A0A096MVI0_PAPAN Loading...

Solute carrier family 48 member 1

AlphaFold DB (A0A2K6AST5), UniProt , Accession A0A096MVI0, Species PAPAN (Papio anubis, Olive baboon), Gene SLC48A1, Length 146 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
1M43Very low59.6Low243 Ų243101.1 Ų101.1100%1.19753%0.533SS*.  0101.90-75.4-179.9-179.500108
2A48.4Very low59.9Low83 Ų8393.9 Ų93.969%0.68650%0.499SS*.PPolyproline II helixtrans-63.2128.8179.900000109.6
3P53.4Low60.7Low42 Ų4291.1 Ų91.127%0.27350%0.497SS..PPolyproline II helixtrans-63138.5179.325.5-32.4000110.2L8P3-L8 HydrophobicContact CB-CD1 4.33Å; P3-L8 HydrophobicContact CG-CD1 3.8Å
4S66.7Low61.1Low62 Ų6294 Ų9443%0.43450%0.498SS..PPolyproline II helixtrans-65.1146.1-178.564.10000111.1L6 Q7 L8S4-L6 PolarHBondContact O-N 3.38Å; S4-Q7 WeakPolarHBondContact O-CB 3.22Å; S4-Q7 PolarHBondContact O-N 3.34Å; S4-Q7 WeakPolarHBondContact OG-CG 3.49Å; S4-L8 PolarHBondContact O-N 2.95Å; S4-L8 VanDerWaalsContact O-N 3.11Å
5R60.5Low61.2Low178 Ų17887.7 Ų87.767%0.67247%0.465SS*.Hα-helixtrans-51.9-33.7-179.4-75.1-169.2170.5-162.6-5112.7L8 G9 M60R5-L8 PolarHBondContact O-N 3.16Å; R5-G9 PolarHBondContact O-N 3.49Å; R5-M60 HydrophobicContact CB-CE 3.72Å; R5-M60 HydrophobicContact CG-CE 4.04Å; R5-M60 WeakPolarHBondContact O-CE 3.23Å
6L59.7Low61.5Low139 Ų13983.4 Ų83.473%0.72845%0.448SS*.Hα-helixtrans-64.9-44.3174.4-108.1157000113.4S4 L8 G9 L10S4-L6 PolarHBondContact O-N 3.38Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 3.3Å; L6-G9 PolarHBondContact O-N 2.98Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 PolarHBondContact O-N 3.42Å
7Q64.4Low62.1Low103 Ų10385.4 Ų85.448%0.48146%0.457SS..Hα-helixtrans-65.7-35.1176-72.5177.6-9.500111.7S4 R11S4-Q7 WeakPolarHBondContact O-CB 3.22Å; S4-Q7 PolarHBondContact O-N 3.34Å; S4-Q7 WeakPolarHBondContact OG-CG 3.49Å; Q7-R11 VanDerWaalsContact O-CG 3.27Å; Q7-R11 WeakPolarHBondContact O-CG 3.17Å; Q7-R11 PolarHBondContact O-N 3.08Å; Q7-R11 VanDerWaalsContact O-N 3.1Å
8L63.5Low62.2Low3 Ų382 Ų822%0.01644%0.441CS..Hα-helixtrans-66.6-45.5175.3-133.3106.3000111.3P3 S4 R5 L6 L10 R11 A12 H56 Y59 M60P3-L8 HydrophobicContact CB-CD1 4.33Å; P3-L8 HydrophobicContact CG-CD1 3.8Å; S4-L8 PolarHBondContact O-N 2.95Å; S4-L8 VanDerWaalsContact O-N 3.11Å; R5-L8 PolarHBondContact O-N 3.16Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 PolarHBondContact O-N 3.3Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.5Å; L8-R11 PolarHBondContact O-N 3.28Å; L8-A12 WeakPolarHBondContact O-CB 3.27Å; L8-A12 PolarHBondContact O-N 3Å; L8-H56 HydrophobicContact CD2-CB 4.5Å; L8-H56 PolarHBondContact O-CD2 3.32Å; L8-Y59 HydrophobicContact CD1-CD1 4.08Å; L8-Y59 HydrophobicContact CD1-CE1 4.08Å; L8-Y59 HydrophobicContact CD2-CD1 3.4Å; L8-Y59 VanDerWaalsContact CD2-CD1 3.4Å; L8-Y59 HydrophobicContact CD2-CE1 4.19Å; L8-Y59 HydrophobicContact CD2-CG 3.94Å; L8-Y59 HydrophobicContact CG-CD1 4.38Å; L8-M60 HydrophobicContact CB-CE 3.93Å; L8-M60 HydrophobicContact CD2-CE 4.25Å; L8-M60 HydrophobicContact CD2-CG 4.2Å
9G62.6Low62.4Low33 Ų3378.1 Ų78.134%0.3442%0.42SS..Hα-helixtrans-61.9-39.6175.700000112.8R5 L6 A12 A13R5-G9 PolarHBondContact O-N 3.49Å; L6-G9 PolarHBondContact O-N 2.98Å; G9-A12 PolarHBondContact O-N 3.45Å; G9-A13 WeakPolarHBondContact O-CB 3.41Å; G9-A13 PolarHBondContact O-N 3.39Å
10L67.9Low62.9Low127 Ų12779.4 Ų79.467%0.66543%0.431SS*.Hα-helixtrans-65.5-40.2177.3-142.3103.2000111.9L6 L8 A13 Y14L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 PolarHBondContact O-N 3.42Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.5Å; L10-A13 PolarHBondContact O-N 3.08Å; L10-Y14 VanDerWaalsContact O-CB 3.31Å; L10-Y14 WeakPolarHBondContact O-CB 3.4Å; L10-Y14 PolarHBondContact O-N 3.02Å
11R65.1Low63.2Low99 Ų9977.5 Ų77.537%0.37443%0.426SS..Hα-helixtrans-66.4-38.5175.4-73.2173.6-178.2-178.13.3111.9Q7 L8 Y14 S15 Y129Q7-R11 VanDerWaalsContact O-CG 3.27Å; Q7-R11 WeakPolarHBondContact O-CG 3.17Å; Q7-R11 PolarHBondContact O-N 3.08Å; Q7-R11 VanDerWaalsContact O-N 3.1Å; L8-R11 PolarHBondContact O-N 3.28Å; R11-Y14 PolarHBondContact O-N 3.46Å; R11-S15 PolarHBondContact O-N 2.88Å; R11-Y129 PolarHBondContact NH1-OH 3.03Å
12A63.5Low64.3Low15 Ų1565.9 Ų65.912%0.12437%0.369CS..Hα-helixtrans-65.5-47173.500000111.6L8 G9 Y14 S15 G16 L53 H56L8-A12 WeakPolarHBondContact O-CB 3.27Å; L8-A12 PolarHBondContact O-N 3Å; G9-A12 PolarHBondContact O-N 3.45Å; A12-Y14 VanDerWaalsContact C-N 3.26Å; A12-Y14 PolarHBondContact O-N 3.05Å; A12-S15 PolarHBondContact O-N 3.24Å; A12-S15 PolarHBondContact O-OG 3.27Å; A12-G16 PolarHBondContact O-N 2.95Å; A12-L53 HydrophobicContact CB-CD1 4.15Å; A12-L53 WeakPolarHBondContact O-CD1 3.46Å; A12-H56 HydrophobicContact CB-CB 3.8Å
13A69.7Low65.2Low57 Ų5765.9 Ų65.947%0.47135%0.354SS..Hα-helixtrans-58.6-41.9176.100000111.4G9 L10 G16 I17G9-A13 WeakPolarHBondContact O-CB 3.41Å; G9-A13 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 3.08Å; A13-G16 PolarHBondContact O-N 3.14Å; A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 3.28Å
14Y66.7Low65.9Low132 Ų13266.9 Ų66.952%0.51836%0.362SS..Hα-helixtrans-65.9-36.8177.4-171.1-113.2000113.1L10 R11 A12 S18 W122L10-Y14 VanDerWaalsContact O-CB 3.31Å; L10-Y14 WeakPolarHBondContact O-CB 3.4Å; L10-Y14 PolarHBondContact O-N 3.02Å; R11-Y14 PolarHBondContact O-N 3.46Å; A12-Y14 VanDerWaalsContact C-N 3.26Å; A12-Y14 PolarHBondContact O-N 3.05Å; Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 3.13Å; Y14-W122 AromaticContact CD1-CH2 3.36Å; Y14-W122 HydrophobicContact CD1-CH2 3.36Å; Y14-W122 AromaticContact CD1-CZ2 3.98Å; Y14-W122 HydrophobicContact CD1-CZ2 3.98Å; Y14-W122 HydrophobicContact CD1-CZ3 4.38Å; Y14-W122 AromaticContact CE1-CH2 3.42Å; Y14-W122 HydrophobicContact CE1-CH2 3.42Å; Y14-W122 VanDerWaalsContact CE1-CH2 3.42Å; Y14-W122 AromaticContact CE1-CZ2 3.58Å; Y14-W122 HydrophobicContact CE1-CZ2 3.58Å; Y14-W122 HydrophobicContact CG-CH2 4.41Å
15S63Low65.9Low0 Ų065.6 Ų65.60%035%0.349CS..Hα-helixtrans-72.7-32.7172.874.70000112.4R11 A12 S18 S19 L53R11-S15 PolarHBondContact O-N 2.88Å; A12-S15 PolarHBondContact O-N 3.24Å; A12-S15 PolarHBondContact O-OG 3.27Å; S15-S18 PolarHBondContact O-N 3.42Å; S15-S19 PolarHBondContact O-N 3.41Å; S15-S19 PolarHBondContact O-OG 3Å; S15-L53 WeakPolarHBondContact OG-CA 3.33Å; S15-L53 PolarHBondContact OG-N 2.91Å
16G66.3Low66.2Low18 Ų1861 Ų6119%0.18633%0.334CS..Hα-helixtrans-61.9-48.8173.400000112.1A12 A13 S18 S19 V20A12-G16 PolarHBondContact O-N 2.95Å; A13-G16 PolarHBondContact O-N 3.14Å; G16-S18 VanDerWaalsContact C-N 3.26Å; G16-S18 PolarHBondContact O-N 3.3Å; G16-S19 WeakPolarHBondContact O-CB 3.5Å; G16-S19 PolarHBondContact O-N 3.41Å; G16-S19 VanDerWaalsContact O-N 3.1Å; G16-V20 PolarHBondContact O-N 3.49Å; G16-V20 VanDerWaalsContact O-N 3.1Å
17I70.4Confident66.4Low118 Ų11859.4 Ų59.461%0.60533%0.326SS*.Hα-helixtrans-59.1-40.9175.3-66.7165.2000110.8A13 S19 V20 A21A13-I17 WeakPolarHBondContact O-CG1 3.42Å; A13-I17 PolarHBondContact O-N 3.28Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.26Å; I17-V20 PolarHBondContact O-N 3.27Å; I17-A21 WeakPolarHBondContact O-CB 3.3Å; I17-A21 PolarHBondContact O-N 3.17Å
18S64.9Low66.6Low24 Ų2457.3 Ų57.317%0.16832%0.32CS..Hα-helixtrans-67.7-31.3178-57.60000112.8Y14 S15 G16 G22 W122Y14-S18 PolarHBondContact O-N 2.99Å; Y14-S18 PolarHBondContact O-OG 3.13Å; S15-S18 PolarHBondContact O-N 3.42Å; G16-S18 VanDerWaalsContact C-N 3.26Å; G16-S18 PolarHBondContact O-N 3.3Å; S18-G22 PolarHBondContact O-N 3.29Å; S18-W122 VanDerWaalsContact OG-CZ2 3.23Å; S18-W122 WeakPolarHBondContact OG-CZ2 3.26Å
19S66.1Low66.6Low7 Ų758.9 Ų58.95%0.04933%0.326CS..Hα-helixtrans-66.7-48.6174.6-54.80000110.9S15 G16 I17 A21 G22 F23 A49 L50S15-S19 PolarHBondContact O-N 3.41Å; S15-S19 PolarHBondContact O-OG 3Å; G16-S19 WeakPolarHBondContact O-CB 3.5Å; G16-S19 PolarHBondContact O-N 3.41Å; G16-S19 VanDerWaalsContact O-N 3.1Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.26Å; S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 2.86Å; S19-G22 PolarHBondContact O-N 3.13Å; S19-F23 VanDerWaalsContact O-CD2 3.25Å; S19-F23 WeakPolarHBondContact O-CD2 3.25Å; S19-F23 PolarHBondContact O-N 3.11Å; S19-A49 VanDerWaalsContact OG-CB 3.26Å; S19-A49 WeakPolarHBondContact OG-CB 3.37Å; S19-L50 WeakPolarHBondContact OG-CA 3.32Å; S19-L50 PolarHBondContact OG-N 2.91Å
20V72.9Confident66.5Low105 Ų10560.5 Ų60.564%0.63633%0.329SS*.Hα-helixtrans-61.6-41.9177.4178.10000110.6G16 I17 S24G16-V20 PolarHBondContact O-N 3.49Å; G16-V20 VanDerWaalsContact O-N 3.1Å; I17-V20 PolarHBondContact O-N 3.27Å; V20-S24 VanDerWaalsContact O-CB 3.23Å; V20-S24 WeakPolarHBondContact O-CB 3.33Å; V20-S24 PolarHBondContact O-N 3.28Å
21A68.5Low66.4Low39 Ų3959.9 Ų59.932%0.32233%0.33SS..Hα-helixtrans-62-43.6175.200000112.4I17 S19 S24 I25I17-A21 WeakPolarHBondContact O-CB 3.3Å; I17-A21 PolarHBondContact O-N 3.17Å; S19-A21 VanDerWaalsContact C-N 3.31Å; S19-A21 PolarHBondContact O-N 2.86Å; A21-S24 PolarHBondContact O-N 2.93Å; A21-I25 WeakPolarHBondContact O-CD1 3.36Å; A21-I25 WeakPolarHBondContact O-CG1 3.49Å; A21-I25 PolarHBondContact O-N 3.45Å
22G65.2Low66.4Low0 Ų059.8 Ų59.80%034%0.341CS..Hα-helixtrans-63.8-44.4177.400000113.5S18 S19 I25 F26 G42S18-G22 PolarHBondContact O-N 3.29Å; S19-G22 PolarHBondContact O-N 3.13Å; G22-I25 PolarHBondContact O-N 3.22Å; G22-F26 PolarHBondContact O-N 3.37Å; G22-G42 CarbonylContact C-O 3.31Å; G22-G42 VanDerWaalsContact C-O 3.31Å; G22-G42 VanDerWaalsContact CA-O 3.23Å; G22-G42 WeakPolarHBondContact CA-O 3.25Å; G22-G42 CarbonylContact O-C 3.32Å
23F67.7Low66.2Low83 Ų8363.4 Ų63.436%0.36435%0.352SS..Hα-helixtrans-66.8-38.4175.2-82.2-71000112.8S19 I25 F26 L27 V47 L50S19-F23 VanDerWaalsContact O-CD2 3.25Å; S19-F23 WeakPolarHBondContact O-CD2 3.25Å; S19-F23 PolarHBondContact O-N 3.11Å; F23-I25 VanDerWaalsContact C-N 3.3Å; F23-I25 PolarHBondContact O-N 3.32Å; F23-F26 WeakPolarHBondContact O-CB 2.98Å; F23-F26 PolarHBondContact O-N 3.33Å; F23-L27 WeakPolarHBondContact O-CG 3.5Å; F23-L27 PolarHBondContact O-N 3.47Å; F23-V47 HydrophobicContact CZ-CG2 3.94Å; F23-L50 HydrophobicContact CE2-CD1 3.8Å; F23-L50 HydrophobicContact CZ-CD1 4.46Å
24S69.3Low65.5Low63 Ų6371.5 Ų71.544%0.44137%0.37SS..Hα-helixtrans-60.3-42.5174.9-175.70000111.2V20 A21 L27 V28V20-S24 VanDerWaalsContact O-CB 3.23Å; V20-S24 WeakPolarHBondContact O-CB 3.33Å; V20-S24 PolarHBondContact O-N 3.28Å; A21-S24 PolarHBondContact O-N 2.93Å; S24-L27 PolarHBondContact O-N 3.38Å; S24-V28 VanDerWaalsContact O-CG2 3.31Å; S24-V28 WeakPolarHBondContact O-CG2 3.47Å; S24-V28 PolarHBondContact O-N 3.39Å
