalsContact C-N 3.35Å; L72-F74 PolarHBondContact O-N 3.45Å; L72-S75 PolarHBondContact O-N 3.22Å; L72-S76 VanDerWaalsContact O-CB 3.3Å; L72-S76 WeakPolarHBondContact O-CB 3.49Å; L72-S76 PolarHBondContact O-N 2.93Å; L72-W88 HydrophobicContact CB-CH2 4.05Å; L72-W88 HydrophobicContact CD1-CH2 4.41Å
73G96.1Very high95.2Very high0 Ų039.6 Ų39.60%024%0.24CC..Hα-helixtrans-58.9-45.717300000112.1S69 P70 S76 V77S69-G73 PolarHBondContact O-N 3.06Å; P70-G73 PolarHBondContact O-N 3.14Å; G73-S76 PolarHBondContact O-N 3.18Å; G73-V77 PolarHBondContact O-N 3.32Å
74F97.8Very high95.2Very high0 Ų050 Ų500%028%0.279CS..Hα-helixtrans-61.6-46.1175.5-170.5-87000112.1F66 P70 L72 S76 V77 C78 F134 A138 V173 L176 A177 L180 V182 F186F66-F74 HydrophobicContact CE1-CB 4.18Å; F66-F74 HydrophobicContact CZ-CB 4.39Å; P70-F74 VanDerWaalsContact O-CB 3.25Å; P70-F74 WeakPolarHBondContact O-CB 3.46Å; P70-F74 PolarHBondContact O-N 2.88Å; L72-F74 VanDerWaalsContact C-N 3.35Å; L72-F74 PolarHBondContact O-N 3.45Å; F74-S76 VanDerWaalsContact C-N 3.34Å; F74-S76 PolarHBondContact O-N 3.01Å; F74-V77 VanDerWaalsContact O-CG1 3.27Å; F74-V77 WeakPolarHBondContact O-CG1 3.06Å; F74-V77 PolarHBondContact O-N 3.23Å; F74-C78 WeakPolarHBondContact O-CB 3.29Å; F74-C78 PolarHBondContact O-N 3.19Å; F74-C78 VanDerWaalsContact O-N 3.13Å; F74-C78 PolarHBondContact O-SG 2.91Å; F74-F134 HydrophobicContact CB-CE1 4.48Å; F74-F134 HydrophobicContact CD2-CE1 4.35Å; F74-F134 HydrophobicContact CD2-CZ 4.05Å; F74-A138 HydrophobicContact CD2-CB 3.98Å; F74-A138 HydrophobicContact CE2-CB 4.23Å; F74-V173 HydrophobicContact CE2-CG1 4.04Å; F74-L176 HydrophobicContact CD1-CD2 3.88Å; F74-L176 HydrophobicContact CD1-CG 4.26Å; F74-L176 HydrophobicContact CD2-CD2 4.04Å; F74-L176 HydrophobicContact CE1-CD2 4.04Å; F74-L176 HydrophobicContact CE1-CG 4.03Å; F74-L176 HydrophobicContact CE2-CD2 4.18Å; F74-L176 HydrophobicContact CG-CD2 3.88Å; F74-L176 HydrophobicContact CZ-CD2 4.17Å; F74-L176 HydrophobicContact CZ-CG 4.28Å; F74-A177 HydrophobicContact CZ-CB 4Å; F74-L180 HydrophobicContact CD1-CD1 3.75Å; F74-L180 HydrophobicContact CE1-CD1 3.87Å; F74-V182 HydrophobicContact CE1-CG2 4.12Å; F74-F186 HydrophobicContact CD2-CZ 4.39Å; F74-F186 HydrophobicContact CE1-CE2 4.42Å; F74-F186 HydrophobicContact CE1-CZ 4.2Å; F74-F186 AromaticContact CE2-CE1 3.82Å; F74-F186 HydrophobicContact CE2-CE1 3.82Å; F74-F186 HydrophobicContact CE2-CE2 4.25Å; F74-F186 AromaticContact CE2-CZ 3.37Å; F74-F186 HydrophobicContact CE2-CZ 3.37Å; F74-F186 HydrophobicContact CZ-CE1 4.08Å; F74-F186 AromaticContact CZ-CE2 3.68Å; F74-F186 HydrophobicContact CZ-CE2 3.68Å; F74-F186 AromaticContact CZ-CZ 3.26Å; F74-F186 HydrophobicContact CZ-CZ 3.26Å
75S95.9Very high95.1Very high4 Ų456.1 Ų56.13%0.02829%0.294CS..Hα-helixtrans-63.3-42.1177.7-58.80000111.5L71 L72 C78 G79 L80L71-S75 VanDerWaalsContact O-CB 3.3Å; L71-S75 WeakPolarHBondContact O-CB 3.21Å; L71-S75 PolarHBondContact O-N 3.33Å; L71-S75 PolarHBondContact O-OG 3Å; L72-S75 PolarHBondContact O-N 3.22Å; S75-C78 CarbonylContact O-C 3.52Å; S75-C78 PolarHBondContact O-N 3.23Å; S75-G79 PolarHBondContact O-N 3.14Å; S75-L80 WeakPolarHBondContact O-CB 3.38Å; S75-L80 PolarHBondContact O-N 2.92Å
76S93.7Very high95.2Very high34 Ų3455.6 Ų55.624%0.23830%0.3CS..Hα-helixtrans-63.3-45.2179.3-168.50000111.9Q56 L72 G73 F74 C78 G79Q56-S76 PolarHBondContact OE1-OG 2.56Å; L72-S76 VanDerWaalsContact O-CB 3.3Å; L72-S76 WeakPolarHBondContact O-CB 3.49Å; L72-S76 PolarHBondContact O-N 2.93Å; G73-S76 PolarHBondContact O-N 3.18Å; F74-S76 VanDerWaalsContact C-N 3.34Å; F74-S76 PolarHBondContact O-N 3.01Å; S76-C78 VanDerWaalsContact C-N 3.26Å; S76-C78 PolarHBondContact O-N 2.78Å; S76-G79 PolarHBondContact O-N 3.05Å; S76-G79 VanDerWaalsContact O-N 3.09Å
77V94.3Very high95.2Very high9 Ų957.5 Ų57.56%0.05531%0.31CS..Hα-helixtrans-67.4-30.6179.578.50000111.9V53 L62 F66 G73 F74 G79 L139 H142 F145V53-V77 HydrophobicContact CG2-CG2 4.38Å; L62-V77 HydrophobicContact CD2-CB 4.46Å; L62-V77 HydrophobicContact CD2-CG2 4.2Å; F66-V77 HydrophobicContact CZ-CG1 4.18Å; G73-V77 PolarHBondContact O-N 3.32Å; F74-V77 VanDerWaalsContact O-CG1 3.27Å; F74-V77 WeakPolarHBondContact O-CG1 3.06Å; F74-V77 PolarHBondContact O-N 3.23Å; V77-G79 PolarHBondContact O-N 2.88Å; V77-L139 HydrophobicContact CG2-CD2 4.09Å; V77-H142 PolarHBondContact O-NE2 2.82Å; V77-F145 HydrophobicContact CG2-CD2 4.47Å; V77-F145 HydrophobicContact CG2-CE2 3.28Å; V77-F145 HydrophobicContact CG2-CZ 3.51Å
78C95.4Very high95.2Very high13 Ų1360 Ų609%0.08832%0.319CS..THydrogen-bonded Turntrans-79.30.5174.2-60.90000113.8F74 S75 S76 L80 V182 L185F74-C78 WeakPolarHBondContact O-CB 3.29Å; F74-C78 PolarHBondContact O-N 3.19Å; F74-C78 VanDerWaalsContact O-N 3.13Å; F74-C78 PolarHBondContact O-SG 2.91Å; S75-C78 CarbonylContact O-C 3.52Å; S75-C78 PolarHBondContact O-N 3.23Å; S76-C78 VanDerWaalsContact C-N 3.26Å; S76-C78 PolarHBondContact O-N 2.78Å; C78-L80 VanDerWaalsContact C-N 3.3Å; C78-L80 HydrophobicContact CB-CD1 4.46Å; C78-L80 HydrophobicContact CB-CG 4.21Å; C78-L80 PolarHBondContact O-N 2.77Å; C78-V182 HydrophobicContact CB-CB 4.15Å; C78-V182 HydrophobicContact CB-CG1 4.08Å; C78-V182 HydrophobicContact CB-CG2 4.05Å; C78-L185 HydrophobicContact CB-CD1 3.81Å
79G93.1Very high95.2Very high55 Ų5556.3 Ų56.357%0.56731%0.308SS*.THydrogen-bonded Turntrans72.917.5-179.700000114.8S75 S76 V77 S81S75-G79 PolarHBondContact O-N 3.14Å; S76-G79 PolarHBondContact O-N 3.05Å; S76-G79 VanDerWaalsContact O-N 3.09Å; V77-G79 PolarHBondContact O-N 2.88Å; G79-S81 PolarHBondContact O-N 2.78Å
80L92.6Very high95.3Very high51 Ų5162.7 Ų62.727%0.26733%0.328SS..  trans-77.6116.5178-62177000110.2S75 C78 V83 L180 V182S75-L80 WeakPolarHBondContact O-CB 3.38Å; S75-L80 PolarHBondContact O-N 2.92Å; C78-L80 VanDerWaalsContact C-N 3.3Å; C78-L80 HydrophobicContact CB-CD1 4.46Å; C78-L80 HydrophobicContact CB-CG 4.21Å; C78-L80 PolarHBondContact O-N 2.77Å; L80-V83 HydrophobicContact CB-CG2 4.5Å; L80-V83 HydrophobicContact CD1-CG2 4.18Å; L80-L180 HydrophobicContact CD1-CB 4.13Å; L80-L180 HydrophobicContact CD1-CD1 4.24Å; L80-V182 HydrophobicContact CD1-CG1 4.09Å; L80-V182 HydrophobicContact CD2-CG1 3.76Å; L80-V182 HydrophobicContact CG-CG1 4.07Å
81S86.6Confident95.3Very high124 Ų12462.4 Ų62.487%0.86733%0.326SS*.SBendtrans-79.2-28.7177.858.10000113.2G79G79-S81 PolarHBondContact O-N 2.78Å
82S90.2Very high95.3Very high100 Ų10065.5 Ų65.570%0.69934%0.341SS*.  trans-156.1149.7175.465.90000110.8
83V93.3Very high95.4Very high35 Ų3565.6 Ų65.621%0.21234%0.342CS..  trans-123.3133.1174.5-178.90000107.7L80 R85 L87 W88 L180L80-V83 HydrophobicContact CB-CG2 4.5Å; L80-V83 HydrophobicContact CD1-CG2 4.18Å; V83-R85 PolarHBondContact O-N 3.39Å; V83-L87 HydrophobicContact CG1-CB 4.11Å; V83-L87 HydrophobicContact CG1-CD2 4.17Å; V83-L87 HydrophobicContact CG1-CG 4.12Å; V83-W88 HydrophobicContact CB-CE3 4.09Å; V83-W88 HydrophobicContact CG1-CB 4.08Å; V83-W88 HydrophobicContact CG1-CE3 4.46Å; V83-W88 HydrophobicContact CG2-CE3 4.38Å; V83-L180 HydrophobicContact CG1-CD2 3.98Å
84R95.4Very high95.6Very high218 Ų21866.6 Ų66.682%0.82335%0.346SS*.  trans-57.4134.8177.7-65.1-178.1-176.7178.32.6109.6G86 L87 W88R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.38Å; R84-G86 VanDerWaalsContact O-N 3.17Å; R84-L87 HydrophobicContact CB-CB 4.43Å; R84-L87 WeakPolarHBondContact O-CA 3.45Å; R84-L87 WeakPolarHBondContact O-CB 3.38Å; R84-L87 PolarHBondContact O-N 3.44Å; R84-W88 PolarHBondContact O-N 3.07Å
85R95.9Very high95.6Very high199 Ų19966.8 Ų66.875%0.75135%0.347SS*.Hα-helixtrans-48-49.3-175.5-173.1-178.471.3-168.3-0.1113.7V83 L87 W88 E89V83-R85 PolarHBondContact O-N 3.39Å; R85-L87 VanDerWaalsContact C-N 3.27Å; R85-L87 PolarHBondContact O-N 3.19Å; R85-W88 WeakPolarHBondContact O-CB 3.41Å; R85-W88 PolarHBondContact O-N 3.4Å; R85-E89 WeakPolarHBondContact CG-OE1 3.4Å; R85-E89 IonicContact NE-OE1 2.66Å; R85-E89 WeakPolarHBondContact O-CG 3.47Å; R85-E89 PolarHBondContact O-N 3.08Å
86G97.3Very high95.7Very high35 Ų3573.4 Ų73.436%0.36137%0.372SS..Hα-helixtrans-68.3-23-179.700000114.3R84 R90R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.38Å; R84-G86 VanDerWaalsContact O-N 3.17Å; G86-R90 WeakPolarHBondContact O-CG 3.41Å; G86-R90 PolarHBondContact O-NE 2.87Å
87L97.3Very high95.9Very high40 Ų4077.4 Ų77.421%0.20938%0.384CS..Hα-helixtrans-80.3-39.6171-177.459000110.9V83 R84 R85 R90 A91 M179 L180V83-L87 HydrophobicContact CG1-CB 4.11Å; V83-L87 HydrophobicContact CG1-CD2 4.17Å; V83-L87 HydrophobicContact CG1-CG 4.12Å; R84-L87 HydrophobicContact CB-CB 4.43Å; R84-L87 WeakPolarHBondContact O-CA 3.45Å; R84-L87 WeakPolarHBondContact O-CB 3.38Å; R84-L87 PolarHBondContact O-N 3.44Å; R85-L87 VanDerWaalsContact C-N 3.27Å; R85-L87 PolarHBondContact O-N 3.19Å; L87-R90 PolarHBondContact O-N 3.48Å; L87-A91 WeakPolarHBondContact O-CB 3.42Å; L87-A91 PolarHBondContact O-N 3.22Å; L87-M179 WeakPolarHBondContact CD1-O 3.38Å; L87-L180 HydrophobicContact CD2-CD2 4.02Å; L87-L180 HydrophobicContact CG-CD2 4.05Å
88W97.6Very high96.2Very high61 Ų6177 Ų7723%0.23138%0.382CS..Hα-helixtrans-57.3-49174.7177-87.3000112.1L71 L72 V83 R84 R85 R90 A91 Q92L71-W88 HydrophobicContact CB-CH2 3.97Å; L71-W88 HydrophobicContact CB-CZ2 4.34Å; L71-W88 HydrophobicContact CB-CZ3 4.25Å; L71-W88 HydrophobicContact CD2-CD2 3.57Å; L71-W88 HydrophobicContact CD2-CE3 3.54Å; L71-W88 HydrophobicContact CD2-CG 4.2Å; L71-W88 HydrophobicContact CD2-CH2 3.95Å; L71-W88 HydrophobicContact CD2-CZ2 3.97Å; L71-W88 HydrophobicContact CD2-CZ3 3.75Å; L71-W88 HydrophobicContact CG-CD2 4.36Å; L71-W88 HydrophobicContact CG-CE3 3.87Å; L71-W88 HydrophobicContact CG-CH2 3.81Å; L71-W88 HydrophobicContact CG-CZ2 4.29Å; L71-W88 HydrophobicContact CG-CZ3 3.58Å; L72-W88 HydrophobicContact CB-CH2 4.05Å; L72-W88 HydrophobicContact CD1-CH2 4.41Å; V83-W88 HydrophobicContact CB-CE3 4.09Å; V83-W88 HydrophobicContact CG1-CB 4.08Å; V83-W88 HydrophobicContact CG1-CE3 4.46Å; V83-W88 HydrophobicContact CG2-CE3 4.38Å; R84-W88 PolarHBondContact O-N 3.07Å; R85-W88 WeakPolarHBondContact O-CB 3.41Å; R85-W88 PolarHBondContact O-N 3.4Å; W88-R90 PolarHBondContact O-N 3.48Å; W88-A91 PolarHBondContact O-N 2.99Å; W88-Q92 VanDerWaalsContact NE1-NE2 3.19Å; W88-Q92 WeakPolarHBondContact O-CG 3.02Å; W88-Q92 PolarHBondContact O-N 3.28Å
89E98.2Very high96.3Very high95 Ų9578.1 Ų78.144%0.44439%0.385SS..Hα-helixtrans-58.9-45.4177.6-72.2166.2-179.300111.6R85 A91 Q92 D93R85-E89 WeakPolarHBondContact CG-OE1 3.4Å; R85-E89 IonicContact NE-OE1 2.66Å; R85-E89 WeakPolarHBondContact O-CG 3.47Å; R85-E89 PolarHBondContact O-N 3.08Å; E89-A91 PolarHBondContact O-N 3.43Å; E89-Q92 PolarHBondContact O-N 2.88Å; E89-D93 PolarHBondContact O-N 3.09Å
