A0A3Q0KRF7_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KRF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 98 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.8Very low47.5Very low238 Ų238152.3 Ų152.3100%1.17280%0.8SS**  01020-88153.2166.100108.5M3M1-M3 PolarHBondContact O-N 2.95Å
2K36.1Very low49.3Very low205 Ų205145.6 Ų145.689%0.89177%0.772SS**  trans-75.1109.5175.7-163.7165.7-175174.60106P4K2-P4 WeakPolarHBondContact O-CD 3.49Å
3M38.7Very low50.7Low176 Ų176135.6 Ų135.687%0.86773%0.725SS**  trans-77.4108.1165.2-68.1-175.9-178.600106.3M1 S5M1-M3 PolarHBondContact O-N 2.95Å; M3-S5 PolarHBondContact O-N 3.27Å
4P44.2Very low52.1Low126 Ų126133.1 Ų133.182%0.81871%0.711SS**  trans-70102.9170.129.1-31000107.9K2K2-P4 WeakPolarHBondContact O-CD 3.49Å
5S44.2Very low53.6Low107 Ų107128.4 Ų128.475%0.74869%0.692SS**  trans-56.6143.5157.3-178.60000109.7M3M3-S5 PolarHBondContact O-N 3.27Å
6N44Very low54.9Low139 Ų139124.5 Ų124.574%0.74366%0.664SS**SBendtrans80.179.3152.5-150.9-11.6000117.3
7K49.7Very low56Low184 Ų184118 Ų11880%0.863%0.631SS**  174.3109.2126.6-92171.7-166.9-171.40105.4S9K7-S9 PolarHBondContact O-N 3.06Å
8T51.6Low57.4Low125 Ų125115.6 Ų115.677%0.76762%0.621SS**  trans-66.160.2179.840.30000111.7W10T8-W10 PolarHBondContact O-N 2.86Å; T8-W10 VanDerWaalsContact O-N 3.09Å
9S55.6Low58.8Low100 Ų100112.1 Ų112.170%0.69960%0.604SS**  trans-79.874.7158.361.90000106.7K7 C11K7-S9 PolarHBondContact O-N 3.06Å; S9-C11 PolarHBondContact O-N 3.28Å; S9-C11 VanDerWaalsContact O-N 3.07Å
10W53.2Low59.9Low191 Ų191108.2 Ų108.272%0.72358%0.58SS**  trans-61.1115.2170.9-72.160.9000106.4T8 P12T8-W10 PolarHBondContact O-N 2.86Å; T8-W10 VanDerWaalsContact O-N 3.09Å; W10-P12 WeakPolarHBondContact O-CD 3.32Å; W10-P12 VanDerWaalsContact O-N 3.11Å
11C66Low61Low84 Ų84106.8 Ų106.857%0.56857%0.572SS**  trans-58.1119.2172.6-70.40000106.9S9 G13 L14 C15S9-C11 PolarHBondContact O-N 3.28Å; S9-C11 VanDerWaalsContact O-N 3.07Å; C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 VanDerWaalsContact O-N 3.11Å; C11-L14 HydrophobicContact CB-CB 4.3Å; C11-L14 WeakPolarHBondContact O-CB 3.39Å; C11-L14 PolarHBondContact O-N 3.04Å; C11-C15 PolarHBondContact O-N 3.22Å
12P69.9Low63.2Low72 Ų72100.5 Ų100.547%0.46854%0.543SS..Hα-helixtrans-56.4-35-174.619.1-30.8000111.4W10 L14 C15 W16W10-P12 WeakPolarHBondContact O-CD 3.32Å; W10-P12 VanDerWaalsContact O-N 3.11Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.33Å; P12-C15 PolarHBondContact O-N 3.4Å; P12-W16 PolarHBondContact O-N 3.16Å; P12-W16 VanDerWaalsContact O-N 3.11Å
13G67.7Low65.6Low16 Ų1693.4 Ų93.417%0.16551%0.514CS..Hα-helixtrans-61.3-33.2174.900000115C11 W16 S17C11-G13 PolarHBondContact O-N 3.19Å; C11-G13 VanDerWaalsContact O-N 3.11Å; G13-W16 PolarHBondContact O-N 3.23Å; G13-S17 PolarHBondContact O-N 3.06Å
14L70Confident67.7Low100 Ų10087.1 Ų87.152%0.52448%0.481SS..Hα-helixtrans-72.1-35.7176.9-174.368.8000111.3C11 P12 W16 S17 V18C11-L14 HydrophobicContact CB-CB 4.3Å; C11-L14 WeakPolarHBondContact O-CB 3.39Å; C11-L14 PolarHBondContact O-N 3.04Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.33Å; L14-W16 VanDerWaalsContact C-N 3.32Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.19Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.24Å
15C75.2Confident69.7Low63 Ų6387.4 Ų87.443%0.42647%0.469SS..Hα-helixtrans-64.6-42.8174.3-168.30000110.2C11 P12 S17 V18 V19C11-C15 PolarHBondContact O-N 3.22Å; P12-C15 PolarHBondContact O-N 3.4Å; C15-S17 PolarHBondContact O-N 3.45Å; C15-V18 PolarHBondContact O-N 3.11Å; C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 3.18Å; C15-V19 VanDerWaalsContact O-N 3.12Å
16W73.5Confident71.6Confident66 Ų6688.4 Ų88.425%0.2547%0.466CS..Hα-helixtrans-63.8-39.5176-68.8120.4000113.5P12 G13 L14 V18 V19 W20 P78 L79P12-W16 PolarHBondContact O-N 3.16Å; P12-W16 VanDerWaalsContact O-N 3.11Å; G13-W16 PolarHBondContact O-N 3.23Å; L14-W16 VanDerWaalsContact C-N 3.32Å; W16-V18 VanDerWaalsContact C-N 3.31Å; W16-V18 PolarHBondContact O-N 3.06Å; W16-V19 PolarHBondContact O-N 2.9Å; W16-W20 VanDerWaalsContact O-CD1 3.23Å; W16-W20 PolarHBondContact O-N 2.93Å; W16-P78 HydrophobicContact CD2-CB 4.35Å; W16-P78 HydrophobicContact CG-CB 4.3Å; W16-L79 HydrophobicContact CE3-CB 3.83Å; W16-L79 HydrophobicContact CE3-CD1 3.75Å; W16-L79 HydrophobicContact CE3-CG 3.86Å; W16-L79 HydrophobicContact CH2-CB 4.15Å; W16-L79 HydrophobicContact CZ3-CB 3.47Å; W16-L79 VanDerWaalsContact CZ3-CB 3.47Å; W16-L79 HydrophobicContact CZ3-CD1 3.52Å; W16-L79 HydrophobicContact CZ3-CG 3.83Å
17S73.9Confident73.6Confident14 Ų1482.2 Ų82.210%0.09843%0.434CS..Hα-helixtrans-65.2-34.7177.669.30000112.6G13 L14 C15 W20 L21G13-S17 PolarHBondContact O-N 3.06Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.19Å; C15-S17 PolarHBondContact O-N 3.45Å; S17-W20 PolarHBondContact O-N 3.41Å; S17-L21 PolarHBondContact O-N 3.41Å
18V81Confident75.2Confident75 Ų7580.5 Ų80.546%0.45542%0.422SS..Hα-helixtrans-65.4-42.5172.8175.20000111L14 C15 W16 L21 L22L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.24Å; C15-V18 PolarHBondContact O-N 3.11Å; W16-V18 VanDerWaalsContact C-N 3.31Å; W16-V18 PolarHBondContact O-N 3.06Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 3.23Å; V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.43Å
