A0A5K4FBG6_SCHMA Loading...

DHC_N1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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
1M54.2Low69.5Low97 Ų9789.5 Ų89.548%0.47846%0.459SS..  0137.90-91.7164.663.200109.2E5 Y9 Y138M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CB-CB 4.21Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å; M1-E5 HydrophobicContact CE-CB 3.61Å; M1-E5 HydrophobicContact CG-CB 4.01Å; M1-E5 HydrophobicContact CG-CG 4.43Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; M1-Y9 HydrophobicContact CE-CD2 3.57Å; M1-Y9 HydrophobicContact CE-CE2 3.56Å; M1-Y9 HydrophobicContact SD-CE2 4.16Å; M1-Y138 HydrophobicContact CB-CD2 4.13Å; M1-Y138 HydrophobicContact CB-CE2 3.43Å; M1-Y138 VanDerWaalsContact CB-CE2 3.43Å; M1-Y138 HydrophobicContact CE-CD1 4.32Å; M1-Y138 HydrophobicContact CE-CD2 3.84Å; M1-Y138 HydrophobicContact CE-CE1 4.38Å; M1-Y138 HydrophobicContact CE-CE2 4.09Å; M1-Y138 HydrophobicContact CE-CG 3.95Å; M1-Y138 HydrophobicContact CG-CE2 4.26Å; M1-Y138 PolarHBondContact O-OH 3.23Å; M1-Y138 HydrophobicContact SD-CD2 3.64Å; M1-Y138 HydrophobicContact SD-CE2 3.97Å; M1-Y138 HydrophobicContact SD-CG 4.26Å
2K59.2Low70.7Confident165 Ų16586 Ų8672%0.71745%0.445SS*.  trans-75.9153.9174.8-65.4177.1179.4177.50109N4 E5K2-N4 PolarHBondContact O-N 3.12Å; K2-N4 VanDerWaalsContact O-N 3.08Å; K2-E5 PolarHBondContact N-OE2 3.5Å; K2-E5 PolarHBondContact O-N 3.29Å
3A63.7Low71.3Confident68 Ų6880.9 Ų80.956%0.56242%0.42SS*.Hα-helixtrans-49.1-38.417900000112.6E5 L6 E7A3-E5 VanDerWaalsContact C-N 3.26Å; A3-E5 PolarHBondContact O-N 3.3Å; A3-L6 WeakPolarHBondContact O-CB 3.39Å; A3-L6 PolarHBondContact O-N 3.25Å; A3-E7 PolarHBondContact O-N 3.45Å; A3-E7 VanDerWaalsContact O-N 3.16Å
4N69Low72.1Confident120 Ų12083.8 Ų83.864%0.64243%0.431SS*.Hα-helixtrans-59.9-29.6177.8-5623.6000114K2 S8K2-N4 PolarHBondContact O-N 3.12Å; K2-N4 VanDerWaalsContact O-N 3.08Å; N4-S8 VanDerWaalsContact O-CB 3.3Å; N4-S8 WeakPolarHBondContact O-CB 3.45Å; N4-S8 PolarHBondContact O-N 3.1Å
5E68.5Low73.2Confident92 Ų9289.3 Ų89.343%0.4344%0.444SS..Hα-helixtrans-75.4-28.1177.1-66.7171.712200111.5M1 K2 A3 Y9M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CB-CB 4.21Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å; M1-E5 HydrophobicContact CE-CB 3.61Å; M1-E5 HydrophobicContact CG-CB 4.01Å; M1-E5 HydrophobicContact CG-CG 4.43Å; M1-E5 WeakPolarHBondContact CG-OE2 3.4Å; K2-E5 PolarHBondContact N-OE2 3.5Å; K2-E5 PolarHBondContact O-N 3.29Å; A3-E5 VanDerWaalsContact C-N 3.26Å; A3-E5 PolarHBondContact O-N 3.3Å; E5-Y9 WeakPolarHBondContact O-CD2 3.11Å; E5-Y9 PolarHBondContact O-N 2.88Å; E5-Y9 VanDerWaalsContact O-N 3.12Å
6L67Low74Confident35 Ų3586 Ų8618%0.18343%0.427CS..Hα-helixtrans-72.6-47.3174.4-176.559.5000111.4A3 S8 Y9 D10 F135 Y138 I142A3-L6 WeakPolarHBondContact O-CB 3.39Å; A3-L6 PolarHBondContact O-N 3.25Å; L6-S8 PolarHBondContact O-N 2.64Å; L6-Y9 PolarHBondContact O-N 3.04Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; L6-D10 PolarHBondContact O-N 3.15Å; L6-F135 HydrophobicContact CD1-CD2 3.46Å; L6-F135 VanDerWaalsContact CD1-CD2 3.46Å; L6-F135 HydrophobicContact CD1-CE2 3.35Å; L6-F135 HydrophobicContact CD1-CZ 4.45Å; L6-F135 HydrophobicContact CG-CE2 4.09Å; L6-Y138 HydrophobicContact CB-CD1 4.04Å; L6-Y138 HydrophobicContact CB-CE1 3.66Å; L6-Y138 HydrophobicContact CD1-CD1 3.33Å; L6-Y138 HydrophobicContact CD1-CE1 3.87Å; L6-Y138 HydrophobicContact CD1-CG 4.24Å; L6-Y138 HydrophobicContact CD2-CD1 3.87Å; L6-Y138 HydrophobicContact CD2-CE1 3.74Å; L6-Y138 HydrophobicContact CG-CD1 3.92Å; L6-Y138 HydrophobicContact CG-CE1 3.92Å; L6-I142 HydrophobicContact CD2-CD1 4.05Å
7E72.8Confident74.7Confident120 Ų12081.8 Ų81.856%0.56141%0.411SS*.Hα-helixtrans-55.7-43.8173.4-80175.5159.800110.2A3 Y9 D10 E11A3-E7 PolarHBondContact O-N 3.45Å; A3-E7 VanDerWaalsContact O-N 3.16Å; E7-Y9 PolarHBondContact O-N 3.33Å; E7-D10 PolarHBondContact O-N 2.97Å; E7-E11 WeakPolarHBondContact O-CB 3.09Å; E7-E11 VanDerWaalsContact O-CG 3.28Å; E7-E11 WeakPolarHBondContact O-CG 3.47Å; E7-E11 PolarHBondContact O-N 2.96Å
8S75.6Confident75.5Confident61 Ų6181.6 Ų81.643%0.42742%0.416SS..Hα-helixtrans-60.3-40.5176.2-178.30000113.3N4 L6 T12N4-S8 VanDerWaalsContact O-CB 3.3Å; N4-S8 WeakPolarHBondContact O-CB 3.45Å; N4-S8 PolarHBondContact O-N 3.1Å; L6-S8 PolarHBondContact O-N 2.64Å; S8-T12 VanDerWaalsContact O-CB 3.31Å; S8-T12 WeakPolarHBondContact O-CB 3.29Å; S8-T12 PolarHBondContact O-N 2.83Å; S8-T12 PolarHBondContact O-OG1 3.47Å
9Y73.8Confident76.2Confident61 Ų6181.9 Ų81.924%0.23942%0.418CS..Hα-helixtrans-67.9-43.7175.1-81-55.5000112.5M1 E5 L6 E7 T12 V13 L131 K134M1-Y9 HydrophobicContact CE-CD2 3.57Å; M1-Y9 HydrophobicContact CE-CE2 3.56Å; M1-Y9 HydrophobicContact SD-CE2 4.16Å; E5-Y9 WeakPolarHBondContact O-CD2 3.11Å; E5-Y9 PolarHBondContact O-N 2.88Å; E5-Y9 VanDerWaalsContact O-N 3.12Å; L6-Y9 PolarHBondContact O-N 3.04Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; E7-Y9 PolarHBondContact O-N 3.33Å; Y9-T12 PolarHBondContact O-N 2.93Å; Y9-V13 WeakPolarHBondContact O-CG2 3.29Å; Y9-V13 PolarHBondContact O-N 2.89Å; Y9-L131 HydrophobicContact CD1-CD2 3.71Å; Y9-L131 HydrophobicContact CE1-CD2 3.63Å; Y9-K134 HydrophobicContact CE1-CB 4.41Å; Y9-K134 HydrophobicContact CE1-CD 4.04Å
10D77.3Confident76.8Confident59 Ų5978.1 Ų78.132%0.31640%0.399SS..Hα-helixtrans-61.9-51.3178.2-172.329.1000110.8L6 E7 T12 V13 Q14 F135L6-D10 PolarHBondContact O-N 3.15Å; E7-D10 PolarHBondContact O-N 2.97Å; D10-T12 VanDerWaalsContact C-N 3.25Å; D10-T12 PolarHBondContact O-N 3.41Å; D10-V13 PolarHBondContact O-N 3.43Å; D10-V13 VanDerWaalsContact O-N 3.13Å; D10-Q14 VanDerWaalsContact CG-NE2 3.27Å; D10-Q14 WeakPolarHBondContact O-CB 3.4Å; D10-Q14 WeakPolarHBondContact O-CG 3.4Å; D10-Q14 PolarHBondContact O-N 3.31Å; D10-Q14 PolarHBondContact OD1-NE2 3.46Å; D10-Q14 PolarHBondContact OD2-NE2 3.47Å; D10-F135 HydrophobicContact CB-CD2 4.42Å; D10-F135 HydrophobicContact CB-CE2 3.75Å; D10-F135 HydrophobicContact CB-CZ 4.26Å
11E83.7Confident77.3Confident106 Ų10678.2 Ų78.250%0.49540%0.4SS..Hα-helixtrans-55.7-41.2176-75.1-179.9-177.300111.9E7 R15E7-E11 WeakPolarHBondContact O-CB 3.09Å; E7-E11 VanDerWaalsContact O-CG 3.28Å; E7-E11 WeakPolarHBondContact O-CG 3.47Å; E7-E11 PolarHBondContact O-N 2.96Å; E11-R15 VanDerWaalsContact O-CB 3.25Å; E11-R15 WeakPolarHBondContact O-CB 3.18Å; E11-R15 PolarHBondContact O-N 3.43Å
12T83.8Confident79Confident48 Ų4879.7 Ų79.729%0.29440%0.404SS..Hα-helixtrans-68.4-43.2179.4-56.80000111.2S8 Y9 D10 R15 M16 L131S8-T12 VanDerWaalsContact O-CB 3.31Å; S8-T12 WeakPolarHBondContact O-CB 3.29Å; S8-T12 PolarHBondContact O-N 2.83Å; S8-T12 PolarHBondContact O-OG1 3.47Å; Y9-T12 PolarHBondContact O-N 2.93Å; D10-T12 VanDerWaalsContact C-N 3.25Å; D10-T12 PolarHBondContact O-N 3.41Å; T12-R15 PolarHBondContact O-N 3.27Å; T12-M16 HydrophobicContact CG2-CG 4.35Å; T12-M16 HydrophobicContact CG2-SD 4.22Å; T12-M16 WeakPolarHBondContact O-CB 3.42Å; T12-M16 WeakPolarHBondContact O-CG 3.4Å; T12-M16 PolarHBondContact O-N 3.48Å; T12-L131 HydrophobicContact CG2-CD1 3.8Å
13V78.6Confident80.3Confident20 Ų2073.9 Ų73.912%0.12138%0.38CS..Hα-helixtrans-63.5-45.2176.5169.30000110.4Y9 D10 R15 M16 G17 F128 L131 K132Y9-V13 WeakPolarHBondContact O-CG2 3.29Å; Y9-V13 PolarHBondContact O-N 2.89Å; D10-V13 PolarHBondContact O-N 3.43Å; D10-V13 VanDerWaalsContact O-N 3.13Å; V13-R15 VanDerWaalsContact C-N 3.26Å; V13-R15 PolarHBondContact O-N 2.91Å; V13-M16 PolarHBondContact O-N 2.92Å; V13-G17 PolarHBondContact O-N 3.29Å; V13-G17 VanDerWaalsContact O-N 3.16Å; V13-F128 HydrophobicContact CG1-CE2 3.9Å; V13-F128 HydrophobicContact CG1-CZ 4.31Å; V13-L131 HydrophobicContact CG2-CB 3.97Å; V13-K132 HydrophobicContact CG1-CG 4.07Å; V13-K132 HydrophobicContact CG2-CG 4.41Å
14Q82.8Confident81.4Confident121 Ų12171.3 Ų71.357%0.56536%0.356SS*.Hα-helixtrans-63.2-31.9177.5-71.1-175.91800112.6D10 P18D10-Q14 VanDerWaalsContact CG-NE2 3.27Å; D10-Q14 WeakPolarHBondContact O-CB 3.4Å; D10-Q14 WeakPolarHBondContact O-CG 3.4Å; D10-Q14 PolarHBondContact O-N 3.31Å; D10-Q14 PolarHBondContact OD1-NE2 3.46Å; D10-Q14 PolarHBondContact OD2-NE2 3.47Å; Q14-P18 WeakPolarHBondContact O-CD 3.46Å; Q14-P18 WeakPolarHBondContact O-CG 3.01Å
15R88.3Confident82.3Confident167 Ų16768.4 Ų68.463%0.6335%0.349SS*.Hα-helixtrans-79-38.8176.7-163.2-177-53.4-176.24.6112.9E11 T12 V13 L19E11-R15 VanDerWaalsContact O-CB 3.25Å; E11-R15 WeakPolarHBondContact O-CB 3.18Å; E11-R15 PolarHBondContact O-N 3.43Å; T12-R15 PolarHBondContact O-N 3.27Å; V13-R15 VanDerWaalsContact C-N 3.26Å; V13-R15 PolarHBondContact O-N 2.91Å; R15-L19 WeakPolarHBondContact O-CG 3.45Å
16M86Confident83.1Confident36 Ų3668.8 Ų68.818%0.17735%0.351CS..Hα-helixtrans-72.3-37.2-176.4-81.9-169.467.600113.4T12 V13 L19 I20 V127 F128 L131T12-M16 HydrophobicContact CG2-CG 4.35Å; T12-M16 HydrophobicContact CG2-SD 4.22Å; T12-M16 WeakPolarHBondContact O-CB 3.42Å; T12-M16 WeakPolarHBondContact O-CG 3.4Å; T12-M16 PolarHBondContact O-N 3.48Å; V13-M16 PolarHBondContact O-N 2.92Å; M16-L19 PolarHBondContact O-N 3.23Å; M16-I20 HydrophobicContact CE-CD1 4.22Å; M16-I20 WeakPolarHBondContact O-CG1 3.25Å; M16-I20 PolarHBondContact O-N 3.43Å; M16-V127 HydrophobicContact CE-CB 4.19Å; M16-V127 HydrophobicContact CE-CG1 3.91Å; M16-V127 HydrophobicContact SD-CG1 4.19Å; M16-F128 HydrophobicContact CB-CD2 3.75Å; M16-F128 HydrophobicContact CB-CE2 4.18Å; M16-F128 HydrophobicContact CE-CB 3.95Å; M16-F128 HydrophobicContact CE-CD2 4.5Å; M16-L131 HydrophobicContact SD-CD1 3.44Å; M16-L131 WeakPolarHBondContact SD-CD1 2.85Å
17G85.4Confident83.8Confident14 Ų1468.1 Ų68.114%0.14435%0.347CS..Hα-helixtrans-52.5-57.3-179.600000112.7V13 L19 I20 D21V13-G17 PolarHBondContact O-N 3.29Å; V13-G17 VanDerWaalsContact O-N 3.16Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.92Å; G17-I20 PolarHBondContact O-N 3.22Å; G17-I20 VanDerWaalsContact O-N 3.17Å; G17-D21 PolarHBondContact O-N 2.7Å
18P90.2Very high84.2Confident78 Ų7865.8 Ų65.851%0.50634%0.335SS..Hα-helixtrans-60.2-33.9177.8-26.135.2000114.3Q14 D21 K22Q14-P18 WeakPolarHBondContact O-CD 3.46Å; Q14-P18 WeakPolarHBondContact O-CG 3.01Å; P18-D21 PolarHBondContact O-N 2.68Å; P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 2.67Å
19L88.8Confident84.5Confident88 Ų8865.5 Ų65.546%0.46134%0.337SS..Hα-helixtrans-67.1-41.7176.7-71.3172.3000111.6R15 M16 G17 K22 E23R15-L19 WeakPolarHBondContact O-CG 3.45Å; M16-L19 PolarHBondContact O-N 3.23Å; G17-L19 VanDerWaalsContact C-N 3.3Å; G17-L19 PolarHBondContact O-N 2.92Å; L19-K22 PolarHBondContact O-N 2.82Å; L19-E23 PolarHBondContact O-N 2.84Å; L19-E23 VanDerWaalsContact O-N 3.09Å
20I87.2Confident84.6Confident5 Ų566.6 Ų66.63%0.02635%0.347CS..Hα-helixtrans-66.2-42.5175.1-69.2170.2000110.3M16 G17 K22 E23 I24 R124 F125 F128M16-I20 HydrophobicContact CE-CD1 4.22Å; M16-I20 WeakPolarHBondContact O-CG1 3.25Å; M16-I20 PolarHBondContact O-N 3.43Å; G17-I20 PolarHBondContact O-N 3.22Å; G17-I20 VanDerWaalsContact O-N 3.17Å; I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 3.2Å; I20-E23 PolarHBondContact O-N 2.85Å; I20-I24 HydrophobicContact CG2-CD1 3.71Å; I20-I24 HydrophobicContact CG2-CG1 4.38Å; I20-I24 WeakPolarHBondContact O-CB 3.25Å; I20-I24 WeakPolarHBondContact O-CD1 3.48Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.37Å; I20-I24 PolarHBondContact O-N 3.09Å; I20-R124 HydrophobicContact CD1-CB 4.34Å; I20-R124 HydrophobicContact CG1-CB 4.22Å; I20-F125 HydrophobicContact CG2-CD1 4.16Å; I20-F125 HydrophobicContact CG2-CE1 3.66Å; I20-F125 HydrophobicContact CG2-CZ 4.23Å; I20-F128 HydrophobicContact CD1-CB 3.54Å; I20-F128 HydrophobicContact CD1-CD1 4.25Å; I20-F128 HydrophobicContact CD1-CD2 4.15Å; I20-F128 HydrophobicContact CD1-CG 3.74Å