25I66.3Low65.1Low34 Ų3466.9 Ų66.917%0.17435%0.353CS..Hα-helixtrans-72.6-36179.6-73.1164.5000111.9A21 G22 F23 L27 V28 W29 W115A21-I25 WeakPolarHBondContact O-CD1 3.36Å; A21-I25 WeakPolarHBondContact O-CG1 3.49Å; A21-I25 PolarHBondContact O-N 3.45Å; G22-I25 PolarHBondContact O-N 3.22Å; F23-I25 VanDerWaalsContact C-N 3.3Å; F23-I25 PolarHBondContact O-N 3.32Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.06Å; I25-V28 PolarHBondContact O-N 3.05Å; I25-W29 HydrophobicContact CG2-CE3 4.01Å; I25-W29 WeakPolarHBondContact O-CB 3.38Å; I25-W29 PolarHBondContact O-N 3.43Å; I25-W115 HydrophobicContact CD1-CH2 3.62Å; I25-W115 HydrophobicContact CD1-CZ2 2.97Å; I25-W115 HydrophobicContact CG1-CZ2 4.31Å
26F66.9Low64.9Low82 Ų8272 Ų7236%0.3639%0.386SS..Hα-helixtrans-55.1-48.6168.6177.1-94.1000111G22 F23 T30 A39G22-F26 PolarHBondContact O-N 3.37Å; F23-F26 WeakPolarHBondContact O-CB 2.98Å; F23-F26 PolarHBondContact O-N 3.33Å; F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 3.15Å; F26-T30 PolarHBondContact O-OG1 2.92Å; F26-A39 HydrophobicContact CD2-CB 4.26Å; F26-A39 VanDerWaalsContact CD2-O 3.24Å; F26-A39 WeakPolarHBondContact CD2-O 3.43Å
27L63.9Low64.5Low105 Ų10572.2 Ų72.255%0.5539%0.389SS..Hα-helixtrans-65.5-48.4179.8-72.4170.4000112.3F23 S24 I25 T30 V31F23-L27 WeakPolarHBondContact O-CG 3.5Å; F23-L27 PolarHBondContact O-N 3.47Å; S24-L27 PolarHBondContact O-N 3.38Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.06Å; L27-T30 PolarHBondContact O-N 3.11Å; L27-V31 WeakPolarHBondContact O-CB 3.43Å; L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.09Å
28V68.7Low63.9Low59 Ų5966.7 Ų66.736%0.35836%0.36SS..Hα-helixtrans-62.8-46.5-178.8172.40000111.1S24 I25 V32 Y33S24-V28 VanDerWaalsContact O-CG2 3.31Å; S24-V28 WeakPolarHBondContact O-CG2 3.47Å; S24-V28 PolarHBondContact O-N 3.39Å; I25-V28 PolarHBondContact O-N 3.05Å; V28-V32 HydrophobicContact CG1-CG2 4.45Å; V28-V32 WeakPolarHBondContact O-CB 3.07Å; V28-V32 WeakPolarHBondContact O-CG2 3.33Å; V28-V32 PolarHBondContact O-N 2.96Å; V28-Y33 HydrophobicContact CG1-CD2 4.35Å; V28-Y33 HydrophobicContact CG1-CE2 4.19Å
29W62.1Low63.8Low37 Ų3765.6 Ų65.614%0.1435%0.353CS..Hα-helixtrans-75.2-26.9-178.7-103.6-98000113.9I25 Y33 R34 T38 A39 L111I25-W29 HydrophobicContact CG2-CE3 4.01Å; I25-W29 WeakPolarHBondContact O-CB 3.38Å; I25-W29 PolarHBondContact O-N 3.43Å; W29-Y33 AromaticContact CD2-CD2 3.94Å; W29-Y33 HydrophobicContact CD2-CD2 3.94Å; W29-Y33 AromaticContact CE2-CD2 3.96Å; W29-Y33 HydrophobicContact CE3-CD2 4.31Å; W29-Y33 HydrophobicContact CG-CD2 4.23Å; W29-Y33 HydrophobicContact CH2-CE2 4.46Å; W29-Y33 HydrophobicContact CZ2-CD2 4.36Å; W29-Y33 HydrophobicContact CZ2-CE2 4.41Å; W29-R34 PolarHBondContact O-N 3.35Å; W29-T38 VanDerWaalsContact CD1-CB 3.49Å; W29-T38 HydrophobicContact CD2-CG2 4.18Å; W29-T38 HydrophobicContact CG-CG2 4.01Å; W29-A39 HydrophobicContact CB-CB 4.08Å; W29-L111 HydrophobicContact CZ2-CD1 4.48Å
30T62.4Low63.7Low66 Ų6667.5 Ų67.541%0.40537%0.369SS..Hα-helixtrans-73.6-43.3174.6-54.60000111.5F26 L27 A39F26-T30 WeakPolarHBondContact O-CB 3.4Å; F26-T30 PolarHBondContact O-N 3.15Å; F26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 PolarHBondContact O-N 3.11Å; T30-A39 VanDerWaalsContact OG1-CB 3.24Å; T30-A39 WeakPolarHBondContact OG1-CB 3.33Å
31V65.8Low63.2Low114 Ų11462.8 Ų62.869%0.69134%0.34SS*.Hα-helixtrans-85.8-40.7-173.6178.20000112.3L27L27-V31 WeakPolarHBondContact O-CB 3.43Å; L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.41Å; L27-V31 PolarHBondContact O-N 3.09Å
32V64.4Low62.9Low98 Ų9861 Ų6159%0.59433%0.325SS*.THydrogen-bonded Turntrans-94.6-51-171.7-176.70000111.9V28V28-V32 HydrophobicContact CG1-CG2 4.45Å; V28-V32 WeakPolarHBondContact O-CB 3.07Å; V28-V32 WeakPolarHBondContact O-CG2 3.33Å; V28-V32 PolarHBondContact O-N 2.96Å
33Y58.3Low62.9Low90 Ų9061.3 Ų61.335%0.35333%0.329SS..SBendtrans-95.2-8.5-167.9-70.2-78.6000114.5V28 W29 Q35 T107V28-Y33 HydrophobicContact CG1-CD2 4.35Å; V28-Y33 HydrophobicContact CG1-CE2 4.19Å; W29-Y33 AromaticContact CD2-CD2 3.94Å; W29-Y33 HydrophobicContact CD2-CD2 3.94Å; W29-Y33 AromaticContact CE2-CD2 3.96Å; W29-Y33 HydrophobicContact CE3-CD2 4.31Å; W29-Y33 HydrophobicContact CG-CD2 4.23Å; W29-Y33 HydrophobicContact CH2-CE2 4.46Å; W29-Y33 HydrophobicContact CZ2-CD2 4.36Å; W29-Y33 HydrophobicContact CZ2-CE2 4.41Å; Y33-Q35 PolarHBondContact O-N 3.48Å; Y33-T107 HydrophobicContact CD1-CG2 3.78Å; Y33-T107 HydrophobicContact CE1-CG2 4.38Å
34R56.1Low62.7Low227 Ų22759.6 Ų59.686%0.85732%0.323SS*.  trans4924.2-179.6-97.4-176.7166.6170-2.9113.9W29 P36W29-R34 PolarHBondContact O-N 3.35Å; R34-P36 WeakPolarHBondContact O-CD 3.45Å
35Q57.9Low62.4Low36 Ų3656.7 Ų56.717%0.16830%0.303CS..  trans-99.698177.2-91.8-161-27.100109.4Y33 G37 A39 T107Y33-Q35 PolarHBondContact O-N 3.48Å; Q35-G37 PolarHBondContact O-N 3.41Å; Q35-A39 PolarHBondContact O-N 2.96Å; Q35-T107 PolarHBondContact NE2-O 3.05Å; Q35-T107 PolarHBondContact OE1-O 3.24Å
36P57.8Low62.1Low106 Ų10655.1 Ų55.169%0.68830%0.295SS*.Hα-helixtrans-66-24.5-17325.3-34.3000113.1R34 A40R34-P36 WeakPolarHBondContact O-CD 3.45Å; P36-A40 VanDerWaalsContact O-CB 3.23Å; P36-A40 WeakPolarHBondContact O-CB 3.14Å; P36-A40 PolarHBondContact O-N 3.47Å
37G59Low62.1Low23 Ų2354 Ų5424%0.23730%0.295CS..Hα-helixtrans-66.9-51.5-179.200000113.5Q35 A40 M41Q35-G37 PolarHBondContact O-N 3.41Å; G37-A40 PolarHBondContact O-N 3Å; G37-M41 PolarHBondContact O-N 3.41Å
38T58.5Low62Low2 Ų249.3 Ų49.31%0.01227%0.27CS..Hα-helixtrans-68.5-38.1179.4-440000111.3W29 M41 G42 S112W29-T38 VanDerWaalsContact CD1-CB 3.49Å; W29-T38 HydrophobicContact CD2-CG2 4.18Å; W29-T38 HydrophobicContact CG-CG2 4.01Å; T38-M41 PolarHBondContact O-N 2.96Å; T38-G42 PolarHBondContact O-N 3.18Å; T38-S112 VanDerWaalsContact CA-OG 3.23Å; T38-S112 WeakPolarHBondContact CA-OG 3.39Å; T38-S112 WeakPolarHBondContact CB-OG 3.23Å; T38-S112 PolarHBondContact N-OG 3.48Å; T38-S112 PolarHBondContact OG1-OG 2.92Å
39A61.8Low61.6Low2 Ų246.5 Ų46.52%0.01725%0.253CS..Hα-helixtrans-58.9-55.8173.700000110.7F26 W29 T30 Q35 M41 G42 G43F26-A39 HydrophobicContact CD2-CB 4.26Å; F26-A39 VanDerWaalsContact CD2-O 3.24Å; F26-A39 WeakPolarHBondContact CD2-O 3.43Å; W29-A39 HydrophobicContact CB-CB 4.08Å; T30-A39 VanDerWaalsContact OG1-CB 3.24Å; T30-A39 WeakPolarHBondContact OG1-CB 3.33Å; Q35-A39 PolarHBondContact O-N 2.96Å; A39-M41 PolarHBondContact O-N 3.45Å; A39-G42 PolarHBondContact O-N 3.15Å; A39-G42 VanDerWaalsContact O-N 3.17Å; A39-G43 PolarHBondContact O-N 2.94Å
40A63.8Low61.6Low47 Ų4748.1 Ų48.139%0.38826%0.264SS..Hα-helixtrans-54.9-41179.100000111.9P36 G37 G43 L44P36-A40 VanDerWaalsContact O-CB 3.23Å; P36-A40 WeakPolarHBondContact O-CB 3.14Å; P36-A40 PolarHBondContact O-N 3.47Å; G37-A40 PolarHBondContact O-N 3Å; A40-G43 PolarHBondContact O-N 2.87Å; A40-L44 WeakPolarHBondContact O-CB 3.31Å; A40-L44 WeakPolarHBondContact O-CD1 3.46Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.15Å
41M62.8Low61.7Low6 Ų648.4 Ų48.43%0.0326%0.258CS..Hα-helixtrans-68.2-43.8177-88.3-62.5169.500114.7G37 T38 A39 G43 L44 A45 A88 F92 S116G37-M41 PolarHBondContact O-N 3.41Å; T38-M41 PolarHBondContact O-N 2.96Å; A39-M41 PolarHBondContact O-N 3.45Å; M41-G43 VanDerWaalsContact C-N 3.31Å; M41-G43 PolarHBondContact O-N 3.07Å; M41-L44 HydrophobicContact CE-CD1 4.35Å; M41-L44 PolarHBondContact O-N 3.38Å; M41-L44 HydrophobicContact SD-CD1 4.17Å; M41-A45 WeakPolarHBondContact O-CB 3.42Å; M41-A45 PolarHBondContact O-N 3.44Å; M41-A88 HydrophobicContact CE-CB 2.96Å; M41-F92 HydrophobicContact CE-CE2 4.22Å; M41-F92 HydrophobicContact CG-CE2 3.85Å; M41-S116 PolarHBondContact SD-OG 3.1Å; M41-S116 VanDerWaalsContact SD-OG 3.38Å
42G62.1Low61.5Low0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-62.2-40174.500000112G22 T38 A39 A45 G46G22-G42 CarbonylContact C-O 3.31Å; G22-G42 VanDerWaalsContact C-O 3.31Å; G22-G42 VanDerWaalsContact CA-O 3.23Å; G22-G42 WeakPolarHBondContact CA-O 3.25Å; G22-G42 CarbonylContact O-C 3.32Å; T38-G42 PolarHBondContact O-N 3.18Å; A39-G42 PolarHBondContact O-N 3.15Å; A39-G42 VanDerWaalsContact O-N 3.17Å; G42-A45 WeakPolarHBondContact O-CB 3.33Å; G42-A45 PolarHBondContact O-N 3.29Å; G42-G46 PolarHBondContact O-N 2.97Å
43G64.5Low61.4Low8 Ų840.5 Ų40.58%0.08221%0.208CC..Hα-helixtrans-65.1-45.5174.800000112.7A39 A40 M41 A45 G46 V47A39-G43 PolarHBondContact O-N 2.94Å; A40-G43 PolarHBondContact O-N 2.87Å; M41-G43 VanDerWaalsContact C-N 3.31Å; M41-G43 PolarHBondContact O-N 3.07Å; G43-A45 VanDerWaalsContact C-N 3.34Å; G43-A45 PolarHBondContact O-N 3.32Å; G43-G46 PolarHBondContact O-N 3.25Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G43-V47 WeakPolarHBondContact O-CG2 3.4Å; G43-V47 PolarHBondContact O-N 3.02Å
44L64.9Low61.7Low46 Ų4638.5 Ų38.524%0.24121%0.205CC..Hα-helixtrans-57.8-45.1174.1-77.5166.4000111.6A40 M41 G46 V47 L48 F81A40-L44 WeakPolarHBondContact O-CB 3.31Å; A40-L44 WeakPolarHBondContact O-CD1 3.46Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.15Å; M41-L44 HydrophobicContact CE-CD1 4.35Å; M41-L44 PolarHBondContact O-N 3.38Å; M41-L44 HydrophobicContact SD-CD1 4.17Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.2Å; L44-V47 PolarHBondContact O-N 3Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.98Å; L44-F81 HydrophobicContact CD2-CD1 3.82Å; L44-F81 HydrophobicContact CD2-CE1 3.17Å; L44-F81 HydrophobicContact CD2-CZ 3.97Å
45A62.3Low62Low3 Ų328.4 Ų28.43%0.02517%0.169CC..Hα-helixtrans-58.8-42.817500000112M41 G42 G43 L48 A49 W115 S119M41-A45 WeakPolarHBondContact O-CB 3.42Å; M41-A45 PolarHBondContact O-N 3.44Å; G42-A45 WeakPolarHBondContact O-CB 3.33Å; G42-A45 PolarHBondContact O-N 3.29Å; G43-A45 VanDerWaalsContact C-N 3.34Å; G43-A45 PolarHBondContact O-N 3.32Å; A45-L48 PolarHBondContact O-N 2.99Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 2.85Å; A45-W115 HydrophobicContact CB-CE3 3.69Å; A45-W115 HydrophobicContact CB-CZ3 3.58Å; A45-S119 WeakPolarHBondContact CB-OG 3.41Å
46G61.1Low62.2Low0 Ų026.9 Ų26.90%016%0.162CC..Hα-helixtrans-63.3-46.3178.400000112.6G42 G43 L44 A49 L50G42-G46 PolarHBondContact O-N 2.97Å; G43-G46 PolarHBondContact O-N 3.25Å; G43-G46 VanDerWaalsContact O-N 3.15Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.2Å; G46-A49 PolarHBondContact O-N 2.95Å; G46-L50 WeakPolarHBondContact O-CB 2.97Å; G46-L50 PolarHBondContact O-N 3.29Å