19V83.7Confident77Confident48 Ų4877.7 Ų77.729%0.29141%0.406SS..Hα-helixtrans-63.6-42.5176.9-179.10000111.1C15 W16 L21 L22 I23 L79C15-V19 WeakPolarHBondContact O-CG2 3.37Å; C15-V19 PolarHBondContact O-N 3.18Å; C15-V19 VanDerWaalsContact O-N 3.12Å; W16-V19 PolarHBondContact O-N 2.9Å; V19-L21 VanDerWaalsContact C-N 3.33Å; V19-L21 PolarHBondContact O-N 3.25Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 3.01Å; V19-I23 HydrophobicContact CG1-CD1 4.13Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 3.11Å; V19-L79 HydrophobicContact CB-CD1 4.2Å; V19-L79 HydrophobicContact CG1-CD1 3.38Å
20W80.2Confident78.4Confident35 Ų3578.4 Ų78.413%0.13340%0.4CS..Hα-helixtrans-62.9-37.8174.5-80.2115.3000113.1W16 S17 L22 I23 W24 P69 N72 A73 R77 L79W16-W20 VanDerWaalsContact O-CD1 3.23Å; W16-W20 PolarHBondContact O-N 2.93Å; S17-W20 PolarHBondContact O-N 3.41Å; W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.38Å; W20-I23 HydrophobicContact CE3-CB 4.42Å; W20-I23 HydrophobicContact CE3-CD1 4.11Å; W20-I23 HydrophobicContact CE3-CG2 4.35Å; W20-I23 HydrophobicContact CZ3-CD1 4.37Å; W20-I23 HydrophobicContact CZ3-CG2 4.43Å; W20-I23 PolarHBondContact O-N 3.19Å; W20-W24 WeakPolarHBondContact O-CB 3.35Å; W20-W24 PolarHBondContact O-N 2.83Å; W20-P69 HydrophobicContact CE3-CB 4.17Å; W20-N72 HydrophobicContact CD2-CB 3.53Å; W20-N72 VanDerWaalsContact CE2-CB 3.46Å; W20-N72 HydrophobicContact CE3-CB 3.82Å; W20-N72 HydrophobicContact CG-CB 4.03Å; W20-N72 HydrophobicContact CH2-CB 3.96Å; W20-N72 WeakPolarHBondContact CH2-ND2 3.48Å; W20-N72 HydrophobicContact CZ2-CB 3.67Å; W20-N72 HydrophobicContact CZ3-CB 4.03Å; W20-A73 HydrophobicContact CB-CB 3.67Å; W20-R77 VanDerWaalsContact CD1-O 3.32Å; W20-R77 PolarHBondContact NE1-O 2.88Å; W20-L79 HydrophobicContact CD2-CD2 4.13Å; W20-L79 HydrophobicContact CE3-CD2 4.39Å; W20-L79 HydrophobicContact CH2-CD2 3.62Å; W20-L79 HydrophobicContact CZ2-CD2 3.29Å; W20-L79 HydrophobicContact CZ2-CG 4.06Å; W20-L79 HydrophobicContact CZ3-CD2 4.16Å
21L82.9Confident79.9Confident78 Ų7869.9 Ų69.941%0.40837%0.37SS..Hα-helixtrans-61.5-41.5172.1-93.4166.6000112.2S17 V18 V19 W24 F25S17-L21 PolarHBondContact O-N 3.41Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 PolarHBondContact O-N 3.23Å; V19-L21 VanDerWaalsContact C-N 3.33Å; V19-L21 PolarHBondContact O-N 3.25Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.25Å; L21-F25 WeakPolarHBondContact O-CD2 3.43Å; L21-F25 PolarHBondContact O-N 2.95Å
22L86Confident80.9Confident106 Ų10671.9 Ų71.956%0.55537%0.37SS*.Hα-helixtrans-64.5-41.5175-68.6175.9000111.9V18 V19 W20 W24 F25 L26V18-L22 WeakPolarHBondContact O-CG 3.31Å; V18-L22 PolarHBondContact O-N 3.43Å; V19-L22 WeakPolarHBondContact O-CB 3.17Å; V19-L22 PolarHBondContact O-N 3.01Å; W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.38Å; L22-W24 VanDerWaalsContact C-N 3.31Å; L22-W24 PolarHBondContact O-N 3.35Å; L22-F25 PolarHBondContact O-N 3.49Å; L22-L26 PolarHBondContact O-N 3.28Å
23I85.8Confident81.9Confident57 Ų5772.3 Ų72.329%0.29237%0.371SS..Hα-helixtrans-61.7-42.4173.9-69.3168.4000110.3V19 W20 F25 L26 A27 P69 L79V19-I23 HydrophobicContact CG1-CD1 4.13Å; V19-I23 WeakPolarHBondContact O-CG1 3.36Å; V19-I23 PolarHBondContact O-N 3.11Å; W20-I23 HydrophobicContact CE3-CB 4.42Å; W20-I23 HydrophobicContact CE3-CD1 4.11Å; W20-I23 HydrophobicContact CE3-CG2 4.35Å; W20-I23 HydrophobicContact CZ3-CD1 4.37Å; W20-I23 HydrophobicContact CZ3-CG2 4.43Å; W20-I23 PolarHBondContact O-N 3.19Å; I23-F25 VanDerWaalsContact C-N 3.35Å; I23-F25 PolarHBondContact O-N 3.48Å; I23-L26 CarbonylContact O-C 3.54Å; I23-L26 WeakPolarHBondContact O-CB 3.35Å; I23-L26 PolarHBondContact O-N 2.98Å; I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 2.87Å; I23-P69 HydrophobicContact CG2-CB 4.3Å; I23-P69 HydrophobicContact CG2-CG 4.3Å; I23-L79 HydrophobicContact CD1-CD1 4.09Å; I23-L79 HydrophobicContact CD1-CD2 3.84Å
24W84.1Confident82.8Confident43 Ų4373.3 Ų73.316%0.16337%0.372CS..Hα-helixtrans-61.9-41.2177.1-179.575.9000112.3W20 L21 L22 L26 A27 W28 A66 P69 I70W20-W24 WeakPolarHBondContact O-CB 3.35Å; W20-W24 PolarHBondContact O-N 2.83Å; L21-W24 HydrophobicContact CD2-CE3 4.29Å; L21-W24 WeakPolarHBondContact O-CB 3.43Å; L21-W24 PolarHBondContact O-N 3.25Å; L22-W24 VanDerWaalsContact C-N 3.31Å; L22-W24 PolarHBondContact O-N 3.35Å; W24-L26 PolarHBondContact O-N 3.2Å; W24-A27 PolarHBondContact O-N 3.4Å; W24-W28 HydrophobicContact CD2-CE3 4.32Å; W24-W28 AromaticContact CE2-CE3 3.65Å; W24-W28 HydrophobicContact CE3-CE3 4.44Å; W24-W28 AromaticContact CH2-CE3 3.43Å; W24-W28 HydrophobicContact CH2-CE3 3.43Å; W24-W28 VanDerWaalsContact CH2-CE3 3.43Å; W24-W28 AromaticContact CH2-CZ3 3.24Å; W24-W28 HydrophobicContact CH2-CZ3 3.24Å; W24-W28 AromaticContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CH2 4.42Å; W24-W28 AromaticContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ3-CE3 4.02Å; W24-W28 HydrophobicContact CZ3-CZ3 4.21Å; W24-W28 WeakPolarHBondContact O-CB 3.3Å; W24-W28 PolarHBondContact O-N 3.23Å; W24-A66 PolarHBondContact NE1-O 2.97Å; W24-P69 HydrophobicContact CB-CB 3.67Å; W24-P69 HydrophobicContact CG-CB 4.26Å; W24-I70 HydrophobicContact CZ2-CD1 4.15Å