21D88.5Confident84.3Confident81 Ų8163.8 Ų63.843%0.43333%0.332SS..Hα-helixtrans-61-40.3176.5-72.4-34.2000111.9G17 P18 I24 A25 R46G17-D21 PolarHBondContact O-N 2.7Å; P18-D21 PolarHBondContact O-N 2.68Å; D21-I24 PolarHBondContact O-N 2.92Å; D21-A25 PolarHBondContact O-N 3.42Å; D21-R46 IonicContact OD1-CZ 2.62Å; D21-R46 IonicContact OD1-NH2 2.8Å; D21-R46 PolarHBondContact OD1-NH2 3.34Å
22K89.7Confident83.6Confident128 Ų12862.9 Ų62.956%0.55733%0.333SS*.Hα-helixtrans-62.1-47.7175.4-175.8179.9174.1-173.80111.7P18 L19 I20 I24 A25 E26P18-K22 WeakPolarHBondContact O-CB 3.49Å; P18-K22 PolarHBondContact O-N 2.67Å; L19-K22 PolarHBondContact O-N 2.82Å; I20-K22 VanDerWaalsContact C-N 3.3Å; I20-K22 PolarHBondContact O-N 3.2Å; K22-I24 VanDerWaalsContact C-N 3.34Å; K22-I24 PolarHBondContact O-N 3.3Å; K22-A25 WeakPolarHBondContact O-CB 3.28Å; K22-A25 PolarHBondContact O-N 3.36Å; K22-A25 VanDerWaalsContact O-N 3.15Å; K22-E26 WeakPolarHBondContact CE-OE1 3.32Å; K22-E26 IonicContact NZ-OE1 3.97Å; K22-E26 WeakPolarHBondContact O-CG 3.24Å; K22-E26 PolarHBondContact O-N 2.77Å
23E86.2Confident82.8Confident43 Ų4367 Ų6720%0.20135%0.353CS..Hα-helixtrans-65.6-37.2178-76.3-179.4152.200112.6L19 I20 A25 E26 I27 L121 R124L19-E23 PolarHBondContact O-N 2.84Å; L19-E23 VanDerWaalsContact O-N 3.09Å; I20-E23 PolarHBondContact O-N 2.85Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.23Å; E23-E26 PolarHBondContact O-N 2.94Å; E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.45Å; E23-I27 PolarHBondContact O-N 3.17Å; E23-L121 HydrophobicContact CB-CD1 4.12Å; E23-R124 IonicContact OE1-CZ 2.99Å; E23-R124 IonicContact OE1-NE 3.08Å; E23-R124 PolarHBondContact OE1-NE 3.07Å; E23-R124 IonicContact OE1-NH1 2.77Å; E23-R124 PolarHBondContact OE1-NH1 2.96Å; E23-R124 IonicContact OE1-NH2 3.76Å; E23-R124 PolarHBondContact OE1-NH2 2.97Å; E23-R124 WeakPolarHBondContact OE2-CD 3.42Å; E23-R124 IonicContact OE2-CZ 2.67Å; E23-R124 IonicContact OE2-NE 2.98Å; E23-R124 PolarHBondContact OE2-NE 3.41Å; E23-R124 IonicContact OE2-NH1 2.75Å; E23-R124 PolarHBondContact OE2-NH1 3.24Å; E23-R124 IonicContact OE2-NH2 2.68Å
24I86.7Confident82.2Confident15 Ų1571.4 Ų71.48%0.07737%0.372CS..Hα-helixtrans-58.4-44.7171.9-73.1163.3000110.1I20 D21 K22 K28 F38 I42 L121 F125I20-I24 HydrophobicContact CG2-CD1 3.71Å; I20-I24 HydrophobicContact CG2-CG1 4.38Å; I20-I24 WeakPolarHBondContact O-CB 3.25Å; I20-I24 WeakPolarHBondContact O-CD1 3.48Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.37Å; I20-I24 PolarHBondContact O-N 3.09Å; D21-I24 PolarHBondContact O-N 2.92Å; K22-I24 VanDerWaalsContact C-N 3.34Å; K22-I24 PolarHBondContact O-N 3.3Å; I24-K28 WeakPolarHBondContact O-CB 3.41Å; I24-K28 PolarHBondContact O-N 3.08Å; I24-F38 HydrophobicContact CG2-CE1 4.38Å; I24-I42 HydrophobicContact CD1-CG2 3.82Å; I24-I42 HydrophobicContact CG1-CD1 4.11Å; I24-I42 HydrophobicContact CG1-CG2 4.27Å; I24-I42 HydrophobicContact CG2-CG1 4.1Å; I24-I42 HydrophobicContact CG2-CG2 4.16Å; I24-L121 HydrophobicContact CG1-CD1 4.04Å; I24-L121 HydrophobicContact CG1-CD2 3.8Å; I24-L121 HydrophobicContact CG1-CG 4.5Å; I24-F125 HydrophobicContact CD1-CE1 4.29Å; I24-F125 HydrophobicContact CD1-CZ 3.8Å
25A88Confident81.2Confident59 Ų5969.2 Ų69.249%0.48838%0.382SS..Hα-helixtrans-63.9-40.5178.300000112.1D21 K22 E23 K28 A29D21-A25 PolarHBondContact O-N 3.42Å; K22-A25 WeakPolarHBondContact O-CB 3.28Å; K22-A25 PolarHBondContact O-N 3.36Å; K22-A25 VanDerWaalsContact O-N 3.15Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 3.23Å; A25-K28 PolarHBondContact O-N 3.42Å; A25-A29 WeakPolarHBondContact O-CB 3.5Å; A25-A29 PolarHBondContact O-N 3.45Å
26E85.2Confident80.1Confident99 Ų9962.6 Ų62.646%0.46336%0.361SS..Hα-helixtrans-64.2-49.4176.5-71.9172.7-179.100111.8K22 E23 K28 A29 N30K22-E26 WeakPolarHBondContact CE-OE1 3.32Å; K22-E26 IonicContact NZ-OE1 3.97Å; K22-E26 WeakPolarHBondContact O-CG 3.24Å; K22-E26 PolarHBondContact O-N 2.77Å; E23-E26 PolarHBondContact O-N 2.94Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.17Å; E26-A29 PolarHBondContact O-N 2.9Å; E26-N30 PolarHBondContact O-N 3.25Å; E26-N30 VanDerWaalsContact O-N 3.12Å
27I80.5Confident79.4Confident21 Ų2167.2 Ų67.211%0.10838%0.382CS..Hα-helixtrans-64.2-41.5177.3-61.8167.9000110.2E23 A29 N30 L31 F38 E117 L121E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.45Å; E23-I27 PolarHBondContact O-N 3.17Å; I27-A29 VanDerWaalsContact C-N 3.34Å; I27-A29 PolarHBondContact O-N 2.98Å; I27-N30 PolarHBondContact O-N 2.91Å; I27-L31 HydrophobicContact CG2-CD1 3.56Å; I27-L31 HydrophobicContact CG2-CG 4.17Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.29Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.08Å; I27-F38 HydrophobicContact CB-CE1 3.99Å; I27-F38 HydrophobicContact CB-CZ 3.79Å; I27-F38 HydrophobicContact CG2-CE1 3.79Å; I27-F38 HydrophobicContact CG2-CE2 3.72Å; I27-F38 HydrophobicContact CG2-CZ 3.21Å; I27-E117 HydrophobicContact CD1-CB 4.49Å; I27-E117 HydrophobicContact CG2-CB 4.44Å; I27-L121 HydrophobicContact CD1-CB 4.42Å; I27-L121 HydrophobicContact CD1-CD1 3.99Å
28K82.4Confident79Confident72 Ų7266.7 Ų66.731%0.31338%0.376SS..Hα-helixtrans-59.2-45.2176.2-175.5175.5179.8168.40111.3I24 A25 E26 N30 L31 T32 F38 D39I24-K28 WeakPolarHBondContact O-CB 3.41Å; I24-K28 PolarHBondContact O-N 3.08Å; A25-K28 PolarHBondContact O-N 3.42Å; E26-K28 VanDerWaalsContact C-N 3.33Å; E26-K28 PolarHBondContact O-N 3.17Å; K28-N30 VanDerWaalsContact C-N 3.32Å; K28-N30 PolarHBondContact O-N 3.4Å; K28-L31 PolarHBondContact O-N 3Å; K28-T32 WeakPolarHBondContact O-CB 3.38Å; K28-T32 PolarHBondContact O-N 3.24Å; K28-T32 PolarHBondContact O-OG1 2.95Å; K28-F38 HydrophobicContact CB-CD1 3.68Å; K28-F38 HydrophobicContact CB-CE1 4.08Å; K28-F38 HydrophobicContact CG-CD1 4.12Å; K28-D39 WeakPolarHBondContact CD-OD1 3.44Å; K28-D39 WeakPolarHBondContact CE-OD1 3.44Å; K28-D39 WeakPolarHBondContact CE-OD2 3.45Å; K28-D39 IonicContact NZ-OD1 2.7Å; K28-D39 PolarHBondContact NZ-OD1 3.11Å; K28-D39 IonicContact NZ-OD2 2.63Å; K28-D39 PolarHBondContact NZ-OD2 3.19Å
29A81.3Confident78.3Confident55 Ų5567 Ų6746%0.45537%0.373SS..Hα-helixtrans-60.7-42.8178.300000111.4A25 E26 I27 L31 N33A25-A29 WeakPolarHBondContact O-CB 3.5Å; A25-A29 PolarHBondContact O-N 3.45Å; E26-A29 PolarHBondContact O-N 2.9Å; I27-A29 VanDerWaalsContact C-N 3.34Å; I27-A29 PolarHBondContact O-N 2.98Å; A29-L31 PolarHBondContact O-N 2.63Å; A29-N33 PolarHBondContact O-ND2 2.83Å
30N75.6Confident77.6Confident84 Ų8469 Ų6945%0.44938%0.378SS..Hα-helixtrans-63.3-39.8175.3-74.6-11.7000112.4E26 I27 K28 H34E26-N30 PolarHBondContact O-N 3.25Å; E26-N30 VanDerWaalsContact O-N 3.12Å; I27-N30 PolarHBondContact O-N 2.91Å; K28-N30 VanDerWaalsContact C-N 3.32Å; K28-N30 PolarHBondContact O-N 3.4Å; N30-H34 PolarHBondContact O-CE1 3.34Å; N30-H34 VanDerWaalsContact O-CE1 3.3Å; N30-H34 PolarHBondContact O-ND1 3.36Å
31L71.4Confident77.2Confident0 Ų069.4 Ų69.40%038%0.381CS..Hα-helixtrans-81.3-30.1-175.7-73.3174.5000115I27 K28 A29 N33 H34 F38 Y114I27-L31 HydrophobicContact CG2-CD1 3.56Å; I27-L31 HydrophobicContact CG2-CG 4.17Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.29Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.08Å; K28-L31 PolarHBondContact O-N 3Å; A29-L31 PolarHBondContact O-N 2.63Å; L31-N33 PolarHBondContact O-N 2.83Å; L31-H34 WeakPolarHBondContact O-CA 3.38Å; L31-H34 WeakPolarHBondContact O-CB 3.39Å; L31-H34 PolarHBondContact O-N 3.13Å; L31-F38 HydrophobicContact CB-CB 4.39Å; L31-F38 HydrophobicContact CD1-CB 3.99Å; L31-F38 HydrophobicContact CD1-CD1 4.12Å; L31-F38 HydrophobicContact CD1-CD2 3.01Å; L31-F38 HydrophobicContact CD1-CE1 4.31Å; L31-F38 HydrophobicContact CD1-CE2 3.26Å; L31-F38 HydrophobicContact CD1-CG 3.46Å; L31-F38 VanDerWaalsContact CD1-CG 3.46Å; L31-F38 HydrophobicContact CD1-CZ 3.92Å; L31-F38 HydrophobicContact CG-CD2 4.44Å; L31-Y114 HydrophobicContact CD2-CD1 3.14Å; L31-Y114 HydrophobicContact CD2-CD2 3.54Å; L31-Y114 HydrophobicContact CD2-CE1 3.44Å; L31-Y114 VanDerWaalsContact CD2-CE1 3.44Å; L31-Y114 HydrophobicContact CD2-CE2 3.81Å; L31-Y114 HydrophobicContact CD2-CG 3.2Å; L31-Y114 HydrophobicContact CG-CD1 4.25Å
32T68.9Low76.8Confident86 Ų8666 Ų6653%0.52836%0.362SS..Hα-helixtrans-62.1-31.2179.9-51.80000110.5K28 H34 G35K28-T32 WeakPolarHBondContact O-CB 3.38Å; K28-T32 PolarHBondContact O-N 3.24Å; K28-T32 PolarHBondContact O-OG1 2.95Å; T32-H34 PolarHBondContact O-N 2.89Å; T32-G35 PolarHBondContact O-N 3.34Å
33N67.2Low76.4Confident134 Ų13465.2 Ų65.272%0.71736%0.361SS*.THydrogen-bonded Turntrans-62.6-10.3172.5-65.9-23.7000114.1A29 L31A29-N33 PolarHBondContact O-ND2 2.83Å; L31-N33 PolarHBondContact O-N 2.83Å
34H65.2Low75.9Confident113 Ų11363.7 Ų63.752%0.52335%0.354SS..THydrogen-bonded Turntrans-119.810-174.7-57.787.8000113.4N30 L31 T32 V36 Y114N30-H34 PolarHBondContact O-CE1 3.34Å; N30-H34 VanDerWaalsContact O-CE1 3.3Å; N30-H34 PolarHBondContact O-ND1 3.36Å; L31-H34 WeakPolarHBondContact O-CA 3.38Å; L31-H34 WeakPolarHBondContact O-CB 3.39Å; L31-H34 PolarHBondContact O-N 3.13Å; T32-H34 PolarHBondContact O-N 2.89Å; H34-V36 VanDerWaalsContact C-N 3.31Å; H34-V36 HydrophobicContact CB-CG2 4.47Å; H34-V36 PolarHBondContact O-N 2.94Å; H34-Y114 PolarHBondContact CD2-OH 3.21Å; H34-Y114 PolarHBondContact CE1-OH 3.31Å; H34-Y114 VanDerWaalsContact CE1-OH 3.29Å; H34-Y114 AromaticContact CG-CZ 3.95Å; H34-Y114 PolarHBondContact ND1-OH 3.02Å; H34-Y114 PolarHBondContact NE2-OH 3.35Å; H34-Y114 VanDerWaalsContact NE2-OH 3.1Å
35G63.6Low75.6Confident75 Ų7563.3 Ų63.377%0.77335%0.352SS*.THydrogen-bonded Turntrans7215.8174.600000115.6T32T32-G35 PolarHBondContact O-N 3.34Å
36V65Low75.3Confident29 Ų2964.5 Ų64.518%0.17634%0.344CS..  trans-85.7133-178.7-179.60000111H34 F38 L110H34-V36 VanDerWaalsContact C-N 3.31Å; H34-V36 HydrophobicContact CB-CG2 4.47Å; H34-V36 PolarHBondContact O-N 2.94Å; V36-F38 PolarHBondContact O-N 2.98Å; V36-L110 HydrophobicContact CG1-CD2 3.91Å; V36-L110 HydrophobicContact CG1-CG 4.42Å
37Q70.8Confident74.9Confident132 Ų13262.4 Ų62.462%0.61734%0.335SS*.  trans-76.970.3171.9-73.4-163.1-10.200112D39 K40Q37-D39 VanDerWaalsContact C-N 3.33Å; Q37-D39 PolarHBondContact O-N 3.36Å; Q37-K40 VanDerWaalsContact OE1-CE 3.27Å
38F75.9Confident74.9Confident4 Ų463.1 Ų63.12%0.01834%0.337CS..Hα-helixtrans-63.8-32.7-174.8-172.9-120.7000114.5I24 I27 K28 L31 V36 K40 V41 I42 I118I24-F38 HydrophobicContact CG2-CE1 4.38Å; I27-F38 HydrophobicContact CB-CE1 3.99Å; I27-F38 HydrophobicContact CB-CZ 3.79Å; I27-F38 HydrophobicContact CG2-CE1 3.79Å; I27-F38 HydrophobicContact CG2-CE2 3.72Å; I27-F38 HydrophobicContact CG2-CZ 3.21Å; K28-F38 HydrophobicContact CB-CD1 3.68Å; K28-F38 HydrophobicContact CB-CE1 4.08Å; K28-F38 HydrophobicContact CG-CD1 4.12Å; L31-F38 HydrophobicContact CB-CB 4.39Å; L31-F38 HydrophobicContact CD1-CB 3.99Å; L31-F38 HydrophobicContact CD1-CD1 4.12Å; L31-F38 HydrophobicContact CD1-CD2 3.01Å; L31-F38 HydrophobicContact CD1-CE1 4.31Å; L31-F38 HydrophobicContact CD1-CE2 3.26Å; L31-F38 HydrophobicContact CD1-CG 3.46Å; L31-F38 VanDerWaalsContact CD1-CG 3.46Å; L31-F38 HydrophobicContact CD1-CZ 3.92Å; L31-F38 HydrophobicContact CG-CD2 4.44Å; V36-F38 PolarHBondContact O-N 2.98Å; F38-K40 VanDerWaalsContact C-N 3.28Å; F38-K40 PolarHBondContact O-N 3.4Å; F38-V41 HydrophobicContact CD2-CB 4.44Å; F38-V41 WeakPolarHBondContact O-CB 3.47Å; F38-V41 PolarHBondContact O-N 3.07Å; F38-I42 HydrophobicContact CD1-CD1 4.38Å; F38-I42 HydrophobicContact CD1-CG1 3.76Å; F38-I42 HydrophobicContact CD2-CG1 4.43Å; F38-I42 HydrophobicContact CE1-CD1 3.59Å; F38-I42 HydrophobicContact CE1-CG1 3.42Å; F38-I42 VanDerWaalsContact CE1-CG1 3.42Å; F38-I42 HydrophobicContact CE2-CD1 3.9Å; F38-I42 HydrophobicContact CE2-CG1 4.15Å; F38-I42 HydrophobicContact CG-CG1 4.28Å; F38-I42 HydrophobicContact CZ-CD1 3.32Å; F38-I42 HydrophobicContact CZ-CG1 3.65Å; F38-I42 PolarHBondContact O-N 3.05Å; F38-I118 HydrophobicContact CE2-CD1 4.06Å; F38-I118 HydrophobicContact CE2-CG1 3.88Å