90R98.4Very high96.6Very high157 Ų15782.4 Ų82.459%0.59238%0.384SS*.Hα-helixtrans-62-42.9176.3-75.4-177.9-76.8167-3112.5G86 L87 W88 D93 F94 M179G86-R90 WeakPolarHBondContact O-CG 3.41Å; G86-R90 PolarHBondContact O-NE 2.87Å; L87-R90 PolarHBondContact O-N 3.48Å; W88-R90 PolarHBondContact O-N 3.48Å; R90-D93 PolarHBondContact O-N 3.03Å; R90-F94 WeakPolarHBondContact O-CB 3.44Å; R90-F94 PolarHBondContact O-N 3.18Å; R90-M179 HydrophobicContact CB-CE 4.08Å
91A98.5Very high96.8Very high0 Ų082 Ų820%038%0.383CS..Hα-helixtrans-66.4-36.8176.800000112L71 L87 W88 E89 F94 L95 L176 M179 L180L71-A91 HydrophobicContact CD1-CB 3.87Å; L71-A91 HydrophobicContact CD2-CB 3.83Å; L87-A91 WeakPolarHBondContact O-CB 3.42Å; L87-A91 PolarHBondContact O-N 3.22Å; W88-A91 PolarHBondContact O-N 2.99Å; E89-A91 PolarHBondContact O-N 3.43Å; A91-F94 PolarHBondContact O-N 2.97Å; A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 3.46Å; A91-L176 HydrophobicContact CB-CD1 3.81Å; A91-M179 HydrophobicContact CB-CE 4.31Å; A91-L180 HydrophobicContact CB-CD2 4.35Å
92Q98.1Very high97.4Very high69 Ų6976.1 Ų76.132%0.32234%0.341SS..Hα-helixtrans-64.4-44.2172.7-74.8-163.2-36.600111.8L71 W88 E89 F94 L95 R96L71-Q92 HydrophobicContact CD2-CB 4.46Å; L71-Q92 HydrophobicContact CD2-CG 3.47Å; L71-Q92 VanDerWaalsContact CD2-CG 3.47Å; W88-Q92 VanDerWaalsContact NE1-NE2 3.19Å; W88-Q92 WeakPolarHBondContact O-CG 3.02Å; W88-Q92 PolarHBondContact O-N 3.28Å; E89-Q92 PolarHBondContact O-N 2.88Å; Q92-F94 VanDerWaalsContact C-N 3.32Å; Q92-F94 PolarHBondContact O-N 2.98Å; Q92-L95 PolarHBondContact O-N 3.39Å; Q92-R96 WeakPolarHBondContact O-CG 3.39Å; Q92-R96 PolarHBondContact O-N 2.77Å
93D98.6Very high97.7Very high79 Ų7971.8 Ų71.842%0.42231%0.313SS..Hα-helixtrans-64.6-37.8176.9-77.3-27000112.3E89 R90 R96 K97E89-D93 PolarHBondContact O-N 3.09Å; R90-D93 PolarHBondContact O-N 3.03Å; D93-R96 PolarHBondContact O-N 3.42Å; D93-R96 IonicContact OD1-CZ 3.87Å; D93-R96 IonicContact OD1-NE 2.76Å; D93-R96 IonicContact OD1-NH1 3.55Å; D93-R96 PolarHBondContact OD1-NH1 3.48Å; D93-K97 PolarHBondContact O-N 3.05Å
94F98.8Very high97.9Very high20 Ų2074 Ų749%0.08832%0.321CS..Hα-helixtrans-60.2-50.2170.8178.1-102.1000111.4R90 A91 Q92 R96 K97 V98 Q172 E175 L176 M179R90-F94 WeakPolarHBondContact O-CB 3.44Å; R90-F94 PolarHBondContact O-N 3.18Å; A91-F94 PolarHBondContact O-N 2.97Å; Q92-F94 VanDerWaalsContact C-N 3.32Å; Q92-F94 PolarHBondContact O-N 2.98Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.44Å; F94-K97 WeakPolarHBondContact O-CA 3.5Å; F94-K97 VanDerWaalsContact O-CB 3.26Å; F94-K97 WeakPolarHBondContact O-CB 3.39Å; F94-K97 PolarHBondContact O-N 3.01Å; F94-V98 HydrophobicContact CD1-CG2 4Å; F94-V98 HydrophobicContact CE1-CG2 3.55Å; F94-V98 HydrophobicContact CE2-CG2 4.49Å; F94-V98 HydrophobicContact CZ-CG2 3.83Å; F94-V98 PolarHBondContact O-N 3.47Å; F94-V98 VanDerWaalsContact O-N 3.15Å; F94-Q172 VanDerWaalsContact CE1-O 3.29Å; F94-Q172 WeakPolarHBondContact CE1-O 3.3Å; F94-Q172 HydrophobicContact CZ-CB 4.19Å; F94-Q172 HydrophobicContact CZ-CG 4.4Å; F94-E175 HydrophobicContact CE1-CB 4.46Å; F94-E175 HydrophobicContact CE2-CB 4.42Å; F94-E175 HydrophobicContact CE2-CG 3.94Å; F94-E175 WeakPolarHBondContact CE2-OE1 3.17Å; F94-E175 VanDerWaalsContact CE2-OE2 3.3Å; F94-E175 WeakPolarHBondContact CE2-OE2 3.44Å; F94-E175 HydrophobicContact CZ-CB 3.83Å; F94-E175 HydrophobicContact CZ-CG 3.84Å; F94-E175 WeakPolarHBondContact CZ-OE2 2.95Å; F94-L176 HydrophobicContact CD1-CB 4.17Å; F94-L176 HydrophobicContact CD1-CD1 4.24Å; F94-L176 HydrophobicContact CE1-CB 3.93Å; F94-M179 HydrophobicContact CB-CE 4.2Å; F94-M179 HydrophobicContact CB-SD 3.96Å; F94-M179 HydrophobicContact CD1-SD 4.17Å; F94-M179 HydrophobicContact CD2-SD 4.29Å; F94-M179 HydrophobicContact CG-SD 3.87Å
95L98.5Very high97.9Very high5 Ų565.2 Ų65.23%0.02629%0.289CS..Hα-helixtrans-60.1-33.3177.8-82.2171.8000113.3L71 A91 Q92 K97 V98 F99 F134 L176L71-L95 HydrophobicContact CB-CD1 3.65Å; L71-L95 HydrophobicContact CD1-CD1 3.91Å; L71-L95 HydrophobicContact CG-CD1 4.25Å; A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 3.46Å; Q92-L95 PolarHBondContact O-N 3.39Å; L95-K97 PolarHBondContact O-N 3.04Å; L95-V98 HydrophobicContact CD2-CB 4.5Å; L95-V98 PolarHBondContact O-N 3.41Å; L95-F99 HydrophobicContact CB-CE1 4.44Å; L95-F99 HydrophobicContact CB-CE2 4.26Å; L95-F99 HydrophobicContact CB-CZ 4.03Å; L95-F99 HydrophobicContact CD2-CE1 3.94Å; L95-F99 HydrophobicContact CD2-CZ 4.07Å; L95-F99 HydrophobicContact CG-CZ 4.46Å; L95-F99 WeakPolarHBondContact O-CB 3.46Å; L95-F99 WeakPolarHBondContact O-CD1 3.33Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 WeakPolarHBondContact O-CG 3.48Å; L95-F99 PolarHBondContact O-N 2.81Å; L95-F134 HydrophobicContact CD2-CD2 4Å; L95-F134 HydrophobicContact CD2-CE1 4.06Å; L95-F134 HydrophobicContact CD2-CE2 3.44Å; L95-F134 VanDerWaalsContact CD2-CE2 3.44Å; L95-F134 HydrophobicContact CD2-CZ 3.49Å; L95-F134 VanDerWaalsContact CD2-CZ 3.49Å; L95-L176 HydrophobicContact CD1-CD2 4.2Å; L95-L176 HydrophobicContact CD2-CD2 3.99Å; L95-L176 HydrophobicContact CG-CD2 4.18Å
96R98.6Very high97.9Very high143 Ų14355.9 Ų55.954%0.5425%0.254SS..Hα-helixtrans-60.7-31.6172.1-70.9171.4-175.7170.6-6.2112.2Q92 D93 F94 R100Q92-R96 WeakPolarHBondContact O-CG 3.39Å; Q92-R96 PolarHBondContact O-N 2.77Å; D93-R96 PolarHBondContact O-N 3.42Å; D93-R96 IonicContact OD1-CZ 3.87Å; D93-R96 IonicContact OD1-NE 2.76Å; D93-R96 IonicContact OD1-NH1 3.55Å; D93-R96 PolarHBondContact OD1-NH1 3.48Å; F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 PolarHBondContact O-N 3.44Å; R96-R100 WeakPolarHBondContact O-CG 3.3Å; R96-R100 PolarHBondContact O-N 3.45Å; R96-R100 PolarHBondContact O-NH1 3.09Å; R96-R100 VanDerWaalsContact O-NH1 3.14Å
97K98.3Very high97.8Very high117 Ų11757.4 Ų57.451%0.50926%0.257SS..Hα-helixtrans-70.3-51.6173-50-174.6179.3172.90110.2D93 F94 L95 F99 R100 D101D93-K97 PolarHBondContact O-N 3.05Å; F94-K97 WeakPolarHBondContact O-CA 3.5Å; F94-K97 VanDerWaalsContact O-CB 3.26Å; F94-K97 WeakPolarHBondContact O-CB 3.39Å; F94-K97 PolarHBondContact O-N 3.01Å; L95-K97 PolarHBondContact O-N 3.04Å; K97-F99 VanDerWaalsContact C-N 3.26Å; K97-F99 PolarHBondContact O-N 3.33Å; K97-R100 WeakPolarHBondContact O-CB 3.49Å; K97-R100 PolarHBondContact O-N 3.35Å; K97-D101 PolarHBondContact O-N 3.49Å; K97-D101 VanDerWaalsContact O-N 3.14Å
98V98.7Very high97.5Very high0 Ų064.3 Ų64.30%028%0.28CS..Hα-helixtrans-52.4-43.7176.6178.80000111.7F94 L95 R100 D101 I102 F134 L169 Q172F94-V98 HydrophobicContact CD1-CG2 4Å; F94-V98 HydrophobicContact CE1-CG2 3.55Å; F94-V98 HydrophobicContact CE2-CG2 4.49Å; F94-V98 HydrophobicContact CZ-CG2 3.83Å; F94-V98 PolarHBondContact O-N 3.47Å; F94-V98 VanDerWaalsContact O-N 3.15Å; L95-V98 HydrophobicContact CD2-CB 4.5Å; L95-V98 PolarHBondContact O-N 3.41Å; V98-R100 VanDerWaalsContact C-N 3.33Å; V98-R100 PolarHBondContact O-N 2.86Å; V98-D101 PolarHBondContact O-N 3.22Å; V98-D101 VanDerWaalsContact O-N 3.11Å; V98-I102 HydrophobicContact CG1-CD1 4Å; V98-I102 HydrophobicContact CG1-CG1 4.41Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.3Å; V98-F134 HydrophobicContact CG1-CD2 4.08Å; V98-F134 HydrophobicContact CG1-CE2 4.47Å; V98-L169 HydrophobicContact CG1-CD1 3.75Å; V98-Q172 HydrophobicContact CG1-CB 4.32Å; V98-Q172 HydrophobicContact CG2-CB 3.84Å; V98-Q172 HydrophobicContact CG2-CG 4.12Å
99F98.6Very high97.1Very high37 Ų3762.7 Ų62.716%0.16228%0.278CS..Hα-helixtrans-65.5-32.7179.3-69-8.4000113.6P70 L95 K97 I102 G103 I130 F134P70-F99 HydrophobicContact CB-CE1 4.43Å; P70-F99 HydrophobicContact CB-CZ 3.75Å; P70-F99 HydrophobicContact CG-CE1 4.4Å; P70-F99 HydrophobicContact CG-CE2 4.21Å; P70-F99 HydrophobicContact CG-CZ 3.57Å; L95-F99 HydrophobicContact CB-CE1 4.44Å; L95-F99 HydrophobicContact CB-CE2 4.26Å; L95-F99 HydrophobicContact CB-CZ 4.03Å; L95-F99 HydrophobicContact CD2-CE1 3.94Å; L95-F99 HydrophobicContact CD2-CZ 4.07Å; L95-F99 HydrophobicContact CG-CZ 4.46Å; L95-F99 WeakPolarHBondContact O-CB 3.46Å; L95-F99 WeakPolarHBondContact O-CD1 3.33Å; L95-F99 WeakPolarHBondContact O-CD2 3.44Å; L95-F99 WeakPolarHBondContact O-CG 3.48Å; L95-F99 PolarHBondContact O-N 2.81Å; K97-F99 VanDerWaalsContact C-N 3.26Å; K97-F99 PolarHBondContact O-N 3.33Å; F99-I102 HydrophobicContact CD1-CD1 4.31Å; F99-G103 PolarHBondContact O-N 3.18Å; F99-I130 HydrophobicContact CB-CG2 3.56Å; F99-I130 HydrophobicContact CD1-CG2 3.58Å; F99-I130 HydrophobicContact CD2-CG2 4.47Å; F99-I130 HydrophobicContact CE1-CG2 4.47Å; F99-I130 HydrophobicContact CG-CG2 3.6Å; F99-F134 HydrophobicContact CE1-CB 4.04Å; F99-F134 HydrophobicContact CE1-CD1 4.43Å; F99-F134 HydrophobicContact CE1-CD2 4.32Å; F99-F134 AromaticContact CE1-CG 3.99Å; F99-F134 HydrophobicContact CE1-CG 3.99Å
100R98.3Very high96.7Very high145 Ų14569.8 Ų69.855%0.54730%0.301SS..Hα-helixtrans-67.7-40171.8-69.8-172.5-56.5-95.410.1111R96 K97 V98 G103 Q104R96-R100 WeakPolarHBondContact O-CG 3.3Å; R96-R100 PolarHBondContact O-N 3.45Å; R96-R100 PolarHBondContact O-NH1 3.09Å; R96-R100 VanDerWaalsContact O-NH1 3.14Å; K97-R100 WeakPolarHBondContact O-CB 3.49Å; K97-R100 PolarHBondContact O-N 3.35Å; V98-R100 VanDerWaalsContact C-N 3.33Å; V98-R100 PolarHBondContact O-N 2.86Å; R100-G103 PolarHBondContact O-N 3.36Å; R100-Q104 WeakPolarHBondContact O-CG 3.33Å; R100-Q104 PolarHBondContact O-N 3.32Å
101D98.2Very high96.5Very high43 Ų4365.2 Ų65.223%0.2329%0.293CS..Hα-helixtrans-67.3-44.2179.6-60-27000111.2K97 V98 G103 Q104 M105 L168 Q172K97-D101 PolarHBondContact O-N 3.49Å; K97-D101 VanDerWaalsContact O-N 3.14Å; V98-D101 PolarHBondContact O-N 3.22Å; V98-D101 VanDerWaalsContact O-N 3.11Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.37Å; D101-Q104 WeakPolarHBondContact O-CB 3.23Å; D101-Q104 PolarHBondContact O-N 3.48Å; D101-Q104 VanDerWaalsContact O-N 3.12Å; D101-M105 WeakPolarHBondContact O-CG 3.3Å; D101-M105 PolarHBondContact O-N 3.49Å; D101-L168 HydrophobicContact CB-CD2 4.3Å; D101-Q172 PolarHBondContact OD2-NE2 3.5Å
102I98.4Very high96.3Very high0 Ų065.4 Ų65.40%029%0.294CS..Hα-helixtrans-57.3-44.9171.1-67.4172.2000110.8V98 F99 Q104 M105 L106 I130 V133 F134 L169V98-I102 HydrophobicContact CG1-CD1 4Å; V98-I102 HydrophobicContact CG1-CG1 4.41Å; V98-I102 WeakPolarHBondContact O-CG1 3.44Å; V98-I102 PolarHBondContact O-N 3.3Å; F99-I102 HydrophobicContact CD1-CD1 4.31Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 2.91Å; I102-M105 WeakPolarHBondContact O-CB 3.39Å; I102-M105 PolarHBondContact O-N 2.79Å; I102-L106 HydrophobicContact CG2-CD1 3.98Å; I102-L106 HydrophobicContact CG2-CG 4.33Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 WeakPolarHBondContact O-CG 3.15Å; I102-L106 PolarHBondContact O-N 3.21Å; I102-I130 HydrophobicContact CB-CG2 4.12Å; I102-I130 HydrophobicContact CD1-CG2 4.34Å; I102-I130 HydrophobicContact CG2-CB 4.19Å; I102-I130 HydrophobicContact CG2-CG1 4.13Å; I102-I130 HydrophobicContact CG2-CG2 3.99Å; I102-V133 HydrophobicContact CD1-CG1 4.21Å; I102-V133 HydrophobicContact CG1-CG1 4.22Å; I102-V133 HydrophobicContact CG2-CB 3.73Å; I102-V133 HydrophobicContact CG2-CG1 3.73Å; I102-V133 HydrophobicContact CG2-CG2 4.21Å; I102-F134 HydrophobicContact CD1-CB 3.81Å; I102-L169 HydrophobicContact CD1-CD1 3.84Å; I102-L169 HydrophobicContact CD1-CD2 4.31Å; I102-L169 HydrophobicContact CG1-CD1 3.98Å; I102-L169 HydrophobicContact CG1-CD2 4.29Å