25F85.3Confident83.6Confident133 Ų13370.5 Ų70.558%0.58336%0.363SS*.Hα-helixtrans-60.8-29.3173.2-84.9-65.6000113.2L21 L22 I23 P29L21-F25 WeakPolarHBondContact O-CD2 3.43Å; L21-F25 PolarHBondContact O-N 2.95Å; L22-F25 PolarHBondContact O-N 3.49Å; I23-F25 VanDerWaalsContact C-N 3.35Å; I23-F25 PolarHBondContact O-N 3.48Å; F25-P29 WeakPolarHBondContact O-CD 3.37Å
26L85.2Confident84.3Confident128 Ų12871 Ų7167%0.6736%0.361SS*.Hα-helixtrans-85.1-34.2174.8-67.8170.3000112.9L22 I23 W24 P29L22-L26 PolarHBondContact O-N 3.28Å; I23-L26 CarbonylContact O-C 3.54Å; I23-L26 WeakPolarHBondContact O-CB 3.35Å; I23-L26 PolarHBondContact O-N 2.98Å; W24-L26 PolarHBondContact O-N 3.2Å; L26-P29 VanDerWaalsContact O-CD 3.28Å; L26-P29 WeakPolarHBondContact O-CD 3.45Å; L26-P29 VanDerWaalsContact O-CG 3.22Å; L26-P29 WeakPolarHBondContact O-CG 3.38Å
27A84Confident85Confident9 Ų970.7 Ų70.77%0.07437%0.366CS..Hα-helixtrans-76-30.8-179.800000111.9I23 W24 M30 A31 F65 P69I23-A27 WeakPolarHBondContact O-CB 3.48Å; I23-A27 PolarHBondContact O-N 2.87Å; W24-A27 PolarHBondContact O-N 3.4Å; A27-M30 WeakPolarHBondContact O-CB 3.41Å; A27-M30 PolarHBondContact O-N 3.25Å; A27-A31 PolarHBondContact O-N 3.34Å; A27-F65 HydrophobicContact CB-CB 4.43Å; A27-F65 HydrophobicContact CB-CD1 4.49Å; A27-F65 VanDerWaalsContact CB-O 3.25Å; A27-F65 WeakPolarHBondContact CB-O 3.45Å; A27-P69 HydrophobicContact CB-CG 4.07Å
28W84.2Confident85.6Confident147 Ų14771.8 Ų71.856%0.55737%0.37SS*.Hα-helixtrans-55.1-56.3175.5-172.4-46.4000112.7W24 M30 A31 F32W24-W28 HydrophobicContact CD2-CE3 4.32Å; W24-W28 AromaticContact CE2-CE3 3.65Å; W24-W28 HydrophobicContact CE3-CE3 4.44Å; W24-W28 AromaticContact CH2-CE3 3.43Å; W24-W28 HydrophobicContact CH2-CE3 3.43Å; W24-W28 VanDerWaalsContact CH2-CE3 3.43Å; W24-W28 AromaticContact CH2-CZ3 3.24Å; W24-W28 HydrophobicContact CH2-CZ3 3.24Å; W24-W28 AromaticContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CE3 3.21Å; W24-W28 HydrophobicContact CZ2-CH2 4.42Å; W24-W28 AromaticContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ2-CZ3 3.13Å; W24-W28 HydrophobicContact CZ3-CE3 4.02Å; W24-W28 HydrophobicContact CZ3-CZ3 4.21Å; W24-W28 WeakPolarHBondContact O-CB 3.3Å; W24-W28 PolarHBondContact O-N 3.23Å; W28-M30 PolarHBondContact O-N 3.46Å; W28-A31 WeakPolarHBondContact O-CB 3.37Å; W28-A31 PolarHBondContact O-N 2.95Å; W28-A31 VanDerWaalsContact O-N 3.07Å; W28-F32 PolarHBondContact O-N 3.02Å
29P88.7Confident86Confident67 Ų6772.7 Ų72.744%0.43538%0.375SS..Hα-helixtrans-61.4-31.7-179.623.1-33.7000112.1F25 L26 F32 V33F25-P29 WeakPolarHBondContact O-CD 3.37Å; L26-P29 VanDerWaalsContact O-CD 3.28Å; L26-P29 WeakPolarHBondContact O-CD 3.45Å; L26-P29 VanDerWaalsContact O-CG 3.22Å; L26-P29 WeakPolarHBondContact O-CG 3.38Å; P29-F32 WeakPolarHBondContact O-CB 3.29Å; P29-F32 PolarHBondContact O-N 3.43Å; P29-V33 WeakPolarHBondContact O-CG2 3.42Å; P29-V33 PolarHBondContact O-N 3.34Å
30M84.8Confident86.3Confident114 Ų11477.5 Ų77.556%0.56239%0.392SS*.Hα-helixtrans-64.2-45.6172.5-69.5-63.5-65.200111.8A27 W28 F32 V33 L34A27-M30 WeakPolarHBondContact O-CB 3.41Å; A27-M30 PolarHBondContact O-N 3.25Å; W28-M30 PolarHBondContact O-N 3.46Å; M30-F32 VanDerWaalsContact C-N 3.28Å; M30-F32 PolarHBondContact O-N 3.35Å; M30-V33 PolarHBondContact O-N 3.03Å; M30-L34 WeakPolarHBondContact O-CG 3.29Å; M30-L34 PolarHBondContact O-N 3.1Å
31A85.5Confident86.7Confident12 Ų1277.7 Ų77.710%0.09940%0.396CS..Hα-helixtrans-61.3-37.617500000111.9A27 W28 L34 A35 A66A27-A31 PolarHBondContact O-N 3.34Å; W28-A31 WeakPolarHBondContact O-CB 3.37Å; W28-A31 PolarHBondContact O-N 2.95Å; W28-A31 VanDerWaalsContact O-N 3.07Å; A31-L34 PolarHBondContact O-N 3.15Å; A31-A35 PolarHBondContact O-N 3.39Å; A31-A66 HydrophobicContact CB-CB 4.16Å
32F87.9Confident86.9Confident127 Ų12778.3 Ų78.356%0.55740%0.398SS*.Hα-helixtrans-63.3-42.8175.3-178.3-108.2000112.5W28 P29 M30 A35 I36W28-F32 PolarHBondContact O-N 3.02Å; P29-F32 WeakPolarHBondContact O-CB 3.29Å; P29-F32 PolarHBondContact O-N 3.43Å; M30-F32 VanDerWaalsContact C-N 3.28Å; M30-F32 PolarHBondContact O-N 3.35Å; F32-A35 PolarHBondContact O-N 3.1Å; F32-I36 HydrophobicContact CD1-CD1 3.88Å; F32-I36 HydrophobicContact CE1-CD1 3.44Å; F32-I36 VanDerWaalsContact CE1-CD1 3.44Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CD1 3.79Å; F32-I36 HydrophobicContact CZ-CG1 4.42Å; F32-I36 WeakPolarHBondContact O-CG1 3.38Å; F32-I36 PolarHBondContact O-N 3.46Å; F32-I36 VanDerWaalsContact O-N 3.1Å
33V89.3Confident87Confident80 Ų8076.9 Ų76.949%0.48540%0.396SS..Hα-helixtrans-63.5-42.7175.4173.10000111.1P29 M30 A35 I36 V37P29-V33 WeakPolarHBondContact O-CG2 3.42Å; P29-V33 PolarHBondContact O-N 3.34Å; M30-V33 PolarHBondContact O-N 3.03Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.08Å; V33-I36 PolarHBondContact O-N 3.46Å; V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 2.87Å
34L87.4Confident87.1Confident38 Ų3880 Ų8020%0.19941%0.407CS..Hα-helixtrans-61.2-41.6176.3-69174.2000111.9M30 A31 I36 V37 E38 I58 I61 F65M30-L34 WeakPolarHBondContact O-CG 3.29Å; M30-L34 PolarHBondContact O-N 3.1Å; A31-L34 PolarHBondContact O-N 3.15Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.4Å; L34-V37 PolarHBondContact O-N 3.25Å; L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 PolarHBondContact O-N 2.65Å; L34-I58 HydrophobicContact CB-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 4.31Å; L34-I61 HydrophobicContact CD1-CG2 3.91Å; L34-F65 HydrophobicContact CD1-CD2 4.18Å