47V65.2Low62.4Low58 Ų5825.5 Ų25.535%0.35215%0.148SC..Hα-helixtrans-63.7-41.9177.4174.80000111.4F23 G43 L44 L50 W51F23-V47 HydrophobicContact CZ-CG2 3.94Å; G43-V47 WeakPolarHBondContact O-CG2 3.4Å; G43-V47 PolarHBondContact O-N 3.02Å; L44-V47 PolarHBondContact O-N 3Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 PolarHBondContact O-N 3.42Å; V47-W51 VanDerWaalsContact O-CD1 3.29Å; V47-W51 PolarHBondContact O-N 3.1Å
48L61.9Low62.7Low7 Ų726.6 Ų26.64%0.03715%0.147CC..Hα-helixtrans-63.5-43.2176.6-77.8165.9000112.5L44 A45 L50 W51 V52 F81 A123L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.98Å; A45-L48 PolarHBondContact O-N 2.99Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 3.45Å; L48-W51 WeakPolarHBondContact O-CB 3.47Å; L48-W51 PolarHBondContact O-N 3.21Å; L48-V52 WeakPolarHBondContact O-CG2 3.23Å; L48-V52 PolarHBondContact O-N 3.49Å; L48-F81 HydrophobicContact CD1-CD1 4.21Å; L48-F81 HydrophobicContact CD2-CB 3.88Å; L48-F81 HydrophobicContact CD2-CD1 4.06Å; L48-F81 HydrophobicContact CD2-CG 4.28Å; L48-F81 HydrophobicContact CG-CD1 4.08Å; L48-A123 HydrophobicContact CD1-CB 4.3Å; L48-A123 HydrophobicContact CD2-CB 4.39Å
49A61.8Low62.6Low0 Ų029.8 Ų29.80%016%0.16CC..Hα-helixtrans-65.1-34.2176.900000111.9S19 A45 G46 W51 V52 L53S19-A49 VanDerWaalsContact OG-CB 3.26Å; S19-A49 WeakPolarHBondContact OG-CB 3.37Å; A45-A49 WeakPolarHBondContact O-CB 3.49Å; A45-A49 PolarHBondContact O-N 2.85Å; G46-A49 PolarHBondContact O-N 2.95Å; A49-W51 VanDerWaalsContact C-N 3.32Å; A49-V52 PolarHBondContact O-N 3Å; A49-L53 PolarHBondContact O-N 2.79Å
50L60.8Low62.5Low71 Ų7133 Ų3337%0.37218%0.175SC..Hα-helixtrans-68.1-36.4175.7-153.3155.4000110.4S19 F23 G46 V47 L48 L53 V54S19-L50 WeakPolarHBondContact OG-CA 3.32Å; S19-L50 PolarHBondContact OG-N 2.91Å; F23-L50 HydrophobicContact CE2-CD1 3.8Å; F23-L50 HydrophobicContact CZ-CD1 4.46Å; G46-L50 WeakPolarHBondContact O-CB 2.97Å; G46-L50 PolarHBondContact O-N 3.29Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 PolarHBondContact O-N 3.42Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 3.45Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 2.98Å; L50-V54 HydrophobicContact CD2-CG2 4.16Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.39Å
51W64.5Low62.1Low73 Ų7336.5 Ų36.528%0.27718%0.183SC..Hα-helixtrans-66.5-38.3172.4-90.461000113.6V47 L48 A49 L53 V54 T55 F74 V77 L126V47-W51 VanDerWaalsContact O-CD1 3.29Å; V47-W51 PolarHBondContact O-N 3.1Å; L48-W51 WeakPolarHBondContact O-CB 3.47Å; L48-W51 PolarHBondContact O-N 3.21Å; A49-W51 VanDerWaalsContact C-N 3.32Å; W51-L53 VanDerWaalsContact C-N 3.32Å; W51-V54 PolarHBondContact O-N 3.35Å; W51-T55 PolarHBondContact O-N 3.32Å; W51-T55 PolarHBondContact O-OG1 3.43Å; W51-F74 HydrophobicContact CB-CE1 4.09Å; W51-F74 HydrophobicContact CB-CZ 4.44Å; W51-F74 HydrophobicContact CD2-CD1 4.04Å; W51-F74 HydrophobicContact CD2-CD2 4.49Å; W51-F74 AromaticContact CD2-CE1 3.33Å; W51-F74 HydrophobicContact CD2-CE1 3.33Å; W51-F74 AromaticContact CD2-CE2 3.84Å; W51-F74 HydrophobicContact CD2-CE2 3.84Å; W51-F74 AromaticContact CD2-CZ 3.18Å; W51-F74 HydrophobicContact CD2-CZ 3.18Å; W51-F74 AromaticContact CE2-CE2 3.76Å; W51-F74 AromaticContact CE2-CZ 3.48Å; W51-F74 VanDerWaalsContact CE2-CZ 3.48Å; W51-F74 AromaticContact CE3-CD1 3.09Å; W51-F74 HydrophobicContact CE3-CD1 3.09Å; W51-F74 AromaticContact CE3-CD2 3.8Å; W51-F74 HydrophobicContact CE3-CD2 3.8Å; W51-F74 AromaticContact CE3-CE1 2.84Å; W51-F74 HydrophobicContact CE3-CE1 2.84Å; W51-F74 AromaticContact CE3-CE2 3.59Å; W51-F74 HydrophobicContact CE3-CE2 3.59Å; W51-F74 AromaticContact CE3-CG 3.56Å; W51-F74 HydrophobicContact CE3-CG 3.56Å; W51-F74 AromaticContact CE3-CZ 3.1Å; W51-F74 HydrophobicContact CE3-CZ 3.1Å; W51-F74 AromaticContact CG-CE1 3.96Å; W51-F74 HydrophobicContact CG-CE1 3.96Å; W51-F74 AromaticContact CG-CZ 3.91Å; W51-F74 HydrophobicContact CG-CZ 3.91Å; W51-F74 HydrophobicContact CH2-CB 4.44Å; W51-F74 HydrophobicContact CH2-CD1 4Å; W51-F74 AromaticContact CH2-CD2 3.04Å; W51-F74 HydrophobicContact CH2-CD2 3.04Å; W51-F74 AromaticContact CH2-CE1 3.98Å; W51-F74 HydrophobicContact CH2-CE1 3.98Å; W51-F74 AromaticContact CH2-CE2 2.99Å; W51-F74 HydrophobicContact CH2-CE2 2.99Å; W51-F74 AromaticContact CH2-CG 3.57Å; W51-F74 HydrophobicContact CH2-CG 3.57Å; W51-F74 AromaticContact CH2-CZ 3.48Å; W51-F74 HydrophobicContact CH2-CZ 3.48Å; W51-F74 VanDerWaalsContact CH2-CZ 3.48Å; W51-F74 AromaticContact CZ2-CD2 3.9Å; W51-F74 HydrophobicContact CZ2-CD2 3.9Å; W51-F74 HydrophobicContact CZ2-CE1 4.38Å; W51-F74 AromaticContact CZ2-CE2 3.32Å; W51-F74 HydrophobicContact CZ2-CE2 3.32Å; W51-F74 AromaticContact CZ2-CZ 3.6Å; W51-F74 HydrophobicContact CZ2-CZ 3.6Å; W51-F74 HydrophobicContact CZ3-CB 3.81Å; W51-F74 AromaticContact CZ3-CD1 3.09Å; W51-F74 HydrophobicContact CZ3-CD1 3.09Å; W51-F74 AromaticContact CZ3-CD2 3.04Å; W51-F74 HydrophobicContact CZ3-CD2 3.04Å; W51-F74 AromaticContact CZ3-CE1 3.26Å; W51-F74 HydrophobicContact CZ3-CE1 3.26Å; W51-F74 AromaticContact CZ3-CE2 3.19Å; W51-F74 HydrophobicContact CZ3-CE2 3.19Å; W51-F74 AromaticContact CZ3-CG 2.98Å; W51-F74 HydrophobicContact CZ3-CG 2.98Å; W51-F74 AromaticContact CZ3-CZ 3.28Å; W51-F74 HydrophobicContact CZ3-CZ 3.28Å; W51-V77 HydrophobicContact CZ3-CB 4.24Å; W51-V77 HydrophobicContact CZ3-CG1 4.34Å; W51-L126 HydrophobicContact CB-CD2 4.44Å
52V62.9Low61.9Low3 Ų342.2 Ų42.22%0.01821%0.214CC..Hα-helixtrans-63.1-39.8171.3174.60000111.1L48 A49 T55 H56 L126L48-V52 WeakPolarHBondContact O-CG2 3.23Å; L48-V52 PolarHBondContact O-N 3.49Å; A49-V52 PolarHBondContact O-N 3Å; V52-T55 WeakPolarHBondContact CA-OG1 3.49Å; V52-T55 PolarHBondContact O-N 2.98Å; V52-T55 PolarHBondContact O-OG1 2.84Å; V52-H56 PolarHBondContact O-N 3.45Å; V52-H56 VanDerWaalsContact O-N 3.15Å; V52-H56 PolarHBondContact O-ND1 3.1Å; V52-L126 HydrophobicContact CB-CD1 4.24Å; V52-L126 HydrophobicContact CG2-CB 3.77Å; V52-L126 HydrophobicContact CG2-CD1 3.59Å; V52-L126 HydrophobicContact CG2-CG 4.17Å
53L61Low61.5Low43 Ų4348.3 Ų48.323%0.22524%0.238CC..Hα-helixtrans-62.1-48.2175.5-172.391.1000110.9A12 S15 A49 L50 W51 T55 H56 I57A12-L53 HydrophobicContact CB-CD1 4.15Å; A12-L53 WeakPolarHBondContact O-CD1 3.46Å; S15-L53 WeakPolarHBondContact OG-CA 3.33Å; S15-L53 PolarHBondContact OG-N 2.91Å; A49-L53 PolarHBondContact O-N 2.79Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 2.98Å; W51-L53 VanDerWaalsContact C-N 3.32Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 2.97Å; L53-H56 PolarHBondContact O-N 3.36Å; L53-H56 VanDerWaalsContact O-N 3.11Å; L53-I57 HydrophobicContact CD2-CD1 3.91Å; L53-I57 HydrophobicContact CG-CD1 3.9Å; L53-I57 WeakPolarHBondContact O-CG1 3.4Å; L53-I57 PolarHBondContact O-N 3.45Å
54V64.7Low60.9Low47 Ų4749.7 Ų49.729%0.28524%0.241SC..Hα-helixtrans-59.4-41.4179.3169.40000111.2L50 W51 H56 I57 M58 W67 F74L50-V54 HydrophobicContact CD2-CG2 4.16Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.27Å; L50-V54 PolarHBondContact O-N 3.39Å; W51-V54 PolarHBondContact O-N 3.35Å; V54-H56 VanDerWaalsContact C-N 3.35Å; V54-H56 PolarHBondContact O-N 3.26Å; V54-I57 PolarHBondContact O-N 2.83Å; V54-M58 VanDerWaalsContact O-CB 3.27Å; V54-M58 WeakPolarHBondContact O-CB 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.16Å; V54-M58 PolarHBondContact O-N 3.45Å; V54-W67 HydrophobicContact CG1-CH2 4.36Å; V54-F74 HydrophobicContact CB-CZ 4.4Å; V54-F74 HydrophobicContact CG1-CZ 3.98Å
55T62.4Low60.3Low15 Ų1559.1 Ų59.19%0.09227%0.273CS..Hα-helixtrans-64.9-36.1176.222.30000112.8W51 V52 L53 Y59 L71 F74 L126W51-T55 PolarHBondContact O-N 3.32Å; W51-T55 PolarHBondContact O-OG1 3.43Å; V52-T55 WeakPolarHBondContact CA-OG1 3.49Å; V52-T55 PolarHBondContact O-N 2.98Å; V52-T55 PolarHBondContact O-OG1 2.84Å; L53-T55 VanDerWaalsContact C-N 3.3Å; L53-T55 PolarHBondContact O-N 2.97Å; T55-Y59 WeakPolarHBondContact O-CB 3.38Å; T55-Y59 PolarHBondContact O-N 3.31Å; T55-L71 HydrophobicContact CG2-CD1 4.44Å; T55-F74 HydrophobicContact CG2-CD1 4.11Å; T55-F74 HydrophobicContact CG2-CE1 4.18Å; T55-L126 HydrophobicContact CG2-CD1 4.48Å; T55-L126 WeakPolarHBondContact OG1-CD1 3.32Å
56H62.6Low59.8Low4 Ų464.9 Ų64.92%0.01931%0.309CS..Hα-helixtrans-70.1-39.4174.1-77.770.1000112.8L8 A12 V52 L53 V54 Y59 M60L8-H56 HydrophobicContact CD2-CB 4.5Å; L8-H56 PolarHBondContact O-CD2 3.32Å; A12-H56 HydrophobicContact CB-CB 3.8Å; V52-H56 PolarHBondContact O-N 3.45Å; V52-H56 VanDerWaalsContact O-N 3.15Å; V52-H56 PolarHBondContact O-ND1 3.1Å; L53-H56 PolarHBondContact O-N 3.36Å; L53-H56 VanDerWaalsContact O-N 3.11Å; V54-H56 VanDerWaalsContact C-N 3.35Å; V54-H56 PolarHBondContact O-N 3.26Å; H56-Y59 WeakPolarHBondContact O-CB 3.41Å; H56-Y59 PolarHBondContact O-N 3.1Å; H56-M60 PolarHBondContact O-N 2.98Å; H56-M60 VanDerWaalsContact O-N 3.09Å
57I62.4Low59.7Low78 Ų7868.7 Ų68.740%0.432%0.323SS..Hα-helixtrans-65.9-43.4176.6-66.9169000110.2L53 V54 Y59 M60 Q61L53-I57 HydrophobicContact CD2-CD1 3.91Å; L53-I57 HydrophobicContact CG-CD1 3.9Å; L53-I57 WeakPolarHBondContact O-CG1 3.4Å; L53-I57 PolarHBondContact O-N 3.45Å; V54-I57 PolarHBondContact O-N 2.83Å; I57-Y59 VanDerWaalsContact C-N 3.32Å; I57-Y59 PolarHBondContact O-N 3.47Å; I57-M60 WeakPolarHBondContact O-CB 3.33Å; I57-M60 PolarHBondContact O-N 2.97Å; I57-M60 VanDerWaalsContact O-N 3.08Å; I57-Q61 HydrophobicContact CG2-CG 4.39Å; I57-Q61 PolarHBondContact O-N 2.85Å
58M64.2Low59.2Low46 Ų4670.9 Ų70.923%0.22733%0.332CS..Hα-helixtrans-58.3-42.3174.4-92.4-93.1177.300112.7V54 M60 Q61 W67V54-M58 VanDerWaalsContact O-CB 3.27Å; V54-M58 WeakPolarHBondContact O-CB 3.24Å; V54-M58 WeakPolarHBondContact O-CG 3.16Å; V54-M58 PolarHBondContact O-N 3.45Å; M58-M60 VanDerWaalsContact C-N 3.3Å; M58-M60 PolarHBondContact O-N 3.32Å; M58-Q61 PolarHBondContact O-N 2.96Å; M58-W67 HydrophobicContact CB-CZ3 4.14Å; M58-W67 HydrophobicContact CE-CB 4.48Å; M58-W67 HydrophobicContact CE-CD2 3.21Å; M58-W67 HydrophobicContact CE-CE3 3.25Å; M58-W67 HydrophobicContact CE-CG 3.83Å; M58-W67 HydrophobicContact CE-CH2 3.56Å; M58-W67 HydrophobicContact CE-CZ2 3.58Å; M58-W67 HydrophobicContact CE-CZ3 3.42Å; M58-W67 VanDerWaalsContact CE-CZ3 3.42Å; M58-W67 HydrophobicContact CG-CE3 3.86Å; M58-W67 HydrophobicContact CG-CH2 3.92Å; M58-W67 HydrophobicContact CG-CZ3 3.36Å; M58-W67 HydrophobicContact SD-CD2 3.61Å; M58-W67 HydrophobicContact SD-CE3 3.01Å; M58-W67 HydrophobicContact SD-CG 4.3Å; M58-W67 HydrophobicContact SD-CH2 3.97Å; M58-W67 HydrophobicContact SD-CZ2 4.49Å; M58-W67 HydrophobicContact SD-CZ3 3.22Å; M58-W67 WeakPolarHBondContact SD-CZ3 3.24Å