103G97.6Very high96.2Very high9 Ų965.9 Ų65.99%0.09330%0.299CS..Hα-helixtrans-60.4-37.817700000113.1F99 R100 D101 T107F99-G103 PolarHBondContact O-N 3.18Å; R100-G103 PolarHBondContact O-N 3.36Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.37Å; G103-T107 WeakPolarHBondContact O-CG2 3.39Å; G103-T107 PolarHBondContact O-N 2.91Å; G103-T107 PolarHBondContact O-OG1 3.47Å
104Q96.3Very high96Very high82 Ų8267.5 Ų67.538%0.38330%0.304SS..Hα-helixtrans-68.9-41.4173.9-70.4-178.72100112.1R100 D101 I102 L106 T107 R108R100-Q104 WeakPolarHBondContact O-CG 3.33Å; R100-Q104 PolarHBondContact O-N 3.32Å; D101-Q104 WeakPolarHBondContact O-CB 3.23Å; D101-Q104 PolarHBondContact O-N 3.48Å; D101-Q104 VanDerWaalsContact O-N 3.12Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 2.91Å; Q104-L106 VanDerWaalsContact C-N 3.33Å; Q104-L106 PolarHBondContact O-N 3.01Å; Q104-T107 PolarHBondContact O-N 3.35Å; Q104-T107 PolarHBondContact O-OG1 3.39Å; Q104-R108 VanDerWaalsContact O-CB 3.26Å; Q104-R108 WeakPolarHBondContact O-CB 3.38Å; Q104-R108 VanDerWaalsContact O-CG 3.3Å; Q104-R108 WeakPolarHBondContact O-CG 3.4Å; Q104-R108 PolarHBondContact O-N 3.25Å
105M95.2Very high95.9Very high33 Ų3366.9 Ų66.916%0.16330%0.302CS..Hα-helixtrans-59.1-46.4175.5-69.6168.859.300111D101 I102 T107 S109 D162 T163 S166D101-M105 WeakPolarHBondContact O-CG 3.3Å; D101-M105 PolarHBondContact O-N 3.49Å; I102-M105 WeakPolarHBondContact O-CB 3.39Å; I102-M105 PolarHBondContact O-N 2.79Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 3.15Å; M105-S109 WeakPolarHBondContact O-CB 3.28Å; M105-S109 PolarHBondContact O-N 3.43Å; M105-D162 WeakPolarHBondContact CE-O 3.06Å; M105-T163 WeakPolarHBondContact CE-O 3.3Å; M105-S166 VanDerWaalsContact CE-CB 3.43Å; M105-S166 WeakPolarHBondContact CE-OG 3.26Å
106L95.9Very high95.8Very high4 Ų466.9 Ų66.92%0.02130%0.302CS..Hα-helixtrans-63-34.4179.8-74174.6000113.2I102 Q104 I112 L117 F120 L129 I130 V133 L158 T163I102-L106 HydrophobicContact CG2-CD1 3.98Å; I102-L106 HydrophobicContact CG2-CG 4.33Å; I102-L106 WeakPolarHBondContact O-CB 3.44Å; I102-L106 WeakPolarHBondContact O-CG 3.15Å; I102-L106 PolarHBondContact O-N 3.21Å; Q104-L106 VanDerWaalsContact C-N 3.33Å; Q104-L106 PolarHBondContact O-N 3.01Å; L106-I112 HydrophobicContact CB-CD1 4.49Å; L106-I112 HydrophobicContact CD2-CD1 3.83Å; L106-I112 WeakPolarHBondContact O-CD1 3.07Å; L106-L117 VanDerWaalsContact O-CD2 3.22Å; L106-L117 WeakPolarHBondContact O-CD2 2.92Å; L106-F120 HydrophobicContact CB-CD2 4.33Å; L106-F120 HydrophobicContact CB-CE2 3.99Å; L106-F120 HydrophobicContact CD1-CD2 4.17Å; L106-F120 HydrophobicContact CD1-CE2 3.73Å; L106-L129 HydrophobicContact CD1-CB 4.22Å; L106-I130 HydrophobicContact CD1-CG1 4.32Å; L106-V133 HydrophobicContact CD1-CG2 4.27Å; L106-V133 HydrophobicContact CD2-CG2 4.12Å; L106-L158 HydrophobicContact CD2-CD2 4.29Å; L106-T163 HydrophobicContact CD2-CG2 4.49Å
107T95Very high95.7Very high67 Ų6762.3 Ų62.341%0.41129%0.288SS..Hα-helixtrans-93.7-21.6-174.650.70000114.5G103 Q104 M105 L117 F120G103-T107 WeakPolarHBondContact O-CG2 3.39Å; G103-T107 PolarHBondContact O-N 2.91Å; G103-T107 PolarHBondContact O-OG1 3.47Å; Q104-T107 PolarHBondContact O-N 3.35Å; Q104-T107 PolarHBondContact O-OG1 3.39Å; M105-T107 VanDerWaalsContact C-N 3.31Å; M105-T107 PolarHBondContact O-N 3.15Å; T107-L117 HydrophobicContact CG2-CD2 4.45Å; T107-F120 HydrophobicContact CG2-CD1 3.54Å; T107-F120 HydrophobicContact CG2-CE1 3.4Å; T107-F120 HydrophobicContact CG2-CG 4.18Å; T107-F120 HydrophobicContact CG2-CZ 3.92Å
108R91.7Very high95.5Very high184 Ų18462.5 Ų62.569%0.69429%0.291SS*.Hα-helixtrans-97.3-23-177.7-68.1179.3174.61720.7113.7Q104 R110Q104-R108 VanDerWaalsContact O-CB 3.26Å; Q104-R108 WeakPolarHBondContact O-CB 3.38Å; Q104-R108 VanDerWaalsContact O-CG 3.3Å; Q104-R108 WeakPolarHBondContact O-CG 3.4Å; Q104-R108 PolarHBondContact O-N 3.25Å; R108-R110 PolarHBondContact O-N 3.3Å
109S89.3Confident95.5Very high27 Ų2763.4 Ų63.419%0.18930%0.295CS..  trans-71.7131.6-178.7-174.70000111.6M105 S111M105-S109 WeakPolarHBondContact O-CB 3.28Å; M105-S109 PolarHBondContact O-N 3.43Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact OG-N 2.85Å; S109-S111 PolarHBondContact OG-OG 3.49Å
110R90.5Very high95.4Very high244 Ų24462.7 Ų62.792%0.92129%0.292SS*.SBendtrans-83-13.5174-62.8-176.7-179179.20.2112.9R108 I112R108-R110 PolarHBondContact O-N 3.3Å; R110-I112 VanDerWaalsContact C-N 3.32Å
111S93.3Very high95.3Very high62 Ų6258.5 Ų58.543%0.43429%0.294SS..SBendtrans-83.3-10.3178.357.90000112.8S109 P159 D162S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact OG-N 2.85Å; S109-S111 PolarHBondContact OG-OG 3.49Å; S111-P159 VanDerWaalsContact OG-CG 3.3Å; S111-P159 WeakPolarHBondContact OG-CG 3.3Å; S111-D162 PolarHBondContact OG-OD2 3.4Å
112I94.6Very high95.3Very high4 Ų460.2 Ų60.22%0.02130%0.303CS..SBendtrans-83131.7178.5-67.1176.5000110L106 R110 F116 L158 P159 T163L106-I112 HydrophobicContact CB-CD1 4.49Å; L106-I112 HydrophobicContact CD2-CD1 3.83Å; L106-I112 WeakPolarHBondContact O-CD1 3.07Å; R110-I112 VanDerWaalsContact C-N 3.32Å; I112-F116 HydrophobicContact CG2-CB 3.75Å; I112-F116 HydrophobicContact CG2-CD2 4Å; I112-F116 HydrophobicContact CG2-CG 4.12Å; I112-L158 HydrophobicContact CG2-CD2 4.37Å; I112-P159 HydrophobicContact CG1-CG 3.66Å; I112-T163 HydrophobicContact CD1-CG2 3.82Å; I112-T163 HydrophobicContact CG1-CG2 4.31Å
113D95.1Very high95.2Very high79 Ų7968 Ų6842%0.42234%0.339SS..  trans-58.5137.5177.5-168.5-69.1000111.3A115 F116 P156D113-A115 PolarHBondContact O-N 3.25Å; D113-A115 VanDerWaalsContact O-N 3.1Å; D113-A115 VanDerWaalsContact OD1-CB 3.27Å; D113-A115 WeakPolarHBondContact OD1-CB 3.45Å; D113-A115 PolarHBondContact OD1-N 3.17Å; D113-F116 HydrophobicContact CB-CD2 4.07Å; D113-F116 HydrophobicContact CB-CE2 4.43Å; D113-F116 WeakPolarHBondContact O-CB 3.37Å; D113-F116 PolarHBondContact O-N 3.3Å; D113-P156 HydrophobicContact CB-CB 3.99Å; D113-P156 HydrophobicContact CB-CG 3.92Å
114Q94.9Very high95.2Very high113 Ų11374 Ų7453%0.52836%0.363SS..Hα-helixtrans-59.2-24.5-177.8-66.1-62.2-55.800113.1F116 L117 Q118Q114-F116 VanDerWaalsContact C-N 3.27Å; Q114-F116 PolarHBondContact O-N 2.96Å; Q114-L117 PolarHBondContact O-N 2.94Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; Q114-Q118 WeakPolarHBondContact O-CG 3.41Å; Q114-Q118 PolarHBondContact O-N 3.5Å; Q114-Q118 VanDerWaalsContact O-N 3.08Å
115A95.9Very high95.3Very high7 Ų771.5 Ų71.56%0.05835%0.352CS..Hα-helixtrans-57.3-40.5174.800000111.9P39 V41 D113 L117 Q118 F119P39-A115 HydrophobicContact CB-CB 4.12Å; V41-A115 HydrophobicContact CG2-CB 3.97Å; D113-A115 PolarHBondContact O-N 3.25Å; D113-A115 VanDerWaalsContact O-N 3.1Å; D113-A115 VanDerWaalsContact OD1-CB 3.27Å; D113-A115 WeakPolarHBondContact OD1-CB 3.45Å; D113-A115 PolarHBondContact OD1-N 3.17Å; A115-L117 PolarHBondContact O-N 3.24Å; A115-Q118 PolarHBondContact O-N 3.47Å; A115-F119 WeakPolarHBondContact O-CD2 3.37Å; A115-F119 PolarHBondContact O-N 3.02Å
116F97.3Very high95.4Very high4 Ų474.2 Ų74.22%0.01836%0.36CS..Hα-helixtrans-62-43.2176.2-73.3-81000111.7V41 I112 D113 Q114 Q118 F119 F120 L129 P156 L158V41-F116 HydrophobicContact CG1-CD1 4.04Å; V41-F116 HydrophobicContact CG1-CE1 3.55Å; V41-F116 HydrophobicContact CG1-CZ 4.11Å; V41-F116 HydrophobicContact CG2-CD1 4Å; V41-F116 HydrophobicContact CG2-CD2 4.43Å; V41-F116 HydrophobicContact CG2-CE1 4.08Å; V41-F116 HydrophobicContact CG2-CG 4.18Å; V41-F116 HydrophobicContact CG2-CZ 4.33Å; I112-F116 HydrophobicContact CG2-CB 3.75Å; I112-F116 HydrophobicContact CG2-CD2 4Å; I112-F116 HydrophobicContact CG2-CG 4.12Å; D113-F116 HydrophobicContact CB-CD2 4.07Å; D113-F116 HydrophobicContact CB-CE2 4.43Å; D113-F116 WeakPolarHBondContact O-CB 3.37Å; D113-F116 PolarHBondContact O-N 3.3Å; Q114-F116 VanDerWaalsContact C-N 3.27Å; Q114-F116 PolarHBondContact O-N 2.96Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 3.3Å; F116-F119 PolarHBondContact O-N 3.06Å; F116-F120 VanDerWaalsContact O-CB 3.31Å; F116-F120 WeakPolarHBondContact O-CB 3.27Å; F116-F120 PolarHBondContact O-N 3.05Å; F116-L129 HydrophobicContact CD1-CD1 4.35Å; F116-L129 HydrophobicContact CD1-CD2 3.59Å; F116-L129 HydrophobicContact CE1-CD2 3.82Å; F116-P156 HydrophobicContact CE2-CB 4.23Å; F116-P156 HydrophobicContact CE2-CG 4.44Å; F116-P156 WeakPolarHBondContact CE2-O 3.43Å; F116-P156 VanDerWaalsContact CZ-O 3.3Å; F116-P156 WeakPolarHBondContact CZ-O 3.44Å; F116-L158 HydrophobicContact CD1-CD2 4.1Å; F116-L158 HydrophobicContact CD2-CD2 3.97Å; F116-L158 HydrophobicContact CE1-CD2 3.87Å; F116-L158 HydrophobicContact CE1-CG 4.15Å; F116-L158 HydrophobicContact CE2-CD2 3.73Å; F116-L158 HydrophobicContact CE2-CG 4.28Å; F116-L158 HydrophobicContact CG-CD2 4.15Å; F116-L158 HydrophobicContact CZ-CD2 3.68Å; F116-L158 HydrophobicContact CZ-CG 3.85Å
117L95.9Very high95.6Very high48 Ų4877 Ų7725%0.25138%0.375SS..Hα-helixtrans-64.7-37.3-179.7-61.8-178.4000112.2L106 T107 Q114 A115 F120 G121L106-L117 VanDerWaalsContact O-CD2 3.22Å; L106-L117 WeakPolarHBondContact O-CD2 2.92Å; T107-L117 HydrophobicContact CG2-CD2 4.45Å; Q114-L117 PolarHBondContact O-N 2.94Å; Q114-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 PolarHBondContact O-N 3.24Å; L117-F120 WeakPolarHBondContact O-CB 3.47Å; L117-F120 PolarHBondContact O-N 3.32Å; L117-G121 PolarHBondContact O-N 3.25Å
118Q95.9Very high95.7Very high121 Ų12174.4 Ų74.457%0.56536%0.359SS*.Hα-helixtrans-64.3-43.9177.5-69.6-175.952.800111.7P39 Q114 A115 F116 G121P39-Q118 HydrophobicContact CG-CB 4.33Å; P39-Q118 VanDerWaalsContact CG-CD 3.43Å; P39-Q118 HydrophobicContact CG-CG 4.48Å; Q114-Q118 WeakPolarHBondContact O-CG 3.41Å; Q114-Q118 PolarHBondContact O-N 3.5Å; Q114-Q118 VanDerWaalsContact O-N 3.08Å; A115-Q118 PolarHBondContact O-N 3.47Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 3.3Å; Q118-G121 PolarHBondContact O-N 2.92Å