35A87.4Confident87.2Confident41 Ų4179.4 Ų79.434%0.33941%0.409SS..Hα-helixtrans-62.3-39.4176.600000112.3A31 F32 V33 E38 V39A31-A35 PolarHBondContact O-N 3.39Å; F32-A35 PolarHBondContact O-N 3.1Å; V33-A35 VanDerWaalsContact C-N 3.33Å; V33-A35 PolarHBondContact O-N 3.08Å; A35-E38 PolarHBondContact O-N 2.96Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 2.9Å
36I90.2Very high87.2Confident72 Ų7279.3 Ų79.337%0.36942%0.42SS..Hα-helixtrans-62.5-47.1174.8-69166.9000110.5F32 V33 L34 E38 V39 F40F32-I36 HydrophobicContact CD1-CD1 3.88Å; F32-I36 HydrophobicContact CE1-CD1 3.44Å; F32-I36 VanDerWaalsContact CE1-CD1 3.44Å; F32-I36 HydrophobicContact CE1-CG1 4.44Å; F32-I36 HydrophobicContact CE2-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CD1 3.79Å; F32-I36 HydrophobicContact CZ-CG1 4.42Å; F32-I36 WeakPolarHBondContact O-CG1 3.38Å; F32-I36 PolarHBondContact O-N 3.46Å; F32-I36 VanDerWaalsContact O-N 3.1Å; V33-I36 PolarHBondContact O-N 3.46Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.4Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.32Å; I36-V39 PolarHBondContact O-N 3.25Å; I36-F40 HydrophobicContact CG2-CD2 3.81Å; I36-F40 HydrophobicContact CG2-CE2 3.55Å; I36-F40 WeakPolarHBondContact O-CD2 3.06Å; I36-F40 PolarHBondContact O-N 3.23Å
37V88.1Confident87.3Confident61 Ų6177.7 Ų77.737%0.3742%0.418SS..Hα-helixtrans-59.8-42.5178.2171.70000110.8V33 L34 F40 I41 I58V33-V37 WeakPolarHBondContact O-CG2 3.5Å; V33-V37 PolarHBondContact O-N 2.87Å; L34-V37 PolarHBondContact O-N 3.25Å; V37-F40 PolarHBondContact O-N 2.91Å; V37-I41 HydrophobicContact CG1-CD1 3.63Å; V37-I41 HydrophobicContact CG1-CG1 4.41Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 3.43Å; V37-I58 HydrophobicContact CG1-CD1 4.34Å
38E86.3Confident87.5Confident37 Ų3783.3 Ų83.317%0.17344%0.441CS..Hα-helixtrans-58.7-48.8176-169.7177.8169.500111.5L34 A35 I36 F40 I41 I42 I58L34-E38 WeakPolarHBondContact O-CB 3.49Å; L34-E38 PolarHBondContact O-N 2.65Å; A35-E38 PolarHBondContact O-N 2.96Å; I36-E38 VanDerWaalsContact C-N 3.29Å; I36-E38 PolarHBondContact O-N 3.32Å; E38-F40 PolarHBondContact O-N 2.85Å; E38-I41 WeakPolarHBondContact O-CA 3.38Å; E38-I41 PolarHBondContact O-N 3.2Å; E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 3.07Å; E38-I58 HydrophobicContact CB-CG2 4.48Å
39V89.7Confident87.6Confident94 Ų9484.3 Ų84.357%0.5745%0.452SS*.Hα-helixtrans-55.5-38.4177.9171.20000112.1A35 I36 P43A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 2.9Å; I36-V39 PolarHBondContact O-N 3.25Å; V39-P43 WeakPolarHBondContact O-CD 3.26Å
40F88.8Confident87.4Confident148 Ų14889.6 Ų89.665%0.64947%0.468SS*.Hα-helixtrans-73.4-27.3175.8-76.5-67.2000113.8I36 V37 E38 P43 F44I36-F40 HydrophobicContact CG2-CD2 3.81Å; I36-F40 HydrophobicContact CG2-CE2 3.55Å; I36-F40 WeakPolarHBondContact O-CD2 3.06Å; I36-F40 PolarHBondContact O-N 3.23Å; V37-F40 PolarHBondContact O-N 2.91Å; E38-F40 PolarHBondContact O-N 2.85Å; F40-P43 WeakPolarHBondContact O-CD 2.99Å; F40-P43 WeakPolarHBondContact O-CG 3.28Å; F40-F44 VanDerWaalsContact O-CD2 3.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.02Å; F40-F44 WeakPolarHBondContact O-CE2 3.46Å
41I88.2Confident87.3Confident39 Ų3985 Ų8520%0.245%0.448CS..Hα-helixtrans-82.2-29.4179.4-68.7171.1000111.8V37 E38 P43 F44 C45 A51 C55 I58V37-I41 HydrophobicContact CG1-CD1 3.63Å; V37-I41 HydrophobicContact CG1-CG1 4.41Å; V37-I41 VanDerWaalsContact O-CG1 3.31Å; V37-I41 WeakPolarHBondContact O-CG1 3.48Å; V37-I41 PolarHBondContact O-N 3.43Å; E38-I41 WeakPolarHBondContact O-CA 3.38Å; E38-I41 PolarHBondContact O-N 3.2Å; I41-P43 VanDerWaalsContact C-CD 3.5Å; I41-F44 WeakPolarHBondContact O-CA 3.22Å; I41-F44 WeakPolarHBondContact O-CB 3.28Å; I41-F44 PolarHBondContact O-N 3.17Å; I41-C45 PolarHBondContact O-N 3.37Å; I41-C45 VanDerWaalsContact O-N 3.11Å; I41-C45 PolarHBondContact O-SG 3.37Å; I41-A51 HydrophobicContact CG2-CB 4.4Å; I41-C55 HydrophobicContact CG2-CB 4.38Å; I41-I58 HydrophobicContact CD1-CD1 3.78Å
42I88Confident87.2Confident91 Ų9190 Ų9047%0.46747%0.467SS..Hα-helixtrans-43.8-50.4178.1-71.9170.2000114.2E38 F44 C45E38-I42 WeakPolarHBondContact O-CG1 3.36Å; E38-I42 PolarHBondContact O-N 3.07Å; I42-F44 PolarHBondContact O-N 3.05Å; I42-C45 WeakPolarHBondContact O-CB 3.38Å; I42-C45 PolarHBondContact O-N 2.92Å; I42-C45 VanDerWaalsContact O-N 3.16Å
43P88.4Confident87.2Confident76 Ų7688.2 Ų88.249%0.49447%0.467SS..Hα-helixtrans-62-31.3178.623-34.4000113.3V39 F40 I41V39-P43 WeakPolarHBondContact O-CD 3.26Å; F40-P43 WeakPolarHBondContact O-CD 2.99Å; F40-P43 WeakPolarHBondContact O-CG 3.28Å; I41-P43 VanDerWaalsContact C-CD 3.5Å
44F87.2Confident87Confident122 Ų12286.4 Ų86.454%0.53546%0.461SS..Hα-helixtrans-77.4-23.6178-62.5-78.7000113F40 I41 I42 V46 C47 F48 A51F40-F44 VanDerWaalsContact O-CD2 3.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.02Å; F40-F44 WeakPolarHBondContact O-CE2 3.46Å; I41-F44 WeakPolarHBondContact O-CA 3.22Å; I41-F44 WeakPolarHBondContact O-CB 3.28Å; I41-F44 PolarHBondContact O-N 3.17Å; I42-F44 PolarHBondContact O-N 3.05Å; F44-V46 PolarHBondContact O-N 3.4Å; F44-C47 PolarHBondContact O-N 3.44Å; F44-F48 PolarHBondContact O-N 2.87Å; F44-A51 HydrophobicContact CB-CB 4.24Å