59Y57.4Low58.9Low68 Ų6879.9 Ų79.927%0.26737%0.371SS..Hα-helixtrans-62-38174.1-169.4-84.8000112.1L8 T55 H56 I57 W64 Y133L8-Y59 HydrophobicContact CD1-CD1 4.08Å; L8-Y59 HydrophobicContact CD1-CE1 4.08Å; L8-Y59 HydrophobicContact CD2-CD1 3.4Å; L8-Y59 VanDerWaalsContact CD2-CD1 3.4Å; L8-Y59 HydrophobicContact CD2-CE1 4.19Å; L8-Y59 HydrophobicContact CD2-CG 3.94Å; L8-Y59 HydrophobicContact CG-CD1 4.38Å; T55-Y59 WeakPolarHBondContact O-CB 3.38Å; T55-Y59 PolarHBondContact O-N 3.31Å; H56-Y59 WeakPolarHBondContact O-CB 3.41Å; H56-Y59 PolarHBondContact O-N 3.1Å; I57-Y59 VanDerWaalsContact C-N 3.32Å; I57-Y59 PolarHBondContact O-N 3.47Å; Y59-W64 HydrophobicContact CD2-CE3 4.33Å; Y59-W64 AromaticContact CD2-CH2 3.58Å; Y59-W64 HydrophobicContact CD2-CH2 3.58Å; Y59-W64 AromaticContact CD2-CZ3 3.18Å; Y59-W64 HydrophobicContact CD2-CZ3 3.18Å; Y59-W64 AromaticContact CE2-CH2 3.64Å; Y59-W64 HydrophobicContact CE2-CH2 3.64Å; Y59-W64 AromaticContact CE2-CZ3 3.33Å; Y59-W64 HydrophobicContact CE2-CZ3 3.33Å; Y59-W64 HydrophobicContact CG-CZ3 4.15Å; Y59-Y133 AromaticContact CD2-CD1 3.55Å; Y59-Y133 HydrophobicContact CD2-CD1 3.55Å; Y59-Y133 AromaticContact CD2-CE1 3.08Å; Y59-Y133 HydrophobicContact CD2-CE1 3.08Å; Y59-Y133 HydrophobicContact CD2-CE2 4.21Å; Y59-Y133 HydrophobicContact CD2-CG 4.3Å; Y59-Y133 AromaticContact CD2-CZ 3.43Å; Y59-Y133 VanDerWaalsContact CD2-CZ 3.43Å; Y59-Y133 AromaticContact CE2-CD1 3.33Å; Y59-Y133 HydrophobicContact CE2-CD1 3.33Å; Y59-Y133 AromaticContact CE2-CE1 2.94Å; Y59-Y133 HydrophobicContact CE2-CE1 2.94Å; Y59-Y133 HydrophobicContact CE2-CG 4.42Å; Y59-Y133 AromaticContact CE2-CZ 3.78Å; Y59-Y133 HydrophobicContact CG-CE1 4.05Å; Y59-Y133 AromaticContact CZ-CE1 3.76Å
60M58.3Low58.7Low70 Ų7081.3 Ų81.335%0.34539%0.385SS..Hα-helixtrans-71.9-30.1179.6-84.5-90.5170.700113.8R5 L8 H56 I57 M58R5-M60 HydrophobicContact CB-CE 3.72Å; R5-M60 HydrophobicContact CG-CE 4.04Å; R5-M60 WeakPolarHBondContact O-CE 3.23Å; L8-M60 HydrophobicContact CB-CE 3.93Å; L8-M60 HydrophobicContact CD2-CE 4.25Å; L8-M60 HydrophobicContact CD2-CG 4.2Å; H56-M60 PolarHBondContact O-N 2.98Å; H56-M60 VanDerWaalsContact O-N 3.09Å; I57-M60 WeakPolarHBondContact O-CB 3.33Å; I57-M60 PolarHBondContact O-N 2.97Å; I57-M60 VanDerWaalsContact O-N 3.08Å; M58-M60 VanDerWaalsContact C-N 3.3Å; M58-M60 PolarHBondContact O-N 3.32Å
61Q57Low58.6Low120 Ų12079.7 Ų79.756%0.56138%0.377SS*.THydrogen-bonded Turntrans-91.46.3-173.3-69.6-159.2-22.300115.1I57 M58 Y63I57-Q61 HydrophobicContact CG2-CG 4.39Å; I57-Q61 PolarHBondContact O-N 2.85Å; M58-Q61 PolarHBondContact O-N 2.96Å; Q61-Y63 HydrophobicContact CB-CD2 3.83Å; Q61-Y63 PolarHBondContact O-N 3.35Å
62D58.5Low58.3Low127 Ų12786 Ų8668%0.67940%0.4SS*.THydrogen-bonded Turntrans55.821.9178.3-105.2-59.8000114.2W64D62-W64 PolarHBondContact O-N 2.94Å
63Y53.6Low58Low127 Ų12787.8 Ų87.850%0.49842%0.42SS..G310 helixtrans-72.513.4-178.9-105.8-89.9000114.1Q61 R65Q61-Y63 HydrophobicContact CB-CD2 3.83Å; Q61-Y63 PolarHBondContact O-N 3.35Å; Y63-R65 PolarHBondContact O-N 2.94Å
64W51.6Low58.1Low37 Ų3786.9 Ų86.914%0.1441%0.414CS..G310 helixtrans-69.3-30.7-162-144.7-64000115Y59 D62 T66 Y133 F137Y59-W64 HydrophobicContact CD2-CE3 4.33Å; Y59-W64 AromaticContact CD2-CH2 3.58Å; Y59-W64 HydrophobicContact CD2-CH2 3.58Å; Y59-W64 AromaticContact CD2-CZ3 3.18Å; Y59-W64 HydrophobicContact CD2-CZ3 3.18Å; Y59-W64 AromaticContact CE2-CH2 3.64Å; Y59-W64 HydrophobicContact CE2-CH2 3.64Å; Y59-W64 AromaticContact CE2-CZ3 3.33Å; Y59-W64 HydrophobicContact CE2-CZ3 3.33Å; Y59-W64 HydrophobicContact CG-CZ3 4.15Å; D62-W64 PolarHBondContact O-N 2.94Å; W64-T66 PolarHBondContact O-N 3.41Å; W64-Y133 AromaticContact CH2-CD1 3.75Å; W64-Y133 HydrophobicContact CH2-CD1 3.75Å; W64-Y133 AromaticContact CH2-CG 3.88Å; W64-Y133 HydrophobicContact CH2-CG 3.88Å; W64-Y133 HydrophobicContact CZ2-CG 4.45Å; W64-F137 HydrophobicContact CB-CE1 4.01Å; W64-F137 HydrophobicContact CB-CZ 4.05Å; W64-F137 AromaticContact CD1-CD1 3.46Å; W64-F137 VanDerWaalsContact CD1-CD1 3.46Å; W64-F137 AromaticContact CD1-CE1 3.05Å; W64-F137 AromaticContact CD1-CZ 3.5Å; W64-F137 HydrophobicContact CD2-CD1 4.21Å; W64-F137 HydrophobicContact CD2-CD2 4.09Å; W64-F137 AromaticContact CD2-CE1 3.43Å; W64-F137 HydrophobicContact CD2-CE1 3.43Å; W64-F137 VanDerWaalsContact CD2-CE1 3.43Å; W64-F137 AromaticContact CD2-CE2 3.32Å; W64-F137 HydrophobicContact CD2-CE2 3.32Å; W64-F137 HydrophobicContact CD2-CG 4.49Å; W64-F137 AromaticContact CD2-CZ 2.91Å; W64-F137 HydrophobicContact CD2-CZ 2.91Å; W64-F137 AromaticContact CE2-CD1 3.71Å; W64-F137 AromaticContact CE2-CD2 3.31Å; W64-F137 AromaticContact CE2-CE1 3.42Å; W64-F137 VanDerWaalsContact CE2-CE1 3.42Å; W64-F137 AromaticContact CE2-CE2 3.01Å; W64-F137 AromaticContact CE2-CG 3.66Å; W64-F137 AromaticContact CE2-CZ 3.06Å; W64-F137 HydrophobicContact CE3-CD2 4.5Å; W64-F137 HydrophobicContact CE3-CE1 4.19Å; W64-F137 AromaticContact CE3-CE2 3.45Å; W64-F137 HydrophobicContact CE3-CE2 3.45Å; W64-F137 VanDerWaalsContact CE3-CE2 3.45Å; W64-F137 AromaticContact CE3-CZ 3.24Å; W64-F137 HydrophobicContact CE3-CZ 3.24Å; W64-F137 HydrophobicContact CG-CD1 4.09Å; W64-F137 AromaticContact CG-CE1 3.25Å; W64-F137 HydrophobicContact CG-CE1 3.25Å; W64-F137 HydrophobicContact CG-CE2 4.1Å; W64-F137 AromaticContact CG-CZ 3.26Å; W64-F137 HydrophobicContact CG-CZ 3.26Å; W64-F137 AromaticContact CH2-CD2 3.56Å; W64-F137 HydrophobicContact CH2-CD2 3.56Å; W64-F137 AromaticContact CH2-CE2 3.05Å; W64-F137 HydrophobicContact CH2-CE2 3.05Å; W64-F137 AromaticContact CH2-CZ 3.81Å; W64-F137 HydrophobicContact CH2-CZ 3.81Å; W64-F137 HydrophobicContact CZ2-CD1 4.31Å; W64-F137 AromaticContact CZ2-CD2 3.05Å; W64-F137 HydrophobicContact CZ2-CD2 3.05Å; W64-F137 HydrophobicContact CZ2-CE1 4.2Å; W64-F137 AromaticContact CZ2-CE2 2.93Å; W64-F137 HydrophobicContact CZ2-CE2 2.93Å; W64-F137 AromaticContact CZ2-CG 3.79Å; W64-F137 HydrophobicContact CZ2-CG 3.79Å; W64-F137 AromaticContact CZ2-CZ 3.57Å; W64-F137 HydrophobicContact CZ2-CZ 3.57Å; W64-F137 HydrophobicContact CZ3-CD2 4.23Å; W64-F137 AromaticContact CZ3-CE2 3.28Å; W64-F137 HydrophobicContact CZ3-CE2 3.28Å; W64-F137 AromaticContact CZ3-CZ 3.63Å; W64-F137 HydrophobicContact CZ3-CZ 3.63Å; W64-F137 AromaticContact NE1-CD1 3.19Å; W64-F137 AromaticContact NE1-CD2 3.63Å; W64-F137 AromaticContact NE1-CE1 3.16Å; W64-F137 AromaticContact NE1-CE2 3.63Å; W64-F137 AromaticContact NE1-CG 3.43Å; W64-F137 AromaticContact NE1-CZ 3.4Å
65R52.8Low57.7Low244 Ų24488 Ų8892%0.92142%0.415SS*.G310 helixtrans-68.6-30.2-173.1-79.5-168.9-177-152.10.4113.9Y63Y63-R65 PolarHBondContact O-N 2.94Å
66T51.9Low57.6Low125 Ų12593.7 Ų93.777%0.76744%0.439SS*.THydrogen-bonded Turntrans-101.1-12.8-176.225.10000114.1W64W64-T66 PolarHBondContact O-N 3.41Å
67W57.8Low57.6Low79 Ų7996.2 Ų96.230%0.29945%0.454SS..  trans-111.712.3-169-150.256000116.1V54 M58 K69 G70 L71 F74V54-W67 HydrophobicContact CG1-CH2 4.36Å; M58-W67 HydrophobicContact CB-CZ3 4.14Å; M58-W67 HydrophobicContact CE-CB 4.48Å; M58-W67 HydrophobicContact CE-CD2 3.21Å; M58-W67 HydrophobicContact CE-CE3 3.25Å; M58-W67 HydrophobicContact CE-CG 3.83Å; M58-W67 HydrophobicContact CE-CH2 3.56Å; M58-W67 HydrophobicContact CE-CZ2 3.58Å; M58-W67 HydrophobicContact CE-CZ3 3.42Å; M58-W67 VanDerWaalsContact CE-CZ3 3.42Å; M58-W67 HydrophobicContact CG-CE3 3.86Å; M58-W67 HydrophobicContact CG-CH2 3.92Å; M58-W67 HydrophobicContact CG-CZ3 3.36Å; M58-W67 HydrophobicContact SD-CD2 3.61Å; M58-W67 HydrophobicContact SD-CE3 3.01Å; M58-W67 HydrophobicContact SD-CG 4.3Å; M58-W67 HydrophobicContact SD-CH2 3.97Å; M58-W67 HydrophobicContact SD-CZ2 4.49Å; M58-W67 HydrophobicContact SD-CZ3 3.22Å; M58-W67 WeakPolarHBondContact SD-CZ3 3.24Å; W67-K69 VanDerWaalsContact C-N 3.29Å; W67-K69 PolarHBondContact O-N 3.11Å; W67-G70 PolarHBondContact O-N 3.45Å; W67-G70 VanDerWaalsContact O-N 3.16Å; W67-L71 PolarHBondContact O-N 2.91Å; W67-L71 VanDerWaalsContact O-N 3.13Å; W67-F74 HydrophobicContact CH2-CD2 4.15Å; W67-F74 AromaticContact CH2-CE2 3.98Å; W67-F74 HydrophobicContact CH2-CE2 3.98Å; W67-F74 HydrophobicContact CH2-CZ 4.46Å; W67-F74 HydrophobicContact CZ2-CD2 4.48Å; W67-F74 HydrophobicContact CZ2-CE2 4.38Å
68L55.3Low57.4Low104 Ų10492.6 Ų92.655%0.54544%0.436SS..Hα-helixtrans-58.7-34.4177-101.8140.1000114
69K55.4Low57.2Low197 Ų19793.3 Ų93.386%0.85744%0.443SS*.Hα-helixtrans-70.7-36.8176.7-74.4178.6178.71700112.2W67W67-K69 VanDerWaalsContact C-N 3.29Å; W67-K69 PolarHBondContact O-N 3.11Å
70G57.7Low57.6Low29 Ų2994.3 Ų94.330%0.29945%0.453SS..Hα-helixtrans-68.5-38.1177.400000112.4W67 R72 G73 F74W67-G70 PolarHBondContact O-N 3.45Å; W67-G70 VanDerWaalsContact O-N 3.16Å; G70-R72 VanDerWaalsContact C-N 3.28Å; G70-R72 PolarHBondContact O-N 2.85Å; G70-G73 PolarHBondContact O-N 3.46Å; G70-G73 VanDerWaalsContact O-N 3.14Å; G70-F74 PolarHBondContact O-N 3.21Å
71L59.6Low57.8Low37 Ų3794.2 Ų94.219%0.19445%0.451CS..Hα-helixtrans-61-33.9-179.7-16071.1000113.1T55 W67 F74 F75T55-L71 HydrophobicContact CG2-CD1 4.44Å; W67-L71 PolarHBondContact O-N 2.91Å; W67-L71 VanDerWaalsContact O-N 3.13Å; L71-F74 WeakPolarHBondContact O-CB 3.38Å; L71-F74 PolarHBondContact O-N 2.94Å; L71-F75 PolarHBondContact O-N 3.06Å
72R57Low57.7Low205 Ų20589.2 Ų89.277%0.77443%0.429SS*.Hα-helixtrans-66.9-40.4176.4-166.6175.6-178173.3-0.1112.2G70 F74 F76G70-R72 VanDerWaalsContact C-N 3.28Å; G70-R72 PolarHBondContact O-N 2.85Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F76 PolarHBondContact O-N 3.31Å
73G57.8Low57.7Low41 Ų4185.8 Ų85.842%0.42342%0.418SS..Hα-helixtrans-65.7-39.8171.700000111.3G70 F75 F76 V77G70-G73 PolarHBondContact O-N 3.46Å; G70-G73 VanDerWaalsContact O-N 3.14Å; G73-F75 PolarHBondContact O-N 2.98Å; G73-F76 PolarHBondContact O-N 3.27Å; G73-V77 WeakPolarHBondContact O-CG2 3.46Å; G73-V77 PolarHBondContact O-N 3.46Å