119F97.9Very high96.1Very high18 Ų1865.7 Ų65.78%0.07933%0.326CS..Hα-helixtrans-73.9-27.1174.7-66.7-62.7000113.3P16 L17 F18 P39 V41 A115 F116 G121 D122 L125P16-F119 HydrophobicContact CB-CE1 3.87Å; P16-F119 HydrophobicContact CB-CZ 3.85Å; L17-F119 VanDerWaalsContact C-CZ 3.49Å; L17-F119 WeakPolarHBondContact O-CZ 3.41Å; F18-F119 HydrophobicContact CB-CD1 4.13Å; F18-F119 HydrophobicContact CB-CE1 4Å; F18-F119 HydrophobicContact CB-CG 4.43Å; F18-F119 HydrophobicContact CB-CZ 4.21Å; F18-F119 HydrophobicContact CD2-CB 3.96Å; F18-F119 HydrophobicContact CD2-CD1 4.24Å; F18-F119 AromaticContact CD2-CD2 3.85Å; F18-F119 HydrophobicContact CD2-CD2 3.85Å; F18-F119 HydrophobicContact CD2-CE2 4.42Å; F18-F119 AromaticContact CD2-CG 3.75Å; F18-F119 HydrophobicContact CD2-CG 3.75Å; F18-F119 HydrophobicContact CE2-CB 4.37Å; P39-F119 HydrophobicContact CB-CD2 4.48Å; P39-F119 HydrophobicContact CB-CE2 3.65Å; P39-F119 HydrophobicContact CB-CZ 3.82Å; V41-F119 HydrophobicContact CB-CD2 3.96Å; V41-F119 HydrophobicContact CB-CE2 4.06Å; V41-F119 HydrophobicContact CG2-CD2 3.63Å; V41-F119 HydrophobicContact CG2-CE2 3.88Å; A115-F119 WeakPolarHBondContact O-CD2 3.37Å; A115-F119 PolarHBondContact O-N 3.02Å; F116-F119 PolarHBondContact O-N 3.06Å; F119-G121 PolarHBondContact O-N 2.93Å; F119-G121 VanDerWaalsContact O-N 3.15Å; F119-D122 PolarHBondContact O-N 3.44Å; F119-D122 VanDerWaalsContact O-N 3.07Å; F119-L125 HydrophobicContact CB-CB 4.38Å; F119-L125 HydrophobicContact CB-CD1 3.99Å; F119-L125 HydrophobicContact CD1-CD1 3.5Å; F119-L125 VanDerWaalsContact CD1-CD1 3.5Å; F119-L125 HydrophobicContact CE1-CD1 4.38Å; F119-L125 HydrophobicContact CG-CD1 4.1Å
120F97Very high96.5Very high23 Ų2365.2 Ų65.210%0.10132%0.321CS..Hα-helixtrans-63.1-19.2175.8-160.2-87.6000112.5L106 T107 F116 L117 D122 R126 L129 I130L106-F120 HydrophobicContact CB-CD2 4.33Å; L106-F120 HydrophobicContact CB-CE2 3.99Å; L106-F120 HydrophobicContact CD1-CD2 4.17Å; L106-F120 HydrophobicContact CD1-CE2 3.73Å; T107-F120 HydrophobicContact CG2-CD1 3.54Å; T107-F120 HydrophobicContact CG2-CE1 3.4Å; T107-F120 HydrophobicContact CG2-CG 4.18Å; T107-F120 HydrophobicContact CG2-CZ 3.92Å; F116-F120 VanDerWaalsContact O-CB 3.31Å; F116-F120 WeakPolarHBondContact O-CB 3.27Å; F116-F120 PolarHBondContact O-N 3.05Å; L117-F120 WeakPolarHBondContact O-CB 3.47Å; L117-F120 PolarHBondContact O-N 3.32Å; F120-D122 PolarHBondContact O-N 3.42Å; F120-R126 HydrophobicContact CD1-CG 3.98Å; F120-R126 HydrophobicContact CD2-CB 4.38Å; F120-R126 HydrophobicContact CD2-CG 3.9Å; F120-R126 HydrophobicContact CE1-CG 3.67Å; F120-R126 HydrophobicContact CE2-CG 3.6Å; F120-R126 HydrophobicContact CG-CB 4.43Å; F120-R126 HydrophobicContact CG-CG 4.08Å; F120-R126 HydrophobicContact CZ-CG 3.47Å; F120-R126 VanDerWaalsContact CZ-CG 3.47Å; F120-R126 PolarHBondContact O-NE 3.15Å; F120-R126 PolarHBondContact O-NH2 2.91Å; F120-L129 HydrophobicContact CB-CD1 4.48Å; F120-L129 HydrophobicContact CD2-CD1 4.18Å; F120-I130 HydrophobicContact CE2-CD1 4.25Å; F120-I130 HydrophobicContact CE2-CG1 4.12Å; F120-I130 HydrophobicContact CZ-CD1 4.21Å
121G95.4Very high96.9Very high57 Ų5756 Ų5659%0.58829%0.286SS*.THydrogen-bonded Turntrans-60.8-31.917200000113.6L117 Q118 F119 R126L117-G121 PolarHBondContact O-N 3.25Å; Q118-G121 PolarHBondContact O-N 2.92Å; F119-G121 PolarHBondContact O-N 2.93Å; F119-G121 VanDerWaalsContact O-N 3.15Å; G121-R126 PolarHBondContact O-NH2 2.57Å
122D97.9Very high97.2Very high79 Ų7953.1 Ų53.142%0.42227%0.266SS..SBendtrans-82.4133.8177.3179.3-85.2000111.4F119 F120 F124 L125 R126F119-D122 PolarHBondContact O-N 3.44Å; F119-D122 VanDerWaalsContact O-N 3.07Å; F120-D122 PolarHBondContact O-N 3.42Å; D122-F124 PolarHBondContact O-N 3.4Å; D122-F124 WeakPolarHBondContact OD1-CA 3.45Å; D122-F124 WeakPolarHBondContact OD1-CB 3.49Å; D122-F124 PolarHBondContact OD1-N 3.39Å; D122-L125 HydrophobicContact CB-CB 4.14Å; D122-L125 HydrophobicContact CB-CD1 4.18Å; D122-L125 HydrophobicContact CB-CG 4.17Å; D122-L125 PolarHBondContact OD1-N 2.95Å; D122-R126 WeakPolarHBondContact O-CB 3.3Å; D122-R126 PolarHBondContact O-N 3.09Å
123E96.8Very high97.4Very high162 Ų16253.1 Ų53.176%0.75727%0.266SS*.Hα-helixtrans-65.6-39.6-174.7-173.7178177.300112.9L127E123-L127 WeakPolarHBondContact O-CB 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å; E123-L127 VanDerWaalsContact O-N 3.08Å
124F97.6Very high97.5Very high135 Ų13549.4 Ų49.459%0.59225%0.246SC*.Hα-helixtrans-72.8-44.9-178.6176.9-107.2000111.2D122 L127 L128D122-F124 PolarHBondContact O-N 3.4Å; D122-F124 WeakPolarHBondContact OD1-CA 3.45Å; D122-F124 WeakPolarHBondContact OD1-CB 3.49Å; D122-F124 PolarHBondContact OD1-N 3.39Å; F124-L127 WeakPolarHBondContact O-CB 3.31Å; F124-L127 PolarHBondContact O-N 2.85Å; F124-L128 HydrophobicContact CD1-CD1 3.92Å; F124-L128 HydrophobicContact CE1-CD1 3.45Å; F124-L128 VanDerWaalsContact CE1-CD1 3.45Å; F124-L128 HydrophobicContact CE1-CG 4.46Å; F124-L128 HydrophobicContact CE2-CD1 4.41Å; F124-L128 HydrophobicContact CZ-CD1 3.73Å; F124-L128 HydrophobicContact CZ-CG 4.38Å; F124-L128 WeakPolarHBondContact O-CG 3.38Å; F124-L128 PolarHBondContact O-N 3.16Å; F124-L128 VanDerWaalsContact O-N 3.09Å
125L98.3Very high97.7Very high31 Ų3144 Ų4416%0.16222%0.221CC..Hα-helixtrans-68-37.7176.9-60.4-177.2000111.9F18 F119 D122 L127 L128 L129F18-L125 HydrophobicContact CB-CD1 4.21Å; F18-L125 HydrophobicContact CB-CD2 4.27Å; F18-L125 HydrophobicContact CD1-CD2 3.82Å; F18-L125 HydrophobicContact CD2-CD1 4.35Å; F18-L125 HydrophobicContact CD2-CD2 4.35Å; F18-L125 HydrophobicContact CE1-CD2 4.2Å; F18-L125 HydrophobicContact CG-CD1 4.31Å; F18-L125 HydrophobicContact CG-CD2 3.9Å; F119-L125 HydrophobicContact CB-CB 4.38Å; F119-L125 HydrophobicContact CB-CD1 3.99Å; F119-L125 HydrophobicContact CD1-CD1 3.5Å; F119-L125 VanDerWaalsContact CD1-CD1 3.5Å; F119-L125 HydrophobicContact CE1-CD1 4.38Å; F119-L125 HydrophobicContact CG-CD1 4.1Å; D122-L125 HydrophobicContact CB-CB 4.14Å; D122-L125 HydrophobicContact CB-CD1 4.18Å; D122-L125 HydrophobicContact CB-CG 4.17Å; D122-L125 PolarHBondContact OD1-N 2.95Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.12Å; L125-L128 HydrophobicContact CD2-CD1 4.2Å; L125-L128 PolarHBondContact O-N 2.9Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.04Å
126R98.4Very high97.8Very high89 Ų8943.8 Ų43.834%0.33622%0.219SC..Hα-helixtrans-55.1-47.5170.9179.4-176.7-52.2153.112.6111.6F120 G121 D122 L128 L129 I130F120-R126 HydrophobicContact CD1-CG 3.98Å; F120-R126 HydrophobicContact CD2-CB 4.38Å; F120-R126 HydrophobicContact CD2-CG 3.9Å; F120-R126 HydrophobicContact CE1-CG 3.67Å; F120-R126 HydrophobicContact CE2-CG 3.6Å; F120-R126 HydrophobicContact CG-CB 4.43Å; F120-R126 HydrophobicContact CG-CG 4.08Å; F120-R126 HydrophobicContact CZ-CG 3.47Å; F120-R126 VanDerWaalsContact CZ-CG 3.47Å; F120-R126 PolarHBondContact O-NE 3.15Å; F120-R126 PolarHBondContact O-NH2 2.91Å; G121-R126 PolarHBondContact O-NH2 2.57Å; D122-R126 WeakPolarHBondContact O-CB 3.3Å; D122-R126 PolarHBondContact O-N 3.09Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.21Å; R126-L129 PolarHBondContact O-N 3.39Å; R126-I130 HydrophobicContact CG-CD1 3.86Å; R126-I130 WeakPolarHBondContact O-CG1 3.19Å; R126-I130 PolarHBondContact O-N 3.36Å
127L98.3Very high97.8Very high63 Ų6343.6 Ų43.633%0.3322%0.218SC..Hα-helixtrans-59.4-46.2178-177.566.4000111E123 F124 L125 I130 R131E123-L127 WeakPolarHBondContact O-CB 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å; E123-L127 VanDerWaalsContact O-N 3.08Å; F124-L127 WeakPolarHBondContact O-CB 3.31Å; F124-L127 PolarHBondContact O-N 2.85Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.12Å; L127-I130 PolarHBondContact O-N 2.92Å; L127-R131 HydrophobicContact CD1-CG 4.48Å; L127-R131 WeakPolarHBondContact O-CB 3.43Å; L127-R131 WeakPolarHBondContact O-CG 3.37Å; L127-R131 PolarHBondContact O-N 3.19Å
128L98.6Very high98Very high13 Ų1341.3 Ų41.37%0.06821%0.206CC..Hα-helixtrans-62-43.6177.9-70.5167.2000112.5I20 L67 F124 L125 R126 R131 F132I20-L128 HydrophobicContact CD1-CD1 3.86Å; I20-L128 HydrophobicContact CD1-CD2 4.02Å; I20-L128 HydrophobicContact CD1-CG 4.44Å; L67-L128 HydrophobicContact CB-CD2 4.13Å; F124-L128 HydrophobicContact CD1-CD1 3.92Å; F124-L128 HydrophobicContact CE1-CD1 3.45Å; F124-L128 VanDerWaalsContact CE1-CD1 3.45Å; F124-L128 HydrophobicContact CE1-CG 4.46Å; F124-L128 HydrophobicContact CE2-CD1 4.41Å; F124-L128 HydrophobicContact CZ-CD1 3.73Å; F124-L128 HydrophobicContact CZ-CG 4.38Å; F124-L128 WeakPolarHBondContact O-CG 3.38Å; F124-L128 PolarHBondContact O-N 3.16Å; F124-L128 VanDerWaalsContact O-N 3.09Å; L125-L128 HydrophobicContact CD2-CD1 4.2Å; L125-L128 PolarHBondContact O-N 2.9Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.21Å; L128-R131 PolarHBondContact O-N 3.3Å; L128-F132 VanDerWaalsContact O-CB 3.27Å; L128-F132 WeakPolarHBondContact O-CB 3.22Å; L128-F132 PolarHBondContact O-N 2.86Å
129L98.6Very high98Very high1 Ų135.6 Ų35.61%0.00518%0.18CC..Hα-helixtrans-61.2-45.8177-75.8173.9000112.4F18 V41 L43 L106 F116 F120 L125 R126 R131 F132 V133F18-L129 HydrophobicContact CE2-CD1 4.31Å; F18-L129 HydrophobicContact CE2-CD2 3.81Å; F18-L129 HydrophobicContact CE2-CG 3.94Å; F18-L129 HydrophobicContact CZ-CD2 3.98Å; F18-L129 HydrophobicContact CZ-CG 4.13Å; V41-L129 HydrophobicContact CG1-CD2 4.42Å; L43-L129 HydrophobicContact CD2-CD2 4.05Å; L106-L129 HydrophobicContact CD1-CB 4.22Å; F116-L129 HydrophobicContact CD1-CD1 4.35Å; F116-L129 HydrophobicContact CD1-CD2 3.59Å; F116-L129 HydrophobicContact CE1-CD2 3.82Å; F120-L129 HydrophobicContact CB-CD1 4.48Å; F120-L129 HydrophobicContact CD2-CD1 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 3.04Å; R126-L129 PolarHBondContact O-N 3.39Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.45Å; L129-F132 WeakPolarHBondContact O-CB 3.49Å; L129-F132 PolarHBondContact O-N 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.5Å; L129-V133 PolarHBondContact O-N 3.35Å
130I98.7Very high97.9Very high16 Ų1636.8 Ų36.88%0.08218%0.183CC..Hα-helixtrans-62.4-45.1178.6-70.4166.5000110.7F99 I102 L106 F120 R126 L127 F132 V133 F134F99-I130 HydrophobicContact CB-CG2 3.56Å; F99-I130 HydrophobicContact CD1-CG2 3.58Å; F99-I130 HydrophobicContact CD2-CG2 4.47Å; F99-I130 HydrophobicContact CE1-CG2 4.47Å; F99-I130 HydrophobicContact CG-CG2 3.6Å; I102-I130 HydrophobicContact CB-CG2 4.12Å; I102-I130 HydrophobicContact CD1-CG2 4.34Å; I102-I130 HydrophobicContact CG2-CB 4.19Å; I102-I130 HydrophobicContact CG2-CG1 4.13Å; I102-I130 HydrophobicContact CG2-CG2 3.99Å; L106-I130 HydrophobicContact CD1-CG1 4.32Å; F120-I130 HydrophobicContact CE2-CD1 4.25Å; F120-I130 HydrophobicContact CE2-CG1 4.12Å; F120-I130 HydrophobicContact CZ-CD1 4.21Å; R126-I130 HydrophobicContact CG-CD1 3.86Å; R126-I130 WeakPolarHBondContact O-CG1 3.19Å; R126-I130 PolarHBondContact O-N 3.36Å; L127-I130 PolarHBondContact O-N 2.92Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 3.46Å; I130-V133 PolarHBondContact O-N 3.08Å; I130-F134 PolarHBondContact O-N 3.44Å; I130-F134 VanDerWaalsContact O-N 3.09Å
131R98.8Very high97.9Very high51 Ų5136.1 Ų36.119%0.19218%0.181CC..Hα-helixtrans-66.8-35.7179.2-67.5179.5176.8176.9-6.1112.2L67 Y68 P70 L127 L128 L129 F134 C135L67-R131 HydrophobicContact CD2-CB 4.29Å; L67-R131 WeakPolarHBondContact O-CD 3.21Å; L67-R131 PolarHBondContact O-NH1 3.33Å; Y68-R131 VanDerWaalsContact O-CZ 3.3Å; Y68-R131 PolarHBondContact O-NH1 3.39Å; P70-R131 HydrophobicContact CG-CB 4.04Å; P70-R131 HydrophobicContact CG-CG 3.53Å; L127-R131 HydrophobicContact CD1-CG 4.48Å; L127-R131 WeakPolarHBondContact O-CB 3.43Å; L127-R131 WeakPolarHBondContact O-CG 3.37Å; L127-R131 PolarHBondContact O-N 3.19Å; L128-R131 PolarHBondContact O-N 3.3Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.45Å; R131-F134 PolarHBondContact O-N 2.9Å; R131-C135 VanDerWaalsContact O-CB 3.3Å; R131-C135 WeakPolarHBondContact O-CB 3.38Å; R131-C135 PolarHBondContact O-N 3.49Å