39D76.6Confident74.8Confident84 Ų8460.8 Ų60.845%0.44933%0.326SS..Hα-helixtrans-58-40.3-177.4-70.2-33.8000112.7K28 Q37 V41 I42 E43K28-D39 WeakPolarHBondContact CD-OD1 3.44Å; K28-D39 WeakPolarHBondContact CE-OD1 3.44Å; K28-D39 WeakPolarHBondContact CE-OD2 3.45Å; K28-D39 IonicContact NZ-OD1 2.7Å; K28-D39 PolarHBondContact NZ-OD1 3.11Å; K28-D39 IonicContact NZ-OD2 2.63Å; K28-D39 PolarHBondContact NZ-OD2 3.19Å; Q37-D39 VanDerWaalsContact C-N 3.33Å; Q37-D39 PolarHBondContact O-N 3.36Å; D39-V41 VanDerWaalsContact C-N 3.28Å; D39-V41 PolarHBondContact O-N 3.5Å; D39-I42 PolarHBondContact O-N 2.97Å; D39-E43 WeakPolarHBondContact O-CB 3.32Å; D39-E43 PolarHBondContact O-N 3.43Å
40K74.6Confident74.8Confident130 Ų13062.1 Ų62.157%0.56532%0.323SS*.Hα-helixtrans-65.2-34.1177.6-73-178.3178167.70112.3Q37 F38 C44Q37-K40 VanDerWaalsContact OE1-CE 3.27Å; F38-K40 VanDerWaalsContact C-N 3.28Å; F38-K40 PolarHBondContact O-N 3.4Å; K40-C44 WeakPolarHBondContact O-CB 3.37Å; K40-C44 PolarHBondContact O-N 2.86Å
41V77.2Confident74.9Confident14 Ų1458.2 Ų58.29%0.08530%0.303CS..Hα-helixtrans-67-49.4177.3178.30000109F38 D39 E43 C44 R45 L110 I118F38-V41 HydrophobicContact CD2-CB 4.44Å; F38-V41 WeakPolarHBondContact O-CB 3.47Å; F38-V41 PolarHBondContact O-N 3.07Å; D39-V41 VanDerWaalsContact C-N 3.28Å; D39-V41 PolarHBondContact O-N 3.5Å; V41-E43 PolarHBondContact O-N 3.21Å; V41-C44 WeakPolarHBondContact O-CB 3.36Å; V41-C44 PolarHBondContact O-N 3.35Å; V41-R45 WeakPolarHBondContact O-CG 3.38Å; V41-R45 PolarHBondContact O-N 3.37Å; V41-L110 HydrophobicContact CB-CD1 4.26Å; V41-L110 HydrophobicContact CG1-CD1 3.77Å; V41-L110 HydrophobicContact CG2-CD1 3.55Å; V41-L110 HydrophobicContact CG2-CG 4.42Å; V41-I118 HydrophobicContact CG1-CD1 4.17Å; V41-I118 HydrophobicContact CG1-CG2 4.35Å
42I81.3Confident75.4Confident9 Ų960.9 Ų60.95%0.04632%0.315CS..Hα-helixtrans-59.2-47.2177.8-66.2-53000111.9I24 F38 D39 C44 R45 R46 L121 F125I24-I42 HydrophobicContact CD1-CG2 3.82Å; I24-I42 HydrophobicContact CG1-CD1 4.11Å; I24-I42 HydrophobicContact CG1-CG2 4.27Å; I24-I42 HydrophobicContact CG2-CG1 4.1Å; I24-I42 HydrophobicContact CG2-CG2 4.16Å; F38-I42 HydrophobicContact CD1-CD1 4.38Å; F38-I42 HydrophobicContact CD1-CG1 3.76Å; F38-I42 HydrophobicContact CD2-CG1 4.43Å; F38-I42 HydrophobicContact CE1-CD1 3.59Å; F38-I42 HydrophobicContact CE1-CG1 3.42Å; F38-I42 VanDerWaalsContact CE1-CG1 3.42Å; F38-I42 HydrophobicContact CE2-CD1 3.9Å; F38-I42 HydrophobicContact CE2-CG1 4.15Å; F38-I42 HydrophobicContact CG-CG1 4.28Å; F38-I42 HydrophobicContact CZ-CD1 3.32Å; F38-I42 HydrophobicContact CZ-CG1 3.65Å; F38-I42 PolarHBondContact O-N 3.05Å; D39-I42 PolarHBondContact O-N 2.97Å; I42-C44 VanDerWaalsContact C-N 3.32Å; I42-C44 PolarHBondContact O-N 3.16Å; I42-R45 PolarHBondContact O-N 2.83Å; I42-R46 WeakPolarHBondContact O-CG 3.19Å; I42-R46 PolarHBondContact O-N 2.87Å; I42-L121 HydrophobicContact CD1-CD2 3.2Å; I42-F125 HydrophobicContact CG2-CZ 4.29Å
43E80.4Confident76Confident112 Ų11257.2 Ų57.252%0.52329%0.292SS..Hα-helixtrans-59.5-44.6177.3-165.4-167.8168.400111.1D39 V41 R45 R46 M47D39-E43 WeakPolarHBondContact O-CB 3.32Å; D39-E43 PolarHBondContact O-N 3.43Å; V41-E43 PolarHBondContact O-N 3.21Å; E43-R45 PolarHBondContact O-N 3.34Å; E43-R46 PolarHBondContact O-N 3.05Å; E43-M47 HydrophobicContact CG-CE 3.74Å; E43-M47 PolarHBondContact O-N 3.11Å
44C76.7Confident76.4Confident10 Ų1051.4 Ų51.47%0.06826%0.264CS..Hα-helixtrans-58.3-45.4175.9-170.80000112K40 V41 I42 F48 C106K40-C44 WeakPolarHBondContact O-CB 3.37Å; K40-C44 PolarHBondContact O-N 2.86Å; V41-C44 WeakPolarHBondContact O-CB 3.36Å; V41-C44 PolarHBondContact O-N 3.35Å; I42-C44 VanDerWaalsContact C-N 3.32Å; I42-C44 PolarHBondContact O-N 3.16Å; C44-F48 WeakPolarHBondContact O-CB 3.3Å; C44-F48 PolarHBondContact O-N 3.17Å; C44-C106 VanDerWaalsContact C-SG 3.59Å; C44-C106 HydrophobicContact CB-CB 3.77Å; C44-C106 WeakPolarHBondContact CB-SG 3.33Å; C44-C106 VanDerWaalsContact SG-CA 3.52Å; C44-C106 WeakPolarHBondContact SG-CB 3.48Å; C44-C106 CovalentContact SG-SG 2.05Å; C44-C106 PolarHBondContact SG-SG 3.03Å
45R80.4Confident77Confident8 Ų846.5 Ų46.53%0.0324%0.243CC..Hα-helixtrans-67.4-43.6179.1-64.9-52.8-59.5178.11.1112.4V41 I42 E43 M47 F48 Y49 G103 C106 D122 F125V41-R45 WeakPolarHBondContact O-CG 3.38Å; V41-R45 PolarHBondContact O-N 3.37Å; I42-R45 PolarHBondContact O-N 2.83Å; E43-R45 PolarHBondContact O-N 3.34Å; R45-M47 PolarHBondContact O-N 3.24Å; R45-F48 PolarHBondContact O-N 3.45Å; R45-Y49 VanDerWaalsContact NH2-CZ 3.25Å; R45-Y49 PolarHBondContact NH2-OH 3.04Å; R45-Y49 VanDerWaalsContact O-CD2 3.24Å; R45-Y49 WeakPolarHBondContact O-CD2 3.4Å; R45-Y49 PolarHBondContact O-N 2.92Å; R45-G103 PolarHBondContact NH1-O 2.8Å; R45-G103 VanDerWaalsContact NH1-O 3.08Å; R45-C106 HydrophobicContact CG-CB 4.37Å; R45-D122 IonicContact CZ-OD1 3.06Å; R45-D122 IonicContact CZ-OD2 2.68Å; R45-D122 IonicContact NE-OD1 3.39Å; R45-D122 PolarHBondContact NE-OD1 3.33Å; R45-D122 IonicContact NE-OD2 3.63Å; R45-D122 PolarHBondContact NE-OD2 3.32Å; R45-D122 IonicContact NH1-OD2 3.44Å; R45-D122 IonicContact NH2-OD1 3.71Å; R45-D122 PolarHBondContact NH2-OD1 3.29Å; R45-D122 IonicContact NH2-OD2 2.85Å; R45-D122 PolarHBondContact NH2-OD2 3.33Å; R45-F125 HydrophobicContact CB-CD2 3.98Å; R45-F125 HydrophobicContact CB-CE2 3.87Å
46R82.2Confident77.8Confident83 Ų8348.7 Ų48.731%0.31323%0.228SC..Hα-helixtrans-55.9-52.2174.3-77.7179.1176.8-165.9-6.1111.1D21 I42 E43 F48 Y49 E50 F125 Y129D21-R46 IonicContact OD1-CZ 2.62Å; D21-R46 IonicContact OD1-NH2 2.8Å; D21-R46 PolarHBondContact OD1-NH2 3.34Å; I42-R46 WeakPolarHBondContact O-CG 3.19Å; I42-R46 PolarHBondContact O-N 2.87Å; E43-R46 PolarHBondContact O-N 3.05Å; R46-F48 VanDerWaalsContact C-N 3.31Å; R46-F48 PolarHBondContact O-N 2.93Å; R46-Y49 PolarHBondContact O-N 3.21Å; R46-E50 VanDerWaalsContact O-CB 3.24Å; R46-E50 WeakPolarHBondContact O-CB 3.43Å; R46-E50 PolarHBondContact O-N 3.45Å; R46-F125 HydrophobicContact CG-CD1 4.31Å; R46-F125 HydrophobicContact CG-CE1 3.48Å; R46-F125 VanDerWaalsContact CG-CE1 3.48Å; R46-F125 HydrophobicContact CG-CE2 4.44Å; R46-F125 HydrophobicContact CG-CZ 3.55Å; R46-Y129 PolarHBondContact O-OH 2.9Å
47M76.2Confident78.4Confident56 Ų5648.7 Ų48.728%0.27623%0.228SC..Hα-helixtrans-60.5-39.7179.2-79.5-169.5-80.500112.5E43 R45 S51E43-M47 HydrophobicContact CG-CE 3.74Å; E43-M47 PolarHBondContact O-N 3.11Å; R45-M47 PolarHBondContact O-N 3.24Å; M47-S51 WeakPolarHBondContact O-CB 3.34Å; M47-S51 PolarHBondContact O-N 3.37Å; M47-S51 PolarHBondContact O-OG 2.67Å
48F79.1Confident78.7Confident36 Ų3644.6 Ų44.616%0.15821%0.208CC..Hα-helixtrans-58.4-53.8178.2173.6-95.3000111.5C44 R45 R46 S51 E52 R101C44-F48 WeakPolarHBondContact O-CB 3.3Å; C44-F48 PolarHBondContact O-N 3.17Å; R45-F48 PolarHBondContact O-N 3.45Å; R46-F48 VanDerWaalsContact C-N 3.31Å; R46-F48 PolarHBondContact O-N 2.93Å; F48-S51 PolarHBondContact O-N 3.12Å; F48-E52 WeakPolarHBondContact O-CB 3.31Å; F48-E52 PolarHBondContact O-N 3.25Å; F48-R101 WeakPolarHBondContact CD2-O 3.32Å
49Y81.3Confident78.9Confident22 Ų2246.6 Ų46.69%0.08622%0.219CC..Hα-helixtrans-69.9-36.9-178.8-73.6-68.8000112.7R45 R46 S51 Q53 D122 F125 Y129R45-Y49 VanDerWaalsContact NH2-CZ 3.25Å; R45-Y49 PolarHBondContact NH2-OH 3.04Å; R45-Y49 VanDerWaalsContact O-CD2 3.24Å; R45-Y49 WeakPolarHBondContact O-CD2 3.4Å; R45-Y49 PolarHBondContact O-N 2.92Å; R46-Y49 PolarHBondContact O-N 3.21Å; Y49-S51 VanDerWaalsContact C-N 3.26Å; Y49-S51 PolarHBondContact O-N 3.05Å; Y49-Q53 WeakPolarHBondContact O-CB 3.24Å; Y49-Q53 WeakPolarHBondContact O-CG 3.11Å; Y49-Q53 PolarHBondContact O-N 2.96Å; Y49-D122 PolarHBondContact OH-O 3.46Å; Y49-D122 VanDerWaalsContact OH-O 3.12Å; Y49-F125 HydrophobicContact CD2-CB 3.33Å; Y49-F125 HydrophobicContact CD2-CD2 4.46Å; Y49-F125 HydrophobicContact CD2-CG 4.14Å; Y49-F125 HydrophobicContact CE2-CB 3.46Å; Y49-F125 VanDerWaalsContact CE2-CB 3.46Å; Y49-F125 HydrophobicContact CE2-CD2 4.44Å; Y49-F125 HydrophobicContact CE2-CG 4.37Å; Y49-F125 HydrophobicContact CG-CB 4.09Å; Y49-Y129 HydrophobicContact CG-CD2 4.32Å
50E82.1Confident78.9Confident84 Ų8443.7 Ų43.739%0.39320%0.204SC..Hα-helixtrans-59.6-42.4172.9-170.4157.8-178.800111.3R46 G54 Y129R46-E50 VanDerWaalsContact O-CB 3.24Å; R46-E50 WeakPolarHBondContact O-CB 3.43Å; R46-E50 PolarHBondContact O-N 3.45Å; E50-G54 WeakPolarHBondContact O-CA 3.38Å; E50-G54 PolarHBondContact O-N 3.12Å; E50-Y129 VanDerWaalsContact CA-CE1 3.47Å; E50-Y129 HydrophobicContact CB-CD1 4.04Å; E50-Y129 HydrophobicContact CB-CE1 3.39Å; E50-Y129 HydrophobicContact CG-CE1 3.82Å; E50-Y129 PolarHBondContact OE2-OH 3.45Å
51S77.2Confident78.8Confident2 Ų238.7 Ų38.71%0.01418%0.183CC..Hα-helixtrans-69.8-46.7-179.8-58.40000112.4M47 F48 Y49 Q53 G54 A55 Y94 Q97M47-S51 WeakPolarHBondContact O-CB 3.34Å; M47-S51 PolarHBondContact O-N 3.37Å; M47-S51 PolarHBondContact O-OG 2.67Å; F48-S51 PolarHBondContact O-N 3.12Å; Y49-S51 VanDerWaalsContact C-N 3.26Å; Y49-S51 PolarHBondContact O-N 3.05Å; S51-Q53 VanDerWaalsContact C-N 3.35Å; S51-Q53 PolarHBondContact O-N 2.93Å; S51-G54 PolarHBondContact O-N 3.43Å; S51-A55 WeakPolarHBondContact O-CB 3.1Å; S51-A55 PolarHBondContact O-N 2.92Å; S51-Y94 VanDerWaalsContact CA-CD1 3.44Å; S51-Y94 WeakPolarHBondContact CB-O 3.24Å; S51-Y94 WeakPolarHBondContact O-CB 3.33Å; S51-Q97 WeakPolarHBondContact OG-CB 3.24Å; S51-Q97 PolarHBondContact OG-OE1 3.37Å
52E81.2Confident78.7Confident55 Ų5538.5 Ų38.526%0.25718%0.181SC..Hα-helixtrans-58.4-48.3177.7-167.5-166.7173.800111.5F48 R56F48-E52 WeakPolarHBondContact O-CB 3.31Å; F48-E52 PolarHBondContact O-N 3.25Å; E52-R56 WeakPolarHBondContact O-CG 3.11Å; E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 IonicContact OE1-CZ 3.07Å; E52-R56 IonicContact OE1-NE 3.75Å; E52-R56 IonicContact OE1-NH2 3.41Å; E52-R56 PolarHBondContact OE1-NH2 3.2Å
53Q82.5Confident78.5Confident9 Ų942.5 Ų42.54%0.04220%0.2CC..Hα-helixtrans-76.7-29.2-178.3-63.7-55.5-36.200112.7Y49 S51 R56 T57 H133Y49-Q53 WeakPolarHBondContact O-CB 3.24Å; Y49-Q53 WeakPolarHBondContact O-CG 3.11Å; Y49-Q53 PolarHBondContact O-N 2.96Å; S51-Q53 VanDerWaalsContact C-N 3.35Å; S51-Q53 PolarHBondContact O-N 2.93Å; Q53-R56 PolarHBondContact O-N 3.37Å; Q53-T57 PolarHBondContact O-N 3.42Å; Q53-T57 PolarHBondContact O-OG1 3.07Å; Q53-H133 HydrophobicContact CB-CB 4.12Å
54G74.2Confident78Confident12 Ų1238.3 Ų38.312%0.12418%0.182CC..Hα-helixtrans-60.4-52.2170.100000111.2E50 S51 R56 T57 F58E50-G54 WeakPolarHBondContact O-CA 3.38Å; E50-G54 PolarHBondContact O-N 3.12Å; S51-G54 PolarHBondContact O-N 3.43Å; G54-R56 VanDerWaalsContact C-N 3.29Å; G54-R56 PolarHBondContact O-N 3.35Å; G54-T57 WeakPolarHBondContact O-CA 3.42Å; G54-T57 WeakPolarHBondContact O-CB 3.44Å; G54-T57 PolarHBondContact O-N 3.47Å; G54-F58 VanDerWaalsContact O-CD2 3.29Å; G54-F58 WeakPolarHBondContact O-CD2 3.08Å; G54-F58 PolarHBondContact O-N 3.24Å
55A78.1Confident77.6Confident10 Ų1038.4 Ų38.48%0.08318%0.182CC..Hα-helixtrans-56.5-42.6176.200000112.3S51 F58 N59 Q95S51-A55 WeakPolarHBondContact O-CB 3.1Å; S51-A55 PolarHBondContact O-N 2.92Å; A55-F58 PolarHBondContact O-N 3.45Å; A55-N59 WeakPolarHBondContact O-CB 3.5Å; A55-N59 PolarHBondContact O-N 2.94Å; A55-Q95 HydrophobicContact CB-CG 3.88Å
56R81.2Confident77.1Confident122 Ų12243.5 Ų43.546%0.4621%0.206SC..Hα-helixtrans-62.6-41.3174.5-69.7172.3-175.9-146.15.4112.2E52 Q53 G54 N59 V60E52-R56 WeakPolarHBondContact O-CG 3.11Å; E52-R56 PolarHBondContact O-N 3.02Å; E52-R56 IonicContact OE1-CZ 3.07Å; E52-R56 IonicContact OE1-NE 3.75Å; E52-R56 IonicContact OE1-NH2 3.41Å; E52-R56 PolarHBondContact OE1-NH2 3.2Å; Q53-R56 PolarHBondContact O-N 3.37Å; G54-R56 VanDerWaalsContact C-N 3.29Å; G54-R56 PolarHBondContact O-N 3.35Å; R56-N59 PolarHBondContact O-N 2.92Å; R56-V60 WeakPolarHBondContact O-CG2 3.42Å; R56-V60 PolarHBondContact O-N 3.36Å