74F61.1Low58.2Low25 Ų2583.6 Ų83.611%0.1142%0.418CS..Hα-helixtrans-61.3-43.4-179.6-131.1-101.2000112.2W51 V54 T55 W67 G70 L71 R72 G78W51-F74 HydrophobicContact CB-CE1 4.09Å; W51-F74 HydrophobicContact CB-CZ 4.44Å; W51-F74 HydrophobicContact CD2-CD1 4.04Å; W51-F74 HydrophobicContact CD2-CD2 4.49Å; W51-F74 AromaticContact CD2-CE1 3.33Å; W51-F74 HydrophobicContact CD2-CE1 3.33Å; W51-F74 AromaticContact CD2-CE2 3.84Å; W51-F74 HydrophobicContact CD2-CE2 3.84Å; W51-F74 AromaticContact CD2-CZ 3.18Å; W51-F74 HydrophobicContact CD2-CZ 3.18Å; W51-F74 AromaticContact CE2-CE2 3.76Å; W51-F74 AromaticContact CE2-CZ 3.48Å; W51-F74 VanDerWaalsContact CE2-CZ 3.48Å; W51-F74 AromaticContact CE3-CD1 3.09Å; W51-F74 HydrophobicContact CE3-CD1 3.09Å; W51-F74 AromaticContact CE3-CD2 3.8Å; W51-F74 HydrophobicContact CE3-CD2 3.8Å; W51-F74 AromaticContact CE3-CE1 2.84Å; W51-F74 HydrophobicContact CE3-CE1 2.84Å; W51-F74 AromaticContact CE3-CE2 3.59Å; W51-F74 HydrophobicContact CE3-CE2 3.59Å; W51-F74 AromaticContact CE3-CG 3.56Å; W51-F74 HydrophobicContact CE3-CG 3.56Å; W51-F74 AromaticContact CE3-CZ 3.1Å; W51-F74 HydrophobicContact CE3-CZ 3.1Å; W51-F74 AromaticContact CG-CE1 3.96Å; W51-F74 HydrophobicContact CG-CE1 3.96Å; W51-F74 AromaticContact CG-CZ 3.91Å; W51-F74 HydrophobicContact CG-CZ 3.91Å; W51-F74 HydrophobicContact CH2-CB 4.44Å; W51-F74 HydrophobicContact CH2-CD1 4Å; W51-F74 AromaticContact CH2-CD2 3.04Å; W51-F74 HydrophobicContact CH2-CD2 3.04Å; W51-F74 AromaticContact CH2-CE1 3.98Å; W51-F74 HydrophobicContact CH2-CE1 3.98Å; W51-F74 AromaticContact CH2-CE2 2.99Å; W51-F74 HydrophobicContact CH2-CE2 2.99Å; W51-F74 AromaticContact CH2-CG 3.57Å; W51-F74 HydrophobicContact CH2-CG 3.57Å; W51-F74 AromaticContact CH2-CZ 3.48Å; W51-F74 HydrophobicContact CH2-CZ 3.48Å; W51-F74 VanDerWaalsContact CH2-CZ 3.48Å; W51-F74 AromaticContact CZ2-CD2 3.9Å; W51-F74 HydrophobicContact CZ2-CD2 3.9Å; W51-F74 HydrophobicContact CZ2-CE1 4.38Å; W51-F74 AromaticContact CZ2-CE2 3.32Å; W51-F74 HydrophobicContact CZ2-CE2 3.32Å; W51-F74 AromaticContact CZ2-CZ 3.6Å; W51-F74 HydrophobicContact CZ2-CZ 3.6Å; W51-F74 HydrophobicContact CZ3-CB 3.81Å; W51-F74 AromaticContact CZ3-CD1 3.09Å; W51-F74 HydrophobicContact CZ3-CD1 3.09Å; W51-F74 AromaticContact CZ3-CD2 3.04Å; W51-F74 HydrophobicContact CZ3-CD2 3.04Å; W51-F74 AromaticContact CZ3-CE1 3.26Å; W51-F74 HydrophobicContact CZ3-CE1 3.26Å; W51-F74 AromaticContact CZ3-CE2 3.19Å; W51-F74 HydrophobicContact CZ3-CE2 3.19Å; W51-F74 AromaticContact CZ3-CG 2.98Å; W51-F74 HydrophobicContact CZ3-CG 2.98Å; W51-F74 AromaticContact CZ3-CZ 3.28Å; W51-F74 HydrophobicContact CZ3-CZ 3.28Å; V54-F74 HydrophobicContact CB-CZ 4.4Å; V54-F74 HydrophobicContact CG1-CZ 3.98Å; T55-F74 HydrophobicContact CG2-CD1 4.11Å; T55-F74 HydrophobicContact CG2-CE1 4.18Å; W67-F74 HydrophobicContact CH2-CD2 4.15Å; W67-F74 AromaticContact CH2-CE2 3.98Å; W67-F74 HydrophobicContact CH2-CE2 3.98Å; W67-F74 HydrophobicContact CH2-CZ 4.46Å; W67-F74 HydrophobicContact CZ2-CD2 4.48Å; W67-F74 HydrophobicContact CZ2-CE2 4.38Å; G70-F74 PolarHBondContact O-N 3.21Å; L71-F74 WeakPolarHBondContact O-CB 3.38Å; L71-F74 PolarHBondContact O-N 2.94Å; R72-F74 VanDerWaalsContact C-N 3.33Å; F74-G78 PolarHBondContact O-N 3.17Å
75F56.7Low58.5Low71 Ų7181.9 Ų81.931%0.31141%0.412SS..Hα-helixtrans-63.2-43.6175.8-178.3-102.5000112.5L71 G73 G78 V79 S127 A130L71-F75 PolarHBondContact O-N 3.06Å; G73-F75 PolarHBondContact O-N 2.98Å; F75-G78 PolarHBondContact O-N 2.9Å; F75-V79 HydrophobicContact CD1-CG2 4.3Å; F75-V79 HydrophobicContact CE1-CG2 3.91Å; F75-V79 HydrophobicContact CE2-CG2 4.27Å; F75-V79 HydrophobicContact CZ-CG2 3.9Å; F75-V79 WeakPolarHBondContact O-CG2 3.45Å; F75-V79 PolarHBondContact O-N 3Å; F75-S127 WeakPolarHBondContact CE2-OG 3.45Å; F75-A130 HydrophobicContact CD2-CB 3.63Å; F75-A130 HydrophobicContact CE2-CB 4.31Å
76F61.1Low58.9Low133 Ų13373.8 Ų73.858%0.58339%0.386SS*.Hα-helixtrans-64.7-42.8-179.2-161.5-101.1000111.6R72 G73 G78 V79 L80R72-F76 PolarHBondContact O-N 3.31Å; G73-F76 PolarHBondContact O-N 3.27Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 2.58Å; F76-V79 PolarHBondContact O-N 3.5Å; F76-L80 HydrophobicContact CD1-CD1 3.61Å; F76-L80 HydrophobicContact CD1-CG 4.11Å; F76-L80 HydrophobicContact CE1-CD1 3.55Å; F76-L80 HydrophobicContact CE1-CD2 4.39Å; F76-L80 HydrophobicContact CE1-CG 4.03Å; F76-L80 WeakPolarHBondContact O-CB 3.41Å; F76-L80 WeakPolarHBondContact O-CG 3.47Å; F76-L80 PolarHBondContact O-N 2.88Å
77V62.4Low59.4Low57 Ų5770.5 Ų70.535%0.34537%0.371SS..Hα-helixtrans-62-42.6174.21770000110.9W51 G73 V79 L80 F81W51-V77 HydrophobicContact CZ3-CB 4.24Å; W51-V77 HydrophobicContact CZ3-CG1 4.34Å; G73-V77 WeakPolarHBondContact O-CG2 3.46Å; G73-V77 PolarHBondContact O-N 3.46Å; V77-V79 PolarHBondContact O-N 3.46Å; V77-L80 PolarHBondContact O-N 2.96Å; V77-F81 HydrophobicContact CG1-CD2 4.02Å; V77-F81 HydrophobicContact CG1-CE2 4.23Å; V77-F81 WeakPolarHBondContact O-CB 3.47Å; V77-F81 PolarHBondContact O-N 3.22Å
78G58.3Low59.4Low2 Ų267.5 Ų67.52%0.02136%0.363CS..Hα-helixtrans-61.3-41.4176.600000113.8F74 F75 F76 S82F74-G78 PolarHBondContact O-N 3.17Å; F75-G78 PolarHBondContact O-N 2.9Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 2.58Å; G78-S82 WeakPolarHBondContact O-CB 3.45Å; G78-S82 PolarHBondContact O-N 3.01Å
79V60.6Low59.6Low61 Ų6165 Ų6537%0.3735%0.348SS..Hα-helixtrans-69.2-43.9176.9171.60000111.6F75 F76 V77 F81 S82 A83F75-V79 HydrophobicContact CD1-CG2 4.3Å; F75-V79 HydrophobicContact CE1-CG2 3.91Å; F75-V79 HydrophobicContact CE2-CG2 4.27Å; F75-V79 HydrophobicContact CZ-CG2 3.9Å; F75-V79 WeakPolarHBondContact O-CG2 3.45Å; F75-V79 PolarHBondContact O-N 3Å; F76-V79 PolarHBondContact O-N 3.5Å; V77-V79 PolarHBondContact O-N 3.46Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 3.38Å; V79-S82 WeakPolarHBondContact O-CB 3.48Å; V79-S82 PolarHBondContact O-N 3.3Å; V79-A83 PolarHBondContact O-N 2.94Å
80L64.4Low59.8Low90 Ų9058.7 Ų58.747%0.47133%0.328SS..Hα-helixtrans-59.2-46.2175.6-74.8176.4000111.2F76 V77 S82 A83 V84F76-L80 HydrophobicContact CD1-CD1 3.61Å; F76-L80 HydrophobicContact CD1-CG 4.11Å; F76-L80 HydrophobicContact CE1-CD1 3.55Å; F76-L80 HydrophobicContact CE1-CD2 4.39Å; F76-L80 HydrophobicContact CE1-CG 4.03Å; F76-L80 WeakPolarHBondContact O-CB 3.41Å; F76-L80 WeakPolarHBondContact O-CG 3.47Å; F76-L80 PolarHBondContact O-N 2.88Å; V77-L80 PolarHBondContact O-N 2.96Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.43Å; L80-A83 PolarHBondContact O-N 3.42Å; L80-V84 WeakPolarHBondContact O-CG2 3.2Å; L80-V84 PolarHBondContact O-N 3.38Å
81F62.4Low59.9Low68 Ų6861.2 Ų61.230%0.29834%0.337SS..Hα-helixtrans-65.4-35.8176.7-96.8-114.3000112.9L44 L48 V77 V79 V84 S85L44-F81 HydrophobicContact CD2-CD1 3.82Å; L44-F81 HydrophobicContact CD2-CE1 3.17Å; L44-F81 HydrophobicContact CD2-CZ 3.97Å; L48-F81 HydrophobicContact CD1-CD1 4.21Å; L48-F81 HydrophobicContact CD2-CB 3.88Å; L48-F81 HydrophobicContact CD2-CD1 4.06Å; L48-F81 HydrophobicContact CD2-CG 4.28Å; L48-F81 HydrophobicContact CG-CD1 4.08Å; V77-F81 HydrophobicContact CG1-CD2 4.02Å; V77-F81 HydrophobicContact CG1-CE2 4.23Å; V77-F81 WeakPolarHBondContact O-CB 3.47Å; V77-F81 PolarHBondContact O-N 3.22Å; V79-F81 VanDerWaalsContact C-N 3.33Å; V79-F81 PolarHBondContact O-N 3.38Å; F81-V84 PolarHBondContact O-N 3.48Å; F81-S85 PolarHBondContact O-N 3.45Å
82S55.5Low59.9Low15 Ų1560.9 Ų60.911%0.10533%0.334CS..Hα-helixtrans-59.6-46173.1-172.30000111.6G78 V79 L80 V84 S85 I86G78-S82 WeakPolarHBondContact O-CB 3.45Å; G78-S82 PolarHBondContact O-N 3.01Å; V79-S82 WeakPolarHBondContact O-CB 3.48Å; V79-S82 PolarHBondContact O-N 3.3Å; L80-S82 VanDerWaalsContact C-N 3.34Å; L80-S82 PolarHBondContact O-N 3.43Å; S82-V84 PolarHBondContact O-N 2.92Å; S82-S85 PolarHBondContact O-N 3.46Å; S82-I86 WeakPolarHBondContact O-CG1 3.36Å; S82-I86 PolarHBondContact O-N 3.48Å
83A59.2Low60.1Low54 Ų5454.4 Ų54.445%0.44632%0.315SS..Hα-helixtrans-63.1-41.2176.500000112V79 L80 I86 A87V79-A83 PolarHBondContact O-N 2.94Å; L80-A83 PolarHBondContact O-N 3.42Å; A83-I86 PolarHBondContact O-N 2.98Å; A83-A87 WeakPolarHBondContact O-CB 3.4Å; A83-A87 PolarHBondContact O-N 2.9Å
84V63.1Low60.1Low81 Ų8156.4 Ų56.449%0.49132%0.319SS..Hα-helixtrans-63.5-41.8175172.50000111.4L80 F81 S82 A87 A88L80-V84 WeakPolarHBondContact O-CG2 3.2Å; L80-V84 PolarHBondContact O-N 3.38Å; F81-V84 PolarHBondContact O-N 3.48Å; S82-V84 PolarHBondContact O-N 2.92Å; V84-A87 PolarHBondContact O-N 3.3Å; V84-A88 VanDerWaalsContact O-CB 3.24Å; V84-A88 WeakPolarHBondContact O-CB 3.45Å; V84-A88 PolarHBondContact O-N 3.27Å
85S57.7Low60Low2 Ų258.6 Ų58.61%0.01433%0.331CS..Hα-helixtrans-64.2-38.7174.7-85.10000112.8F81 S82 F89 S119F81-S85 PolarHBondContact O-N 3.45Å; S82-S85 PolarHBondContact O-N 3.46Å; S85-F89 VanDerWaalsContact O-CB 3.31Å; S85-F89 WeakPolarHBondContact O-CB 3.46Å; S85-F89 PolarHBondContact O-N 3.49Å; S85-S119 WeakPolarHBondContact OG-CB 3.49Å
86I60.9Low59.9Low74 Ų7455.4 Ų55.438%0.37932%0.318SS..Hα-helixtrans-64.6-49.4174.6-67.1160.7000110.5S82 A83 A88 F89 C90 F120S82-I86 WeakPolarHBondContact O-CG1 3.36Å; S82-I86 PolarHBondContact O-N 3.48Å; A83-I86 PolarHBondContact O-N 2.98Å; I86-A88 VanDerWaalsContact C-N 3.25Å; I86-A88 PolarHBondContact O-N 3.19Å; I86-F89 WeakPolarHBondContact O-CB 3.17Å; I86-F89 PolarHBondContact O-N 2.93Å; I86-C90 PolarHBondContact O-N 3.32Å; I86-F120 HydrophobicContact CD1-CD2 3.93Å; I86-F120 HydrophobicContact CD1-CE2 3.31Å; I86-F120 HydrophobicContact CD1-CZ 4.07Å; I86-F120 HydrophobicContact CG1-CD2 3.39Å; I86-F120 HydrophobicContact CG1-CE2 3.29Å; I86-F120 HydrophobicContact CG1-CG 4.31Å; I86-F120 HydrophobicContact CG1-CZ 4.12Å
87A62.4Low59.9Low56 Ų5653.9 Ų53.946%0.46332%0.315SS..Hα-helixtrans-57.6-44.8-179.900000110.5A83 V84 C90 T91A83-A87 WeakPolarHBondContact O-CB 3.4Å; A83-A87 PolarHBondContact O-N 2.9Å; V84-A87 PolarHBondContact O-N 3.3Å; A87-C90 WeakPolarHBondContact O-CB 3.47Å; A87-C90 PolarHBondContact O-N 2.9Å; A87-T91 WeakPolarHBondContact O-CG2 3.23Å; A87-T91 PolarHBondContact O-N 3.43Å
88A58.5Low59.6Low15 Ų1555.8 Ų55.812%0.12433%0.327CS..Hα-helixtrans-71.8-36.4-179.900000113.1M41 V84 I86 C90 T91 F92M41-A88 HydrophobicContact CE-CB 2.96Å; V84-A88 VanDerWaalsContact O-CB 3.24Å; V84-A88 WeakPolarHBondContact O-CB 3.45Å; V84-A88 PolarHBondContact O-N 3.27Å; I86-A88 VanDerWaalsContact C-N 3.25Å; I86-A88 PolarHBondContact O-N 3.19Å; A88-C90 VanDerWaalsContact C-N 3.32Å; A88-C90 PolarHBondContact O-N 2.97Å; A88-T91 VanDerWaalsContact CA-OG1 3.26Å; A88-T91 WeakPolarHBondContact CA-OG1 3.38Å; A88-T91 PolarHBondContact O-N 3Å; A88-T91 PolarHBondContact O-OG1 3.45Å; A88-F92 HydrophobicContact CB-CE2 4.44Å; A88-F92 WeakPolarHBondContact O-CD2 3Å; A88-F92 PolarHBondContact O-N 3.27Å