132F98.8Very high98Very high2 Ų233.5 Ų33.51%0.00915%0.154CC..Hα-helixtrans-61.2-47.9173.5172.1-90.9000111.9L43 F63 L67 L128 L129 I130 F134 C135 S136 P152 E153 L158L43-F132 HydrophobicContact CB-CD2 3.8Å; L43-F132 HydrophobicContact CB-CE2 3.98Å; L43-F132 HydrophobicContact CD1-CB 3.83Å; L43-F132 HydrophobicContact CD1-CD2 3.98Å; L43-F132 HydrophobicContact CD1-CG 3.99Å; L43-F132 HydrophobicContact CD2-CB 4.41Å; L43-F132 HydrophobicContact CD2-CD1 3.96Å; L43-F132 HydrophobicContact CD2-CD2 3.82Å; L43-F132 HydrophobicContact CD2-CE1 4.2Å; L43-F132 HydrophobicContact CD2-CE2 4.03Å; L43-F132 HydrophobicContact CD2-CG 3.78Å; L43-F132 HydrophobicContact CD2-CZ 4.24Å; L43-F132 HydrophobicContact CG-CD2 4.08Å; L43-F132 HydrophobicContact CG-CE2 4.49Å; L43-F132 HydrophobicContact CG-CG 4.32Å; F63-F132 AromaticContact CE2-CD2 3.73Å; F63-F132 HydrophobicContact CE2-CD2 3.73Å; F63-F132 AromaticContact CE2-CE2 3.98Å; F63-F132 HydrophobicContact CE2-CE2 3.98Å; F63-F132 AromaticContact CZ-CD2 3.85Å; F63-F132 HydrophobicContact CZ-CD2 3.85Å; F63-F132 HydrophobicContact CZ-CE2 4.05Å; L67-F132 HydrophobicContact CD2-CB 3.87Å; L128-F132 VanDerWaalsContact O-CB 3.27Å; L128-F132 WeakPolarHBondContact O-CB 3.22Å; L128-F132 PolarHBondContact O-N 2.86Å; L129-F132 WeakPolarHBondContact O-CB 3.49Å; L129-F132 PolarHBondContact O-N 3.25Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 3.46Å; F132-F134 VanDerWaalsContact C-N 3.33Å; F132-F134 PolarHBondContact O-N 3.39Å; F132-C135 WeakPolarHBondContact O-CB 3.43Å; F132-C135 PolarHBondContact O-N 3.26Å; F132-S136 PolarHBondContact O-N 2.98Å; F132-P152 HydrophobicContact CD2-CB 4.38Å; F132-P152 HydrophobicContact CE2-CB 3.69Å; F132-P152 HydrophobicContact CE2-CG 4.46Å; F132-P152 HydrophobicContact CZ-CB 4.21Å; F132-E153 WeakPolarHBondContact CE2-O 3.35Å; F132-E153 VanDerWaalsContact CZ-O 3.25Å; F132-E153 WeakPolarHBondContact CZ-O 3.18Å; F132-L158 HydrophobicContact CD1-CD1 4.2Å; F132-L158 HydrophobicContact CE1-CD1 3.89Å
133V98.6Very high97.9Very high3 Ų333 Ų332%0.01815%0.148CC..Hα-helixtrans-60.9-45.2178.2170.70000110.6I102 L106 L129 I130 C135 S136 A137 L158 V164 L169I102-V133 HydrophobicContact CD1-CG1 4.21Å; I102-V133 HydrophobicContact CG1-CG1 4.22Å; I102-V133 HydrophobicContact CG2-CB 3.73Å; I102-V133 HydrophobicContact CG2-CG1 3.73Å; I102-V133 HydrophobicContact CG2-CG2 4.21Å; L106-V133 HydrophobicContact CD1-CG2 4.27Å; L106-V133 HydrophobicContact CD2-CG2 4.12Å; L129-V133 WeakPolarHBondContact O-CG2 3.5Å; L129-V133 PolarHBondContact O-N 3.35Å; I130-V133 PolarHBondContact O-N 3.08Å; V133-C135 PolarHBondContact O-N 2.93Å; V133-S136 PolarHBondContact O-N 3.08Å; V133-A137 PolarHBondContact O-N 3.16Å; V133-L158 HydrophobicContact CG2-CD1 3.94Å; V133-V164 HydrophobicContact CG1-CG1 4.18Å; V133-L169 HydrophobicContact CG1-CD2 3.67Å
134F98.8Very high97.8Very high1 Ų129.3 Ų29.30%0.00413%0.133CC..Hα-helixtrans-61.2-44.1175.5179.4-97.5000112.3F66 P70 F74 L95 V98 F99 I102 I130 R131 F132 S136 A137 A138 L169 V173 L176F66-F134 HydrophobicContact CD1-CD1 4.32Å; F66-F134 HydrophobicContact CD1-CE1 4.43Å; F66-F134 HydrophobicContact CE1-CD1 4.33Å; F66-F134 HydrophobicContact CE1-CE1 4.07Å; P70-F134 HydrophobicContact CB-CD1 3.74Å; P70-F134 HydrophobicContact CB-CE1 3.95Å; F74-F134 HydrophobicContact CB-CE1 4.48Å; F74-F134 HydrophobicContact CD2-CE1 4.35Å; F74-F134 HydrophobicContact CD2-CZ 4.05Å; L95-F134 HydrophobicContact CD2-CD2 4Å; L95-F134 HydrophobicContact CD2-CE1 4.06Å; L95-F134 HydrophobicContact CD2-CE2 3.44Å; L95-F134 VanDerWaalsContact CD2-CE2 3.44Å; L95-F134 HydrophobicContact CD2-CZ 3.49Å; L95-F134 VanDerWaalsContact CD2-CZ 3.49Å; V98-F134 HydrophobicContact CG1-CD2 4.08Å; V98-F134 HydrophobicContact CG1-CE2 4.47Å; F99-F134 HydrophobicContact CE1-CB 4.04Å; F99-F134 HydrophobicContact CE1-CD1 4.43Å; F99-F134 HydrophobicContact CE1-CD2 4.32Å; F99-F134 AromaticContact CE1-CG 3.99Å; F99-F134 HydrophobicContact CE1-CG 3.99Å; I102-F134 HydrophobicContact CD1-CB 3.81Å; I130-F134 PolarHBondContact O-N 3.44Å; I130-F134 VanDerWaalsContact O-N 3.09Å; R131-F134 PolarHBondContact O-N 2.9Å; F132-F134 VanDerWaalsContact C-N 3.33Å; F132-F134 PolarHBondContact O-N 3.39Å; F134-S136 PolarHBondContact O-N 2.64Å; F134-A137 PolarHBondContact O-N 3.14Å; F134-A138 HydrophobicContact CE1-CB 4.46Å; F134-A138 WeakPolarHBondContact O-CB 3.27Å; F134-A138 PolarHBondContact O-N 3.1Å; F134-L169 HydrophobicContact CD2-CD1 4.45Å; F134-V173 HydrophobicContact CE2-CG2 4.09Å; F134-L176 HydrophobicContact CE2-CD2 4.39Å; F134-L176 HydrophobicContact CZ-CD2 3.73Å
135C98.6Very high97.7Very high0 Ų023 Ų230%011%0.105CC..Hα-helixtrans-56.4-50.1175.4-179.30000111.4F66 R131 F132 V133 A137 A138 L139F66-C135 HydrophobicContact CB-CB 3.72Å; F66-C135 WeakPolarHBondContact CB-SG 3.27Å; F66-C135 HydrophobicContact CD1-CB 3.85Å; F66-C135 HydrophobicContact CG-CB 3.83Å; F66-C135 WeakPolarHBondContact CG-SG 3.46Å; R131-C135 VanDerWaalsContact O-CB 3.3Å; R131-C135 WeakPolarHBondContact O-CB 3.38Å; R131-C135 PolarHBondContact O-N 3.49Å; F132-C135 WeakPolarHBondContact O-CB 3.43Å; F132-C135 PolarHBondContact O-N 3.26Å; V133-C135 PolarHBondContact O-N 2.93Å; C135-A137 PolarHBondContact O-N 3.4Å; C135-A138 PolarHBondContact O-N 2.9Å; C135-L139 WeakPolarHBondContact O-CB 3.49Å; C135-L139 VanDerWaalsContact O-CG 3.3Å; C135-L139 WeakPolarHBondContact O-CG 3.38Å; C135-L139 PolarHBondContact O-N 2.94Å
136S98.1Very high97.2Very high2 Ų230.5 Ų30.51%0.01413%0.131CC..Hα-helixtrans-60.6-46.2180-1600000111.7F132 V133 F134 L139 R140 P152F132-S136 PolarHBondContact O-N 2.98Å; V133-S136 PolarHBondContact O-N 3.08Å; F134-S136 PolarHBondContact O-N 2.64Å; S136-L139 PolarHBondContact O-N 3.28Å; S136-R140 WeakPolarHBondContact O-CB 3.16Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.06Å; S136-R140 PolarHBondContact OG-NE 2.65Å; S136-R140 VanDerWaalsContact OG-NE 3.14Å; S136-P152 PolarHBondContact OG-O 2.97Å
137A98.1Very high96.8Very high1 Ų130.8 Ų30.81%0.00814%0.136CC..Hα-helixtrans-63.6-45178.900000112.6V133 F134 C135 L139 R140 L141 V164 L169 V173V133-A137 PolarHBondContact O-N 3.16Å; F134-A137 PolarHBondContact O-N 3.14Å; C135-A137 PolarHBondContact O-N 3.4Å; A137-L139 PolarHBondContact O-N 3.19Å; A137-R140 PolarHBondContact O-N 3.39Å; A137-L141 PolarHBondContact O-N 2.83Å; A137-L141 VanDerWaalsContact O-N 3.15Å; A137-V164 WeakPolarHBondContact CA-O 3.39Å; A137-V164 VanDerWaalsContact CB-O 3.3Å; A137-V164 WeakPolarHBondContact CB-O 3.36Å; A137-L169 HydrophobicContact CB-CD2 3.39Å; A137-L169 HydrophobicContact CB-CG 3.65Å; A137-V173 HydrophobicContact CB-CG2 4.29Å
138A98.1Very high96.3Very high0 Ų031.9 Ų31.90%015%0.149CC..Hα-helixtrans-61.5-44.3178.100000111.9F66 F74 F134 C135 H142 V173F66-A138 HydrophobicContact CE1-CB 4.17Å; F66-A138 HydrophobicContact CZ-CB 4.36Å; F74-A138 HydrophobicContact CD2-CB 3.98Å; F74-A138 HydrophobicContact CE2-CB 4.23Å; F134-A138 HydrophobicContact CE1-CB 4.46Å; F134-A138 WeakPolarHBondContact O-CB 3.27Å; F134-A138 PolarHBondContact O-N 3.1Å; C135-A138 PolarHBondContact O-N 2.9Å; A138-H142 WeakPolarHBondContact O-CB 3.45Å; A138-H142 PolarHBondContact O-N 3.25Å; A138-V173 HydrophobicContact CB-CG1 4.43Å
139L97.4Very high96.1Very high1 Ų137.7 Ų37.71%0.00517%0.17CC..Hα-helixtrans-68.5-38.8178.2-64.7-176.9000111.9P46 L62 F66 V77 C135 S136 A137 L141 H142 F145 F151 P152P46-L139 HydrophobicContact CG-CD1 4.24Å; L62-L139 HydrophobicContact CD2-CD2 4.28Å; F66-L139 HydrophobicContact CE2-CD2 4.06Å; F66-L139 HydrophobicContact CE2-CG 4.49Å; F66-L139 HydrophobicContact CZ-CD2 4.34Å; V77-L139 HydrophobicContact CG2-CD2 4.09Å; C135-L139 WeakPolarHBondContact O-CB 3.49Å; C135-L139 VanDerWaalsContact O-CG 3.3Å; C135-L139 WeakPolarHBondContact O-CG 3.38Å; C135-L139 PolarHBondContact O-N 2.94Å; S136-L139 PolarHBondContact O-N 3.28Å; A137-L139 PolarHBondContact O-N 3.19Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.76Å; L139-H142 PolarHBondContact O-N 2.94Å; L139-F145 HydrophobicContact CB-CD1 4.32Å; L139-F145 HydrophobicContact CB-CG 4.44Å; L139-F145 HydrophobicContact CD1-CE1 4.38Å; L139-F145 HydrophobicContact CD2-CD1 4.15Å; L139-F145 HydrophobicContact CD2-CD2 4.26Å; L139-F145 HydrophobicContact CD2-CE1 3.73Å; L139-F145 HydrophobicContact CD2-CE2 3.87Å; L139-F145 HydrophobicContact CD2-CG 4.41Å; L139-F145 HydrophobicContact CD2-CZ 3.58Å; L139-F145 HydrophobicContact CG-CE1 4.47Å; L139-F145 WeakPolarHBondContact O-CB 3.47Å; L139-F151 HydrophobicContact CB-CD1 4.39Å; L139-P152 HydrophobicContact CD1-CG 4.47Å
140R96.1Very high95.9Very high42 Ų4237.9 Ų37.916%0.15817%0.171CC..Hα-helixtrans-61.7-36.4177.1-75.4169.8-171.4-79-14.9113.6S136 A137 F151 E165S136-R140 WeakPolarHBondContact O-CB 3.16Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.06Å; S136-R140 PolarHBondContact OG-NE 2.65Å; S136-R140 VanDerWaalsContact OG-NE 3.14Å; A137-R140 PolarHBondContact O-N 3.39Å; R140-F151 HydrophobicContact CB-CD1 4.39Å; R140-F151 HydrophobicContact CB-CE1 4.32Å; R140-F151 HydrophobicContact CG-CB 4.3Å; R140-F151 HydrophobicContact CG-CD1 3.66Å; R140-F151 HydrophobicContact CG-CD2 4.07Å; R140-F151 HydrophobicContact CG-CE1 3.95Å; R140-F151 HydrophobicContact CG-CE2 4.33Å; R140-F151 HydrophobicContact CG-CG 3.73Å; R140-F151 HydrophobicContact CG-CZ 4.28Å; R140-E165 IonicContact CZ-OE1 3.55Å; R140-E165 IonicContact NH1-OE1 3.62Å; R140-E165 PolarHBondContact NH1-OE1 3.2Å
141L96.6Very high95.8Very high10 Ų1038.3 Ų38.35%0.05217%0.173CC..Hα-helixtrans-82.1-20.3179-75.7174.1000114A137 L139 K143 Q170 V173 F186 W187A137-L141 PolarHBondContact O-N 2.83Å; A137-L141 VanDerWaalsContact O-N 3.15Å; L139-L141 VanDerWaalsContact C-N 3.33Å; L139-L141 PolarHBondContact O-N 2.76Å; L141-K143 PolarHBondContact O-N 3.26Å; L141-Q170 HydrophobicContact CD1-CB 3.91Å; L141-Q170 HydrophobicContact CD1-CG 3.94Å; L141-Q170 HydrophobicContact CD2-CB 4.46Å; L141-Q170 HydrophobicContact CD2-CG 4.07Å; L141-Q170 HydrophobicContact CG-CG 4.26Å; L141-V173 HydrophobicContact CB-CG1 4.49Å; L141-V173 HydrophobicContact CD1-CB 3.71Å; L141-V173 HydrophobicContact CD1-CG1 3.7Å; L141-V173 HydrophobicContact CD1-CG2 4.34Å; L141-F186 HydrophobicContact CB-CD1 3.82Å; L141-F186 WeakPolarHBondContact O-CA 3.24Å; L141-W187 PolarHBondContact O-N 3.29Å