57T77.1Confident76.3Confident29 Ų2945.1 Ų45.118%0.17823%0.225CC..Hα-helixtrans-60.3-49.4177.1-540000111.1Q53 G54 N59 V60 M61 H133Q53-T57 PolarHBondContact O-N 3.42Å; Q53-T57 PolarHBondContact O-OG1 3.07Å; G54-T57 WeakPolarHBondContact O-CA 3.42Å; G54-T57 WeakPolarHBondContact O-CB 3.44Å; G54-T57 PolarHBondContact O-N 3.47Å; T57-N59 VanDerWaalsContact C-N 3.33Å; T57-N59 PolarHBondContact O-N 3.3Å; T57-V60 PolarHBondContact O-N 2.98Å; T57-M61 PolarHBondContact O-N 3.49Å; T57-H133 PolarHBondContact OG1-ND1 3.34Å
58F76.6Confident75.4Confident46 Ų4646.5 Ų46.520%0.20223%0.233CC..Hα-helixtrans-66.5-34.7178.7-78-73.3000112.6G54 A55 M61 I62 Q90 K91 Y94G54-F58 VanDerWaalsContact O-CD2 3.29Å; G54-F58 WeakPolarHBondContact O-CD2 3.08Å; G54-F58 PolarHBondContact O-N 3.24Å; A55-F58 PolarHBondContact O-N 3.45Å; F58-M61 HydrophobicContact CD1-SD 4.19Å; F58-M61 HydrophobicContact CE1-SD 4.3Å; F58-M61 WeakPolarHBondContact O-CB 3.42Å; F58-M61 PolarHBondContact O-N 3.12Å; F58-I62 WeakPolarHBondContact O-CD1 3.45Å; F58-I62 VanDerWaalsContact O-CG1 3.27Å; F58-I62 WeakPolarHBondContact O-CG1 3.15Å; F58-I62 PolarHBondContact O-N 2.93Å; F58-Q90 HydrophobicContact CD1-CB 4.07Å; F58-Q90 HydrophobicContact CD2-CB 3.91Å; F58-Q90 HydrophobicContact CE1-CB 3.85Å; F58-Q90 HydrophobicContact CE1-CG 4.12Å; F58-Q90 HydrophobicContact CE2-CB 3.74Å; F58-Q90 HydrophobicContact CE2-CG 4.45Å; F58-Q90 HydrophobicContact CG-CB 4.09Å; F58-Q90 HydrophobicContact CZ-CB 3.68Å; F58-Q90 HydrophobicContact CZ-CG 3.96Å; F58-K91 HydrophobicContact CB-CB 3.94Å; F58-Y94 HydrophobicContact CD2-CD2 4.01Å; F58-Y94 HydrophobicContact CD2-CE2 4.07Å; F58-Y94 HydrophobicContact CE2-CD2 4.05Å; F58-Y94 AromaticContact CE2-CE2 3.63Å; F58-Y94 HydrophobicContact CE2-CE2 3.63Å
59N80.8Confident74Confident46 Ų4652.6 Ų52.625%0.24626%0.26CS..Hα-helixtrans-60.2-47.8173.7-166.269.4000111.6A55 R56 T57 M61 I62 E63 K91A55-N59 WeakPolarHBondContact O-CB 3.5Å; A55-N59 PolarHBondContact O-N 2.94Å; R56-N59 PolarHBondContact O-N 2.92Å; T57-N59 VanDerWaalsContact C-N 3.33Å; T57-N59 PolarHBondContact O-N 3.3Å; N59-M61 VanDerWaalsContact C-N 3.29Å; N59-M61 PolarHBondContact O-N 2.91Å; N59-I62 PolarHBondContact O-N 2.8Å; N59-E63 PolarHBondContact ND2-OE1 2.89Å; N59-E63 WeakPolarHBondContact O-CB 3.33Å; N59-E63 WeakPolarHBondContact O-CG 3.33Å; N59-E63 PolarHBondContact O-N 3.39Å; N59-K91 HydrophobicContact CB-CD 4.36Å; N59-K91 PolarHBondContact OD1-NZ 2.67Å
60V77Confident72.7Confident23 Ų2353.5 Ų53.514%0.13926%0.264CS..Hα-helixtrans-62.1-38.4175.8172.50000111.5R56 T57 T64 K137R56-V60 WeakPolarHBondContact O-CG2 3.42Å; R56-V60 PolarHBondContact O-N 3.36Å; T57-V60 PolarHBondContact O-N 2.98Å; V60-T64 VanDerWaalsContact O-CB 3.22Å; V60-T64 WeakPolarHBondContact O-CB 3.36Å; V60-T64 PolarHBondContact O-N 2.62Å; V60-T64 PolarHBondContact O-OG1 3.4Å; V60-K137 HydrophobicContact CG1-CD 3.85Å; V60-K137 HydrophobicContact CG1-CG 3.92Å
61M72.6Confident71Confident25 Ų2558 Ų5812%0.12328%0.283CS..Hα-helixtrans-61.8-49.5176.2169.1165.6179.600111.6T57 F58 N59 T64 I65 L83 S87 F140T57-M61 PolarHBondContact O-N 3.49Å; F58-M61 HydrophobicContact CD1-SD 4.19Å; F58-M61 HydrophobicContact CE1-SD 4.3Å; F58-M61 WeakPolarHBondContact O-CB 3.42Å; F58-M61 PolarHBondContact O-N 3.12Å; N59-M61 VanDerWaalsContact C-N 3.29Å; N59-M61 PolarHBondContact O-N 2.91Å; M61-T64 PolarHBondContact O-N 3.38Å; M61-I65 HydrophobicContact CE-CD1 4.12Å; M61-I65 HydrophobicContact CG-CD1 3.85Å; M61-I65 WeakPolarHBondContact O-CD1 3.38Å; M61-I65 VanDerWaalsContact O-CG1 3.27Å; M61-I65 WeakPolarHBondContact O-CG1 3.49Å; M61-I65 PolarHBondContact O-N 3.18Å; M61-L83 HydrophobicContact CE-CD1 3.67Å; M61-L83 HydrophobicContact CE-CD2 3.86Å; M61-L83 HydrophobicContact CE-CG 3.72Å; M61-S87 WeakPolarHBondContact CE-OG 3.18Å; M61-F140 HydrophobicContact CB-CE1 4.31Å; M61-F140 HydrophobicContact CB-CE2 4.23Å; M61-F140 HydrophobicContact CB-CZ 4.13Å; M61-F140 HydrophobicContact CE-CD2 4.35Å; M61-F140 HydrophobicContact CE-CE2 3.56Å; M61-F140 HydrophobicContact CE-CZ 4.3Å; M61-F140 HydrophobicContact CG-CD2 4.12Å; M61-F140 HydrophobicContact CG-CE1 4.17Å; M61-F140 HydrophobicContact CG-CE2 3.45Å; M61-F140 VanDerWaalsContact CG-CE2 3.45Å; M61-F140 HydrophobicContact CG-CZ 3.5Å; M61-F140 VanDerWaalsContact CG-CZ 3.5Å; M61-F140 HydrophobicContact SD-CD2 3.86Å; M61-F140 HydrophobicContact SD-CE2 3.47Å; M61-F140 WeakPolarHBondContact SD-CE2 3.43Å; M61-F140 HydrophobicContact SD-CZ 4.18Å
62I74.8Confident69.5Low9 Ų959 Ų595%0.04629%0.289CS..Hα-helixtrans-59.6-50.3177.5-66.8159.1000110.2F58 N59 T64 I65 Q66 I84 E88 K91F58-I62 WeakPolarHBondContact O-CD1 3.45Å; F58-I62 VanDerWaalsContact O-CG1 3.27Å; F58-I62 WeakPolarHBondContact O-CG1 3.15Å; F58-I62 PolarHBondContact O-N 2.93Å; N59-I62 PolarHBondContact O-N 2.8Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.37Å; I62-I65 PolarHBondContact O-N 3.27Å; I62-Q66 HydrophobicContact CG2-CG 4.24Å; I62-Q66 WeakPolarHBondContact O-CB 3.39Å; I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 2.56Å; I62-I84 HydrophobicContact CG2-CG2 4.44Å; I62-E88 HydrophobicContact CD1-CB 4.43Å; I62-E88 HydrophobicContact CD1-CG 3.67Å; I62-E88 HydrophobicContact CG1-CG 4.43Å; I62-K91 HydrophobicContact CD1-CD 4.28Å
63E77.5Confident68Low93 Ų9361.9 Ų61.944%0.43531%0.313SS..Hα-helixtrans-58.6-43.2177.3-74.1171.8-177.100111.4N59 I65 Q66 V67N59-E63 PolarHBondContact ND2-OE1 2.89Å; N59-E63 WeakPolarHBondContact O-CB 3.33Å; N59-E63 WeakPolarHBondContact O-CG 3.33Å; N59-E63 PolarHBondContact O-N 3.39Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.49Å; E63-Q66 PolarHBondContact O-N 3.39Å; E63-V67 VanDerWaalsContact O-CB 3.24Å; E63-V67 WeakPolarHBondContact O-CB 3.33Å; E63-V67 WeakPolarHBondContact O-CG2 3.49Å; E63-V67 PolarHBondContact O-N 3.32Å
64T69.6Low66.3Low25 Ų2566.6 Ų66.615%0.15334%0.338CS..Hα-helixtrans-62.8-41.9179.2-59.50000111.1V60 M61 I62 N68 F140 L141V60-T64 VanDerWaalsContact O-CB 3.22Å; V60-T64 WeakPolarHBondContact O-CB 3.36Å; V60-T64 PolarHBondContact O-N 2.62Å; V60-T64 PolarHBondContact O-OG1 3.4Å; M61-T64 PolarHBondContact O-N 3.38Å; I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 PolarHBondContact O-N 3.37Å; T64-N68 VanDerWaalsContact CG2-ND2 3.31Å; T64-N68 WeakPolarHBondContact CG2-ND2 3.34Å; T64-N68 WeakPolarHBondContact O-CB 3.3Å; T64-N68 PolarHBondContact O-N 3.44Å; T64-N68 PolarHBondContact O-ND2 3.08Å; T64-F140 HydrophobicContact CG2-CE1 3.92Å; T64-L141 HydrophobicContact CG2-CD2 3.84Å
65I68.3Low65.2Low11 Ų1167 Ų676%0.05634%0.338CS..Hα-helixtrans-69.4-39.8178-65.8163.3000111.3M61 I62 E63 F80 L83 I84 F140M61-I65 HydrophobicContact CE-CD1 4.12Å; M61-I65 HydrophobicContact CG-CD1 3.85Å; M61-I65 WeakPolarHBondContact O-CD1 3.38Å; M61-I65 VanDerWaalsContact O-CG1 3.27Å; M61-I65 WeakPolarHBondContact O-CG1 3.49Å; M61-I65 PolarHBondContact O-N 3.18Å; I62-I65 PolarHBondContact O-N 3.27Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.49Å; I65-F80 HydrophobicContact CG2-CB 3.5Å; I65-F80 HydrophobicContact CG2-CD1 4.26Å; I65-F80 HydrophobicContact CG2-CD2 4.1Å; I65-F80 HydrophobicContact CG2-CG 3.7Å; I65-L83 HydrophobicContact CD1-CD2 3.75Å; I65-L83 HydrophobicContact CD1-CG 4.19Å; I65-I84 HydrophobicContact CB-CG1 4.49Å; I65-I84 HydrophobicContact CG2-CD1 3.83Å; I65-I84 HydrophobicContact CG2-CG1 3.85Å; I65-F140 HydrophobicContact CD1-CZ 4.13Å; I65-F140 HydrophobicContact CG1-CZ 4.07Å
66Q70.6Confident63.9Low116 Ų11671.5 Ų71.554%0.54236%0.364SS..Hα-helixtrans-74.1-42.1-178.5-73.1177.5-17.100112.8I62 E63 I84I62-Q66 HydrophobicContact CG2-CG 4.24Å; I62-Q66 WeakPolarHBondContact O-CB 3.39Å; I62-Q66 WeakPolarHBondContact O-CG 3.45Å; I62-Q66 PolarHBondContact O-N 2.56Å; E63-Q66 PolarHBondContact O-N 3.39Å; Q66-I84 HydrophobicContact CG-CD1 4.33Å
67V64.7Low62.4Low117 Ų11773.3 Ų73.371%0.70938%0.383SS*.Hα-helixtrans-83.5-36.7-175.8-177.30000111.1E63 K69E63-V67 VanDerWaalsContact O-CB 3.24Å; E63-V67 WeakPolarHBondContact O-CB 3.33Å; E63-V67 WeakPolarHBondContact O-CG2 3.49Å; E63-V67 PolarHBondContact O-N 3.32Å; V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.15Å
68N56Low61.3Low84 Ų8480.3 Ų80.345%0.44941%0.407SS..  trans-78.192.6166-65.4-50.6000108.5T64 F70T64-N68 VanDerWaalsContact CG2-ND2 3.31Å; T64-N68 WeakPolarHBondContact CG2-ND2 3.34Å; T64-N68 WeakPolarHBondContact O-CB 3.3Å; T64-N68 PolarHBondContact O-N 3.44Å; T64-N68 PolarHBondContact O-ND2 3.08Å; N68-F70 PolarHBondContact O-N 3.38Å
69K51.1Low60.6Low165 Ų16583.9 Ų83.972%0.71743%0.428SS*.  trans-44.8101135.2-68.3-179.1178.6-177.20105V67 K71V67-K69 VanDerWaalsContact C-N 3.33Å; V67-K69 PolarHBondContact O-N 3.15Å; K69-K71 HydrophobicContact CB-CG 3.85Å; K69-K71 PolarHBondContact O-N 3.31Å
70F52.6Low60.1Low41 Ų4183 Ų8318%0.1842%0.422CS..  trans-60.984.5166.8-78.8-99.3000105.8N68 S72 V75 F80 F144N68-F70 PolarHBondContact O-N 3.38Å; F70-S72 PolarHBondContact O-N 3Å; F70-V75 HydrophobicContact CB-CB 3.6Å; F70-V75 HydrophobicContact CB-CG1 3.52Å; F70-V75 HydrophobicContact CB-CG2 4.26Å; F70-V75 HydrophobicContact CD1-CB 4.1Å; F70-V75 HydrophobicContact CD1-CG1 3.68Å; F70-V75 HydrophobicContact CD1-CG2 3.97Å; F70-V75 HydrophobicContact CD2-CG1 4.09Å; F70-V75 HydrophobicContact CE1-CG1 4.33Å; F70-V75 HydrophobicContact CG-CB 4.06Å; F70-V75 HydrophobicContact CG-CG1 3.53Å; F70-V75 HydrophobicContact CG-CG2 4.44Å; F70-F80 AromaticContact CD2-CE2 3.58Å; F70-F80 HydrophobicContact CD2-CE2 3.58Å; F70-F80 AromaticContact CD2-CZ 3.77Å; F70-F80 HydrophobicContact CD2-CZ 3.77Å; F70-F80 HydrophobicContact CE2-CE1 4.22Å; F70-F80 AromaticContact CE2-CE2 3.72Å; F70-F80 HydrophobicContact CE2-CE2 3.72Å; F70-F80 AromaticContact CE2-CZ 3.52Å; F70-F80 HydrophobicContact CE2-CZ 3.52Å; F70-F80 HydrophobicContact CG-CE2 4.41Å; F70-F80 HydrophobicContact CG-CZ 4.47Å; F70-F80 HydrophobicContact CZ-CZ 4.03Å; F70-F144 HydrophobicContact CE1-CB 4.23Å; F70-F144 WeakPolarHBondContact CE1-O 3.24Å; F70-F144 HydrophobicContact CZ-CB 3.97Å; F70-F144 HydrophobicContact CZ-CD1 4.04Å; F70-F144 HydrophobicContact CZ-CG 4.42Å
71K46.4Very low59.9Low179 Ų17985.2 Ų85.278%0.77844%0.436SS*.  trans-74.618.9177.4-73.3-174.8176.3-177.20110.5K69K69-K71 HydrophobicContact CB-CG 3.85Å; K69-K71 PolarHBondContact O-N 3.31Å
72S47.3Very low59.8Low22 Ų2290.2 Ų90.215%0.15446%0.459CS..SBendtrans-81.1123.9162.8178.40000107.2F70 L74 V75 V76 V148F70-S72 PolarHBondContact O-N 3Å; S72-L74 PolarHBondContact O-N 2.05Å; S72-L74 PolarHBondContact OG-N 2.99Å; S72-V75 PolarHBondContact O-N 3.02Å; S72-V76 WeakPolarHBondContact O-CG2 3.38Å; S72-V148 WeakPolarHBondContact OG-CG1 3.18Å
73P49.5Very low59.5Low115 Ų11592.4 Ų92.475%0.74747%0.471SS*.THydrogen-bonded Turntrans-50-23.5172.6-25.833.7000113.6
74L47.2Very low59.2Low109 Ų10989.5 Ų89.557%0.57146%0.458SS*.THydrogen-bonded Turntrans-76-16.9179.9-68.3162000114.5S72 V151 V152S72-L74 PolarHBondContact O-N 2.05Å; S72-L74 PolarHBondContact OG-N 2.99Å; L74-V151 HydrophobicContact CD1-CB 4.07Å; L74-V151 HydrophobicContact CD1-CG1 3.78Å; L74-V152 HydrophobicContact CD1-CG2 3.98Å
75V50.9Low59.5Low21 Ų2193.3 Ų93.313%0.12747%0.472CS..THydrogen-bonded Turntrans-113.7-2.5-173.4-169.10000112.1F70 S72 N77 Y78 F80 V148F70-V75 HydrophobicContact CB-CB 3.6Å; F70-V75 HydrophobicContact CB-CG1 3.52Å; F70-V75 HydrophobicContact CB-CG2 4.26Å; F70-V75 HydrophobicContact CD1-CB 4.1Å; F70-V75 HydrophobicContact CD1-CG1 3.68Å; F70-V75 HydrophobicContact CD1-CG2 3.97Å; F70-V75 HydrophobicContact CD2-CG1 4.09Å; F70-V75 HydrophobicContact CE1-CG1 4.33Å; F70-V75 HydrophobicContact CG-CB 4.06Å; F70-V75 HydrophobicContact CG-CG1 3.53Å; F70-V75 HydrophobicContact CG-CG2 4.44Å; S72-V75 PolarHBondContact O-N 3.02Å; V75-N77 PolarHBondContact O-N 3.22Å; V75-Y78 PolarHBondContact O-N 3.08Å; V75-F80 HydrophobicContact CG1-CE2 3.92Å; V75-F80 HydrophobicContact CG1-CZ 3.66Å; V75-V148 HydrophobicContact CG2-CB 4.44Å; V75-V148 HydrophobicContact CG2-CG1 3.71Å; V75-V148 HydrophobicContact CG2-CG2 3.77Å
76V49.1Very low59.8Low103 Ų10395.6 Ų95.662%0.62449%0.488SS*.THydrogen-bonded Turntrans-61-19.8-173.8-170.70000113S72S72-V76 WeakPolarHBondContact O-CG2 3.38Å