45C86.3Confident86.8Confident31 Ų3185.5 Ų85.521%0.20946%0.457CS..Hα-helixtrans-61.5-28176.4-670000113.1I41 I42 C47I41-C45 PolarHBondContact O-N 3.37Å; I41-C45 VanDerWaalsContact O-N 3.11Å; I41-C45 PolarHBondContact O-SG 3.37Å; I42-C45 WeakPolarHBondContact O-CB 3.38Å; I42-C45 PolarHBondContact O-N 2.92Å; I42-C45 VanDerWaalsContact O-N 3.16Å; C45-C47 VanDerWaalsContact C-N 3.34Å
46V86.2Confident86.8Confident132 Ų13288.7 Ų88.780%0.847%0.465SS*.THydrogen-bonded Turntrans-74.2-28.9176.3-177.80000111.4F44F44-V46 PolarHBondContact O-N 3.4Å
47C87.6Confident86.6Confident93 Ų9391.7 Ų91.763%0.62848%0.476SS*.THydrogen-bonded Turntrans-91.4-30.5-177.3-60.80000113.2F44 C45F44-C47 PolarHBondContact O-N 3.44Å; C45-C47 VanDerWaalsContact C-N 3.34Å
48F87.3Confident86.5Confident128 Ų12890.2 Ų90.256%0.56147%0.465SS*.  trans-134.2120.6-172.2-60.2-78.4000112.1F44 K50 A51 K52F44-F48 PolarHBondContact O-N 2.87Å; F48-K50 PolarHBondContact O-N 3.36Å; F48-A51 HydrophobicContact CB-CB 4.1Å; F48-A51 WeakPolarHBondContact O-CB 3.23Å; F48-A51 PolarHBondContact O-N 3.23Å; F48-K52 PolarHBondContact O-N 3.21Å
49E85.7Confident86.4Confident168 Ų16890.4 Ų90.479%0.78547%0.468SS*.Hα-helixtrans-58-33.8173.7-71.9-177.6165.500112.5A51 K52 T53E49-A51 VanDerWaalsContact C-N 3.29Å; E49-A51 PolarHBondContact O-N 3.06Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.27Å; E49-T53 PolarHBondContact O-N 3.49Å; E49-T53 PolarHBondContact O-OG1 3.31Å
50K84.4Confident86.2Confident177 Ų17794.9 Ų94.977%0.7747%0.474SS*.Hα-helixtrans-64.7-33.5177.2-59.7-59.4-178.9-174.90112.6F48 A54F48-K50 PolarHBondContact O-N 3.36Å; K50-A54 PolarHBondContact O-N 2.76Å
51A83.4Confident86Confident18 Ų1890.4 Ų90.415%0.14946%0.456CS..Hα-helixtrans-69.7-36.8175.300000111I41 F44 F48 E49 T53 A54 C55I41-A51 HydrophobicContact CG2-CB 4.4Å; F44-A51 HydrophobicContact CB-CB 4.24Å; F48-A51 HydrophobicContact CB-CB 4.1Å; F48-A51 WeakPolarHBondContact O-CB 3.23Å; F48-A51 PolarHBondContact O-N 3.23Å; E49-A51 VanDerWaalsContact C-N 3.29Å; E49-A51 PolarHBondContact O-N 3.06Å; A51-T53 PolarHBondContact O-N 2.81Å; A51-A54 PolarHBondContact O-N 3.42Å; A51-C55 WeakPolarHBondContact O-CB 3.15Å; A51-C55 PolarHBondContact O-N 3.49Å
52K84.1Confident85.6Confident117 Ų11791.4 Ų91.451%0.50946%0.458SS..Hα-helixtrans-58.8-47.4174-173.5-176.4176.2-173.30111.9F48 E49 A54 C55 E56F48-K52 PolarHBondContact O-N 3.21Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 3.27Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.95Å; K52-C55 WeakPolarHBondContact O-CB 3.46Å; K52-C55 PolarHBondContact O-N 3.17Å; K52-E56 VanDerWaalsContact CE-OE1 3.29Å; K52-E56 WeakPolarHBondContact CE-OE1 3.29Å; K52-E56 PolarHBondContact O-N 2.96Å
53T86.8Confident85.3Confident89 Ų8991 Ų9155%0.54645%0.453SS..Hα-helixtrans-61.9-39.6176.9-51.50000112.2E49 A51 E56 F57E49-T53 PolarHBondContact O-N 3.49Å; E49-T53 PolarHBondContact O-OG1 3.31Å; A51-T53 PolarHBondContact O-N 2.81Å; T53-E56 PolarHBondContact O-N 3.29Å; T53-F57 PolarHBondContact O-N 3.46Å; T53-F57 VanDerWaalsContact O-N 3.11Å
54A84.7Confident84.8Confident43 Ų4389.5 Ų89.536%0.35544%0.442SS..Hα-helixtrans-64.8-40.7175.600000111.8K50 A51 K52 F57 I58K50-A54 PolarHBondContact O-N 2.76Å; A51-A54 PolarHBondContact O-N 3.42Å; K52-A54 VanDerWaalsContact C-N 3.32Å; K52-A54 PolarHBondContact O-N 2.95Å; A54-F57 PolarHBondContact O-N 3.28Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.92Å
55C84.8Confident84.4Confident18 Ų1888 Ų8812%0.12244%0.436CS..Hα-helixtrans-60.8-47.4176.2-161.30000111.5I41 A51 K52 F57 I58 D59I41-C55 HydrophobicContact CG2-CB 4.38Å; A51-C55 WeakPolarHBondContact O-CB 3.15Å; A51-C55 PolarHBondContact O-N 3.49Å; K52-C55 WeakPolarHBondContact O-CB 3.46Å; K52-C55 PolarHBondContact O-N 3.17Å; C55-F57 VanDerWaalsContact C-N 3.28Å; C55-F57 PolarHBondContact O-N 3.45Å; C55-I58 PolarHBondContact O-N 3.4Å; C55-D59 WeakPolarHBondContact O-CB 3.42Å; C55-D59 PolarHBondContact O-N 3.09Å
56E86.2Confident83.9Confident109 Ų10987.7 Ų87.751%0.50944%0.436SS..Hα-helixtrans-61.3-36176.7-72.2174.6-178.500112.3K52 T53 R60K52-E56 VanDerWaalsContact CE-OE1 3.29Å; K52-E56 WeakPolarHBondContact CE-OE1 3.29Å; K52-E56 PolarHBondContact O-N 2.96Å; T53-E56 PolarHBondContact O-N 3.29Å; E56-R60 PolarHBondContact O-N 3.26Å; E56-R60 VanDerWaalsContact O-N 3.1Å
57F86.6Confident83.5Confident135 Ų13586.7 Ų86.759%0.59242%0.421SS*.Hα-helixtrans-70.3-42.2176.6-171.6-106.8000112.2T53 A54 C55 R60 I61T53-F57 PolarHBondContact O-N 3.46Å; T53-F57 VanDerWaalsContact O-N 3.11Å; A54-F57 PolarHBondContact O-N 3.28Å; C55-F57 VanDerWaalsContact C-N 3.28Å; C55-F57 PolarHBondContact O-N 3.45Å; F57-R60 PolarHBondContact O-N 2.96Å; F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CE1-CD1 3.21Å; F57-I61 HydrophobicContact CE1-CG1 4.36Å; F57-I61 HydrophobicContact CE2-CD1 4.39Å; F57-I61 HydrophobicContact CG-CD1 4.38Å; F57-I61 HydrophobicContact CZ-CD1 3.65Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-I61 VanDerWaalsContact O-N 3.08Å
58I86.2Confident83Confident29 Ų2984.4 Ų84.415%0.14940%0.402CS..Hα-helixtrans-64.1-42.9174.7-67.5165.5000110.5L34 V37 E38 I41 A54 C55 R60 I61 Y62L34-I58 HydrophobicContact CB-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 4.31Å; V37-I58 HydrophobicContact CG1-CD1 4.34Å; E38-I58 HydrophobicContact CB-CG2 4.48Å; I41-I58 HydrophobicContact CD1-CD1 3.78Å; A54-I58 VanDerWaalsContact O-CG1 3.29Å; A54-I58 WeakPolarHBondContact O-CG1 3.43Å; A54-I58 PolarHBondContact O-N 2.92Å; C55-I58 PolarHBondContact O-N 3.4Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.11Å; I58-I61 PolarHBondContact O-N 2.94Å; I58-I61 VanDerWaalsContact O-N 3.15Å; I58-Y62 PolarHBondContact O-N 3.2Å