142H97.1Very high95.7Very high2 Ų236 Ų361%0.00916%0.164CC..BIsolated β-bridgetrans-76.7125.4-173.8-167.8-69.2000111.4V77 A138 L139 L144 F145 F186V77-H142 PolarHBondContact O-NE2 2.82Å; A138-H142 WeakPolarHBondContact O-CB 3.45Å; A138-H142 PolarHBondContact O-N 3.25Å; L139-H142 PolarHBondContact O-N 2.94Å; H142-L144 PolarHBondContact ND1-N 2.68Å; H142-L144 PolarHBondContact O-N 2.83Å; H142-F145 HydrophobicContact CB-CD2 3.85Å; H142-F145 HydrophobicContact CB-CE2 4.42Å; H142-F145 AromaticContact CG-CD2 3.99Å; H142-F145 AromaticContact ND1-CD2 3.77Å; H142-F145 AromaticContact ND1-CE2 3.96Å; H142-F145 PolarHBondContact O-N 2.85Å; H142-F186 HydrophobicContact CB-CD1 4.13Å; H142-F186 HydrophobicContact CB-CE1 3.86Å; H142-F186 AromaticContact CD2-CE1 3.8Å; H142-F186 AromaticContact CD2-CZ 3.56Å
143K95.9Very high95.6Very high68 Ų6837.3 Ų37.330%0.29617%0.171SC..THydrogen-bonded Turntrans-56.3-23.6-171-73.6174.4173.7158.50116.1L141 R146 S184 L185 F186 W187L141-K143 PolarHBondContact O-N 3.26Å; K143-R146 PolarHBondContact O-NE 2.6Å; K143-R146 VanDerWaalsContact O-NE 3.08Å; K143-S184 PolarHBondContact NZ-O 2.93Å; K143-L185 VanDerWaalsContact CB-O 3.28Å; K143-L185 WeakPolarHBondContact CB-O 3.13Å; K143-L185 VanDerWaalsContact CG-O 3.23Å; K143-L185 WeakPolarHBondContact CG-O 3.25Å; K143-L185 PolarHBondContact N-O 2.99Å; K143-F186 WeakPolarHBondContact CE-O 3.39Å; K143-F186 PolarHBondContact NZ-O 2.89Å; K143-W187 HydrophobicContact CB-CZ2 4.3Å; K143-W187 HydrophobicContact CD-CD2 4.47Å; K143-W187 HydrophobicContact CD-CE3 4.45Å; K143-W187 HydrophobicContact CD-CZ3 4.48Å; K143-W187 HydrophobicContact CG-CD2 3.73Å; K143-W187 HydrophobicContact CG-CE3 4.18Å; K143-W187 HydrophobicContact CG-CG 4.13Å; K143-W187 HydrophobicContact CG-CH2 4.28Å; K143-W187 HydrophobicContact CG-CZ2 3.85Å; K143-W187 HydrophobicContact CG-CZ3 4.44Å
144L94.8Very high95.5Very high85 Ų8537.5 Ų37.545%0.44517%0.172SC..THydrogen-bonded Turntrans-74.3-25.2176.8-66.3-179.5000113.7P50 H142P50-L144 HydrophobicContact CB-CB 4.1Å; P50-L144 HydrophobicContact CG-CB 3.81Å; P50-L144 WeakPolarHBondContact CG-O 3.48Å; H142-L144 PolarHBondContact ND1-N 2.68Å; H142-L144 PolarHBondContact O-N 2.83Å
145F94.8Very high95.5Very high3 Ų339.7 Ų39.71%0.01318%0.18CC..  trans-102103.7-174.8-64.3-102.5000108.4Y49 P50 V53 L62 V77 L139 H142 S150 F151Y49-F145 HydrophobicContact CD1-CE1 4.27Å; P50-F145 HydrophobicContact CG-CD1 4.01Å; P50-F145 HydrophobicContact CG-CD2 4.06Å; P50-F145 HydrophobicContact CG-CE1 3.89Å; P50-F145 HydrophobicContact CG-CE2 3.9Å; P50-F145 HydrophobicContact CG-CG 4.09Å; P50-F145 HydrophobicContact CG-CZ 3.82Å; V53-F145 HydrophobicContact CG2-CZ 4.1Å; L62-F145 HydrophobicContact CD2-CZ 4.12Å; V77-F145 HydrophobicContact CG2-CD2 4.47Å; V77-F145 HydrophobicContact CG2-CE2 3.28Å; V77-F145 HydrophobicContact CG2-CZ 3.51Å; L139-F145 HydrophobicContact CB-CD1 4.32Å; L139-F145 HydrophobicContact CB-CG 4.44Å; L139-F145 HydrophobicContact CD1-CE1 4.38Å; L139-F145 HydrophobicContact CD2-CD1 4.15Å; L139-F145 HydrophobicContact CD2-CD2 4.26Å; L139-F145 HydrophobicContact CD2-CE1 3.73Å; L139-F145 HydrophobicContact CD2-CE2 3.87Å; L139-F145 HydrophobicContact CD2-CG 4.41Å; L139-F145 HydrophobicContact CD2-CZ 3.58Å; L139-F145 HydrophobicContact CG-CE1 4.47Å; L139-F145 WeakPolarHBondContact O-CB 3.47Å; H142-F145 HydrophobicContact CB-CD2 3.85Å; H142-F145 HydrophobicContact CB-CE2 4.42Å; H142-F145 AromaticContact CG-CD2 3.99Å; H142-F145 AromaticContact ND1-CD2 3.77Å; H142-F145 AromaticContact ND1-CE2 3.96Å; H142-F145 PolarHBondContact O-N 2.85Å; F145-S150 WeakPolarHBondContact CD1-O 3.11Å; F145-F151 HydrophobicContact CB-CD1 4.4Å; F145-F151 HydrophobicContact CB-CE1 3.76Å
146R87.5Confident95.4Very high188 Ų18840.6 Ų40.671%0.70919%0.186SC*.  trans-119.6-21.9-172.1-60.8-174.7-177.9-172.6-2.9113.9K143 S150K143-R146 PolarHBondContact O-NE 2.6Å; K143-R146 VanDerWaalsContact O-NE 3.08Å; R146-S150 PolarHBondContact N-OG 2.78Å
147E90.8Very high95.3Very high94 Ų9445.5 Ų45.544%0.43921%0.209SC..SBendtrans-90.9144.7-178-66.4-178-146.600110.1R149 S150 F151E147-R149 PolarHBondContact O-N 2.81Å; E147-R149 VanDerWaalsContact O-N 3.13Å; E147-R149 IonicContact OE2-CZ 2.82Å; E147-R149 IonicContact OE2-NE 2.75Å; E147-R149 IonicContact OE2-NH2 2.69Å; E147-R149 PolarHBondContact OE2-NH2 3.2Å; E147-S150 PolarHBondContact N-OG 3.04Å; E147-S150 WeakPolarHBondContact O-CA 3.24Å; E147-S150 WeakPolarHBondContact O-CB 3.45Å; E147-S150 PolarHBondContact O-N 3.47Å; E147-S150 PolarHBondContact O-OG 2.82Å; E147-F151 WeakPolarHBondContact O-CE2 3.15Å
148S88.8Confident95.1Very high86 Ų8645.8 Ų45.860%0.60121%0.21SC*.G310 helixtrans-53.7-35.6173.955.30000112.7S150 F151S148-S150 PolarHBondContact O-N 2.92Å; S148-F151 PolarHBondContact O-N 3.1Å
149R93.6Very high95Very high136 Ų13647.2 Ų47.251%0.51322%0.219SC..G310 helixtrans-70.2-10176.4-63.1-176.1-61.7169.72.8114.6P46 T47 V48 E147 F151P46-R149 WeakPolarHBondContact CA-O 3.42Å; T47-R149 PolarHBondContact N-O 3.3Å; V48-R149 HydrophobicContact CB-CB 4.12Å; V48-R149 HydrophobicContact CG2-CB 3.83Å; V48-R149 PolarHBondContact N-O 2.96Å; V48-R149 VanDerWaalsContact N-O 3.15Å; E147-R149 PolarHBondContact O-N 2.81Å; E147-R149 VanDerWaalsContact O-N 3.13Å; E147-R149 IonicContact OE2-CZ 2.82Å; E147-R149 IonicContact OE2-NE 2.75Å; E147-R149 IonicContact OE2-NH2 2.69Å; E147-R149 PolarHBondContact OE2-NH2 3.2Å; R149-F151 VanDerWaalsContact C-N 3.32Å
150S94.4Very high94.8Very high4 Ų450.3 Ų50.33%0.02823%0.233CC..G310 helixtrans-89.20.1176.974.70000113.6P46 V48 F145 R146 E147 S148P46-S150 WeakPolarHBondContact CG-O 3.45Å; V48-S150 VanDerWaalsContact O-CA 3.24Å; V48-S150 WeakPolarHBondContact O-CA 3.27Å; V48-S150 WeakPolarHBondContact O-CB 3.37Å; F145-S150 WeakPolarHBondContact CD1-O 3.11Å; R146-S150 PolarHBondContact N-OG 2.78Å; E147-S150 PolarHBondContact N-OG 3.04Å; E147-S150 WeakPolarHBondContact O-CA 3.24Å; E147-S150 WeakPolarHBondContact O-CB 3.45Å; E147-S150 PolarHBondContact O-N 3.47Å; E147-S150 PolarHBondContact O-OG 2.82Å; S148-S150 PolarHBondContact O-N 2.92Å
151F95.5Very high94.6Very high26 Ų2654.8 Ų54.811%0.11426%0.256CS..SBendtrans-108.7144.1177.2-46.3-48000110.8L139 R140 F145 E147 S148 R149L139-F151 HydrophobicContact CB-CD1 4.39Å; R140-F151 HydrophobicContact CB-CD1 4.39Å; R140-F151 HydrophobicContact CB-CE1 4.32Å; R140-F151 HydrophobicContact CG-CB 4.3Å; R140-F151 HydrophobicContact CG-CD1 3.66Å; R140-F151 HydrophobicContact CG-CD2 4.07Å; R140-F151 HydrophobicContact CG-CE1 3.95Å; R140-F151 HydrophobicContact CG-CE2 4.33Å; R140-F151 HydrophobicContact CG-CG 3.73Å; R140-F151 HydrophobicContact CG-CZ 4.28Å; F145-F151 HydrophobicContact CB-CD1 4.4Å; F145-F151 HydrophobicContact CB-CE1 3.76Å; E147-F151 WeakPolarHBondContact O-CE2 3.15Å; S148-F151 PolarHBondContact O-N 3.1Å; R149-F151 VanDerWaalsContact C-N 3.32Å
152P97.1Very high94.2Very high1 Ų158.1 Ų58.11%0.00627%0.273CS..  trans-67142.316927.8-32.2000109.3L44 F63 F132 S136 L139L44-P152 CarbonylContact O-C 3.48Å; L44-P152 WeakPolarHBondContact O-CA 3.25Å; L44-P152 WeakPolarHBondContact O-CB 3.4Å; F63-P152 HydrophobicContact CD2-CB 3.99Å; F63-P152 HydrophobicContact CE2-CB 3.61Å; F63-P152 HydrophobicContact CE2-CG 4.43Å; F63-P152 HydrophobicContact CZ-CB 4.47Å; F132-P152 HydrophobicContact CD2-CB 4.38Å; F132-P152 HydrophobicContact CE2-CB 3.69Å; F132-P152 HydrophobicContact CE2-CG 4.46Å; F132-P152 HydrophobicContact CZ-CB 4.21Å; S136-P152 PolarHBondContact OG-O 2.97Å; L139-P152 HydrophobicContact CD1-CG 4.47Å
153E96.9Very high93.9Very high31 Ų3158 Ų5815%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-123.4168-179.3-61.5-160.410800110.4K30 L44 F132K30-E153 WeakPolarHBondContact CD-OE2 3.48Å; K30-E153 IonicContact NZ-OE1 3.66Å; K30-E153 PolarHBondContact NZ-OE1 2.82Å; K30-E153 IonicContact NZ-OE2 3.93Å; K30-E153 PolarHBondContact NZ-OE2 3.25Å; L44-E153 WeakPolarHBondContact CA-O 3.45Å; L44-E153 HydrophobicContact CB-CB 4.48Å; L44-E153 VanDerWaalsContact CB-O 3.31Å; L44-E153 WeakPolarHBondContact CB-O 3.31Å; L44-E153 PolarHBondContact N-O 3.05Å; L44-E153 PolarHBondContact O-N 3.36Å; F132-E153 WeakPolarHBondContact CE2-O 3.35Å; F132-E153 VanDerWaalsContact CZ-O 3.25Å; F132-E153 WeakPolarHBondContact CZ-O 3.18Å
154S97.7Very high93.8Very high6 Ų655.1 Ų55.14%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-132.5158.8177.465.70000111.8C42 P156 L158C42-S154 CarbonylContact O-C 3.33Å; C42-S154 WeakPolarHBondContact O-CA 3.44Å; C42-S154 WeakPolarHBondContact O-CB 3.24Å; S154-P156 CarbonylContact C-O 3.29Å; S154-P156 VanDerWaalsContact C-O 3.29Å; S154-P156 WeakPolarHBondContact CB-O 3.46Å; S154-P156 CarbonylContact O-C 3.51Å; S154-P156 PolarHBondContact OG-O 3.14Å; S154-L158 PolarHBondContact OG-N 2.73Å; S154-L158 VanDerWaalsContact OG-N 3.14Å
155Y97.4Very high93.8Very high47 Ų4753.3 Ų53.318%0.18425%0.25CS..EExtended strand (participates in β ladder)trans-121.3129.8160175.4-94.8000109.1K30 F32 L40 V41 C42K30-Y155 WeakPolarHBondContact O-CD2 3.45Å; F32-Y155 HydrophobicContact CB-CD1 4.12Å; F32-Y155 HydrophobicContact CB-CE1 4.25Å; F32-Y155 HydrophobicContact CB-CG 4.45Å; F32-Y155 WeakPolarHBondContact O-CE1 3.49Å; F32-Y155 PolarHBondContact O-OH 3.14Å; L40-Y155 HydrophobicContact CB-CE1 4.45Å; L40-Y155 HydrophobicContact CD2-CD1 4.3Å; L40-Y155 HydrophobicContact CD2-CE1 3.84Å; L40-Y155 HydrophobicContact CG-CD1 4.16Å; L40-Y155 HydrophobicContact CG-CE1 4Å; V41-Y155 CarbonylContact C-O 3.51Å; V41-Y155 VanDerWaalsContact CA-O 3.24Å; V41-Y155 WeakPolarHBondContact CA-O 3.29Å; C42-Y155 PolarHBondContact N-O 3.35Å; C42-Y155 PolarHBondContact O-N 2.86Å
156P96.2Very high93.8Very high20 Ų2053.8 Ų53.813%0.1325%0.254CS..SBendcis-54.6158.6-16-24.535.3000111.8L40 D113 F116 S154 L158L40-P156 VanDerWaalsContact O-CD 3.3Å; L40-P156 WeakPolarHBondContact O-CD 3.41Å; D113-P156 HydrophobicContact CB-CB 3.99Å; D113-P156 HydrophobicContact CB-CG 3.92Å; F116-P156 HydrophobicContact CE2-CB 4.23Å; F116-P156 HydrophobicContact CE2-CG 4.44Å; F116-P156 WeakPolarHBondContact CE2-O 3.43Å; F116-P156 VanDerWaalsContact CZ-O 3.3Å; F116-P156 WeakPolarHBondContact CZ-O 3.44Å; S154-P156 CarbonylContact C-O 3.29Å; S154-P156 VanDerWaalsContact C-O 3.29Å; S154-P156 WeakPolarHBondContact CB-O 3.46Å; S154-P156 CarbonylContact O-C 3.51Å; S154-P156 PolarHBondContact OG-O 3.14Å; P156-L158 PolarHBondContact O-N 3.31Å
157E95.8Very high94.2Very high104 Ų10446.8 Ų46.849%0.48624%0.241SC..PPolyproline II helixtrans-66.4127.9178.7-174.8169.3-16600109.7K160E157-K160 WeakPolarHBondContact OE1-CE 3.3Å; E157-K160 IonicContact OE1-NZ 2.89Å; E157-K160 PolarHBondContact OE1-NZ 3.27Å
158L95.8Very high94.4Very high8 Ų846.6 Ų46.64%0.04224%0.242CC..PPolyproline II helixtrans-69.6139.7172.5-75.1174.8000110.2L106 I112 F116 F132 V133 S154 P156 K160L106-L158 HydrophobicContact CD2-CD2 4.29Å; I112-L158 HydrophobicContact CG2-CD2 4.37Å; F116-L158 HydrophobicContact CD1-CD2 4.1Å; F116-L158 HydrophobicContact CD2-CD2 3.97Å; F116-L158 HydrophobicContact CE1-CD2 3.87Å; F116-L158 HydrophobicContact CE1-CG 4.15Å; F116-L158 HydrophobicContact CE2-CD2 3.73Å; F116-L158 HydrophobicContact CE2-CG 4.28Å; F116-L158 HydrophobicContact CG-CD2 4.15Å; F116-L158 HydrophobicContact CZ-CD2 3.68Å; F116-L158 HydrophobicContact CZ-CG 3.85Å; F132-L158 HydrophobicContact CD1-CD1 4.2Å; F132-L158 HydrophobicContact CE1-CD1 3.89Å; V133-L158 HydrophobicContact CG2-CD1 3.94Å; S154-L158 PolarHBondContact OG-N 2.73Å; S154-L158 VanDerWaalsContact OG-N 3.14Å; P156-L158 PolarHBondContact O-N 3.31Å; L158-K160 PolarHBondContact O-N 2.62Å