89F58.8Low59.5Low52 Ų5264.4 Ų64.423%0.22836%0.359CS..Hα-helixtrans-55.3-47.4169.2176.5-101.9000111.3S85 I86 F92 L93 S113 F117S85-F89 VanDerWaalsContact O-CB 3.31Å; S85-F89 WeakPolarHBondContact O-CB 3.46Å; S85-F89 PolarHBondContact O-N 3.49Å; I86-F89 WeakPolarHBondContact O-CB 3.17Å; I86-F89 PolarHBondContact O-N 2.93Å; F89-F92 PolarHBondContact O-N 3.03Å; F89-L93 HydrophobicContact CE1-CD1 3.92Å; F89-L93 HydrophobicContact CE2-CD1 4.49Å; F89-L93 HydrophobicContact CZ-CD1 3.77Å; F89-L93 WeakPolarHBondContact O-CB 3.45Å; F89-L93 PolarHBondContact O-N 2.96Å; F89-S113 VanDerWaalsContact CD2-O 3.32Å; F89-S113 WeakPolarHBondContact CD2-O 3.17Å; F89-S113 WeakPolarHBondContact CE2-O 3.39Å; F89-F117 HydrophobicContact CD2-CB 4.35Å; F89-F117 HydrophobicContact CD2-CD2 4.35Å; F89-F117 HydrophobicContact CE1-CD2 4.48Å; F89-F117 HydrophobicContact CE2-CB 4.11Å; F89-F117 AromaticContact CE2-CD2 3.78Å; F89-F117 HydrophobicContact CE2-CD2 3.78Å; F89-F117 HydrophobicContact CE2-CG 4.42Å; F89-F117 AromaticContact CZ-CD2 3.86Å; F89-F117 HydrophobicContact CZ-CD2 3.86Å; F89-F117 HydrophobicContact CZ-CE2 4.45Å
90C60.7Low59.1Low65 Ų6570 Ų7044%0.43938%0.38SS..Hα-helixtrans-61.4-44.7175.7-73.60000111.8I86 A87 A88 F92 L93 V94I86-C90 PolarHBondContact O-N 3.32Å; A87-C90 WeakPolarHBondContact O-CB 3.47Å; A87-C90 PolarHBondContact O-N 2.9Å; A88-C90 VanDerWaalsContact C-N 3.32Å; A88-C90 PolarHBondContact O-N 2.97Å; C90-F92 PolarHBondContact O-N 3.48Å; C90-L93 PolarHBondContact O-N 3.36Å; C90-V94 WeakPolarHBondContact O-CB 3.31Å; C90-V94 VanDerWaalsContact O-CG2 3.24Å; C90-V94 WeakPolarHBondContact O-CG2 3.48Å; C90-V94 PolarHBondContact O-N 3Å
91T60.3Low58.3Low81 Ų8169.3 Ų69.350%0.49738%0.375SS..Hα-helixtrans-63.9-42.9179.357.30000112.8A87 A88 V94 L95A87-T91 WeakPolarHBondContact O-CG2 3.23Å; A87-T91 PolarHBondContact O-N 3.43Å; A88-T91 VanDerWaalsContact CA-OG1 3.26Å; A88-T91 WeakPolarHBondContact CA-OG1 3.38Å; A88-T91 PolarHBondContact O-N 3Å; A88-T91 PolarHBondContact O-OG1 3.45Å; T91-V94 PolarHBondContact O-N 2.92Å; T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 PolarHBondContact O-N 3.39Å
92F59.5Low57.5Low30 Ų3069 Ų6913%0.13238%0.381CS..Hα-helixtrans-69.3-36.4178.4-74.4-57.6000112.2M41 A88 F89 C90 L95 A96 Y109M41-F92 HydrophobicContact CE-CE2 4.22Å; M41-F92 HydrophobicContact CG-CE2 3.85Å; A88-F92 HydrophobicContact CB-CE2 4.44Å; A88-F92 WeakPolarHBondContact O-CD2 3Å; A88-F92 PolarHBondContact O-N 3.27Å; F89-F92 PolarHBondContact O-N 3.03Å; C90-F92 PolarHBondContact O-N 3.48Å; F92-L95 PolarHBondContact O-N 2.89Å; F92-A96 WeakPolarHBondContact O-CB 3.26Å; F92-A96 PolarHBondContact O-N 3.03Å; F92-Y109 AromaticContact CD1-CD1 3.76Å; F92-Y109 HydrophobicContact CD1-CD1 3.76Å; F92-Y109 HydrophobicContact CD1-CE1 4.34Å; F92-Y109 HydrophobicContact CE1-CD1 4.07Å; F92-Y109 HydrophobicContact CE1-CE1 4.27Å
93L59.8Low57.2Low70 Ų7075.1 Ų75.137%0.36641%0.412SS..Hα-helixtrans-66.3-44.2175.9-173138.9000111.3F89 C90 A96 I97 S113F89-L93 HydrophobicContact CE1-CD1 3.92Å; F89-L93 HydrophobicContact CE2-CD1 4.49Å; F89-L93 HydrophobicContact CZ-CD1 3.77Å; F89-L93 WeakPolarHBondContact O-CB 3.45Å; F89-L93 PolarHBondContact O-N 2.96Å; C90-L93 PolarHBondContact O-N 3.36Å; L93-A96 PolarHBondContact O-N 2.94Å; L93-I97 HydrophobicContact CD2-CD1 3.59Å; L93-I97 HydrophobicContact CG-CD1 4.25Å; L93-I97 WeakPolarHBondContact O-CD1 3.44Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.23Å; L93-I97 PolarHBondContact O-N 2.95Å; L93-S113 PolarHBondContact N-OG 3.36Å
94V59.4Low56.5Low82 Ų8278.4 Ų78.450%0.49743%0.426SS..Hα-helixtrans-63.7-41.6174.9171.70000111.2C90 T91 I97 T98C90-V94 WeakPolarHBondContact O-CB 3.31Å; C90-V94 VanDerWaalsContact O-CG2 3.24Å; C90-V94 WeakPolarHBondContact O-CG2 3.48Å; C90-V94 PolarHBondContact O-N 3Å; T91-V94 PolarHBondContact O-N 2.92Å; V94-I97 PolarHBondContact O-N 2.82Å; V94-T98 PolarHBondContact O-N 3.18Å; V94-T98 PolarHBondContact O-OG1 3.18Å
95L57.8Low55.6Low72 Ų7278.6 Ų78.638%0.37743%0.425SS..Hα-helixtrans-63.4-41.7176.4-122.574.9000112.4T91 F92 T98 R99 Y109T91-L95 WeakPolarHBondContact O-CB 3.4Å; T91-L95 PolarHBondContact O-N 3.39Å; F92-L95 PolarHBondContact O-N 2.89Å; L95-T98 WeakPolarHBondContact CA-OG1 3.39Å; L95-T98 PolarHBondContact O-N 2.89Å; L95-T98 PolarHBondContact O-OG1 2.91Å; L95-R99 WeakPolarHBondContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 3.06Å; L95-Y109 HydrophobicContact CD2-CD1 4.37Å; L95-Y109 HydrophobicContact CD2-CE1 3.99Å
96A55.1Low55.4Low4 Ų482 Ų823%0.03345%0.447CS..Hα-helixtrans-63.9-42178.500000111.5F92 L93 H100 Y110F92-A96 WeakPolarHBondContact O-CB 3.26Å; F92-A96 PolarHBondContact O-N 3.03Å; L93-A96 PolarHBondContact O-N 2.94Å; A96-H100 PolarHBondContact O-N 3.32Å; A96-Y110 HydrophobicContact CB-CD2 4.35Å; A96-Y110 HydrophobicContact CB-CE2 4.15Å
97I60.2Low54.9Low101 Ų10180.8 Ų80.852%0.51844%0.443SS..Hα-helixtrans-67-46.5177.2-66166.8000111L93 V94 R99 H100L93-I97 HydrophobicContact CD2-CD1 3.59Å; L93-I97 HydrophobicContact CG-CD1 4.25Å; L93-I97 WeakPolarHBondContact O-CD1 3.44Å; L93-I97 VanDerWaalsContact O-CG1 3.26Å; L93-I97 WeakPolarHBondContact O-CG1 3.23Å; L93-I97 PolarHBondContact O-N 2.95Å; V94-I97 PolarHBondContact O-N 2.82Å; I97-R99 VanDerWaalsContact C-N 3.33Å; I97-R99 PolarHBondContact O-N 2.92Å; I97-H100 PolarHBondContact O-N 2.97Å
98T57Low54.3Low97 Ų9778.3 Ų78.360%0.59542%0.422SS*.Hα-helixtrans-70.2-25.9-177.634.20000114V94 L95V94-T98 PolarHBondContact O-N 3.18Å; V94-T98 PolarHBondContact O-OG1 3.18Å; L95-T98 WeakPolarHBondContact CA-OG1 3.39Å; L95-T98 PolarHBondContact O-N 2.89Å; L95-T98 PolarHBondContact O-OG1 2.91Å
99R55.4Low54.2Low182 Ų18280.9 Ų80.969%0.68743%0.429SS*.THydrogen-bonded Turntrans-92.3-0.5-179.7-70-68.2-166.5166.91.5114.5L95 I97 Q101L95-R99 WeakPolarHBondContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CG 3.37Å; L95-R99 PolarHBondContact O-N 3.06Å; I97-R99 VanDerWaalsContact C-N 3.33Å; I97-R99 PolarHBondContact O-N 2.92Å; R99-Q101 HydrophobicContact CB-CG 3.73Å; R99-Q101 PolarHBondContact O-N 3.42Å
100H54Low54Low179 Ų17983.4 Ų83.483%0.82944%0.438SS*.THydrogen-bonded Turntrans43.539.7-178.2-77.6-80.5000113A96 I97A96-H100 PolarHBondContact O-N 3.32Å; I97-H100 PolarHBondContact O-N 2.97Å
101Q47Very low53.8Low76 Ų7683.4 Ų83.436%0.35543%0.434SS..  trans-76.2132.8-174.3-74.2-101.9-48.400110.7R99R99-Q101 HydrophobicContact CB-CG 3.73Å; R99-Q101 PolarHBondContact O-N 3.42Å
102S46.2Very low53.5Low62 Ų6279.6 Ų79.643%0.43441%0.41SS..  trans-58.4141.1177.7172.80000111.7T104 S108S102-T104 PolarHBondContact O-N 3.28Å; S102-T104 PolarHBondContact OG-N 3.49Å; S102-T104 PolarHBondContact OG-OG1 2.94Å; S102-S108 PolarHBondContact O-OG 3.06Å
103L47.8Very low53.4Low142 Ų14278.7 Ų78.774%0.74341%0.407SS*.THydrogen-bonded Turntrans-65.3-10174.8-71.2162.7000113.1Y110L103-Y110 HydrophobicContact CD2-CD1 4.27Å; L103-Y110 HydrophobicContact CD2-CD2 4.06Å; L103-Y110 HydrophobicContact CD2-CE1 4.28Å; L103-Y110 HydrophobicContact CD2-CE2 4.06Å; L103-Y110 HydrophobicContact CD2-CG 4.16Å
104T43.9Very low53.6Low123 Ų12379.4 Ų79.476%0.75542%0.415SS*.THydrogen-bonded Turntrans-99.7-7.2-170.4-370000113.7S102S102-T104 PolarHBondContact O-N 3.28Å; S102-T104 PolarHBondContact OG-N 3.49Å; S102-T104 PolarHBondContact OG-OG1 2.94Å
105D46.2Very low53.5Low85 Ų8577.3 Ų77.346%0.45540%0.398SS..  trans-87.7127.3179.9-91-47.4000112.6T107 S108D105-T107 PolarHBondContact O-N 2.9Å; D105-S108 WeakPolarHBondContact O-CB 3.24Å; D105-S108 PolarHBondContact O-N 3.4Å
106P52Low53.4Low74 Ų7473.9 Ų73.948%0.48138%0.38SS..THydrogen-bonded Turntrans-66.1-7.8-17724.6-32.6000114.6
107T51.3Low53.7Low49 Ų4979.5 Ų79.530%0.30140%0.404SS..THydrogen-bonded Turntrans-107.515.3175.953.90000113Y33 Q35 D105Y33-T107 HydrophobicContact CD1-CG2 3.78Å; Y33-T107 HydrophobicContact CE1-CG2 4.38Å; Q35-T107 PolarHBondContact NE2-O 3.05Å; Q35-T107 PolarHBondContact OE1-O 3.24Å; D105-T107 PolarHBondContact O-N 2.9Å
108S49.7Very low53.9Low4 Ų477.4 Ų77.43%0.02839%0.393CS..  trans-78.2137.7-173.2-164.50000112.2S102 D105 Y110 L111S102-S108 PolarHBondContact O-OG 3.06Å; D105-S108 WeakPolarHBondContact O-CB 3.24Å; D105-S108 PolarHBondContact O-N 3.4Å; S108-Y110 PolarHBondContact O-N 3.43Å; S108-L111 PolarHBondContact O-N 3.22Å; S108-L111 VanDerWaalsContact O-N 3.08Å
109Y56Low53.9Low69 Ų6972.8 Ų72.827%0.27137%0.365SS..Hα-helixtrans-60.5-12.3-176.8-71.5-84000114.4F92 L95 L111 S112 S113F92-Y109 AromaticContact CD1-CD1 3.76Å; F92-Y109 HydrophobicContact CD1-CD1 3.76Å; F92-Y109 HydrophobicContact CD1-CE1 4.34Å; F92-Y109 HydrophobicContact CE1-CD1 4.07Å; F92-Y109 HydrophobicContact CE1-CE1 4.27Å; L95-Y109 HydrophobicContact CD2-CD1 4.37Å; L95-Y109 HydrophobicContact CD2-CE1 3.99Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.39Å; Y109-S112 WeakPolarHBondContact O-CB 3.15Å; Y109-S112 PolarHBondContact O-N 2.84Å; Y109-S113 PolarHBondContact O-N 3.23Å; Y109-S113 VanDerWaalsContact O-N 3.08Å
110Y54.9Low54.1Low104 Ų10467 Ų6741%0.40835%0.345SS..Hα-helixtrans-59.4-37.9170-84.5-81.1000113.1A96 L103 S108 S112 S113 V114A96-Y110 HydrophobicContact CB-CD2 4.35Å; A96-Y110 HydrophobicContact CB-CE2 4.15Å; L103-Y110 HydrophobicContact CD2-CD1 4.27Å; L103-Y110 HydrophobicContact CD2-CD2 4.06Å; L103-Y110 HydrophobicContact CD2-CE1 4.28Å; L103-Y110 HydrophobicContact CD2-CE2 4.06Å; L103-Y110 HydrophobicContact CD2-CG 4.16Å; S108-Y110 PolarHBondContact O-N 3.43Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.39Å; Y110-S113 PolarHBondContact O-N 3.34Å; Y110-V114 WeakPolarHBondContact O-CG2 3.4Å; Y110-V114 PolarHBondContact O-N 3.31Å
111L55.8Low54.6Low66 Ų6663 Ų6335%0.34633%0.325SS..Hα-helixtrans-62.5-39.7174.7-98.6143.1000111.4W29 S108 Y109 V114 W115W29-L111 HydrophobicContact CZ2-CD1 4.48Å; S108-L111 PolarHBondContact O-N 3.22Å; S108-L111 VanDerWaalsContact O-N 3.08Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 3.39Å; L111-V114 PolarHBondContact O-N 3.38Å; L111-W115 WeakPolarHBondContact O-CB 3.48Å; L111-W115 PolarHBondContact O-N 2.86Å
112S55.7Low55.1Low0 Ų060.2 Ų60.20%031%0.311CS..Hα-helixtrans-64.8-37.4173.7-89.30000112.8T38 Y109 Y110 W115 S116T38-S112 VanDerWaalsContact CA-OG 3.23Å; T38-S112 WeakPolarHBondContact CA-OG 3.39Å; T38-S112 WeakPolarHBondContact CB-OG 3.23Å; T38-S112 PolarHBondContact N-OG 3.48Å; T38-S112 PolarHBondContact OG1-OG 2.92Å; Y109-S112 WeakPolarHBondContact O-CB 3.15Å; Y109-S112 PolarHBondContact O-N 2.84Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.39Å; S112-W115 PolarHBondContact O-N 3.42Å; S112-S116 WeakPolarHBondContact O-CB 3.31Å; S112-S116 PolarHBondContact O-N 3.41Å; S112-S116 PolarHBondContact O-OG 3.29Å