77N50.3Low60Low161 Ų16190.1 Ų90.186%0.86146%0.463SS*.THydrogen-bonded Turntrans-99.91.4178.6-76.2-13.2000115V75 N79V75-N77 PolarHBondContact O-N 3.22Å; N77-N79 PolarHBondContact O-N 2.9Å
78Y53.6Low60.6Low176 Ų17688.3 Ų88.369%0.6945%0.447SS*.  trans-87107179.3-127.8-90.4000110.5V75 F80V75-Y78 PolarHBondContact O-N 3.08Å; Y78-F80 HydrophobicContact CD1-CD1 4.45Å; Y78-F80 HydrophobicContact CD1-CE1 4.15Å; Y78-F80 VanDerWaalsContact O-CD2 3.24Å; Y78-F80 WeakPolarHBondContact O-CD2 3.26Å; Y78-F80 WeakPolarHBondContact O-CE2 3.09Å; Y78-F80 PolarHBondContact O-N 3.16Å
79N63Low61.8Low120 Ų12089.4 Ų89.464%0.64245%0.449SS*.  trans-73.1109.7170.6-179.30.3000109.5N77 T81N77-N79 PolarHBondContact O-N 2.9Å; N79-T81 VanDerWaalsContact C-N 3.34Å; N79-T81 WeakPolarHBondContact OD1-CB 3.36Å; N79-T81 PolarHBondContact OD1-N 2.91Å; N79-T81 PolarHBondContact OD1-OG1 3.19Å
80F69.7Low63Low29 Ų2984.1 Ų84.113%0.12743%0.427CS..  trans-85.42.8177.6-63.1-76.6000114.2I65 F70 V75 Y78 E82 L83 I84 F144I65-F80 HydrophobicContact CG2-CB 3.5Å; I65-F80 HydrophobicContact CG2-CD1 4.26Å; I65-F80 HydrophobicContact CG2-CD2 4.1Å; I65-F80 HydrophobicContact CG2-CG 3.7Å; F70-F80 AromaticContact CD2-CE2 3.58Å; F70-F80 HydrophobicContact CD2-CE2 3.58Å; F70-F80 AromaticContact CD2-CZ 3.77Å; F70-F80 HydrophobicContact CD2-CZ 3.77Å; F70-F80 HydrophobicContact CE2-CE1 4.22Å; F70-F80 AromaticContact CE2-CE2 3.72Å; F70-F80 HydrophobicContact CE2-CE2 3.72Å; F70-F80 AromaticContact CE2-CZ 3.52Å; F70-F80 HydrophobicContact CE2-CZ 3.52Å; F70-F80 HydrophobicContact CG-CE2 4.41Å; F70-F80 HydrophobicContact CG-CZ 4.47Å; F70-F80 HydrophobicContact CZ-CZ 4.03Å; V75-F80 HydrophobicContact CG1-CE2 3.92Å; V75-F80 HydrophobicContact CG1-CZ 3.66Å; Y78-F80 HydrophobicContact CD1-CD1 4.45Å; Y78-F80 HydrophobicContact CD1-CE1 4.15Å; Y78-F80 VanDerWaalsContact O-CD2 3.24Å; Y78-F80 WeakPolarHBondContact O-CD2 3.26Å; Y78-F80 WeakPolarHBondContact O-CE2 3.09Å; Y78-F80 PolarHBondContact O-N 3.16Å; F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.23Å; F80-L83 HydrophobicContact CD1-CD2 3.92Å; F80-L83 HydrophobicContact CE1-CD2 4.5Å; F80-L83 CarbonylContact O-C 3.6Å; F80-L83 PolarHBondContact O-N 3.33Å; F80-I84 HydrophobicContact CB-CD1 4.25Å; F80-I84 HydrophobicContact CB-CG1 4.38Å; F80-I84 WeakPolarHBondContact O-CG1 3.04Å; F80-I84 PolarHBondContact O-N 3.34Å; F80-F144 HydrophobicContact CE1-CE1 4.4Å
81T72.4Confident64.3Low68 Ų6884.5 Ų84.542%0.41743%0.429SS..Hα-helixtrans-52.8-46.7-176.9-65.20000112.6N79 I84 K85N79-T81 VanDerWaalsContact C-N 3.34Å; N79-T81 WeakPolarHBondContact OD1-CB 3.36Å; N79-T81 PolarHBondContact OD1-N 2.91Å; N79-T81 PolarHBondContact OD1-OG1 3.19Å; T81-I84 PolarHBondContact O-N 2.86Å; T81-K85 WeakPolarHBondContact O-CG 2.86Å; T81-K85 PolarHBondContact O-N 3.4Å
82E70.6Confident66.1Low130 Ų13082.2 Ų82.261%0.60742%0.418SS*.Hα-helixtrans-66.7-38.2178.7-71.4-60.5124.900112F80 K85 C86F80-E82 VanDerWaalsContact C-N 3.32Å; F80-E82 PolarHBondContact O-N 3.23Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 IonicContact OE1-NZ 3.54Å; E82-C86 WeakPolarHBondContact O-CB 3.29Å; E82-C86 PolarHBondContact O-N 3.08Å
83L68.5Low67.7Low56 Ų5687.6 Ų87.629%0.29344%0.436SS..Hα-helixtrans-67-39.5176.3-173.165.6000111.7M61 I65 F80 S87 F144M61-L83 HydrophobicContact CE-CD1 3.67Å; M61-L83 HydrophobicContact CE-CD2 3.86Å; M61-L83 HydrophobicContact CE-CG 3.72Å; I65-L83 HydrophobicContact CD1-CD2 3.75Å; I65-L83 HydrophobicContact CD1-CG 4.19Å; F80-L83 HydrophobicContact CD1-CD2 3.92Å; F80-L83 HydrophobicContact CE1-CD2 4.5Å; F80-L83 CarbonylContact O-C 3.6Å; F80-L83 PolarHBondContact O-N 3.33Å; L83-S87 VanDerWaalsContact O-CB 3.32Å; L83-S87 WeakPolarHBondContact O-CB 3.32Å; L83-S87 PolarHBondContact O-N 3.04Å; L83-S87 PolarHBondContact O-OG 2.91Å; L83-F144 HydrophobicContact CD2-CE1 4.2Å; L83-F144 HydrophobicContact CD2-CZ 4.08Å
84I72Confident69Low32 Ų3284.8 Ų84.816%0.16441%0.41CS..Hα-helixtrans-64.4-49.4175.6-68.7167.6000109.5I62 I65 Q66 F80 T81 C86 S87 E88I62-I84 HydrophobicContact CG2-CG2 4.44Å; I65-I84 HydrophobicContact CB-CG1 4.49Å; I65-I84 HydrophobicContact CG2-CD1 3.83Å; I65-I84 HydrophobicContact CG2-CG1 3.85Å; Q66-I84 HydrophobicContact CG-CD1 4.33Å; F80-I84 HydrophobicContact CB-CD1 4.25Å; F80-I84 HydrophobicContact CB-CG1 4.38Å; F80-I84 WeakPolarHBondContact O-CG1 3.04Å; F80-I84 PolarHBondContact O-N 3.34Å; T81-I84 PolarHBondContact O-N 2.86Å; I84-C86 PolarHBondContact O-N 3.43Å; I84-S87 CarbonylContact O-C 3.59Å; I84-S87 WeakPolarHBondContact O-CB 3.49Å; I84-S87 PolarHBondContact O-N 2.89Å; I84-S87 VanDerWaalsContact O-N 3.1Å; I84-E88 HydrophobicContact CG2-CG 4.34Å; I84-E88 WeakPolarHBondContact O-CG 3.34Å; I84-E88 PolarHBondContact O-N 3.44Å
85K75.6Confident70.6Confident104 Ų10483.2 Ų83.245%0.45240%0.4SS..Hα-helixtrans-55.6-49.9176.2-80.7-179-179.5172.50111.7T81 E82 S87 E88 E89T81-K85 WeakPolarHBondContact O-CG 2.86Å; T81-K85 PolarHBondContact O-N 3.4Å; E82-K85 PolarHBondContact O-N 2.98Å; E82-K85 IonicContact OE1-NZ 3.54Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.08Å; K85-E88 PolarHBondContact O-N 3.27Å; K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 2.91Å
86C74.8Confident72Confident59 Ų5987.8 Ų87.840%0.39942%0.421SS..Hα-helixtrans-57.3-45.1176.5179.70000111.1E82 I84 E88 E89 Q90E82-C86 WeakPolarHBondContact O-CB 3.29Å; E82-C86 PolarHBondContact O-N 3.08Å; I84-C86 PolarHBondContact O-N 3.43Å; C86-E88 PolarHBondContact O-N 2.85Å; C86-E89 PolarHBondContact O-N 3.36Å; C86-Q90 WeakPolarHBondContact O-CG 3.35Å; C86-Q90 PolarHBondContact O-N 3.45Å
87S74Confident73.3Confident1 Ų187.4 Ų87.41%0.00741%0.413CS..Hα-helixtrans-64.1-39.1178.5-58.60000112.6M61 L83 I84 K85 Q90 K91M61-S87 WeakPolarHBondContact CE-OG 3.18Å; L83-S87 VanDerWaalsContact O-CB 3.32Å; L83-S87 WeakPolarHBondContact O-CB 3.32Å; L83-S87 PolarHBondContact O-N 3.04Å; L83-S87 PolarHBondContact O-OG 2.91Å; I84-S87 CarbonylContact O-C 3.59Å; I84-S87 WeakPolarHBondContact O-CB 3.49Å; I84-S87 PolarHBondContact O-N 2.89Å; I84-S87 VanDerWaalsContact O-N 3.1Å; K85-S87 VanDerWaalsContact C-N 3.3Å; K85-S87 PolarHBondContact O-N 3.08Å; S87-Q90 PolarHBondContact O-N 3.46Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 2.76Å
88E78.7Confident74.2Confident80 Ų8080.5 Ų80.537%0.37438%0.378SS..Hα-helixtrans-65.7-41.3175.5-76-178.117100111.8I62 I84 K85 C86 K91 K92I62-E88 HydrophobicContact CD1-CB 4.43Å; I62-E88 HydrophobicContact CD1-CG 3.67Å; I62-E88 HydrophobicContact CG1-CG 4.43Å; I84-E88 HydrophobicContact CG2-CG 4.34Å; I84-E88 WeakPolarHBondContact O-CG 3.34Å; I84-E88 PolarHBondContact O-N 3.44Å; K85-E88 PolarHBondContact O-N 3.27Å; C86-E88 PolarHBondContact O-N 2.85Å; E88-K91 PolarHBondContact O-N 2.74Å; E88-K92 WeakPolarHBondContact O-CG 3.31Å; E88-K92 PolarHBondContact O-N 3.19Å
89E79.8Confident75.2Confident107 Ų10779.1 Ų79.150%0.538%0.378SS..Hα-helixtrans-62.1-45.5174.6-73.4178.9-177.600111.6K85 C86 K92 R93K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 2.91Å; C86-E89 PolarHBondContact O-N 3.36Å; E89-K92 PolarHBondContact O-N 3.01Å; E89-R93 WeakPolarHBondContact O-CG 3.29Å; E89-R93 PolarHBondContact O-N 3.4Å
90Q76.9Confident75.5Confident53 Ų5377.5 Ų77.525%0.24838%0.376CS..Hα-helixtrans-63.4-44.5176.1-64.5-52.6-39.100111.4F58 C86 S87 K92 R93 Y94F58-Q90 HydrophobicContact CD1-CB 4.07Å; F58-Q90 HydrophobicContact CD2-CB 3.91Å; F58-Q90 HydrophobicContact CE1-CB 3.85Å; F58-Q90 HydrophobicContact CE1-CG 4.12Å; F58-Q90 HydrophobicContact CE2-CB 3.74Å; F58-Q90 HydrophobicContact CE2-CG 4.45Å; F58-Q90 HydrophobicContact CG-CB 4.09Å; F58-Q90 HydrophobicContact CZ-CB 3.68Å; F58-Q90 HydrophobicContact CZ-CG 3.96Å; C86-Q90 WeakPolarHBondContact O-CG 3.35Å; C86-Q90 PolarHBondContact O-N 3.45Å; S87-Q90 PolarHBondContact O-N 3.46Å; Q90-K92 VanDerWaalsContact C-N 3.32Å; Q90-K92 PolarHBondContact O-N 2.99Å; Q90-R93 PolarHBondContact O-N 2.85Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.41Å; Q90-Y94 PolarHBondContact O-N 3.3Å
91K80.5Confident75.3Confident50 Ų5080.9 Ų80.922%0.21739%0.388CS..Hα-helixtrans-54.3-48.3174.8177.4-177.8167.9-1780111.3F58 N59 I62 S87 E88 Y94 Q95F58-K91 HydrophobicContact CB-CB 3.94Å; N59-K91 HydrophobicContact CB-CD 4.36Å; N59-K91 PolarHBondContact OD1-NZ 2.67Å; I62-K91 HydrophobicContact CD1-CD 4.28Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 2.76Å; E88-K91 PolarHBondContact O-N 2.74Å; K91-Y94 PolarHBondContact O-N 3.38Å; K91-Q95 WeakPolarHBondContact O-CG 3.2Å; K91-Q95 PolarHBondContact O-N 2.84Å
92K82.9Confident74.8Confident130 Ų13082.6 Ų82.657%0.56540%0.395SS*.Hα-helixtrans-62.4-43.2178.6-75.1179.6-177.7175.80112.2E88 E89 Q90 Y94 Q95 M96E88-K92 WeakPolarHBondContact O-CG 3.31Å; E88-K92 PolarHBondContact O-N 3.19Å; E89-K92 PolarHBondContact O-N 3.01Å; Q90-K92 VanDerWaalsContact C-N 3.32Å; Q90-K92 PolarHBondContact O-N 2.99Å; K92-Y94 VanDerWaalsContact C-N 3.31Å; K92-Y94 PolarHBondContact O-N 3.1Å; K92-Q95 PolarHBondContact O-N 3.01Å; K92-M96 WeakPolarHBondContact O-CG 3.49Å; K92-M96 PolarHBondContact O-N 2.86Å
93R81Confident74.2Confident136 Ų13677 Ų7751%0.51337%0.372SS..Hα-helixtrans-57-46.9176.7-73.5175.6-174.5-1513111.4E89 Q90 M96 Q97E89-R93 WeakPolarHBondContact O-CG 3.29Å; E89-R93 PolarHBondContact O-N 3.4Å; Q90-R93 PolarHBondContact O-N 2.85Å; R93-M96 PolarHBondContact O-N 3.44Å; R93-Q97 WeakPolarHBondContact O-CG 3.49Å; R93-Q97 PolarHBondContact O-N 3.38Å
94Y77.6Confident73.7Confident56 Ų5678.1 Ų78.122%0.2238%0.384CS..Hα-helixtrans-67.2-39.8177.7-79.5-57.6000113S51 F58 Q90 K91 K92 M96 Q97 A98S51-Y94 VanDerWaalsContact CA-CD1 3.44Å; S51-Y94 WeakPolarHBondContact CB-O 3.24Å; S51-Y94 WeakPolarHBondContact O-CB 3.33Å; F58-Y94 HydrophobicContact CD2-CD2 4.01Å; F58-Y94 HydrophobicContact CD2-CE2 4.07Å; F58-Y94 HydrophobicContact CE2-CD2 4.05Å; F58-Y94 AromaticContact CE2-CE2 3.63Å; F58-Y94 HydrophobicContact CE2-CE2 3.63Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.41Å; Q90-Y94 PolarHBondContact O-N 3.3Å; K91-Y94 PolarHBondContact O-N 3.38Å; K92-Y94 VanDerWaalsContact C-N 3.31Å; K92-Y94 PolarHBondContact O-N 3.1Å; Y94-M96 PolarHBondContact O-N 3.29Å; Y94-Q97 PolarHBondContact O-N 3.35Å; Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 3.09Å
95Q81.1Confident73.2Confident76 Ų7679 Ų7936%0.35540%0.397SS..Hα-helixtrans-60.4-47174.8-74.9176.7-43.200111.8A55 K91 K92 Q97 A98 E99A55-Q95 HydrophobicContact CB-CG 3.88Å; K91-Q95 WeakPolarHBondContact O-CG 3.2Å; K91-Q95 PolarHBondContact O-N 2.84Å; K92-Q95 PolarHBondContact O-N 3.01Å; Q95-Q97 VanDerWaalsContact C-N 3.32Å; Q95-Q97 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.39Å; Q95-E99 WeakPolarHBondContact O-CB 3.37Å; Q95-E99 WeakPolarHBondContact O-CG 3.48Å; Q95-E99 PolarHBondContact O-N 2.85Å
96M80.5Confident72.8Confident116 Ų11674.4 Ų74.457%0.57138%0.378SS*.Hα-helixtrans-61.2-40.2176.8-69.8-175.3-6400112.2K92 R93 Y94 E99 S100K92-M96 WeakPolarHBondContact O-CG 3.49Å; K92-M96 PolarHBondContact O-N 2.86Å; R93-M96 PolarHBondContact O-N 3.44Å; Y94-M96 PolarHBondContact O-N 3.29Å; M96-E99 PolarHBondContact O-N 3.39Å; M96-S100 VanDerWaalsContact O-CB 3.26Å; M96-S100 WeakPolarHBondContact O-CB 3.35Å; M96-S100 PolarHBondContact O-N 3.08Å; M96-S100 PolarHBondContact O-OG 3.01Å; M96-S100 VanDerWaalsContact O-OG 3.09Å
97Q75.4Confident72.3Confident95 Ų9573.5 Ų73.544%0.44437%0.366SS..Hα-helixtrans-64.1-42.8176.5-75.2176.10.200111.8S51 R93 Y94 Q95 S100 R101S51-Q97 WeakPolarHBondContact OG-CB 3.24Å; S51-Q97 PolarHBondContact OG-OE1 3.37Å; R93-Q97 WeakPolarHBondContact O-CG 3.49Å; R93-Q97 PolarHBondContact O-N 3.38Å; Y94-Q97 PolarHBondContact O-N 3.35Å; Q95-Q97 VanDerWaalsContact C-N 3.32Å; Q95-Q97 PolarHBondContact O-N 3.05Å; Q97-S100 PolarHBondContact O-OG 2.9Å; Q97-R101 PolarHBondContact O-N 3.24Å
98A70.1Confident71.8Confident17 Ų1778.5 Ų78.514%0.1440%0.396CS..Hα-helixtrans-64.4-44.8176.400000112.3Y94 Q95 R101 N102Y94-A98 WeakPolarHBondContact O-CB 3.45Å; Y94-A98 PolarHBondContact O-N 3.09Å; Q95-A98 PolarHBondContact O-N 3.39Å; A98-R101 CarbonylContact O-C 3.59Å; A98-R101 PolarHBondContact O-N 3.33Å; A98-N102 PolarHBondContact O-N 2.97Å