159P94.9Very high94.8Very high29 Ų2942.5 Ų42.519%0.18821%0.213CC..  trans-65.9104.8176.326.4-32.4000109.5S111 I112 Q161 D162 T163S111-P159 VanDerWaalsContact OG-CG 3.3Å; S111-P159 WeakPolarHBondContact OG-CG 3.3Å; I112-P159 HydrophobicContact CG1-CG 3.66Å; P159-Q161 PolarHBondContact O-N 3.36Å; P159-D162 HydrophobicContact CB-CB 4.22Å; P159-D162 HydrophobicContact CG-CB 4.17Å; P159-D162 PolarHBondContact O-N 3.48Å; P159-T163 HydrophobicContact CG-CG2 4.15Å; P159-T163 WeakPolarHBondContact O-CB 3.39Å; P159-T163 PolarHBondContact O-N 3.13Å; P159-T163 PolarHBondContact O-OG1 3.2Å
160K93.2Very high94.9Very high67 Ų6738.4 Ų38.429%0.29120%0.2SC..THydrogen-bonded Turntrans-57.8-51.1-165.6-67.2173.7-179143.10113.4E157 L158 D162 T163 V164 E165E157-K160 WeakPolarHBondContact OE1-CE 3.3Å; E157-K160 IonicContact OE1-NZ 2.89Å; E157-K160 PolarHBondContact OE1-NZ 3.27Å; L158-K160 PolarHBondContact O-N 2.62Å; K160-D162 PolarHBondContact O-N 2.84Å; K160-T163 CarbonylContact O-C 3.59Å; K160-T163 PolarHBondContact O-N 2.98Å; K160-V164 HydrophobicContact CB-CG2 4.07Å; K160-V164 HydrophobicContact CG-CG2 4.01Å; K160-V164 PolarHBondContact O-N 3.04Å; K160-V164 VanDerWaalsContact O-N 3.1Å; K160-E165 HydrophobicContact CB-CB 4.42Å; K160-E165 HydrophobicContact CB-CG 4.26Å; K160-E165 WeakPolarHBondContact CB-OE2 3.36Å; K160-E165 WeakPolarHBondContact O-CB 3.32Å; K160-E165 PolarHBondContact O-N 2.93Å
161Q91.4Very high95.1Very high135 Ų13545.4 Ų45.463%0.63123%0.23SC*.THydrogen-bonded Turntrans-61.8-32.1-177.9-64.2-67.7-48.800112.6P159 E165 S166P159-Q161 PolarHBondContact O-N 3.36Å; Q161-E165 PolarHBondContact NE2-OE2 3.02Å; Q161-S166 WeakPolarHBondContact O-CA 3.45Å
162D88.2Confident95.2Very high80 Ų8045 Ų4543%0.42823%0.228SC..THydrogen-bonded Turntrans-86.5-8177.3-59.6-31.7000112.8M105 S111 P159 K160M105-D162 WeakPolarHBondContact CE-O 3.06Å; S111-D162 PolarHBondContact OG-OD2 3.4Å; P159-D162 HydrophobicContact CB-CB 4.22Å; P159-D162 HydrophobicContact CG-CB 4.17Å; P159-D162 PolarHBondContact O-N 3.48Å; K160-D162 PolarHBondContact O-N 2.84Å
163T92.4Very high95.3Very high1 Ų144.9 Ų44.91%0.00623%0.228CC..THydrogen-bonded Turntrans-132.7-96.8-172.960.40000112.4M105 L106 I112 P159 K160 E165 S166M105-T163 WeakPolarHBondContact CE-O 3.3Å; L106-T163 HydrophobicContact CD2-CG2 4.49Å; I112-T163 HydrophobicContact CD1-CG2 3.82Å; I112-T163 HydrophobicContact CG1-CG2 4.31Å; P159-T163 HydrophobicContact CG-CG2 4.15Å; P159-T163 WeakPolarHBondContact O-CB 3.39Å; P159-T163 PolarHBondContact O-N 3.13Å; P159-T163 PolarHBondContact O-OG1 3.2Å; K160-T163 CarbonylContact O-C 3.59Å; K160-T163 PolarHBondContact O-N 2.98Å; T163-E165 VanDerWaalsContact C-N 3.27Å; T163-E165 PolarHBondContact O-N 2.75Å; T163-S166 WeakPolarHBondContact O-CB 3.28Å; T163-S166 PolarHBondContact O-N 3.04Å
164V92.9Very high95.4Very high7 Ų744.3 Ų44.34%0.04223%0.225CC..THydrogen-bonded Turntrans-71.6-17.1-169.1-60.30000114V133 A137 K160V133-V164 HydrophobicContact CG1-CG1 4.18Å; A137-V164 WeakPolarHBondContact CA-O 3.39Å; A137-V164 VanDerWaalsContact CB-O 3.3Å; A137-V164 WeakPolarHBondContact CB-O 3.36Å; K160-V164 HydrophobicContact CB-CG2 4.07Å; K160-V164 HydrophobicContact CG-CG2 4.01Å; K160-V164 PolarHBondContact O-N 3.04Å; K160-V164 VanDerWaalsContact O-N 3.1Å
165E94.4Very high95.4Very high47 Ų4749 Ų4922%0.2225%0.247CC..THydrogen-bonded Turntrans-114.914.9177.3-70.5167.3-168.900111.8R140 K160 Q161 T163 G167R140-E165 IonicContact CZ-OE1 3.55Å; R140-E165 IonicContact NH1-OE1 3.62Å; R140-E165 PolarHBondContact NH1-OE1 3.2Å; K160-E165 HydrophobicContact CB-CB 4.42Å; K160-E165 HydrophobicContact CB-CG 4.26Å; K160-E165 WeakPolarHBondContact CB-OE2 3.36Å; K160-E165 WeakPolarHBondContact O-CB 3.32Å; K160-E165 PolarHBondContact O-N 2.93Å; Q161-E165 PolarHBondContact NE2-OE2 3.02Å; T163-E165 VanDerWaalsContact C-N 3.27Å; T163-E165 PolarHBondContact O-N 2.75Å; E165-G167 PolarHBondContact O-N 3.49Å
166S94.6Very high95.5Very high13 Ų1346.7 Ų46.79%0.09124%0.238CC..  trans-65.5136.8179.8950000111M105 Q161 T163 L168 L169 Q170M105-S166 VanDerWaalsContact CE-CB 3.43Å; M105-S166 WeakPolarHBondContact CE-OG 3.26Å; Q161-S166 WeakPolarHBondContact O-CA 3.45Å; T163-S166 WeakPolarHBondContact O-CB 3.28Å; T163-S166 PolarHBondContact O-N 3.04Å; S166-L168 PolarHBondContact O-N 3.09Å; S166-L168 VanDerWaalsContact O-N 3.17Å; S166-L169 PolarHBondContact O-N 3.27Å; S166-L169 WeakPolarHBondContact OG-CB 3.41Å; S166-L169 PolarHBondContact OG-N 3.25Å; S166-L169 VanDerWaalsContact OG-N 3.15Å; S166-Q170 WeakPolarHBondContact O-CG 3.33Å; S166-Q170 PolarHBondContact O-N 3.44Å
167G95.6Very high95.6Very high41 Ų4145.8 Ų45.842%0.42323%0.232SC..Hα-helixtrans-61.9-25.4-179.900000113.7E165 K171E165-G167 PolarHBondContact O-N 3.49Å; G167-K171 VanDerWaalsContact O-CG 3.29Å; G167-K171 WeakPolarHBondContact O-CG 3.38Å; G167-K171 PolarHBondContact O-N 2.8Å
168L95.8Very high95.7Very high90 Ų9043.1 Ų43.147%0.47123%0.228SC..Hα-helixtrans-65.8-51.7171.9173.863.4000110.6D101 S166 Q170 K171 Q172D101-L168 HydrophobicContact CB-CD2 4.3Å; S166-L168 PolarHBondContact O-N 3.09Å; S166-L168 VanDerWaalsContact O-N 3.17Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; L168-Q170 PolarHBondContact O-N 2.68Å; L168-K171 PolarHBondContact O-N 3.13Å; L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.13Å; L168-Q172 VanDerWaalsContact O-N 3.1Å
169L96.5Very high95.8Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-66.7-36.7-177.2-176.355.2000111V98 I102 V133 F134 A137 S166 Q172 V173V98-L169 HydrophobicContact CG1-CD1 3.75Å; I102-L169 HydrophobicContact CD1-CD1 3.84Å; I102-L169 HydrophobicContact CD1-CD2 4.31Å; I102-L169 HydrophobicContact CG1-CD1 3.98Å; I102-L169 HydrophobicContact CG1-CD2 4.29Å; V133-L169 HydrophobicContact CG1-CD2 3.67Å; F134-L169 HydrophobicContact CD2-CD1 4.45Å; A137-L169 HydrophobicContact CB-CD2 3.39Å; A137-L169 HydrophobicContact CB-CG 3.65Å; S166-L169 PolarHBondContact O-N 3.27Å; S166-L169 WeakPolarHBondContact OG-CB 3.41Å; S166-L169 PolarHBondContact OG-N 3.25Å; S166-L169 VanDerWaalsContact OG-N 3.15Å; L169-Q172 PolarHBondContact O-N 2.89Å; L169-V173 HydrophobicContact CD1-CG2 4.48Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.69Å
170Q97.3Very high95.9Very high50 Ų5044.6 Ų44.623%0.23423%0.233CC..Hα-helixtrans-58.6-49.2174.5-71.4179-18.400112.1L141 S166 L168 Q172 V173 L174L141-Q170 HydrophobicContact CD1-CB 3.91Å; L141-Q170 HydrophobicContact CD1-CG 3.94Å; L141-Q170 HydrophobicContact CD2-CB 4.46Å; L141-Q170 HydrophobicContact CD2-CG 4.07Å; L141-Q170 HydrophobicContact CG-CG 4.26Å; S166-Q170 WeakPolarHBondContact O-CG 3.33Å; S166-Q170 PolarHBondContact O-N 3.44Å; L168-Q170 VanDerWaalsContact C-N 3.3Å; L168-Q170 PolarHBondContact O-N 2.68Å; Q170-Q172 VanDerWaalsContact C-N 3.27Å; Q170-Q172 PolarHBondContact O-N 2.66Å; Q170-V173 PolarHBondContact O-N 3.18Å; Q170-L174 WeakPolarHBondContact O-CG 3.32Å; Q170-L174 PolarHBondContact O-N 2.79Å
171K97.6Very high96.1Very high151 Ų15148.7 Ų48.766%0.65726%0.258SS*.Hα-helixtrans-57.8-40.5175.5-73172.4-176.6-1780112G167 L168 L174 E175G167-K171 VanDerWaalsContact O-CG 3.29Å; G167-K171 WeakPolarHBondContact O-CG 3.38Å; G167-K171 PolarHBondContact O-N 2.8Å; L168-K171 PolarHBondContact O-N 3.13Å; K171-L174 PolarHBondContact O-N 3.15Å; K171-E175 WeakPolarHBondContact O-CB 3.33Å; K171-E175 PolarHBondContact O-N 3Å
172Q98.3Very high96.4Very high16 Ų1642.8 Ų42.88%0.07523%0.231CC..Hα-helixtrans-67.5-38.4178.5-71.1177.7-35.400112.9F94 V98 D101 L168 L169 Q170 E175 L176F94-Q172 VanDerWaalsContact CE1-O 3.29Å; F94-Q172 WeakPolarHBondContact CE1-O 3.3Å; F94-Q172 HydrophobicContact CZ-CB 4.19Å; F94-Q172 HydrophobicContact CZ-CG 4.4Å; V98-Q172 HydrophobicContact CG1-CB 4.32Å; V98-Q172 HydrophobicContact CG2-CB 3.84Å; V98-Q172 HydrophobicContact CG2-CG 4.12Å; D101-Q172 PolarHBondContact OD2-NE2 3.5Å; L168-Q172 WeakPolarHBondContact O-CG 3.5Å; L168-Q172 PolarHBondContact O-N 3.13Å; L168-Q172 VanDerWaalsContact O-N 3.1Å; L169-Q172 PolarHBondContact O-N 2.89Å; Q170-Q172 VanDerWaalsContact C-N 3.27Å; Q170-Q172 PolarHBondContact O-N 2.66Å; Q172-E175 PolarHBondContact O-N 2.82Å; Q172-L176 PolarHBondContact O-N 3.31Å
173V98.5Very high96.8Very high0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-63.2-44.1173.2171.70000110.5F74 F134 A137 A138 L141 L169 Q170 L176 A177 F186F74-V173 HydrophobicContact CE2-CG1 4.04Å; F134-V173 HydrophobicContact CE2-CG2 4.09Å; A137-V173 HydrophobicContact CB-CG2 4.29Å; A138-V173 HydrophobicContact CB-CG1 4.43Å; L141-V173 HydrophobicContact CB-CG1 4.49Å; L141-V173 HydrophobicContact CD1-CB 3.71Å; L141-V173 HydrophobicContact CD1-CG1 3.7Å; L141-V173 HydrophobicContact CD1-CG2 4.34Å; L169-V173 HydrophobicContact CD1-CG2 4.48Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 2.69Å; Q170-V173 PolarHBondContact O-N 3.18Å; V173-L176 PolarHBondContact O-N 3.24Å; V173-A177 PolarHBondContact O-N 3.13Å; V173-F186 HydrophobicContact CG1-CD1 4.14Å; V173-F186 HydrophobicContact CG1-CE1 4Å
174L98.3Very high97Very high18 Ų1847.2 Ų47.29%0.09426%0.259CS..Hα-helixtrans-65.8-38177.3-67.5175000112.6Q170 K171 A177 A178 F186 W187 D188Q170-L174 WeakPolarHBondContact O-CG 3.32Å; Q170-L174 PolarHBondContact O-N 2.79Å; K171-L174 PolarHBondContact O-N 3.15Å; L174-A177 WeakPolarHBondContact O-CB 3.18Å; L174-A177 PolarHBondContact O-N 3.16Å; L174-A178 WeakPolarHBondContact O-CB 3.27Å; L174-A178 PolarHBondContact O-N 3.31Å; L174-F186 HydrophobicContact CD2-CB 3.58Å; L174-F186 HydrophobicContact CD2-CG 4.39Å; L174-W187 WeakPolarHBondContact CD2-O 3.46Å; L174-D188 HydrophobicContact CD1-CB 4.41Å
175E98.4Very high97.2Very high104 Ų10449.6 Ų49.649%0.48627%0.272SS..Hα-helixtrans-63.5-43.8174.2-174.1177.2174.300111.3F94 K171 Q172 A177 A178 M179F94-E175 HydrophobicContact CE1-CB 4.46Å; F94-E175 HydrophobicContact CE2-CB 4.42Å; F94-E175 HydrophobicContact CE2-CG 3.94Å; F94-E175 WeakPolarHBondContact CE2-OE1 3.17Å; F94-E175 VanDerWaalsContact CE2-OE2 3.3Å; F94-E175 WeakPolarHBondContact CE2-OE2 3.44Å; F94-E175 HydrophobicContact CZ-CB 3.83Å; F94-E175 HydrophobicContact CZ-CG 3.84Å; F94-E175 WeakPolarHBondContact CZ-OE2 2.95Å; K171-E175 WeakPolarHBondContact O-CB 3.33Å; K171-E175 PolarHBondContact O-N 3Å; Q172-E175 PolarHBondContact O-N 2.82Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.94Å; E175-A178 PolarHBondContact O-N 2.7Å; E175-M179 WeakPolarHBondContact O-CG 3.34Å; E175-M179 PolarHBondContact O-N 3.12Å