113S57.3Low55.7Low11 Ų1157.3 Ų57.38%0.07729%0.29CS..Hα-helixtrans-65.8-43.7173.6-81.80000112.4F89 L93 Y109 Y110 W115 S116 F117F89-S113 VanDerWaalsContact CD2-O 3.32Å; F89-S113 WeakPolarHBondContact CD2-O 3.17Å; F89-S113 WeakPolarHBondContact CE2-O 3.39Å; L93-S113 PolarHBondContact N-OG 3.36Å; Y109-S113 PolarHBondContact O-N 3.23Å; Y109-S113 VanDerWaalsContact O-N 3.08Å; Y110-S113 PolarHBondContact O-N 3.34Å; S113-W115 VanDerWaalsContact C-N 3.31Å; S113-W115 PolarHBondContact O-N 2.86Å; S113-S116 PolarHBondContact O-N 2.9Å; S113-F117 PolarHBondContact O-N 3.5Å
114V63.3Low56.4Low86 Ų8655.9 Ų55.952%0.52128%0.278SS..Hα-helixtrans-61.5-42.2175.9174.60000110.8Y110 L111 F117 I118Y110-V114 WeakPolarHBondContact O-CG2 3.4Å; Y110-V114 PolarHBondContact O-N 3.31Å; L111-V114 PolarHBondContact O-N 3.38Å; V114-F117 WeakPolarHBondContact O-CB 3.49Å; V114-F117 PolarHBondContact O-N 2.98Å; V114-I118 HydrophobicContact CG1-CD1 4.06Å; V114-I118 WeakPolarHBondContact O-CG1 3.44Å; V114-I118 PolarHBondContact O-N 3.47Å
115W57.8Low57.3Low38 Ų3852.3 Ų52.314%0.14425%0.254CS..Hα-helixtrans-66.2-37176.4-92.996000113.8I25 A45 L111 S112 S113 F117 I118 S119I25-W115 HydrophobicContact CD1-CH2 3.62Å; I25-W115 HydrophobicContact CD1-CZ2 2.97Å; I25-W115 HydrophobicContact CG1-CZ2 4.31Å; A45-W115 HydrophobicContact CB-CE3 3.69Å; A45-W115 HydrophobicContact CB-CZ3 3.58Å; L111-W115 WeakPolarHBondContact O-CB 3.48Å; L111-W115 PolarHBondContact O-N 2.86Å; S112-W115 PolarHBondContact O-N 3.42Å; S113-W115 VanDerWaalsContact C-N 3.31Å; S113-W115 PolarHBondContact O-N 2.86Å; W115-F117 VanDerWaalsContact C-N 3.32Å; W115-I118 HydrophobicContact CZ3-CG2 4.41Å; W115-I118 PolarHBondContact O-N 3.18Å; W115-S119 WeakPolarHBondContact O-CB 3.47Å; W115-S119 PolarHBondContact O-N 2.89Å; W115-S119 PolarHBondContact O-OG 2.91Å
116S55.2Low58.2Low0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-66.8-36.4173.7-58.30000111.2M41 S112 S113 S119 F120M41-S116 PolarHBondContact SD-OG 3.1Å; M41-S116 VanDerWaalsContact SD-OG 3.38Å; S112-S116 WeakPolarHBondContact O-CB 3.31Å; S112-S116 PolarHBondContact O-N 3.41Å; S112-S116 PolarHBondContact O-OG 3.29Å; S113-S116 PolarHBondContact O-N 2.9Å; S116-S119 WeakPolarHBondContact O-CB 3.45Å; S116-S119 PolarHBondContact O-N 3.16Å; S116-F120 WeakPolarHBondContact O-CB 3.44Å; S116-F120 PolarHBondContact O-N 2.78Å
117F60.8Low58.4Low121 Ų12146.6 Ų46.653%0.53122%0.222SC..Hα-helixtrans-68.3-39.3175.6-155.4-94.9000112.4F89 S113 V114 W115 F120 K121F89-F117 HydrophobicContact CD2-CB 4.35Å; F89-F117 HydrophobicContact CD2-CD2 4.35Å; F89-F117 HydrophobicContact CE1-CD2 4.48Å; F89-F117 HydrophobicContact CE2-CB 4.11Å; F89-F117 AromaticContact CE2-CD2 3.78Å; F89-F117 HydrophobicContact CE2-CD2 3.78Å; F89-F117 HydrophobicContact CE2-CG 4.42Å; F89-F117 AromaticContact CZ-CD2 3.86Å; F89-F117 HydrophobicContact CZ-CD2 3.86Å; F89-F117 HydrophobicContact CZ-CE2 4.45Å; S113-F117 PolarHBondContact O-N 3.5Å; V114-F117 WeakPolarHBondContact O-CB 3.49Å; V114-F117 PolarHBondContact O-N 2.98Å; W115-F117 VanDerWaalsContact C-N 3.32Å; F117-F120 PolarHBondContact O-N 3.19Å; F117-K121 PolarHBondContact O-N 3.32Å
118I65Low58.9Low58 Ų5847.4 Ų47.430%0.29722%0.224SC..Hα-helixtrans-61-47.7171.5-72.4167.6000109.9V114 W115 F120 K121 W122V114-I118 HydrophobicContact CG1-CD1 4.06Å; V114-I118 WeakPolarHBondContact O-CG1 3.44Å; V114-I118 PolarHBondContact O-N 3.47Å; W115-I118 HydrophobicContact CZ3-CG2 4.41Å; W115-I118 PolarHBondContact O-N 3.18Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 2.94Å; I118-K121 WeakPolarHBondContact O-CB 3.41Å; I118-K121 PolarHBondContact O-N 2.98Å; I118-W122 PolarHBondContact O-N 3.5Å; I118-W122 VanDerWaalsContact O-N 3.16Å
119S56.5Low59.5Low0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-59.3-43.3177-57.10000112.2A45 S85 W115 S116 W122 A123A45-S119 WeakPolarHBondContact CB-OG 3.41Å; S85-S119 WeakPolarHBondContact OG-CB 3.49Å; W115-S119 WeakPolarHBondContact O-CB 3.47Å; W115-S119 PolarHBondContact O-N 2.89Å; W115-S119 PolarHBondContact O-OG 2.91Å; S116-S119 WeakPolarHBondContact O-CB 3.45Å; S116-S119 PolarHBondContact O-N 3.16Å; S119-W122 PolarHBondContact O-N 3.47Å; S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.34Å
120F58.9Low59.5Low61 Ų6146.6 Ų46.627%0.26822%0.224SC..Hα-helixtrans-61.7-45.5177.4179.1-111.2000112.2I86 S116 F117 I118 W122 A123 F124I86-F120 HydrophobicContact CD1-CD2 3.93Å; I86-F120 HydrophobicContact CD1-CE2 3.31Å; I86-F120 HydrophobicContact CD1-CZ 4.07Å; I86-F120 HydrophobicContact CG1-CD2 3.39Å; I86-F120 HydrophobicContact CG1-CE2 3.29Å; I86-F120 HydrophobicContact CG1-CG 4.31Å; I86-F120 HydrophobicContact CG1-CZ 4.12Å; S116-F120 WeakPolarHBondContact O-CB 3.44Å; S116-F120 PolarHBondContact O-N 2.78Å; F117-F120 PolarHBondContact O-N 3.19Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 2.94Å; F120-W122 VanDerWaalsContact C-N 3.27Å; F120-W122 PolarHBondContact O-N 3.43Å; F120-A123 PolarHBondContact O-N 2.92Å; F120-F124 VanDerWaalsContact O-CB 3.31Å; F120-F124 WeakPolarHBondContact O-CB 3.13Å; F120-F124 PolarHBondContact O-N 3.08Å
121K66.3Low59.7Low93 Ų9347.2 Ų47.240%0.40423%0.23SC..Hα-helixtrans-54-45.5174.3169.2-177.2138.6-176.30111.2F117 I118 L125F117-K121 PolarHBondContact O-N 3.32Å; I118-K121 WeakPolarHBondContact O-CB 3.41Å; I118-K121 PolarHBondContact O-N 2.98Å; K121-L125 HydrophobicContact CG-CD1 3.9Å; K121-L125 WeakPolarHBondContact O-CB 3.36Å; K121-L125 WeakPolarHBondContact O-CD1 3.37Å; K121-L125 PolarHBondContact O-N 2.97Å
122W57Low60.1Low19 Ų1951.8 Ų51.87%0.07224%0.243CC..Hα-helixtrans-70.6-41-178.9-69.6117.8000113.1Y14 S18 I118 S119 F120 F124 L125 L126Y14-W122 AromaticContact CD1-CH2 3.36Å; Y14-W122 HydrophobicContact CD1-CH2 3.36Å; Y14-W122 AromaticContact CD1-CZ2 3.98Å; Y14-W122 HydrophobicContact CD1-CZ2 3.98Å; Y14-W122 HydrophobicContact CD1-CZ3 4.38Å; Y14-W122 AromaticContact CE1-CH2 3.42Å; Y14-W122 HydrophobicContact CE1-CH2 3.42Å; Y14-W122 VanDerWaalsContact CE1-CH2 3.42Å; Y14-W122 AromaticContact CE1-CZ2 3.58Å; Y14-W122 HydrophobicContact CE1-CZ2 3.58Å; Y14-W122 HydrophobicContact CG-CH2 4.41Å; S18-W122 VanDerWaalsContact OG-CZ2 3.23Å; S18-W122 WeakPolarHBondContact OG-CZ2 3.26Å; I118-W122 PolarHBondContact O-N 3.5Å; I118-W122 VanDerWaalsContact O-N 3.16Å; S119-W122 PolarHBondContact O-N 3.47Å; F120-W122 VanDerWaalsContact C-N 3.27Å; F120-W122 PolarHBondContact O-N 3.43Å; W122-F124 VanDerWaalsContact C-N 3.33Å; W122-F124 PolarHBondContact O-N 3.2Å; W122-L125 HydrophobicContact CE3-CD1 4.34Å; W122-L125 PolarHBondContact O-N 3.24Å; W122-L126 WeakPolarHBondContact O-CB 3.41Å; W122-L126 PolarHBondContact O-N 2.87Å
123A59.3Low60.2Low0 Ų052.8 Ų52.80%025%0.247CC..Hα-helixtrans-64.5-38.8175.200000111.9L48 S119 F120 L126 S127L48-A123 HydrophobicContact CD1-CB 4.3Å; L48-A123 HydrophobicContact CD2-CB 4.39Å; S119-A123 WeakPolarHBondContact O-CB 3.49Å; S119-A123 PolarHBondContact O-N 3.34Å; F120-A123 PolarHBondContact O-N 2.92Å; A123-L126 PolarHBondContact O-N 2.77Å; A123-S127 WeakPolarHBondContact O-CB 3.48Å; A123-S127 PolarHBondContact O-N 3.18Å
124F61.9Low60.3Low112 Ų11260.8 Ų60.849%0.49128%0.275SS..Hα-helixtrans-65.2-46.4175.1-171.3-103.8000111.6F120 W122 L126 S127 L128F120-F124 VanDerWaalsContact O-CB 3.31Å; F120-F124 WeakPolarHBondContact O-CB 3.13Å; F120-F124 PolarHBondContact O-N 3.08Å; W122-F124 VanDerWaalsContact C-N 3.33Å; W122-F124 PolarHBondContact O-N 3.2Å; F124-L126 PolarHBondContact O-N 2.82Å; F124-S127 PolarHBondContact O-N 3.44Å; F124-L128 HydrophobicContact CD1-CD1 4.1Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 WeakPolarHBondContact O-CB 3.31Å; F124-L128 PolarHBondContact O-N 3.47Å
125L63Low60.1Low48 Ų4859.3 Ų59.325%0.25127%0.272SS..Hα-helixtrans-59.3-44.3174.4-85.8155000112K121 W122 S127 L128 Y129K121-L125 HydrophobicContact CG-CD1 3.9Å; K121-L125 WeakPolarHBondContact O-CB 3.36Å; K121-L125 WeakPolarHBondContact O-CD1 3.37Å; K121-L125 PolarHBondContact O-N 2.97Å; W122-L125 HydrophobicContact CE3-CD1 4.34Å; W122-L125 PolarHBondContact O-N 3.24Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 2.95Å; L125-L128 PolarHBondContact O-N 3.24Å; L125-Y129 HydrophobicContact CB-CD2 4.36Å; L125-Y129 HydrophobicContact CB-CE2 4.12Å; L125-Y129 HydrophobicContact CD2-CD2 4.48Å; L125-Y129 HydrophobicContact CD2-CE2 3.62Å; L125-Y129 HydrophobicContact CG-CE2 4.5Å; L125-Y129 WeakPolarHBondContact O-CB 3.48Å; L125-Y129 WeakPolarHBondContact O-CD2 3.24Å; L125-Y129 PolarHBondContact O-N 3.28Å
126L63.8Low60.2Low9 Ų961.3 Ų61.35%0.04729%0.286CS..Hα-helixtrans-57.5-47.4176-175.270.9000111.3W51 V52 T55 W122 A123 F124 Y129 A130W51-L126 HydrophobicContact CB-CD2 4.44Å; V52-L126 HydrophobicContact CB-CD1 4.24Å; V52-L126 HydrophobicContact CG2-CB 3.77Å; V52-L126 HydrophobicContact CG2-CD1 3.59Å; V52-L126 HydrophobicContact CG2-CG 4.17Å; T55-L126 HydrophobicContact CG2-CD1 4.48Å; T55-L126 WeakPolarHBondContact OG1-CD1 3.32Å; W122-L126 WeakPolarHBondContact O-CB 3.41Å; W122-L126 PolarHBondContact O-N 2.87Å; A123-L126 PolarHBondContact O-N 2.77Å; F124-L126 PolarHBondContact O-N 2.82Å; L126-Y129 PolarHBondContact O-N 2.91Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 3.46Å
127S57.4Low60.3Low30 Ų3064 Ų6421%0.2130%0.298CS..Hα-helixtrans-62.8-43.3178.3-173.80000112F75 A123 F124 L125 A130 H131F75-S127 WeakPolarHBondContact CE2-OG 3.45Å; A123-S127 WeakPolarHBondContact O-CB 3.48Å; A123-S127 PolarHBondContact O-N 3.18Å; F124-S127 PolarHBondContact O-N 3.44Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 2.95Å; S127-A130 PolarHBondContact O-N 3.02Å; S127-H131 WeakPolarHBondContact O-CB 3.39Å; S127-H131 PolarHBondContact O-N 2.94Å
128L62.5Low60.1Low66 Ų6660.9 Ų60.935%0.34629%0.294SS..Hα-helixtrans-68.1-39.6-179.4-135.4156.9000112F124 L125 H131 R132F124-L128 HydrophobicContact CD1-CD1 4.1Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 WeakPolarHBondContact O-CB 3.31Å; F124-L128 PolarHBondContact O-N 3.47Å; L125-L128 PolarHBondContact O-N 3.24Å; L128-H131 PolarHBondContact O-N 2.99Å; L128-R132 HydrophobicContact CD2-CG 4.44Å; L128-R132 WeakPolarHBondContact O-CB 3.38Å; L128-R132 PolarHBondContact O-N 3.37Å