99E73.3Confident71.1Confident147 Ų14782.1 Ų82.169%0.68742%0.418SS*.Hα-helixtrans-66.6-44.8179.8-73.2172.3-171.300112.3Q95 M96 R101 N102Q95-E99 WeakPolarHBondContact O-CB 3.37Å; Q95-E99 WeakPolarHBondContact O-CG 3.48Å; Q95-E99 PolarHBondContact O-N 2.85Å; M96-E99 PolarHBondContact O-N 3.39Å; E99-R101 PolarHBondContact O-N 3.46Å; E99-R101 VanDerWaalsContact O-N 3.1Å; E99-N102 PolarHBondContact O-N 3.41Å
100S69.6Low70.6Confident86 Ų8677.8 Ų77.860%0.60140%0.399SS*.Hα-helixtrans-62.5-18.6178.569.60000113.5M96 Q97M96-S100 VanDerWaalsContact O-CB 3.26Å; M96-S100 WeakPolarHBondContact O-CB 3.35Å; M96-S100 PolarHBondContact O-N 3.08Å; M96-S100 PolarHBondContact O-OG 3.01Å; M96-S100 VanDerWaalsContact O-OG 3.09Å; Q97-S100 PolarHBondContact O-OG 2.9Å
101R66.1Low70.2Confident99 Ų9977.1 Ų77.137%0.37440%0.399SS..THydrogen-bonded Turntrans-125.339.5-176.4-58.6-155.1-179.7-137.86.8112.4F48 Q97 A98 E99 G103F48-R101 WeakPolarHBondContact CD2-O 3.32Å; Q97-R101 PolarHBondContact O-N 3.24Å; A98-R101 CarbonylContact O-C 3.59Å; A98-R101 PolarHBondContact O-N 3.33Å; E99-R101 PolarHBondContact O-N 3.46Å; E99-R101 VanDerWaalsContact O-N 3.1Å; R101-G103 PolarHBondContact O-N 2.84Å
102N62Low69.8Low104 Ų10479.6 Ų79.656%0.55642%0.42SS*.  trans-34.7133.2170.5179.77.6000110A98 E99 S104 A105A98-N102 PolarHBondContact O-N 2.97Å; E99-N102 PolarHBondContact O-N 3.41Å; N102-S104 PolarHBondContact O-N 2.68Å; N102-A105 VanDerWaalsContact O-CB 3.3Å; N102-A105 WeakPolarHBondContact O-CB 3.36Å; N102-A105 PolarHBondContact O-N 3.38Å
103G57.2Low69.2Low13 Ų1379 Ų7913%0.13442%0.419CS..G310 helixtrans-50.6-30.1-162.800000115.2R45 R101 Y107R45-G103 PolarHBondContact NH1-O 2.8Å; R45-G103 VanDerWaalsContact NH1-O 3.08Å; R101-G103 PolarHBondContact O-N 2.84Å; G103-Y107 WeakPolarHBondContact O-CD2 3.14Å; G103-Y107 WeakPolarHBondContact O-CE2 3.43Å
104S57.9Low68.8Low79 Ų7973.4 Ų73.455%0.55240%0.398SS*.G310 helixtrans-68.3-30174.438.40000115N102 C106 Y107N102-S104 PolarHBondContact O-N 2.68Å; S104-C106 PolarHBondContact O-N 2.74Å; S104-Y107 PolarHBondContact O-N 2.91Å; S104-Y107 VanDerWaalsContact O-N 3.15Å
105A62.6Low68.5Low52 Ų5273.6 Ų73.643%0.4340%0.402SS..G310 helixtrans-67.6-21.7178.900000113.1N102 Y107 V108N102-A105 VanDerWaalsContact O-CB 3.3Å; N102-A105 WeakPolarHBondContact O-CB 3.36Å; N102-A105 PolarHBondContact O-N 3.38Å; A105-Y107 PolarHBondContact O-N 3.32Å; A105-V108 WeakPolarHBondContact O-CG2 3.26Å
106C66.3Low68.2Low7 Ų776.3 Ų76.35%0.04742%0.415CS..G310 helixtrans-74.3-11.2175-62.10000113.3C44 R45 S104C44-C106 VanDerWaalsContact C-SG 3.59Å; C44-C106 HydrophobicContact CB-CB 3.77Å; C44-C106 WeakPolarHBondContact CB-SG 3.33Å; C44-C106 VanDerWaalsContact SG-CA 3.52Å; C44-C106 WeakPolarHBondContact SG-CB 3.48Å; C44-C106 CovalentContact SG-SG 2.05Å; C44-C106 PolarHBondContact SG-SG 3.03Å; R45-C106 HydrophobicContact CG-CB 4.37Å; S104-C106 PolarHBondContact O-N 2.74Å
107Y64.4Low68Low40 Ų4073.5 Ų73.516%0.15740%0.401CS..G310 helixtrans-102.36.4-174.2-65.3-77.3000114.5G103 S104 A105 N109 L110 I118 D122G103-Y107 WeakPolarHBondContact O-CD2 3.14Å; G103-Y107 WeakPolarHBondContact O-CE2 3.43Å; S104-Y107 PolarHBondContact O-N 2.91Å; S104-Y107 VanDerWaalsContact O-N 3.15Å; A105-Y107 PolarHBondContact O-N 3.32Å; Y107-N109 PolarHBondContact O-N 3.44Å; Y107-N109 VanDerWaalsContact O-N 3.17Å; Y107-L110 HydrophobicContact CD1-CD1 3.93Å; Y107-L110 PolarHBondContact O-N 3.2Å; Y107-L110 VanDerWaalsContact O-N 3.11Å; Y107-I118 HydrophobicContact CD1-CD1 4.35Å; Y107-I118 HydrophobicContact CD1-CG2 4.43Å; Y107-I118 HydrophobicContact CE1-CB 3.73Å; Y107-I118 HydrophobicContact CE1-CD1 4.14Å; Y107-I118 HydrophobicContact CE1-CG2 3.35Å; Y107-I118 WeakPolarHBondContact OH-CG2 3.47Å; Y107-D122 PolarHBondContact OH-OD1 3.28Å; Y107-D122 PolarHBondContact OH-OD2 3Å
108V63.7Low67.9Low105 Ų10569 Ų6964%0.63638%0.38SS*.THydrogen-bonded Turntrans-61.6123.4-176.6-1770000109.5A105A105-V108 WeakPolarHBondContact O-CG2 3.26Å
109N65Low68.3Low156 Ų15673.6 Ų73.683%0.83440%0.398SS*.THydrogen-bonded Turntrans72.520.2-177.2-50.9-42.2000116.7Y107Y107-N109 PolarHBondContact O-N 3.44Å; Y107-N109 VanDerWaalsContact O-N 3.17Å
110L68Low68.5Low17 Ų1773.5 Ų73.59%0.08940%0.396CS..  trans-87.4126.2169.5-96.5151.6000111.5V36 V41 Y107 I118V36-L110 HydrophobicContact CG1-CD2 3.91Å; V36-L110 HydrophobicContact CG1-CG 4.42Å; V41-L110 HydrophobicContact CB-CD1 4.26Å; V41-L110 HydrophobicContact CG1-CD1 3.77Å; V41-L110 HydrophobicContact CG2-CD1 3.55Å; V41-L110 HydrophobicContact CG2-CG 4.42Å; Y107-L110 HydrophobicContact CD1-CD1 3.93Å; Y107-L110 PolarHBondContact O-N 3.2Å; Y107-L110 VanDerWaalsContact O-N 3.11Å; L110-I118 HydrophobicContact CD1-CD1 3.34Å; L110-I118 HydrophobicContact CD2-CD1 3.55Å; L110-I118 HydrophobicContact CG-CD1 4.05Å
111P68.4Low69.1Low38 Ų3869.5 Ų69.525%0.24737%0.367CS..  trans-58.5142.3173.5-24.432000111.8Q113 Y114P111-Q113 VanDerWaalsContact CB-CD 3.43Å; P111-Q113 HydrophobicContact CB-CG 4.4Å; P111-Q113 PolarHBondContact O-N 2.93Å; P111-Q113 VanDerWaalsContact O-N 3.08Å; P111-Y114 HydrophobicContact CB-CD2 3.66Å; P111-Y114 HydrophobicContact CB-CE2 3.82Å; P111-Y114 HydrophobicContact CG-CD2 3.8Å; P111-Y114 HydrophobicContact CG-CE2 3.83Å; P111-Y114 PolarHBondContact O-N 3.36Å
112P73.3Confident69.9Low103 Ų10365.8 Ų65.867%0.66936%0.355SS*.Hα-helixtrans-53.4-34.6-175.7-27.734.4000114.3Y114 I115P112-Y114 PolarHBondContact O-N 3.41Å; P112-Y114 VanDerWaalsContact O-N 3.08Å; P112-I115 HydrophobicContact CB-CD1 4.45Å; P112-I115 WeakPolarHBondContact O-CB 3.37Å; P112-I115 PolarHBondContact O-N 2.99Å; P112-I115 VanDerWaalsContact O-N 3.11Å
113Q69.9Low71Confident117 Ų11762.8 Ų62.855%0.54735%0.349SS..Hα-helixtrans-62.2-17.3-179.967.5-93.827.300114.1P111P111-Q113 VanDerWaalsContact CB-CD 3.43Å; P111-Q113 HydrophobicContact CB-CG 4.4Å; P111-Q113 PolarHBondContact O-N 2.93Å; P111-Q113 VanDerWaalsContact O-N 3.08Å
114Y72.1Confident72.3Confident18 Ų1867.1 Ų67.17%0.07136%0.361CS..Hα-helixtrans-104.7-7.9179.7-52.9-62.2000113.4L31 H34 P111 P112 E116 E117 I118L31-Y114 HydrophobicContact CD2-CD1 3.14Å; L31-Y114 HydrophobicContact CD2-CD2 3.54Å; L31-Y114 HydrophobicContact CD2-CE1 3.44Å; L31-Y114 VanDerWaalsContact CD2-CE1 3.44Å; L31-Y114 HydrophobicContact CD2-CE2 3.81Å; L31-Y114 HydrophobicContact CD2-CG 3.2Å; L31-Y114 HydrophobicContact CG-CD1 4.25Å; H34-Y114 PolarHBondContact CD2-OH 3.21Å; H34-Y114 PolarHBondContact CE1-OH 3.31Å; H34-Y114 VanDerWaalsContact CE1-OH 3.29Å; H34-Y114 AromaticContact CG-CZ 3.95Å; H34-Y114 PolarHBondContact ND1-OH 3.02Å; H34-Y114 PolarHBondContact NE2-OH 3.35Å; H34-Y114 VanDerWaalsContact NE2-OH 3.1Å; P111-Y114 HydrophobicContact CB-CD2 3.66Å; P111-Y114 HydrophobicContact CB-CE2 3.82Å; P111-Y114 HydrophobicContact CG-CD2 3.8Å; P111-Y114 HydrophobicContact CG-CE2 3.83Å; P111-Y114 PolarHBondContact O-N 3.36Å; P112-Y114 PolarHBondContact O-N 3.41Å; P112-Y114 VanDerWaalsContact O-N 3.08Å; Y114-E116 PolarHBondContact O-N 3.5Å; Y114-E117 PolarHBondContact O-N 2.94Å; Y114-I118 WeakPolarHBondContact O-CD1 3.4Å; Y114-I118 VanDerWaalsContact O-CG1 3.24Å; Y114-I118 WeakPolarHBondContact O-CG1 3.37Å; Y114-I118 PolarHBondContact O-N 3.37Å
115I71.1Confident73.6Confident60 Ų6063.5 Ų63.531%0.30834%0.335SS..Hα-helixtrans-59.9-40.1175.1-64.8178.6000109.6P112 I118 Q119P112-I115 HydrophobicContact CB-CD1 4.45Å; P112-I115 WeakPolarHBondContact O-CB 3.37Å; P112-I115 PolarHBondContact O-N 2.99Å; P112-I115 VanDerWaalsContact O-N 3.11Å; I115-I118 PolarHBondContact O-N 3.26Å; I115-Q119 HydrophobicContact CG2-CG 4.17Å; I115-Q119 WeakPolarHBondContact O-CB 3.47Å; I115-Q119 VanDerWaalsContact O-CG 3.24Å; I115-Q119 WeakPolarHBondContact O-CG 3.27Å; I115-Q119 PolarHBondContact O-N 3.29Å
116E75.4Confident74.6Confident133 Ų13362.8 Ų62.862%0.62133%0.327SS*.Hα-helixtrans-67.6-39.2-176.8-145.6179.4-157.500112.8Y114 K120Y114-E116 PolarHBondContact O-N 3.5Å; E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.42Å
117E75.8Confident75.6Confident58 Ų5866 Ų6627%0.27135%0.346SS..Hα-helixtrans-66.3-40.6175.3-67.6-173.6159.500111.5I27 Y114 K120 L121I27-E117 HydrophobicContact CD1-CB 4.49Å; I27-E117 HydrophobicContact CG2-CB 4.44Å; Y114-E117 PolarHBondContact O-N 2.94Å; E117-K120 PolarHBondContact O-N 3.47Å; E117-L121 PolarHBondContact O-N 2.91Å
118I74.2Confident76.8Confident0 Ų065.1 Ų65.10%034%0.344CS..Hα-helixtrans-73.8-33.9179.8-56.7165.9000111.2F38 V41 Y107 L110 Y114 I115 K120 L121 D122F38-I118 HydrophobicContact CE2-CD1 4.06Å; F38-I118 HydrophobicContact CE2-CG1 3.88Å; V41-I118 HydrophobicContact CG1-CD1 4.17Å; V41-I118 HydrophobicContact CG1-CG2 4.35Å; Y107-I118 HydrophobicContact CD1-CD1 4.35Å; Y107-I118 HydrophobicContact CD1-CG2 4.43Å; Y107-I118 HydrophobicContact CE1-CB 3.73Å; Y107-I118 HydrophobicContact CE1-CD1 4.14Å; Y107-I118 HydrophobicContact CE1-CG2 3.35Å; Y107-I118 WeakPolarHBondContact OH-CG2 3.47Å; L110-I118 HydrophobicContact CD1-CD1 3.34Å; L110-I118 HydrophobicContact CD2-CD1 3.55Å; L110-I118 HydrophobicContact CG-CD1 4.05Å; Y114-I118 WeakPolarHBondContact O-CD1 3.4Å; Y114-I118 VanDerWaalsContact O-CG1 3.24Å; Y114-I118 WeakPolarHBondContact O-CG1 3.37Å; Y114-I118 PolarHBondContact O-N 3.37Å; I115-I118 PolarHBondContact O-N 3.26Å; I118-K120 VanDerWaalsContact C-N 3.29Å; I118-K120 PolarHBondContact O-N 2.91Å; I118-L121 CarbonylContact O-C 3.42Å; I118-L121 WeakPolarHBondContact O-CA 3.34Å; I118-L121 WeakPolarHBondContact O-CB 3.37Å; I118-L121 PolarHBondContact O-N 3.38Å; I118-L121 VanDerWaalsContact O-N 3.07Å; I118-D122 PolarHBondContact O-N 3Å
119Q76.9Confident77.8Confident113 Ų11360.9 Ų60.953%0.52832%0.316SS..Hα-helixtrans-62-35.9172.6-79.3176.2-9.400112.5I115 L121 D122 G123I115-Q119 HydrophobicContact CG2-CG 4.17Å; I115-Q119 WeakPolarHBondContact O-CB 3.47Å; I115-Q119 VanDerWaalsContact O-CG 3.24Å; I115-Q119 WeakPolarHBondContact O-CG 3.27Å; I115-Q119 PolarHBondContact O-N 3.29Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-D122 WeakPolarHBondContact O-CB 3.44Å; Q119-D122 PolarHBondContact O-N 2.94Å; Q119-G123 PolarHBondContact O-N 3.34Å
120K79.3Confident78.9Confident146 Ų14656.1 Ų56.164%0.63529%0.29SS*.Hα-helixtrans-63.5-41.7171.7-72173.4-175.4169.30111.1E116 E117 I118 D122 G123 R124E116-K120 WeakPolarHBondContact O-CG 3.44Å; E116-K120 PolarHBondContact O-N 3.42Å; E117-K120 PolarHBondContact O-N 3.47Å; I118-K120 VanDerWaalsContact C-N 3.29Å; I118-K120 PolarHBondContact O-N 2.91Å; K120-D122 VanDerWaalsContact C-N 3.32Å; K120-D122 PolarHBondContact O-N 2.9Å; K120-G123 PolarHBondContact O-N 3.49Å; K120-R124 PolarHBondContact O-N 3.22Å
121L82.3Confident79.7Confident2 Ų256.3 Ų56.31%0.0129%0.291CS..Hα-helixtrans-65-36.6176.6-157.180.6000112.1E23 I24 I27 I42 E117 I118 Q119 G123 R124 F125E23-L121 HydrophobicContact CB-CD1 4.12Å; I24-L121 HydrophobicContact CG1-CD1 4.04Å; I24-L121 HydrophobicContact CG1-CD2 3.8Å; I24-L121 HydrophobicContact CG1-CG 4.5Å; I27-L121 HydrophobicContact CD1-CB 4.42Å; I27-L121 HydrophobicContact CD1-CD1 3.99Å; I42-L121 HydrophobicContact CD1-CD2 3.2Å; E117-L121 PolarHBondContact O-N 2.91Å; I118-L121 CarbonylContact O-C 3.42Å; I118-L121 WeakPolarHBondContact O-CA 3.34Å; I118-L121 WeakPolarHBondContact O-CB 3.37Å; I118-L121 PolarHBondContact O-N 3.38Å; I118-L121 VanDerWaalsContact O-N 3.07Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; L121-G123 VanDerWaalsContact C-N 3.35Å; L121-G123 PolarHBondContact O-N 3.3Å; L121-R124 PolarHBondContact O-N 3.09Å; L121-F125 HydrophobicContact CD2-CD2 4.18Å; L121-F125 HydrophobicContact CD2-CE2 3.45Å; L121-F125 VanDerWaalsContact CD2-CE2 3.45Å; L121-F125 HydrophobicContact CD2-CZ 4.01Å; L121-F125 HydrophobicContact CG-CD2 4.17Å; L121-F125 HydrophobicContact CG-CE2 3.87Å; L121-F125 HydrophobicContact CG-CZ 4.47Å; L121-F125 PolarHBondContact O-N 3.04Å