59D84.5Confident82.4Confident41 Ų4178.6 Ų78.622%0.21938%0.377CS..Hα-helixtrans-54.8-47.2175.8171.180000111.2C55 I61 Y62 K63C55-D59 WeakPolarHBondContact O-CB 3.42Å; C55-D59 PolarHBondContact O-N 3.09Å; D59-I61 PolarHBondContact O-N 3.45Å; D59-Y62 HydrophobicContact CB-CD1 4.3Å; D59-Y62 HydrophobicContact CB-CE1 3.98Å; D59-Y62 WeakPolarHBondContact O-CD1 3.46Å; D59-Y62 VanDerWaalsContact O-CE1 3.28Å; D59-Y62 WeakPolarHBondContact O-CE1 3.16Å; D59-Y62 PolarHBondContact O-N 3.38Å; D59-Y62 WeakPolarHBondContact OD1-CE1 3.41Å; D59-Y62 PolarHBondContact OD1-OH 3.49Å; D59-K63 WeakPolarHBondContact O-CG 3.34Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.48Å; D59-K63 IonicContact OD1-NZ 2.96Å; D59-K63 PolarHBondContact OD1-NZ 2.97Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 IonicContact OD2-NZ 2.65Å; D59-K63 PolarHBondContact OD2-NZ 2.98Å
60R84.5Confident81.9Confident188 Ų18874.2 Ų74.271%0.70936%0.358SS*.Hα-helixtrans-64-41.4177.9-167.8174.1-176.4179.20.5112.5E56 F57 I58 V64E56-R60 PolarHBondContact O-N 3.26Å; E56-R60 VanDerWaalsContact O-N 3.1Å; F57-R60 PolarHBondContact O-N 2.96Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 3.11Å; R60-V64 WeakPolarHBondContact O-CG2 3.45Å; R60-V64 PolarHBondContact O-N 3.01Å
61I84.7Confident81.4Confident54 Ų5468.9 Ų68.928%0.27734%0.339SS..Hα-helixtrans-68.6-41.6180-72.3173.7000111.3L34 F57 I58 D59 K63 V64 F65L34-I61 HydrophobicContact CD1-CG2 3.91Å; F57-I61 HydrophobicContact CD1-CD1 3.62Å; F57-I61 HydrophobicContact CE1-CD1 3.21Å; F57-I61 HydrophobicContact CE1-CG1 4.36Å; F57-I61 HydrophobicContact CE2-CD1 4.39Å; F57-I61 HydrophobicContact CG-CD1 4.38Å; F57-I61 HydrophobicContact CZ-CD1 3.65Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; F57-I61 PolarHBondContact O-N 2.81Å; F57-I61 VanDerWaalsContact O-N 3.08Å; I58-I61 PolarHBondContact O-N 2.94Å; I58-I61 VanDerWaalsContact O-N 3.15Å; D59-I61 PolarHBondContact O-N 3.45Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 3.42Å; I61-V64 PolarHBondContact O-N 2.97Å; I61-F65 HydrophobicContact CG2-CD2 3.56Å; I61-F65 HydrophobicContact CG2-CE2 3.36Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.49Å
62Y81.1Confident80.8Confident60 Ų6070.2 Ų70.224%0.23534%0.343CS..Hα-helixtrans-63.2-38.2179.891.7-115.2000110.8I58 D59 V64 F65 A66I58-Y62 PolarHBondContact O-N 3.2Å; D59-Y62 HydrophobicContact CB-CD1 4.3Å; D59-Y62 HydrophobicContact CB-CE1 3.98Å; D59-Y62 WeakPolarHBondContact O-CD1 3.46Å; D59-Y62 VanDerWaalsContact O-CE1 3.28Å; D59-Y62 WeakPolarHBondContact O-CE1 3.16Å; D59-Y62 PolarHBondContact O-N 3.38Å; D59-Y62 WeakPolarHBondContact OD1-CE1 3.41Å; D59-Y62 PolarHBondContact OD1-OH 3.49Å; Y62-V64 VanDerWaalsContact C-N 3.32Å; Y62-V64 PolarHBondContact O-N 3.14Å; Y62-F65 PolarHBondContact O-N 3.22Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.37Å
63K80.2Confident80.2Confident83 Ų8365.3 Ų65.336%0.36133%0.325SS..Hα-helixtrans-60.5-44.6-178.8-74.8171.8-177.1159.50111.2D59 I61 A66 F67D59-K63 WeakPolarHBondContact O-CG 3.34Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.48Å; D59-K63 IonicContact OD1-NZ 2.96Å; D59-K63 PolarHBondContact OD1-NZ 2.97Å; D59-K63 WeakPolarHBondContact OD2-CE 3.33Å; D59-K63 IonicContact OD2-NZ 2.65Å; D59-K63 PolarHBondContact OD2-NZ 2.98Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 3.07Å; K63-F67 HydrophobicContact CB-CD2 4.46Å; K63-F67 WeakPolarHBondContact O-CB 3.36Å; K63-F67 WeakPolarHBondContact O-CD2 3.48Å; K63-F67 PolarHBondContact O-N 3.23Å
64V79.2Confident79.4Confident44 Ų4470 Ų7027%0.26733%0.332SS..Hα-helixtrans-56.3-51.5174.2166.40000110.2R60 I61 Y62 A66 D68 P69 V98R60-V64 WeakPolarHBondContact O-CG2 3.45Å; R60-V64 PolarHBondContact O-N 3.01Å; I61-V64 PolarHBondContact O-N 2.97Å; Y62-V64 VanDerWaalsContact C-N 3.32Å; Y62-V64 PolarHBondContact O-N 3.14Å; V64-A66 PolarHBondContact O-N 3.12Å; V64-D68 VanDerWaalsContact CG1-OD2 3.29Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.06Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.25Å; V64-D68 PolarHBondContact O-N 3.32Å; V64-P69 WeakPolarHBondContact O-CD 3.21Å; V64-V98 HydrophobicContact CG2-CG1 4.34Å
65F78.1Confident78.6Confident91 Ų9170.8 Ų70.840%0.39933%0.326SS..Hα-helixtrans-68.8-31.6-177.9-74-60.4000114.4A27 L34 I61 Y62 P69A27-F65 HydrophobicContact CB-CB 4.43Å; A27-F65 HydrophobicContact CB-CD1 4.49Å; A27-F65 VanDerWaalsContact CB-O 3.25Å; A27-F65 WeakPolarHBondContact CB-O 3.45Å; L34-F65 HydrophobicContact CD1-CD2 4.18Å; I61-F65 HydrophobicContact CG2-CD2 3.56Å; I61-F65 HydrophobicContact CG2-CE2 3.36Å; I61-F65 VanDerWaalsContact O-CD2 3.23Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.49Å; Y62-F65 PolarHBondContact O-N 3.22Å; F65-P69 WeakPolarHBondContact O-CD 3.23Å; F65-P69 WeakPolarHBondContact O-CG 3.45Å
66A76.6Confident77.5Confident25 Ų2574.8 Ų74.821%0.20734%0.344CS..Hα-helixtrans-81.3-42-178.100000112.9W24 A31 Y62 K63 V64W24-A66 PolarHBondContact NE1-O 2.97Å; A31-A66 HydrophobicContact CB-CB 4.16Å; Y62-A66 WeakPolarHBondContact O-CB 3.39Å; Y62-A66 PolarHBondContact O-N 3.37Å; K63-A66 PolarHBondContact O-N 3.07Å; V64-A66 PolarHBondContact O-N 3.12Å