176L98.6Very high97.3Very high0 Ų047.6 Ų47.60%026%0.262CS..Hα-helixtrans-61.1-41.9172.7179.965.9000111.6L71 F74 A91 F94 L95 F134 Q172 V173 A178 M179 L180L71-L176 HydrophobicContact CD1-CD1 4.1Å; L71-L176 HydrophobicContact CD1-CD2 4.43Å; F74-L176 HydrophobicContact CD1-CD2 3.88Å; F74-L176 HydrophobicContact CD1-CG 4.26Å; F74-L176 HydrophobicContact CD2-CD2 4.04Å; F74-L176 HydrophobicContact CE1-CD2 4.04Å; F74-L176 HydrophobicContact CE1-CG 4.03Å; F74-L176 HydrophobicContact CE2-CD2 4.18Å; F74-L176 HydrophobicContact CG-CD2 3.88Å; F74-L176 HydrophobicContact CZ-CD2 4.17Å; F74-L176 HydrophobicContact CZ-CG 4.28Å; A91-L176 HydrophobicContact CB-CD1 3.81Å; F94-L176 HydrophobicContact CD1-CB 4.17Å; F94-L176 HydrophobicContact CD1-CD1 4.24Å; F94-L176 HydrophobicContact CE1-CB 3.93Å; L95-L176 HydrophobicContact CD1-CD2 4.2Å; L95-L176 HydrophobicContact CD2-CD2 3.99Å; L95-L176 HydrophobicContact CG-CD2 4.18Å; F134-L176 HydrophobicContact CE2-CD2 4.39Å; F134-L176 HydrophobicContact CZ-CD2 3.73Å; Q172-L176 PolarHBondContact O-N 3.31Å; V173-L176 PolarHBondContact O-N 3.24Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-A178 PolarHBondContact O-N 3.35Å; L176-M179 WeakPolarHBondContact O-CB 3.31Å; L176-M179 PolarHBondContact O-N 3.06Å; L176-L180 HydrophobicContact CD1-CD1 4.19Å; L176-L180 HydrophobicContact CD1-CG 4.42Å; L176-L180 HydrophobicContact CG-CD1 4.27Å; L176-L180 WeakPolarHBondContact O-CG 3.17Å; L176-L180 PolarHBondContact O-N 3.15Å; L176-L180 VanDerWaalsContact O-N 3.09Å
177A98.3Very high97.3Very high0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-61.8-41.7177.200000111.5F74 V173 L174 E175 L180 D181 V182 Q183 F186F74-A177 HydrophobicContact CZ-CB 4Å; V173-A177 PolarHBondContact O-N 3.13Å; L174-A177 WeakPolarHBondContact O-CB 3.18Å; L174-A177 PolarHBondContact O-N 3.16Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 2.94Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 PolarHBondContact O-N 2.94Å; A177-D181 PolarHBondContact O-N 3.35Å; A177-D181 VanDerWaalsContact O-N 3.08Å; A177-V182 HydrophobicContact CB-CG2 4.18Å; A177-V182 WeakPolarHBondContact O-CG2 3.47Å; A177-V182 PolarHBondContact O-N 3.05Å; A177-Q183 HydrophobicContact CB-CB 4.3Å; A177-Q183 PolarHBondContact O-N 3.49Å; A177-F186 HydrophobicContact CB-CD2 3.61Å; A177-F186 HydrophobicContact CB-CE2 3.7Å; A177-F186 HydrophobicContact CB-CG 4.37Å
178A98.1Very high96.7Very high49 Ų4953 Ų5341%0.40527%0.272SS..Hα-helixtrans-65.6-42175.200000111.9L174 E175 L176 L180 D181 Q183L174-A178 WeakPolarHBondContact O-CB 3.27Å; L174-A178 PolarHBondContact O-N 3.31Å; E175-A178 PolarHBondContact O-N 2.7Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-A178 PolarHBondContact O-N 3.35Å; A178-L180 PolarHBondContact O-N 3.21Å; A178-D181 PolarHBondContact O-N 3.19Å; A178-D181 VanDerWaalsContact O-N 3.11Å; A178-Q183 HydrophobicContact CB-CB 4.49Å
179M97.9Very high95.3Very high58 Ų5852.7 Ų52.729%0.28627%0.271SS..Hα-helixtrans-56.9-35.9174.1-72.8178.166.600112.3L87 R90 A91 F94 E175 L176L87-M179 WeakPolarHBondContact CD1-O 3.38Å; R90-M179 HydrophobicContact CB-CE 4.08Å; A91-M179 HydrophobicContact CB-CE 4.31Å; F94-M179 HydrophobicContact CB-CE 4.2Å; F94-M179 HydrophobicContact CB-SD 3.96Å; F94-M179 HydrophobicContact CD1-SD 4.17Å; F94-M179 HydrophobicContact CD2-SD 4.29Å; F94-M179 HydrophobicContact CG-SD 3.87Å; E175-M179 WeakPolarHBondContact O-CG 3.34Å; E175-M179 PolarHBondContact O-N 3.12Å; L176-M179 WeakPolarHBondContact O-CB 3.31Å; L176-M179 PolarHBondContact O-N 3.06Å
180L97.6Very high93.3Very high10 Ų1056.3 Ų56.35%0.05230%0.296CS..THydrogen-bonded Turntrans-94.15.4-178.7-64179.8000113.8L71 F74 L80 V83 L87 A91 L176 A177 A178 V182L71-L180 HydrophobicContact CD1-CD1 4.04Å; F74-L180 HydrophobicContact CD1-CD1 3.75Å; F74-L180 HydrophobicContact CE1-CD1 3.87Å; L80-L180 HydrophobicContact CD1-CB 4.13Å; L80-L180 HydrophobicContact CD1-CD1 4.24Å; V83-L180 HydrophobicContact CG1-CD2 3.98Å; L87-L180 HydrophobicContact CD2-CD2 4.02Å; L87-L180 HydrophobicContact CG-CD2 4.05Å; A91-L180 HydrophobicContact CB-CD2 4.35Å; L176-L180 HydrophobicContact CD1-CD1 4.19Å; L176-L180 HydrophobicContact CD1-CG 4.42Å; L176-L180 HydrophobicContact CG-CD1 4.27Å; L176-L180 WeakPolarHBondContact O-CG 3.17Å; L176-L180 PolarHBondContact O-N 3.15Å; L176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 CarbonylContact O-C 3.52Å; A177-L180 PolarHBondContact O-N 2.94Å; A178-L180 PolarHBondContact O-N 3.21Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 HydrophobicContact CB-CG2 3.93Å; L180-V182 PolarHBondContact O-N 3.42Å
181D97.1Very high90.7Very high152 Ų15260.2 Ų60.281%0.81332%0.318SS*.THydrogen-bonded Turntrans5837.4-179-159.328.7000113.9A177 A178A177-D181 PolarHBondContact O-N 3.35Å; A177-D181 VanDerWaalsContact O-N 3.08Å; A178-D181 PolarHBondContact O-N 3.19Å; A178-D181 VanDerWaalsContact O-N 3.11Å
182V97.6Very high87.9Confident11 Ų1161 Ų617%0.06732%0.324CS..  trans-127.815.3-178.7-64.70000113.3F74 C78 L80 A177 L180 S184 L185 F186F74-V182 HydrophobicContact CE1-CG2 4.12Å; C78-V182 HydrophobicContact CB-CB 4.15Å; C78-V182 HydrophobicContact CB-CG1 4.08Å; C78-V182 HydrophobicContact CB-CG2 4.05Å; L80-V182 HydrophobicContact CD1-CG1 4.09Å; L80-V182 HydrophobicContact CD2-CG1 3.76Å; L80-V182 HydrophobicContact CG-CG1 4.07Å; A177-V182 HydrophobicContact CB-CG2 4.18Å; A177-V182 WeakPolarHBondContact O-CG2 3.47Å; A177-V182 PolarHBondContact O-N 3.05Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 HydrophobicContact CB-CG2 3.93Å; L180-V182 PolarHBondContact O-N 3.42Å; V182-S184 PolarHBondContact O-N 3.17Å; V182-S184 VanDerWaalsContact O-N 3.14Å; V182-L185 HydrophobicContact CB-CD1 4.07Å; V182-L185 HydrophobicContact CB-CG 4.48Å; V182-L185 HydrophobicContact CG1-CD1 4.46Å; V182-L185 WeakPolarHBondContact O-CB 3.24Å; V182-L185 PolarHBondContact O-N 3.33Å; V182-F186 HydrophobicContact CG2-CE2 4.33Å; V182-F186 WeakPolarHBondContact O-CD2 3.29Å
183Q97Very high84.9Confident83 Ų8365 Ų6539%0.38835%0.354SS..G310 helixtrans-56.5-31.3-179-169.4-178.29.400113A177 A178 L185 F186A177-Q183 HydrophobicContact CB-CB 4.3Å; A177-Q183 PolarHBondContact O-N 3.49Å; A178-Q183 HydrophobicContact CB-CB 4.49Å; Q183-L185 PolarHBondContact O-N 3.31Å; Q183-F186 PolarHBondContact O-N 2.79Å
184S96.9Very high81.8Confident92 Ų9278.5 Ų78.564%0.64341%0.407SS*.G310 helixtrans-59.7-19.3178.162.80000114K143 V182 F186K143-S184 PolarHBondContact NZ-O 2.93Å; V182-S184 PolarHBondContact O-N 3.17Å; V182-S184 VanDerWaalsContact O-N 3.14Å; S184-F186 VanDerWaalsContact C-N 3.33Å
185L97.1Very high81Confident57 Ų5781.6 Ų81.630%0.29842%0.422SS..G310 helixtrans-80.5-9.8176.9-57.5-178000113.9C78 K143 V182 Q183C78-L185 HydrophobicContact CB-CD1 3.81Å; K143-L185 VanDerWaalsContact CB-O 3.28Å; K143-L185 WeakPolarHBondContact CB-O 3.13Å; K143-L185 VanDerWaalsContact CG-O 3.23Å; K143-L185 WeakPolarHBondContact CG-O 3.25Å; K143-L185 PolarHBondContact N-O 2.99Å; V182-L185 HydrophobicContact CB-CD1 4.07Å; V182-L185 HydrophobicContact CB-CG 4.48Å; V182-L185 HydrophobicContact CG1-CD1 4.46Å; V182-L185 WeakPolarHBondContact O-CB 3.24Å; V182-L185 PolarHBondContact O-N 3.33Å; Q183-L185 PolarHBondContact O-N 3.31Å
186F97.3Very high80Confident4 Ų480.4 Ų80.42%0.01842%0.419CS..BIsolated β-bridgetrans-112.9151.7-174.5-63.9-94.9000111.7F74 L141 H142 K143 V173 L174 A177 V182 Q183 S184F74-F186 HydrophobicContact CD2-CZ 4.39Å; F74-F186 HydrophobicContact CE1-CE2 4.42Å; F74-F186 HydrophobicContact CE1-CZ 4.2Å; F74-F186 AromaticContact CE2-CE1 3.82Å; F74-F186 HydrophobicContact CE2-CE1 3.82Å; F74-F186 HydrophobicContact CE2-CE2 4.25Å; F74-F186 AromaticContact CE2-CZ 3.37Å; F74-F186 HydrophobicContact CE2-CZ 3.37Å; F74-F186 HydrophobicContact CZ-CE1 4.08Å; F74-F186 AromaticContact CZ-CE2 3.68Å; F74-F186 HydrophobicContact CZ-CE2 3.68Å; F74-F186 AromaticContact CZ-CZ 3.26Å; F74-F186 HydrophobicContact CZ-CZ 3.26Å; L141-F186 HydrophobicContact CB-CD1 3.82Å; L141-F186 WeakPolarHBondContact O-CA 3.24Å; H142-F186 HydrophobicContact CB-CD1 4.13Å; H142-F186 HydrophobicContact CB-CE1 3.86Å; H142-F186 AromaticContact CD2-CE1 3.8Å; H142-F186 AromaticContact CD2-CZ 3.56Å; K143-F186 WeakPolarHBondContact CE-O 3.39Å; K143-F186 PolarHBondContact NZ-O 2.89Å; V173-F186 HydrophobicContact CG1-CD1 4.14Å; V173-F186 HydrophobicContact CG1-CE1 4Å; L174-F186 HydrophobicContact CD2-CB 3.58Å; L174-F186 HydrophobicContact CD2-CG 4.39Å; A177-F186 HydrophobicContact CB-CD2 3.61Å; A177-F186 HydrophobicContact CB-CE2 3.7Å; A177-F186 HydrophobicContact CB-CG 4.37Å; V182-F186 HydrophobicContact CG2-CE2 4.33Å; V182-F186 WeakPolarHBondContact O-CD2 3.29Å; Q183-F186 PolarHBondContact O-N 2.79Å; S184-F186 VanDerWaalsContact C-N 3.33Å
187W93.1Very high79Confident112 Ų11284.8 Ų84.842%0.42444%0.442SS..  trans-74.1135.1168.5-62.3116.8000110L141 K143 L174L141-W187 PolarHBondContact O-N 3.29Å; K143-W187 HydrophobicContact CB-CZ2 4.3Å; K143-W187 HydrophobicContact CD-CD2 4.47Å; K143-W187 HydrophobicContact CD-CE3 4.45Å; K143-W187 HydrophobicContact CD-CZ3 4.48Å; K143-W187 HydrophobicContact CG-CD2 3.73Å; K143-W187 HydrophobicContact CG-CE3 4.18Å; K143-W187 HydrophobicContact CG-CG 4.13Å; K143-W187 HydrophobicContact CG-CH2 4.28Å; K143-W187 HydrophobicContact CG-CZ2 3.85Å; K143-W187 HydrophobicContact CG-CZ3 4.44Å; L174-W187 WeakPolarHBondContact CD2-O 3.46Å
188D84.4Confident77.9Confident57 Ų5789.8 Ų89.831%0.30547%0.468SS..  trans-117.285.8176-168.8-7.6000108.3L174 S190L174-D188 HydrophobicContact CD1-CB 4.41Å; D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.07Å; D188-S190 VanDerWaalsContact O-N 3.14Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 3.16Å; D188-S190 PolarHBondContact OD1-OG 3.06Å
189D65Low76.6Confident83 Ų8392.4 Ų92.444%0.44447%0.472SS..G310 helixtrans-73.12.8-179.3-65.3-13000112.1L191 E192D189-L191 PolarHBondContact O-N 3.02Å; D189-E192 PolarHBondContact O-N 3.1Å
190S54.8Low75.2Confident76 Ų7694.7 Ų94.753%0.53149%0.485SS..G310 helixtrans-64.7-7.6173.271.10000113.8D188D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.07Å; D188-S190 VanDerWaalsContact O-N 3.14Å; D188-S190 WeakPolarHBondContact OD1-CB 3.34Å; D188-S190 PolarHBondContact OD1-N 3.16Å; D188-S190 PolarHBondContact OD1-OG 3.06Å
191L43.4Very low73.6Confident131 Ų131100.7 Ų100.769%0.68652%0.516SS*.G310 helixtrans-100.5-6.8179.8-68.2170.4000114.9D189D189-L191 PolarHBondContact O-N 3.02Å
192E38.2Very low71.8Confident167 Ų16796.8 Ų96.878%0.7849%0.493SS*.SBendtrans-924.9-177.1-69.3-163163.300114.7D189D189-E192 PolarHBondContact O-N 3.1Å
193S34.3Very low69.6Low102 Ų102103.9 Ų103.971%0.71353%0.528SS*.  trans-101.227.2178.146.10000115.1
194Y34.1Very low67.1Low283 Ų283105.8 Ų105.8100%1.1154%0.541SS*.  trans-112.50170.7-86.2-77.8000112.7

Retrieved 194 of 194 residues in 114.7 ms (Link to these results)

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