122D81.9Confident80.3Confident20 Ų2058.3 Ų58.311%0.10730%0.296CS..Hα-helixtrans-58.7-44.1174.5-86.3-4.3000112.9R45 Y49 Y107 I118 Q119 K120 R124 F125 S126R45-D122 IonicContact CZ-OD1 3.06Å; R45-D122 IonicContact CZ-OD2 2.68Å; R45-D122 IonicContact NE-OD1 3.39Å; R45-D122 PolarHBondContact NE-OD1 3.33Å; R45-D122 IonicContact NE-OD2 3.63Å; R45-D122 PolarHBondContact NE-OD2 3.32Å; R45-D122 IonicContact NH1-OD2 3.44Å; R45-D122 IonicContact NH2-OD1 3.71Å; R45-D122 PolarHBondContact NH2-OD1 3.29Å; R45-D122 IonicContact NH2-OD2 2.85Å; R45-D122 PolarHBondContact NH2-OD2 3.33Å; Y49-D122 PolarHBondContact OH-O 3.46Å; Y49-D122 VanDerWaalsContact OH-O 3.12Å; Y107-D122 PolarHBondContact OH-OD1 3.28Å; Y107-D122 PolarHBondContact OH-OD2 3Å; I118-D122 PolarHBondContact O-N 3Å; Q119-D122 WeakPolarHBondContact O-CB 3.44Å; Q119-D122 PolarHBondContact O-N 2.94Å; K120-D122 VanDerWaalsContact C-N 3.32Å; K120-D122 PolarHBondContact O-N 2.9Å; D122-R124 PolarHBondContact O-N 3.39Å; D122-F125 PolarHBondContact O-N 3.4Å; D122-S126 WeakPolarHBondContact O-CB 3.32Å; D122-S126 PolarHBondContact O-N 2.83Å
123G84.3Confident80.8Confident42 Ų4254.8 Ų54.843%0.43327%0.27SS..Hα-helixtrans-55-41.9173.600000111.7Q119 K120 L121 V127Q119-G123 PolarHBondContact O-N 3.34Å; K120-G123 PolarHBondContact O-N 3.49Å; L121-G123 VanDerWaalsContact C-N 3.35Å; L121-G123 PolarHBondContact O-N 3.3Å; G123-V127 WeakPolarHBondContact O-CG2 3.36Å; G123-V127 PolarHBondContact O-N 3.06Å
124R85.2Confident81.3Confident104 Ų10453.6 Ų53.639%0.39226%0.264SS..Hα-helixtrans-74.7-40.6-179.3-65.5-173.6175.8-142.28.1113.4I20 E23 K120 L121 D122 S126 V127 F128I20-R124 HydrophobicContact CD1-CB 4.34Å; I20-R124 HydrophobicContact CG1-CB 4.22Å; E23-R124 IonicContact OE1-CZ 2.99Å; E23-R124 IonicContact OE1-NE 3.08Å; E23-R124 PolarHBondContact OE1-NE 3.07Å; E23-R124 IonicContact OE1-NH1 2.77Å; E23-R124 PolarHBondContact OE1-NH1 2.96Å; E23-R124 IonicContact OE1-NH2 3.76Å; E23-R124 PolarHBondContact OE1-NH2 2.97Å; E23-R124 WeakPolarHBondContact OE2-CD 3.42Å; E23-R124 IonicContact OE2-CZ 2.67Å; E23-R124 IonicContact OE2-NE 2.98Å; E23-R124 PolarHBondContact OE2-NE 3.41Å; E23-R124 IonicContact OE2-NH1 2.75Å; E23-R124 PolarHBondContact OE2-NH1 3.24Å; E23-R124 IonicContact OE2-NH2 2.68Å; K120-R124 PolarHBondContact O-N 3.22Å; L121-R124 PolarHBondContact O-N 3.09Å; D122-R124 PolarHBondContact O-N 3.39Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.77Å; R124-V127 PolarHBondContact O-N 2.9Å; R124-F128 WeakPolarHBondContact O-CB 3.46Å; R124-F128 PolarHBondContact O-N 2.96Å
125F84.6Confident81.5Confident2 Ų254.6 Ų54.61%0.00927%0.268CS..Hα-helixtrans-59.7-44.5172.7-79.9-48.3000111.3I20 I24 I42 R45 R46 Y49 L121 D122 V127 F128 Y129I20-F125 HydrophobicContact CG2-CD1 4.16Å; I20-F125 HydrophobicContact CG2-CE1 3.66Å; I20-F125 HydrophobicContact CG2-CZ 4.23Å; I24-F125 HydrophobicContact CD1-CE1 4.29Å; I24-F125 HydrophobicContact CD1-CZ 3.8Å; I42-F125 HydrophobicContact CG2-CZ 4.29Å; R45-F125 HydrophobicContact CB-CD2 3.98Å; R45-F125 HydrophobicContact CB-CE2 3.87Å; R46-F125 HydrophobicContact CG-CD1 4.31Å; R46-F125 HydrophobicContact CG-CE1 3.48Å; R46-F125 VanDerWaalsContact CG-CE1 3.48Å; R46-F125 HydrophobicContact CG-CE2 4.44Å; R46-F125 HydrophobicContact CG-CZ 3.55Å; Y49-F125 HydrophobicContact CD2-CB 3.33Å; Y49-F125 HydrophobicContact CD2-CD2 4.46Å; Y49-F125 HydrophobicContact CD2-CG 4.14Å; Y49-F125 HydrophobicContact CE2-CB 3.46Å; Y49-F125 VanDerWaalsContact CE2-CB 3.46Å; Y49-F125 HydrophobicContact CE2-CD2 4.44Å; Y49-F125 HydrophobicContact CE2-CG 4.37Å; Y49-F125 HydrophobicContact CG-CB 4.09Å; L121-F125 HydrophobicContact CD2-CD2 4.18Å; L121-F125 HydrophobicContact CD2-CE2 3.45Å; L121-F125 VanDerWaalsContact CD2-CE2 3.45Å; L121-F125 HydrophobicContact CD2-CZ 4.01Å; L121-F125 HydrophobicContact CG-CD2 4.17Å; L121-F125 HydrophobicContact CG-CE2 3.87Å; L121-F125 HydrophobicContact CG-CZ 4.47Å; L121-F125 PolarHBondContact O-N 3.04Å; D122-F125 PolarHBondContact O-N 3.4Å; F125-V127 PolarHBondContact O-N 3.46Å; F125-F128 PolarHBondContact O-N 2.72Å; F125-Y129 HydrophobicContact CB-CD2 4.44Å; F125-Y129 HydrophobicContact CD1-CD2 4.43Å; F125-Y129 AromaticContact CD1-CE2 4Å; F125-Y129 HydrophobicContact CD1-CE2 4Å; F125-Y129 WeakPolarHBondContact O-CD2 3.33Å; F125-Y129 PolarHBondContact O-N 3.39Å
126S84.9Confident81.8Confident37 Ų3754.1 Ų54.126%0.25927%0.27SS..Hα-helixtrans-54.1-52.5176.2-1780000111.6D122 R124 F128 I130D122-S126 WeakPolarHBondContact O-CB 3.32Å; D122-S126 PolarHBondContact O-N 2.83Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.77Å; S126-F128 PolarHBondContact O-N 3.45Å; S126-I130 WeakPolarHBondContact O-CB 3.42Å; S126-I130 WeakPolarHBondContact O-CD1 3.11Å; S126-I130 WeakPolarHBondContact O-CG1 3.32Å; S126-I130 PolarHBondContact O-N 3.3Å
127V87.5Confident81.7Confident74 Ų7451.9 Ų51.945%0.44826%0.258SS..Hα-helixtrans-61.1-45.6178.7177.10000111.6M16 G123 R124 F125 I130 L131M16-V127 HydrophobicContact CE-CB 4.19Å; M16-V127 HydrophobicContact CE-CG1 3.91Å; M16-V127 HydrophobicContact SD-CG1 4.19Å; G123-V127 WeakPolarHBondContact O-CG2 3.36Å; G123-V127 PolarHBondContact O-N 3.06Å; R124-V127 PolarHBondContact O-N 2.9Å; F125-V127 PolarHBondContact O-N 3.46Å; V127-I130 PolarHBondContact O-N 3.46Å; V127-L131 HydrophobicContact CG1-CD1 4.01Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 3.35Å
128F88.6Confident81.5Confident23 Ų2350.1 Ų50.110%0.10125%0.249CC..Hα-helixtrans-60.5-48.5-178.1-179-116.5000112.7V13 M16 I20 R124 F125 S126 L131 K132V13-F128 HydrophobicContact CG1-CE2 3.9Å; V13-F128 HydrophobicContact CG1-CZ 4.31Å; M16-F128 HydrophobicContact CB-CD2 3.75Å; M16-F128 HydrophobicContact CB-CE2 4.18Å; M16-F128 HydrophobicContact CE-CB 3.95Å; M16-F128 HydrophobicContact CE-CD2 4.5Å; I20-F128 HydrophobicContact CD1-CB 3.54Å; I20-F128 HydrophobicContact CD1-CD1 4.25Å; I20-F128 HydrophobicContact CD1-CD2 4.15Å; I20-F128 HydrophobicContact CD1-CG 3.74Å; R124-F128 WeakPolarHBondContact O-CB 3.46Å; R124-F128 PolarHBondContact O-N 2.96Å; F125-F128 PolarHBondContact O-N 2.72Å; S126-F128 PolarHBondContact O-N 3.45Å; F128-L131 PolarHBondContact O-N 3.37Å; F128-K132 HydrophobicContact CD1-CD 4.34Å; F128-K132 HydrophobicContact CE1-CD 3.77Å; F128-K132 HydrophobicContact CE1-CG 4.47Å; F128-K132 HydrophobicContact CZ-CD 3.97Å; F128-K132 HydrophobicContact CZ-CG 4.37Å; F128-K132 PolarHBondContact O-N 2.89Å
129Y85.8Confident81.3Confident16 Ų1653.8 Ų53.86%0.06327%0.269CS..Hα-helixtrans-73.1-28.9-178.5-79.7-81.5000112.4R46 Y49 E50 F125 K132 H133R46-Y129 PolarHBondContact O-OH 2.9Å; Y49-Y129 HydrophobicContact CG-CD2 4.32Å; E50-Y129 VanDerWaalsContact CA-CE1 3.47Å; E50-Y129 HydrophobicContact CB-CD1 4.04Å; E50-Y129 HydrophobicContact CB-CE1 3.39Å; E50-Y129 HydrophobicContact CG-CE1 3.82Å; E50-Y129 PolarHBondContact OE2-OH 3.45Å; F125-Y129 HydrophobicContact CB-CD2 4.44Å; F125-Y129 HydrophobicContact CD1-CD2 4.43Å; F125-Y129 AromaticContact CD1-CE2 4Å; F125-Y129 HydrophobicContact CD1-CE2 4Å; F125-Y129 WeakPolarHBondContact O-CD2 3.33Å; F125-Y129 PolarHBondContact O-N 3.39Å; Y129-K132 HydrophobicContact CD1-CD 4.25Å; Y129-K132 HydrophobicContact CE1-CD 4.4Å; Y129-K132 PolarHBondContact O-N 3.42Å; Y129-H133 WeakPolarHBondContact O-CB 3.35Å; Y129-H133 PolarHBondContact O-N 2.92Å
130I86.6Confident80.8Confident55 Ų5549.6 Ų49.628%0.28225%0.249SC..Hα-helixtrans-62.1-43.9168.8-72.7166.3000110.8S126 V127 H133 K134S126-I130 WeakPolarHBondContact O-CB 3.42Å; S126-I130 WeakPolarHBondContact O-CD1 3.11Å; S126-I130 WeakPolarHBondContact O-CG1 3.32Å; S126-I130 PolarHBondContact O-N 3.3Å; V127-I130 PolarHBondContact O-N 3.46Å; I130-H133 WeakPolarHBondContact O-CB 3.42Å; I130-H133 PolarHBondContact O-N 3.2Å; I130-K134 HydrophobicContact CG2-CD 4.42Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 2.81Å
131L84.8Confident80.1Confident22 Ų2245.7 Ų45.712%0.11523%0.234CC..Hα-helixtrans-65.3-44.1177.4-71.5167.1000111.3Y9 T12 V13 M16 V127 F128 H133 K134 F135Y9-L131 HydrophobicContact CD1-CD2 3.71Å; Y9-L131 HydrophobicContact CE1-CD2 3.63Å; T12-L131 HydrophobicContact CG2-CD1 3.8Å; V13-L131 HydrophobicContact CG2-CB 3.97Å; M16-L131 HydrophobicContact SD-CD1 3.44Å; M16-L131 WeakPolarHBondContact SD-CD1 2.85Å; V127-L131 HydrophobicContact CG1-CD1 4.01Å; V127-L131 WeakPolarHBondContact O-CG 3.31Å; V127-L131 PolarHBondContact O-N 3.35Å; F128-L131 PolarHBondContact O-N 3.37Å; L131-H133 VanDerWaalsContact C-N 3.31Å; L131-H133 PolarHBondContact O-N 3.1Å; L131-K134 PolarHBondContact O-N 2.97Å; L131-F135 WeakPolarHBondContact O-CB 3.13Å; L131-F135 PolarHBondContact O-N 3.3Å
132K82.7Confident79.2Confident80 Ų8047.9 Ų47.935%0.34825%0.246SC..Hα-helixtrans-56.1-44.8172-81.6-173.4132-176.30111.9V13 F128 Y129 F135 S136V13-K132 HydrophobicContact CG1-CG 4.07Å; V13-K132 HydrophobicContact CG2-CG 4.41Å; F128-K132 HydrophobicContact CD1-CD 4.34Å; F128-K132 HydrophobicContact CE1-CD 3.77Å; F128-K132 HydrophobicContact CE1-CG 4.47Å; F128-K132 HydrophobicContact CZ-CD 3.97Å; F128-K132 HydrophobicContact CZ-CG 4.37Å; F128-K132 PolarHBondContact O-N 2.89Å; Y129-K132 HydrophobicContact CD1-CD 4.25Å; Y129-K132 HydrophobicContact CE1-CD 4.4Å; Y129-K132 PolarHBondContact O-N 3.42Å; K132-F135 PolarHBondContact O-N 3.39Å; K132-S136 WeakPolarHBondContact O-CB 3.22Å; K132-S136 PolarHBondContact O-N 2.97Å; K132-S136 PolarHBondContact O-OG 2.92Å; K132-S136 VanDerWaalsContact O-OG 3.08Å
133H82Confident78.1Confident28 Ų2856 Ų5613%0.1328%0.275CS..Hα-helixtrans-59.5-47.1175.7166.563.5000112.2Q53 T57 Y129 I130 L131 F135 S136 K137Q53-H133 HydrophobicContact CB-CB 4.12Å; T57-H133 PolarHBondContact OG1-ND1 3.34Å; Y129-H133 WeakPolarHBondContact O-CB 3.35Å; Y129-H133 PolarHBondContact O-N 2.92Å; I130-H133 WeakPolarHBondContact O-CB 3.42Å; I130-H133 PolarHBondContact O-N 3.2Å; L131-H133 VanDerWaalsContact C-N 3.31Å; L131-H133 PolarHBondContact O-N 3.1Å; H133-F135 VanDerWaalsContact C-N 3.33Å; H133-F135 PolarHBondContact O-N 3.22Å; H133-S136 PolarHBondContact O-N 3.21Å; H133-K137 VanDerWaalsContact O-CB 3.31Å; H133-K137 WeakPolarHBondContact O-CB 3.27Å; H133-K137 PolarHBondContact O-N 3.26Å
134K80.7Confident76.7Confident93 Ų9356.6 Ų56.640%0.40427%0.266SS..Hα-helixtrans-59.9-44.4177.8-73177.9179.9-178.20111.7Y9 I130 L131 Y138Y9-K134 HydrophobicContact CE1-CB 4.41Å; Y9-K134 HydrophobicContact CE1-CD 4.04Å; I130-K134 HydrophobicContact CG2-CD 4.42Å; I130-K134 WeakPolarHBondContact O-CG 3.39Å; I130-K134 PolarHBondContact O-N 2.81Å; L131-K134 PolarHBondContact O-N 2.97Å; K134-Y138 PolarHBondContact O-N 2.95Å
135F77.7Confident75Confident39 Ų3953 Ų5317%0.17126%0.261CS..Hα-helixtrans-60.9-50.9175.8-178.2-103.9000111.7L6 D10 L131 K132 H133 K137 Y138 L139L6-F135 HydrophobicContact CD1-CD2 3.46Å; L6-F135 VanDerWaalsContact CD1-CD2 3.46Å; L6-F135 HydrophobicContact CD1-CE2 3.35Å; L6-F135 HydrophobicContact CD1-CZ 4.45Å; L6-F135 HydrophobicContact CG-CE2 4.09Å; D10-F135 HydrophobicContact CB-CD2 4.42Å; D10-F135 HydrophobicContact CB-CE2 3.75Å; D10-F135 HydrophobicContact CB-CZ 4.26Å; L131-F135 WeakPolarHBondContact O-CB 3.13Å; L131-F135 PolarHBondContact O-N 3.3Å; K132-F135 PolarHBondContact O-N 3.39Å; H133-F135 VanDerWaalsContact C-N 3.33Å; H133-F135 PolarHBondContact O-N 3.22Å; F135-K137 PolarHBondContact O-N 2.65Å; F135-Y138 PolarHBondContact O-N 2.75Å; F135-Y138 VanDerWaalsContact O-N 3.08Å; F135-L139 HydrophobicContact CD1-CD1 3.83Å; F135-L139 HydrophobicContact CD1-CG 4.43Å; F135-L139 HydrophobicContact CE1-CD1 3.26Å; F135-L139 HydrophobicContact CE1-CG 4.03Å; F135-L139 HydrophobicContact CZ-CD1 3.69Å; F135-L139 HydrophobicContact CZ-CD2 4.45Å; F135-L139 HydrophobicContact CZ-CG 4.08Å; F135-L139 PolarHBondContact O-N 3.43Å