129Y60.6Low59.7Low42 Ų4263.2 Ų63.217%0.16531%0.307CS..Hα-helixtrans-66-46.9173.8-72.8-50.7000111.4R11 L125 L126 H131 R132 Y133R11-Y129 PolarHBondContact NH1-OH 3.03Å; L125-Y129 HydrophobicContact CB-CD2 4.36Å; L125-Y129 HydrophobicContact CB-CE2 4.12Å; L125-Y129 HydrophobicContact CD2-CD2 4.48Å; L125-Y129 HydrophobicContact CD2-CE2 3.62Å; L125-Y129 HydrophobicContact CG-CE2 4.5Å; L125-Y129 WeakPolarHBondContact O-CB 3.48Å; L125-Y129 WeakPolarHBondContact O-CD2 3.24Å; L125-Y129 PolarHBondContact O-N 3.28Å; L126-Y129 PolarHBondContact O-N 2.91Å; Y129-H131 VanDerWaalsContact C-N 3.28Å; Y129-H131 PolarHBondContact O-N 2.89Å; Y129-R132 PolarHBondContact O-N 3.41Å; Y129-Y133 WeakPolarHBondContact O-CB 3.43Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.2Å; Y129-Y133 VanDerWaalsContact O-CG 3.29Å; Y129-Y133 PolarHBondContact O-N 2.93Å
130A56.3Low59.9Low15 Ų1567.8 Ų67.812%0.12433%0.33CS..Hα-helixtrans-59.5-37.8176.500000112.7F75 L126 S127 R134F75-A130 HydrophobicContact CD2-CB 3.63Å; F75-A130 HydrophobicContact CE2-CB 4.31Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 3.46Å; S127-A130 PolarHBondContact O-N 3.02Å; A130-R134 PolarHBondContact O-N 3.41Å; A130-R134 VanDerWaalsContact O-N 3.15Å
131H59.8Low59.6Low117 Ų11768 Ų6854%0.54234%0.34SS..Hα-helixtrans-69.1-41.9175.3-167.2-69.9000112.6S127 L128 Y129 R134 A135S127-H131 WeakPolarHBondContact O-CB 3.39Å; S127-H131 PolarHBondContact O-N 2.94Å; L128-H131 PolarHBondContact O-N 2.99Å; Y129-H131 VanDerWaalsContact C-N 3.28Å; Y129-H131 PolarHBondContact O-N 2.89Å; H131-R134 WeakPolarHBondContact O-CB 3.14Å; H131-R134 PolarHBondContact O-N 3.48Å; H131-A135 PolarHBondContact O-N 3.39Å
132R63.1Low59.2Low162 Ų16268.6 Ų68.661%0.61135%0.346SS*.Hα-helixtrans-65.5-41.9176.9-86.4-175.2156.7146.2-3.2112.4L128 Y129 R134 A135 D136L128-R132 HydrophobicContact CD2-CG 4.44Å; L128-R132 WeakPolarHBondContact O-CB 3.38Å; L128-R132 PolarHBondContact O-N 3.37Å; Y129-R132 PolarHBondContact O-N 3.41Å; R132-R134 PolarHBondContact O-N 2.91Å; R132-A135 PolarHBondContact O-N 2.95Å; R132-A135 VanDerWaalsContact O-N 3.1Å; R132-D136 PolarHBondContact O-N 3.49Å; R132-D136 VanDerWaalsContact O-N 3.07Å
133Y57.9Low59.3Low21 Ų2173.7 Ų73.78%0.08237%0.374CS..Hα-helixtrans-63.3-28.8174.8-70.6-44.9000112.7Y59 W64 Y129 F137Y59-Y133 AromaticContact CD2-CD1 3.55Å; Y59-Y133 HydrophobicContact CD2-CD1 3.55Å; Y59-Y133 AromaticContact CD2-CE1 3.08Å; Y59-Y133 HydrophobicContact CD2-CE1 3.08Å; Y59-Y133 HydrophobicContact CD2-CE2 4.21Å; Y59-Y133 HydrophobicContact CD2-CG 4.3Å; Y59-Y133 AromaticContact CD2-CZ 3.43Å; Y59-Y133 VanDerWaalsContact CD2-CZ 3.43Å; Y59-Y133 AromaticContact CE2-CD1 3.33Å; Y59-Y133 HydrophobicContact CE2-CD1 3.33Å; Y59-Y133 AromaticContact CE2-CE1 2.94Å; Y59-Y133 HydrophobicContact CE2-CE1 2.94Å; Y59-Y133 HydrophobicContact CE2-CG 4.42Å; Y59-Y133 AromaticContact CE2-CZ 3.78Å; Y59-Y133 HydrophobicContact CG-CE1 4.05Å; Y59-Y133 AromaticContact CZ-CE1 3.76Å; W64-Y133 AromaticContact CH2-CD1 3.75Å; W64-Y133 HydrophobicContact CH2-CD1 3.75Å; W64-Y133 AromaticContact CH2-CG 3.88Å; W64-Y133 HydrophobicContact CH2-CG 3.88Å; W64-Y133 HydrophobicContact CZ2-CG 4.45Å; Y129-Y133 WeakPolarHBondContact O-CB 3.43Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.2Å; Y129-Y133 VanDerWaalsContact O-CG 3.29Å; Y129-Y133 PolarHBondContact O-N 2.93Å; Y133-F137 WeakPolarHBondContact O-CB 3.45Å; Y133-F137 WeakPolarHBondContact O-CD2 3.33Å; Y133-F137 PolarHBondContact O-N 3.46Å
134R59.8Low59Low179 Ų17977.9 Ų77.968%0.67540%0.403SS*.Hα-helixtrans-69.7-39.9171.5-173180-179.5174.7-1.9112.8A130 H131 R132 F137 A138A130-R134 PolarHBondContact O-N 3.41Å; A130-R134 VanDerWaalsContact O-N 3.15Å; H131-R134 WeakPolarHBondContact O-CB 3.14Å; H131-R134 PolarHBondContact O-N 3.48Å; R132-R134 PolarHBondContact O-N 2.91Å; R134-F137 PolarHBondContact O-N 3.2Å; R134-A138 PolarHBondContact O-N 3.08Å
135A58.8Low58.7Low55 Ų5579.8 Ų79.846%0.45542%0.418SS..Hα-helixtrans-68.8-45-178.200000112H131 R132 F137 A138H131-A135 PolarHBondContact O-N 3.39Å; R132-A135 PolarHBondContact O-N 2.95Å; R132-A135 VanDerWaalsContact O-N 3.1Å; A135-F137 PolarHBondContact O-N 3.23Å; A135-A138 PolarHBondContact O-N 2.98Å
136D60.9Low58.1Low80 Ų8088.5 Ų88.543%0.42846%0.455SS..Hα-helixtrans-62.3-29.2175.8-83.7-17.5000111.9R132 I140R132-D136 PolarHBondContact O-N 3.49Å; R132-D136 VanDerWaalsContact O-N 3.07Å; D136-I140 WeakPolarHBondContact O-CD1 3.35Å; D136-I140 VanDerWaalsContact O-CG1 3.25Å; D136-I140 WeakPolarHBondContact O-CG1 3.41Å; D136-I140 PolarHBondContact O-N 3.48Å
137F56.9Low57.8Low57 Ų5792.5 Ų92.525%0.2548%0.475CS..Hα-helixtrans-77.3-32.2178.6-93.5-98.3000114.6W64 Y133 R134 A135 D139 S141W64-F137 HydrophobicContact CB-CE1 4.01Å; W64-F137 HydrophobicContact CB-CZ 4.05Å; W64-F137 AromaticContact CD1-CD1 3.46Å; W64-F137 VanDerWaalsContact CD1-CD1 3.46Å; W64-F137 AromaticContact CD1-CE1 3.05Å; W64-F137 AromaticContact CD1-CZ 3.5Å; W64-F137 HydrophobicContact CD2-CD1 4.21Å; W64-F137 HydrophobicContact CD2-CD2 4.09Å; W64-F137 AromaticContact CD2-CE1 3.43Å; W64-F137 HydrophobicContact CD2-CE1 3.43Å; W64-F137 VanDerWaalsContact CD2-CE1 3.43Å; W64-F137 AromaticContact CD2-CE2 3.32Å; W64-F137 HydrophobicContact CD2-CE2 3.32Å; W64-F137 HydrophobicContact CD2-CG 4.49Å; W64-F137 AromaticContact CD2-CZ 2.91Å; W64-F137 HydrophobicContact CD2-CZ 2.91Å; W64-F137 AromaticContact CE2-CD1 3.71Å; W64-F137 AromaticContact CE2-CD2 3.31Å; W64-F137 AromaticContact CE2-CE1 3.42Å; W64-F137 VanDerWaalsContact CE2-CE1 3.42Å; W64-F137 AromaticContact CE2-CE2 3.01Å; W64-F137 AromaticContact CE2-CG 3.66Å; W64-F137 AromaticContact CE2-CZ 3.06Å; W64-F137 HydrophobicContact CE3-CD2 4.5Å; W64-F137 HydrophobicContact CE3-CE1 4.19Å; W64-F137 AromaticContact CE3-CE2 3.45Å; W64-F137 HydrophobicContact CE3-CE2 3.45Å; W64-F137 VanDerWaalsContact CE3-CE2 3.45Å; W64-F137 AromaticContact CE3-CZ 3.24Å; W64-F137 HydrophobicContact CE3-CZ 3.24Å; W64-F137 HydrophobicContact CG-CD1 4.09Å; W64-F137 AromaticContact CG-CE1 3.25Å; W64-F137 HydrophobicContact CG-CE1 3.25Å; W64-F137 HydrophobicContact CG-CE2 4.1Å; W64-F137 AromaticContact CG-CZ 3.26Å; W64-F137 HydrophobicContact CG-CZ 3.26Å; W64-F137 AromaticContact CH2-CD2 3.56Å; W64-F137 HydrophobicContact CH2-CD2 3.56Å; W64-F137 AromaticContact CH2-CE2 3.05Å; W64-F137 HydrophobicContact CH2-CE2 3.05Å; W64-F137 AromaticContact CH2-CZ 3.81Å; W64-F137 HydrophobicContact CH2-CZ 3.81Å; W64-F137 HydrophobicContact CZ2-CD1 4.31Å; W64-F137 AromaticContact CZ2-CD2 3.05Å; W64-F137 HydrophobicContact CZ2-CD2 3.05Å; W64-F137 HydrophobicContact CZ2-CE1 4.2Å; W64-F137 AromaticContact CZ2-CE2 2.93Å; W64-F137 HydrophobicContact CZ2-CE2 2.93Å; W64-F137 AromaticContact CZ2-CG 3.79Å; W64-F137 HydrophobicContact CZ2-CG 3.79Å; W64-F137 AromaticContact CZ2-CZ 3.57Å; W64-F137 HydrophobicContact CZ2-CZ 3.57Å; W64-F137 HydrophobicContact CZ3-CD2 4.23Å; W64-F137 AromaticContact CZ3-CE2 3.28Å; W64-F137 HydrophobicContact CZ3-CE2 3.28Å; W64-F137 AromaticContact CZ3-CZ 3.63Å; W64-F137 HydrophobicContact CZ3-CZ 3.63Å; W64-F137 AromaticContact NE1-CD1 3.19Å; W64-F137 AromaticContact NE1-CD2 3.63Å; W64-F137 AromaticContact NE1-CE1 3.16Å; W64-F137 AromaticContact NE1-CE2 3.63Å; W64-F137 AromaticContact NE1-CG 3.43Å; W64-F137 AromaticContact NE1-CZ 3.4Å; Y133-F137 WeakPolarHBondContact O-CB 3.45Å; Y133-F137 WeakPolarHBondContact O-CD2 3.33Å; Y133-F137 PolarHBondContact O-N 3.46Å; R134-F137 PolarHBondContact O-N 3.2Å; A135-F137 PolarHBondContact O-N 3.23Å; F137-D139 VanDerWaalsContact C-N 3.32Å; F137-S141 WeakPolarHBondContact O-CB 3.26Å; F137-S141 PolarHBondContact O-N 3.06Å; F137-S141 PolarHBondContact O-OG 3.32Å; F137-S141 VanDerWaalsContact O-OG 3.13Å
138A57.4Low57.8Low54 Ų5495.8 Ų95.845%0.44649%0.489SS..Hα-helixtrans-62.9-43.2175.500000110.6R134 A135 S141 I142R134-A138 PolarHBondContact O-N 3.08Å; A135-A138 PolarHBondContact O-N 2.98Å; A138-S141 PolarHBondContact O-OG 3.49Å; A138-I142 PolarHBondContact O-N 3.02Å
139D56.4Low57.6Low108 Ų10897.4 Ų97.458%0.57850%0.497SS*.Hα-helixtrans-65.3-45.2177.5-102.90.8000112.5F137 S141 I142 L143F137-D139 VanDerWaalsContact C-N 3.32Å; D139-S141 PolarHBondContact O-N 3.41Å; D139-I142 PolarHBondContact O-N 2.66Å; D139-L143 PolarHBondContact O-N 2.96Å; D139-L143 VanDerWaalsContact O-N 3.11Å
140I59.5Low57.4Low96 Ų96100.7 Ų100.749%0.49252%0.517SS..Hα-helixtrans-66.7-39.3-179.7-64164.1000111.2D136 I142 L143 S144D136-I140 WeakPolarHBondContact O-CD1 3.35Å; D136-I140 VanDerWaalsContact O-CG1 3.25Å; D136-I140 WeakPolarHBondContact O-CG1 3.41Å; D136-I140 PolarHBondContact O-N 3.48Å; I140-I142 VanDerWaalsContact C-N 3.31Å; I140-I142 PolarHBondContact O-N 3.46Å; I140-L143 PolarHBondContact O-N 3.03Å; I140-S144 PolarHBondContact O-N 3.42Å; I140-S144 VanDerWaalsContact O-N 3.08Å; I140-S144 PolarHBondContact O-OG 3.4Å
141S53.2Low57.5Low66 Ų66106.1 Ų106.146%0.46254%0.541SS..Hα-helixtrans-64.2-36.1177.365.10000112.7F137 A138 D139 S144F137-S141 WeakPolarHBondContact O-CB 3.26Å; F137-S141 PolarHBondContact O-N 3.06Å; F137-S141 PolarHBondContact O-OG 3.32Å; F137-S141 VanDerWaalsContact O-OG 3.13Å; A138-S141 PolarHBondContact O-OG 3.49Å; D139-S141 PolarHBondContact O-N 3.41Å; S141-S144 PolarHBondContact O-N 3.07Å; S141-S144 PolarHBondContact O-OG 3.25Å
142I58.3Low57.3Low104 Ų104105.3 Ų105.353%0.53354%0.541SS..Hα-helixtrans-66.5-40175.3-107165.2000111.1A138 D139 I140 D145 F146A138-I142 PolarHBondContact O-N 3.02Å; D139-I142 PolarHBondContact O-N 2.66Å; I140-I142 VanDerWaalsContact C-N 3.31Å; I140-I142 PolarHBondContact O-N 3.46Å; I142-D145 PolarHBondContact O-N 3.17Å; I142-F146 WeakPolarHBondContact O-CD2 3.5Å
143L58.3Low56.9Low126 Ų126101.3 Ų101.366%0.6654%0.536SS*.Hα-helixtrans-72.2-27.3179.5-82.4161.5000113.6D139 I140 D145D139-L143 PolarHBondContact O-N 2.96Å; D139-L143 VanDerWaalsContact O-N 3.11Å; I140-L143 PolarHBondContact O-N 3.03Å; L143-D145 VanDerWaalsContact C-N 3.32Å
144S52.5Low56.8Low89 Ų89107.5 Ų107.562%0.62257%0.571SS**THydrogen-bonded Turntrans-80.4-10.7177.862.70000114.8I140 S141I140-S144 PolarHBondContact O-N 3.42Å; I140-S144 VanDerWaalsContact O-N 3.08Å; I140-S144 PolarHBondContact O-OG 3.4Å; S141-S144 PolarHBondContact O-N 3.07Å; S141-S144 PolarHBondContact O-OG 3.25Å
145D56.2Low56.6Low151 Ų151101.5 Ų101.581%0.80756%0.563SS**THydrogen-bonded Turntrans-96.82-177.9-132.69.1000112.8I142 L143I142-D145 PolarHBondContact O-N 3.17Å; L143-D145 VanDerWaalsContact C-N 3.32Å
146F50.6Low56.4Low232 Ų232105.7 Ų105.7100%1.01857%0.572SS**  trans-104.30171.2-73.5-75.7000110.7I142I142-F146 WeakPolarHBondContact O-CD2 3.5Å

Retrieved 146 of 146 residues in 157.3 ms (Link to these results)

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