67F76.3Confident76.4Confident111 Ų11172.1 Ų72.149%0.48733%0.33SS..Hα-helixtrans-100.8-39.2-170.2-67.3-74.1000113.5K63 I70 D71K63-F67 HydrophobicContact CB-CD2 4.46Å; K63-F67 WeakPolarHBondContact O-CB 3.36Å; K63-F67 WeakPolarHBondContact O-CD2 3.48Å; K63-F67 PolarHBondContact O-N 3.23Å; F67-I70 WeakPolarHBondContact O-CG2 3.42Å; F67-I70 PolarHBondContact O-N 3.41Å; F67-I70 VanDerWaalsContact O-N 3.09Å; F67-D71 PolarHBondContact O-N 3.45Å
68D76.8Confident75.3Confident44 Ų4466.5 Ų66.524%0.23531%0.307CS..Hα-helixtrans-60-41.2-174.3-62.20.3000112.9V64 I70 D71 N72V64-D68 VanDerWaalsContact CG1-OD2 3.29Å; V64-D68 WeakPolarHBondContact CG1-OD2 3.06Å; V64-D68 WeakPolarHBondContact O-CB 3.32Å; V64-D68 VanDerWaalsContact O-CG 3.25Å; V64-D68 PolarHBondContact O-N 3.32Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 3.49Å; D68-D71 PolarHBondContact O-N 2.92Å; D68-N72 WeakPolarHBondContact O-CB 3.13Å; D68-N72 PolarHBondContact O-N 3.47Å; D68-N72 PolarHBondContact O-ND2 3.38Å
69P74.6Confident74.1Confident7 Ų768.4 Ų68.45%0.04532%0.317CS..Hα-helixtrans-64.8-35.4178.2-2435.7000113.5W20 I23 W24 A27 V64 F65 A73W20-P69 HydrophobicContact CE3-CB 4.17Å; I23-P69 HydrophobicContact CG2-CB 4.3Å; I23-P69 HydrophobicContact CG2-CG 4.3Å; W24-P69 HydrophobicContact CB-CB 3.67Å; W24-P69 HydrophobicContact CG-CB 4.26Å; A27-P69 HydrophobicContact CB-CG 4.07Å; V64-P69 WeakPolarHBondContact O-CD 3.21Å; F65-P69 WeakPolarHBondContact O-CD 3.23Å; F65-P69 WeakPolarHBondContact O-CG 3.45Å; P69-A73 WeakPolarHBondContact O-CB 3.46Å; P69-A73 PolarHBondContact O-N 2.92Å
70I75.8Confident72.8Confident75 Ų7572.8 Ų72.839%0.38534%0.34SS..Hα-helixtrans-77.1-37.5-179.7-168.1164.8000111.5W24 F67 D68 A73 R74W24-I70 HydrophobicContact CZ2-CD1 4.15Å; F67-I70 WeakPolarHBondContact O-CG2 3.42Å; F67-I70 PolarHBondContact O-N 3.41Å; F67-I70 VanDerWaalsContact O-N 3.09Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 3.49Å; I70-A73 PolarHBondContact O-N 3.08Å; I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 2.78Å
71D73.4Confident71.3Confident66 Ų6672 Ų7235%0.35334%0.338SS..Hα-helixtrans-64.9-45.3173-77-49000110.4F67 D68 A73 R74 Y75F67-D71 PolarHBondContact O-N 3.45Å; D68-D71 PolarHBondContact O-N 2.92Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.42Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.32Å; D71-R74 VanDerWaalsContact O-N 3.14Å; D71-Y75 WeakPolarHBondContact O-CD2 3.4Å; D71-Y75 PolarHBondContact O-N 3.11Å
72N71.4Confident69.7Low45 Ų4573.8 Ų73.824%0.24135%0.348CS..Hα-helixtrans-62.8-37176-72.8-34.9000112.9W20 D68 M76 R77W20-N72 HydrophobicContact CD2-CB 3.53Å; W20-N72 VanDerWaalsContact CE2-CB 3.46Å; W20-N72 HydrophobicContact CE3-CB 3.82Å; W20-N72 HydrophobicContact CG-CB 4.03Å; W20-N72 HydrophobicContact CH2-CB 3.96Å; W20-N72 WeakPolarHBondContact CH2-ND2 3.48Å; W20-N72 HydrophobicContact CZ2-CB 3.67Å; W20-N72 HydrophobicContact CZ3-CB 4.03Å; D68-N72 WeakPolarHBondContact O-CB 3.13Å; D68-N72 PolarHBondContact O-N 3.47Å; D68-N72 PolarHBondContact O-ND2 3.38Å; N72-M76 PolarHBondContact O-N 3.4Å; N72-R77 HydrophobicContact CB-CB 4.49Å; N72-R77 PolarHBondContact O-N 3.23Å; N72-R77 VanDerWaalsContact O-N 3.07Å
73A71.4Confident68.3Low15 Ų1575.7 Ų75.712%0.12437%0.368CS..Hα-helixtrans-63.3-44.5172.500000111.8W20 P69 I70 D71 Y75 M76W20-A73 HydrophobicContact CB-CB 3.67Å; P69-A73 WeakPolarHBondContact O-CB 3.46Å; P69-A73 PolarHBondContact O-N 2.92Å; I70-A73 PolarHBondContact O-N 3.08Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 3.42Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.16Å; A73-M76 PolarHBondContact O-N 3.41Å; A73-M76 VanDerWaalsContact O-N 3.16Å
74R70.8Confident67Low187 Ų18774.7 Ų74.771%0.70638%0.381SS*.Hα-helixtrans-62.4-40.7179.8-178.3-179.8177.6176.9-2.2112I70 D71 M76I70-R74 WeakPolarHBondContact O-CB 3.31Å; I70-R74 PolarHBondContact O-N 2.78Å; D71-R74 WeakPolarHBondContact O-CB 3.38Å; D71-R74 PolarHBondContact O-N 3.32Å; D71-R74 VanDerWaalsContact O-N 3.14Å; R74-M76 PolarHBondContact O-N 2.98Å
75Y67.2Low65.7Low59 Ų5974.6 Ų74.623%0.23138%0.379CS..THydrogen-bonded Turntrans-84.96.6178.7-70-68.6000113.7D71 A73 R77 D91D71-Y75 WeakPolarHBondContact O-CD2 3.4Å; D71-Y75 PolarHBondContact O-N 3.11Å; A73-Y75 VanDerWaalsContact C-N 3.34Å; A73-Y75 PolarHBondContact O-N 3.16Å; Y75-R77 PolarHBondContact O-N 2.9Å; Y75-R77 VanDerWaalsContact O-N 3.08Å; Y75-D91 HydrophobicContact CE1-CB 4.47Å; Y75-D91 VanDerWaalsContact CE1-OD2 3.31Å; Y75-D91 WeakPolarHBondContact CE1-OD2 3.47Å; Y75-D91 PolarHBondContact OH-OD2 3.07Å
76M62.5Low64.3Low102 Ų10276 Ų7650%0.50240%0.397SS..THydrogen-bonded Turntrans48.736.9-179.3-56.3-179-173.300112.3N72 A73 R74N72-M76 PolarHBondContact O-N 3.4Å; A73-M76 PolarHBondContact O-N 3.41Å; A73-M76 VanDerWaalsContact O-N 3.16Å; R74-M76 PolarHBondContact O-N 2.98Å
77R62.5Low63.2Low53 Ų5376.4 Ų76.420%0.240%0.397CS..  trans-70133.1-172.1-64.5-65.6-170.6179.3-3.8109.4W20 N72 Y75W20-R77 VanDerWaalsContact CD1-O 3.32Å; W20-R77 PolarHBondContact NE1-O 2.88Å; N72-R77 HydrophobicContact CB-CB 4.49Å; N72-R77 PolarHBondContact O-N 3.23Å; N72-R77 VanDerWaalsContact O-N 3.07Å; Y75-R77 PolarHBondContact O-N 2.9Å; Y75-R77 VanDerWaalsContact O-N 3.08Å