136S75.7Confident72.9Confident50 Ų5059.1 Ų59.135%0.3528%0.284SS..Hα-helixtrans-59.8-43.7177.7-670000112.8K132 H133 Y138 L139 F140K132-S136 WeakPolarHBondContact O-CB 3.22Å; K132-S136 PolarHBondContact O-N 2.97Å; K132-S136 PolarHBondContact O-OG 2.92Å; K132-S136 VanDerWaalsContact O-OG 3.08Å; H133-S136 PolarHBondContact O-N 3.21Å; S136-Y138 VanDerWaalsContact C-N 3.27Å; S136-Y138 PolarHBondContact O-N 3.38Å; S136-L139 PolarHBondContact O-N 3.32Å; S136-F140 WeakPolarHBondContact O-CB 3.46Å; S136-F140 PolarHBondContact O-N 2.93Å
137K74.1Confident70.7Confident85 Ų8564.1 Ų64.137%0.3730%0.303SS..Hα-helixtrans-56.6-43.6173.9174.5178.6177.71720110.9V60 H133 F135 F140 L141V60-K137 HydrophobicContact CG1-CD 3.85Å; V60-K137 HydrophobicContact CG1-CG 3.92Å; H133-K137 VanDerWaalsContact O-CB 3.31Å; H133-K137 WeakPolarHBondContact O-CB 3.27Å; H133-K137 PolarHBondContact O-N 3.26Å; F135-K137 PolarHBondContact O-N 2.65Å; K137-F140 WeakPolarHBondContact O-CB 3.49Å; K137-F140 PolarHBondContact O-N 2.88Å; K137-L141 HydrophobicContact CG-CD1 4.19Å; K137-L141 WeakPolarHBondContact O-CG 3.33Å; K137-L141 PolarHBondContact O-N 3.32Å
138Y70.8Confident68.4Low21 Ų2162.1 Ų62.18%0.08229%0.292CS..Hα-helixtrans-71.2-43.5-178.8-171.7-99.9000112.7M1 L6 K134 F135 S136 F140 L141 I142M1-Y138 HydrophobicContact CB-CD2 4.13Å; M1-Y138 HydrophobicContact CB-CE2 3.43Å; M1-Y138 VanDerWaalsContact CB-CE2 3.43Å; M1-Y138 HydrophobicContact CE-CD1 4.32Å; M1-Y138 HydrophobicContact CE-CD2 3.84Å; M1-Y138 HydrophobicContact CE-CE1 4.38Å; M1-Y138 HydrophobicContact CE-CE2 4.09Å; M1-Y138 HydrophobicContact CE-CG 3.95Å; M1-Y138 HydrophobicContact CG-CE2 4.26Å; M1-Y138 PolarHBondContact O-OH 3.23Å; M1-Y138 HydrophobicContact SD-CD2 3.64Å; M1-Y138 HydrophobicContact SD-CE2 3.97Å; M1-Y138 HydrophobicContact SD-CG 4.26Å; L6-Y138 HydrophobicContact CB-CD1 4.04Å; L6-Y138 HydrophobicContact CB-CE1 3.66Å; L6-Y138 HydrophobicContact CD1-CD1 3.33Å; L6-Y138 HydrophobicContact CD1-CE1 3.87Å; L6-Y138 HydrophobicContact CD1-CG 4.24Å; L6-Y138 HydrophobicContact CD2-CD1 3.87Å; L6-Y138 HydrophobicContact CD2-CE1 3.74Å; L6-Y138 HydrophobicContact CG-CD1 3.92Å; L6-Y138 HydrophobicContact CG-CE1 3.92Å; K134-Y138 PolarHBondContact O-N 2.95Å; F135-Y138 PolarHBondContact O-N 2.75Å; F135-Y138 VanDerWaalsContact O-N 3.08Å; S136-Y138 VanDerWaalsContact C-N 3.27Å; S136-Y138 PolarHBondContact O-N 3.38Å; Y138-F140 PolarHBondContact O-N 2.81Å; Y138-L141 CarbonylContact O-C 3.55Å; Y138-L141 PolarHBondContact O-N 2.75Å; Y138-L141 VanDerWaalsContact O-N 3.08Å; Y138-I142 HydrophobicContact CD1-CD1 3.68Å; Y138-I142 HydrophobicContact CD1-CG1 4.06Å; Y138-I142 HydrophobicContact CE1-CD1 3.08Å; Y138-I142 HydrophobicContact CE1-CG1 3.7Å; Y138-I142 HydrophobicContact CE2-CG1 4.47Å; Y138-I142 PolarHBondContact O-N 3.37Å
139L70Confident65.8Low77 Ų7766.5 Ų66.540%0.40332%0.315SS..Hα-helixtrans-55.3-42.8172.6-80.9177.8000111.5F135 S136 I142 R143F135-L139 HydrophobicContact CD1-CD1 3.83Å; F135-L139 HydrophobicContact CD1-CG 4.43Å; F135-L139 HydrophobicContact CE1-CD1 3.26Å; F135-L139 HydrophobicContact CE1-CG 4.03Å; F135-L139 HydrophobicContact CZ-CD1 3.69Å; F135-L139 HydrophobicContact CZ-CD2 4.45Å; F135-L139 HydrophobicContact CZ-CG 4.08Å; F135-L139 PolarHBondContact O-N 3.43Å; S136-L139 PolarHBondContact O-N 3.32Å; L139-I142 PolarHBondContact O-N 2.81Å; L139-R143 VanDerWaalsContact O-CB 3.29Å; L139-R143 WeakPolarHBondContact O-CB 3.41Å; L139-R143 PolarHBondContact O-N 3Å
140F67.9Low63.3Low26 Ų2674.7 Ų74.711%0.11435%0.346CS..Hα-helixtrans-59.8-48.9174.2179.2-94.4000111.6M61 T64 I65 S136 K137 Y138 I142 R143 F144M61-F140 HydrophobicContact CB-CE1 4.31Å; M61-F140 HydrophobicContact CB-CE2 4.23Å; M61-F140 HydrophobicContact CB-CZ 4.13Å; M61-F140 HydrophobicContact CE-CD2 4.35Å; M61-F140 HydrophobicContact CE-CE2 3.56Å; M61-F140 HydrophobicContact CE-CZ 4.3Å; M61-F140 HydrophobicContact CG-CD2 4.12Å; M61-F140 HydrophobicContact CG-CE1 4.17Å; M61-F140 HydrophobicContact CG-CE2 3.45Å; M61-F140 VanDerWaalsContact CG-CE2 3.45Å; M61-F140 HydrophobicContact CG-CZ 3.5Å; M61-F140 VanDerWaalsContact CG-CZ 3.5Å; M61-F140 HydrophobicContact SD-CD2 3.86Å; M61-F140 HydrophobicContact SD-CE2 3.47Å; M61-F140 WeakPolarHBondContact SD-CE2 3.43Å; M61-F140 HydrophobicContact SD-CZ 4.18Å; T64-F140 HydrophobicContact CG2-CE1 3.92Å; I65-F140 HydrophobicContact CD1-CZ 4.13Å; I65-F140 HydrophobicContact CG1-CZ 4.07Å; S136-F140 WeakPolarHBondContact O-CB 3.46Å; S136-F140 PolarHBondContact O-N 2.93Å; K137-F140 WeakPolarHBondContact O-CB 3.49Å; K137-F140 PolarHBondContact O-N 2.88Å; Y138-F140 PolarHBondContact O-N 2.81Å; F140-I142 VanDerWaalsContact C-N 3.33Å; F140-I142 PolarHBondContact O-N 3.04Å; F140-R143 PolarHBondContact O-N 2.62Å; F140-F144 HydrophobicContact CD1-CD2 4.42Å; F140-F144 AromaticContact CD2-CD2 3.46Å; F140-F144 HydrophobicContact CD2-CD2 3.46Å; F140-F144 VanDerWaalsContact CD2-CD2 3.46Å; F140-F144 AromaticContact CD2-CE2 3.49Å; F140-F144 HydrophobicContact CD2-CE2 3.49Å; F140-F144 VanDerWaalsContact CD2-CE2 3.49Å; F140-F144 HydrophobicContact CE1-CD2 4.2Å; F140-F144 AromaticContact CE2-CD2 3.16Å; F140-F144 HydrophobicContact CE2-CD2 3.16Å; F140-F144 AromaticContact CE2-CE2 3.09Å; F140-F144 HydrophobicContact CE2-CE2 3.09Å; F140-F144 HydrophobicContact CE2-CG 4.07Å; F140-F144 AromaticContact CE2-CZ 3.94Å; F140-F144 HydrophobicContact CE2-CZ 3.94Å; F140-F144 HydrophobicContact CG-CD2 4.07Å; F140-F144 AromaticContact CZ-CD2 3.56Å; F140-F144 HydrophobicContact CZ-CD2 3.56Å; F140-F144 AromaticContact CZ-CE2 3.88Å; F140-F144 HydrophobicContact CZ-CE2 3.88Å; F140-F144 HydrophobicContact CZ-CG 4.04Å; F140-F144 WeakPolarHBondContact O-CD2 3.33Å; F140-F144 PolarHBondContact O-N 3Å
141L64.3Low61Low63 Ų6376.8 Ų76.833%0.3336%0.36SS..Hα-helixtrans-63.5-34.5178.5-71.1171.3000113.3T64 K137 Y138 G145T64-L141 HydrophobicContact CG2-CD2 3.84Å; K137-L141 HydrophobicContact CG-CD1 4.19Å; K137-L141 WeakPolarHBondContact O-CG 3.33Å; K137-L141 PolarHBondContact O-N 3.32Å; Y138-L141 CarbonylContact O-C 3.55Å; Y138-L141 PolarHBondContact O-N 2.75Å; Y138-L141 VanDerWaalsContact O-N 3.08Å; L141-G145 WeakPolarHBondContact O-CA 3.44Å; L141-G145 PolarHBondContact O-N 2.98Å
142I63Low58.7Low49 Ų4980.5 Ų80.525%0.25138%0.384SS..Hα-helixtrans-67.5-50.8172.2-75.2-174.7000110.2L6 Y138 L139 F140 F144 G145 W146L6-I142 HydrophobicContact CD2-CD1 4.05Å; Y138-I142 HydrophobicContact CD1-CD1 3.68Å; Y138-I142 HydrophobicContact CD1-CG1 4.06Å; Y138-I142 HydrophobicContact CE1-CD1 3.08Å; Y138-I142 HydrophobicContact CE1-CG1 3.7Å; Y138-I142 HydrophobicContact CE2-CG1 4.47Å; Y138-I142 PolarHBondContact O-N 3.37Å; L139-I142 PolarHBondContact O-N 2.81Å; F140-I142 VanDerWaalsContact C-N 3.33Å; F140-I142 PolarHBondContact O-N 3.04Å; I142-F144 VanDerWaalsContact C-N 3.26Å; I142-F144 PolarHBondContact O-N 3.45Å; I142-G145 PolarHBondContact O-N 3.27Å; I142-W146 HydrophobicContact CG2-CB 4.21Å; I142-W146 WeakPolarHBondContact O-CB 3.48Å; I142-W146 PolarHBondContact O-N 2.91Å
143R58.7Low56.2Low190 Ų19086.2 Ų86.272%0.71741%0.409SS*.Hα-helixtrans-61.5-37.3-173.8-164.6173.9-170.7171.22.3112L139 F140L139-R143 VanDerWaalsContact O-CB 3.29Å; L139-R143 WeakPolarHBondContact O-CB 3.41Å; L139-R143 PolarHBondContact O-N 3Å; F140-R143 PolarHBondContact O-N 2.62Å
144F55Low53.8Low54 Ų5489.2 Ų89.224%0.23744%0.439CS..Hα-helixtrans-94.3-31.8178.6-74.4-83.5000113.3F70 F80 L83 F140 I142 V148F70-F144 HydrophobicContact CE1-CB 4.23Å; F70-F144 WeakPolarHBondContact CE1-O 3.24Å; F70-F144 HydrophobicContact CZ-CB 3.97Å; F70-F144 HydrophobicContact CZ-CD1 4.04Å; F70-F144 HydrophobicContact CZ-CG 4.42Å; F80-F144 HydrophobicContact CE1-CE1 4.4Å; L83-F144 HydrophobicContact CD2-CE1 4.2Å; L83-F144 HydrophobicContact CD2-CZ 4.08Å; F140-F144 HydrophobicContact CD1-CD2 4.42Å; F140-F144 AromaticContact CD2-CD2 3.46Å; F140-F144 HydrophobicContact CD2-CD2 3.46Å; F140-F144 VanDerWaalsContact CD2-CD2 3.46Å; F140-F144 AromaticContact CD2-CE2 3.49Å; F140-F144 HydrophobicContact CD2-CE2 3.49Å; F140-F144 VanDerWaalsContact CD2-CE2 3.49Å; F140-F144 HydrophobicContact CE1-CD2 4.2Å; F140-F144 AromaticContact CE2-CD2 3.16Å; F140-F144 HydrophobicContact CE2-CD2 3.16Å; F140-F144 AromaticContact CE2-CE2 3.09Å; F140-F144 HydrophobicContact CE2-CE2 3.09Å; F140-F144 HydrophobicContact CE2-CG 4.07Å; F140-F144 AromaticContact CE2-CZ 3.94Å; F140-F144 HydrophobicContact CE2-CZ 3.94Å; F140-F144 HydrophobicContact CG-CD2 4.07Å; F140-F144 AromaticContact CZ-CD2 3.56Å; F140-F144 HydrophobicContact CZ-CD2 3.56Å; F140-F144 AromaticContact CZ-CE2 3.88Å; F140-F144 HydrophobicContact CZ-CE2 3.88Å; F140-F144 HydrophobicContact CZ-CG 4.04Å; F140-F144 WeakPolarHBondContact O-CD2 3.33Å; F140-F144 PolarHBondContact O-N 3Å; I142-F144 VanDerWaalsContact C-N 3.26Å; I142-F144 PolarHBondContact O-N 3.45Å; F144-V148 WeakPolarHBondContact O-CG2 3.19Å
145G49Very low51.5Low29 Ų2992 Ų9230%0.29949%0.493SS..Hα-helixtrans-98-25-173.500000116.2L141 I142 I149L141-G145 WeakPolarHBondContact O-CA 3.44Å; L141-G145 PolarHBondContact O-N 2.98Å; I142-G145 PolarHBondContact O-N 3.27Å; G145-I149 VanDerWaalsContact O-CD1 3.26Å; G145-I149 WeakPolarHBondContact O-CD1 3.17Å; G145-I149 WeakPolarHBondContact O-CG1 3.33Å
146W40.7Very low50.2Low130 Ų13094.6 Ų94.649%0.49251%0.509SS..THydrogen-bonded Turntrans-102.4-33.5-173.1-92.246.4000114.9I142 V148 I149 R150I142-W146 HydrophobicContact CG2-CB 4.21Å; I142-W146 WeakPolarHBondContact O-CB 3.48Å; I142-W146 PolarHBondContact O-N 2.91Å; W146-V148 PolarHBondContact O-N 2.98Å; W146-I149 PolarHBondContact O-N 2.95Å; W146-I149 VanDerWaalsContact O-N 3.09Å; W146-R150 PolarHBondContact O-N 3.01Å
147E39.8Very low48.9Very low142 Ų14296.9 Ų96.966%0.66452%0.518SS*.Hα-helixtrans-62.8-35.7172.2-80.9-162.315600111.4I149 R150 V151E147-I149 PolarHBondContact O-N 2.8Å; E147-R150 PolarHBondContact O-N 3.25Å; E147-V151 WeakPolarHBondContact O-CG2 3.24Å; E147-V151 PolarHBondContact O-N 2.83Å
148V38.3Very low47.5Very low33 Ų3397.6 Ų97.620%0.253%0.526CS..Hα-helixtrans-67.3-24.5175.7-1760000112.4S72 V75 F144 W146S72-V148 WeakPolarHBondContact OG-CG1 3.18Å; V75-V148 HydrophobicContact CG2-CB 4.44Å; V75-V148 HydrophobicContact CG2-CG1 3.71Å; V75-V148 HydrophobicContact CG2-CG2 3.77Å; F144-V148 WeakPolarHBondContact O-CG2 3.19Å; W146-V148 PolarHBondContact O-N 2.98Å
149I35.2Very low46.1Very low115 Ų115102.1 Ų102.159%0.5955%0.552SS**Hα-helixtrans-87.1-32.3176.5-67.1173.2000111.6G145 W146 E147 V152G145-I149 VanDerWaalsContact O-CD1 3.26Å; G145-I149 WeakPolarHBondContact O-CD1 3.17Å; G145-I149 WeakPolarHBondContact O-CG1 3.33Å; W146-I149 PolarHBondContact O-N 2.95Å; W146-I149 VanDerWaalsContact O-N 3.09Å; E147-I149 PolarHBondContact O-N 2.8Å; I149-V152 PolarHBondContact O-N 3.01Å
150R33Very low44.6Very low188 Ų188103.7 Ų103.771%0.70956%0.561SS**Hα-helixtrans-71.7-27.9177.7-83.2-170.3-174.71672.2113.8W146 E147 V152 K153W146-R150 PolarHBondContact O-N 3.01Å; E147-R150 PolarHBondContact O-N 3.25Å; R150-V152 PolarHBondContact O-N 3.35Å; R150-K153 PolarHBondContact O-N 2.82Å
151V37.4Very low43.1Very low98 Ų98108.9 Ų108.959%0.59459%0.591SS**G310 helixtrans-71.3-11.9175.3179.20000112.5L74 E147L74-V151 HydrophobicContact CD1-CB 4.07Å; L74-V151 HydrophobicContact CD1-CG1 3.78Å; E147-V151 WeakPolarHBondContact O-CG2 3.24Å; E147-V151 PolarHBondContact O-N 2.83Å
152V37.4Very low41.6Very low101 Ų101112.1 Ų112.161%0.61261%0.61SS**G310 helixtrans-95.77.5-179.5-173.90000113L74 I149 R150L74-V152 HydrophobicContact CD1-CG2 3.98Å; I149-V152 PolarHBondContact O-N 3.01Å; R150-V152 PolarHBondContact O-N 3.35Å
153K29.8Very low39.9Very low199 Ų199117 Ų11787%0.86564%0.637SS**G310 helixtrans-121.914.9177.6-126.2-178.1-176.4-177.10115.6R150R150-K153 PolarHBondContact O-N 2.82Å
154A30.2Very low38.3Very low92 Ų92110.9 Ų110.976%0.7663%0.631SS**  trans-139.582.3171.100000108.7
155G34.2Very low36.8Very low150 Ų150116.1 Ų116.1100%1.54667%0.667SS**  trans171.10-179.100000110.4

Retrieved 155 of 155 residues in 435.4 ms (Link to these results)

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