78P63.1Low62Low18 Ų1875.2 Ų75.212%0.11740%0.4CS..  trans-67.9139.7171.530.3-34000109.7W16 L80 I85 V87W16-P78 HydrophobicContact CD2-CB 4.35Å; W16-P78 HydrophobicContact CG-CB 4.3Å; P78-L80 VanDerWaalsContact C-N 3.25Å; P78-L80 WeakPolarHBondContact CB-O 3.46Å; P78-L80 PolarHBondContact O-N 2.85Å; P78-I85 HydrophobicContact CB-CD1 4.37Å; P78-V87 HydrophobicContact CG-CG2 4.4Å
79L61Low60.9Low69 Ų6978 Ų7836%0.36142%0.423SS..SBendtrans-65.2-31.7177.3-79.8162.9000112.5W16 V19 W20 I23W16-L79 HydrophobicContact CE3-CB 3.83Å; W16-L79 HydrophobicContact CE3-CD1 3.75Å; W16-L79 HydrophobicContact CE3-CG 3.86Å; W16-L79 HydrophobicContact CH2-CB 4.15Å; W16-L79 HydrophobicContact CZ3-CB 3.47Å; W16-L79 VanDerWaalsContact CZ3-CB 3.47Å; W16-L79 HydrophobicContact CZ3-CD1 3.52Å; W16-L79 HydrophobicContact CZ3-CG 3.83Å; V19-L79 HydrophobicContact CB-CD1 4.2Å; V19-L79 HydrophobicContact CG1-CD1 3.38Å; W20-L79 HydrophobicContact CD2-CD2 4.13Å; W20-L79 HydrophobicContact CE3-CD2 4.39Å; W20-L79 HydrophobicContact CH2-CD2 3.62Å; W20-L79 HydrophobicContact CZ2-CD2 3.29Å; W20-L79 HydrophobicContact CZ2-CG 4.06Å; W20-L79 HydrophobicContact CZ3-CD2 4.16Å; I23-L79 HydrophobicContact CD1-CD1 4.09Å; I23-L79 HydrophobicContact CD1-CD2 3.84Å
80L58.1Low59.9Low133 Ų13382.2 Ų82.270%0.69645%0.453SS*.SBendtrans-112.7118.5171.8-71.9165.8000107.1P78 N82P78-L80 VanDerWaalsContact C-N 3.25Å; P78-L80 WeakPolarHBondContact CB-O 3.46Å; P78-L80 PolarHBondContact O-N 2.85Å; L80-N82 PolarHBondContact O-N 2.93Å
81Y53.3Low58.7Low172 Ų17281.9 Ų81.968%0.67545%0.452SS*.  trans-57.9103.5172-179.5-95.1000108.6P83Y81-P83 HydrophobicContact CE1-CB 4.09Å
82N50.1Low57.7Low90 Ų9084.5 Ų84.548%0.48147%0.472SS..  trans-105.9114.5168.6-172.54.8000106.7L80 G84 I85L80-N82 PolarHBondContact O-N 2.93Å; N82-G84 PolarHBondContact O-N 3.01Å; N82-I85 HydrophobicContact CB-CD1 4.24Å; N82-I85 HydrophobicContact CB-CG1 4.33Å; N82-I85 PolarHBondContact O-N 2.92Å
83P53Low56.8Low101 Ų10189.1 Ų89.166%0.65650%0.497SS*.THydrogen-bonded Turntrans-58.4-14.1-177.220.7-31.8000113.9Y81Y81-P83 HydrophobicContact CE1-CB 4.09Å
84G51Low55.8Low62 Ų6289.2 Ų89.264%0.63950%0.498SS*.THydrogen-bonded Turntrans-79.5-7.2174.800000116.1N82N82-G84 PolarHBondContact O-N 3.01Å
85I52.1Low54.5Low41 Ų4185.5 Ų85.521%0.2150%0.498CS..SBendtrans-102.6113179.9-56.3177.5000108.4P78 N82 V87P78-I85 HydrophobicContact CB-CD1 4.37Å; N82-I85 HydrophobicContact CB-CD1 4.24Å; N82-I85 HydrophobicContact CB-CG1 4.33Å; N82-I85 PolarHBondContact O-N 2.92Å; I85-V87 WeakPolarHBondContact O-CG2 3.35Å; I85-V87 PolarHBondContact O-N 3.17Å
86P50Low53.8Low122 Ų12290.7 Ų90.779%0.79252%0.524SS*.  trans-65.4104.8176.826.1-31.6000108.5
87V53.5Low52.8Low33 Ų3393.7 Ų93.720%0.254%0.535CS..  trans-80.8124.3171-152.40000106.1P78 I85 S89P78-V87 HydrophobicContact CG-CG2 4.4Å; I85-V87 WeakPolarHBondContact O-CG2 3.35Å; I85-V87 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact C-N 3.27Å; V87-S89 PolarHBondContact O-N 2.77Å
88P51.1Low51.6Low85 Ų8599.1 Ų99.155%0.55257%0.574SS**  trans-65.892.9174.221.4-25.3000108.8S90P88-S90 VanDerWaalsContact C-N 3.27Å; P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.17Å
89S54.2Low51Low102 Ų102103.2 Ų103.271%0.71360%0.597SS**  trans-84.172.8171.653.60000108.5V87V87-S89 VanDerWaalsContact C-N 3.27Å; V87-S89 PolarHBondContact O-N 2.77Å
90S53.4Low50.5Low96 Ų96105 Ų10567%0.67161%0.609SS**  trans-91.8-15168.852.70000113P88P88-S90 VanDerWaalsContact C-N 3.27Å; P88-S90 PolarHBondContact O-N 3.11Å; P88-S90 VanDerWaalsContact O-N 3.17Å
91D49.8Very low50.1Low68 Ų68103.4 Ų103.436%0.36460%0.604SS.*  trans-108.7111.3177.7-84.2-42.8000111.2Y75 D93 A94Y75-D91 HydrophobicContact CE1-CB 4.47Å; Y75-D91 VanDerWaalsContact CE1-OD2 3.31Å; Y75-D91 WeakPolarHBondContact CE1-OD2 3.47Å; Y75-D91 PolarHBondContact OH-OD2 3.07Å; D91-D93 PolarHBondContact O-N 3.09Å; D91-A94 HydrophobicContact CB-CB 4.45Å; D91-A94 PolarHBondContact O-N 2.72Å
92P53.1Low49.9Very low121 Ų12199.4 Ų99.479%0.78660%0.6SS**THydrogen-bonded Turntrans-66.1-16.2171.226.3-31.7000112.9
93D52Low49.8Very low143 Ų143100 Ų10077%0.76561%0.607SS**THydrogen-bonded Turntrans-93.81.2-177.5-60.7-46.9000114.1D91 P95D91-D93 PolarHBondContact O-N 3.09Å; D93-P95 WeakPolarHBondContact O-CD 3.13Å
94A50.2Low49.6Very low17 Ų1799.9 Ų99.914%0.1460%0.604CS.*SBendtrans-65.9120.3177.200000109.2D91 Q96D91-A94 HydrophobicContact CB-CB 4.45Å; D91-A94 PolarHBondContact O-N 2.72Å; A94-Q96 PolarHBondContact O-N 2.97Å
95P43.5Very low49.5Very low109 Ų109102.6 Ų102.671%0.70860%0.602SS**  trans-58.6112-18021.1-30.1000108.9D93 F97D93-P95 WeakPolarHBondContact O-CD 3.13Å; P95-F97 PolarHBondContact O-N 3.27Å; P95-F97 VanDerWaalsContact O-N 3.11Å
96Q51.5Low49.3Very low168 Ų168107.4 Ų107.479%0.78563%0.632SS**  trans-76.597.9170.2-63.2-158.617.300106.1A94A94-Q96 PolarHBondContact O-N 2.97Å
97F42.3Very low49.3Very low165 Ų165106.2 Ų106.272%0.72462%0.618SS**  trans74.3114.3172.4-45.3-82.9000115P95P95-F97 PolarHBondContact O-N 3.27Å; P95-F97 VanDerWaalsContact O-N 3.11Å
98V37Very low48.9Very low167 Ų167112.8 Ų112.8100%1.01266%0.656SS**  trans-127.90143.9-1800000106.9V64V64-V98 HydrophobicContact CG2-CG1 4.34Å

Retrieved 98 of 98 residues in 175.5 ms (Link to these results)