G4VSV3_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VSV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 402 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
1M51Low70.3Confident168 Ų16894.5 Ų94.583%0.82849%0.49SS*.  0121.70-71.5175.5-179.300107E191M1-E191 WeakPolarHBondContact CE-OE2 3.2Å
2N64.1Low69Low123 Ų12394.2 Ų94.266%0.65849%0.488SS*.  trans-82131.2176.6-64.9-12.1000107.3V4 T5 H173N2-V4 WeakPolarHBondContact CB-O 3.48Å; N2-T5 HydrophobicContact CB-CG2 4.33Å; N2-H173 PolarHBondContact O-CD2 2.99Å; N2-H173 PolarHBondContact O-NE2 3.16Å
3F67.6Low67.1Low69 Ų69102.7 Ų102.730%0.30351%0.512SS..SBendtrans-74.6-23172.7176.7-109.1000111.5L169 F170 I174F3-L169 HydrophobicContact CE2-CG 4.25Å; F3-L169 HydrophobicContact CZ-CD2 4Å; F3-L169 HydrophobicContact CZ-CG 4.07Å; F3-F170 AromaticContact CD2-CD1 3.87Å; F3-F170 HydrophobicContact CD2-CD1 3.87Å; F3-F170 HydrophobicContact CD2-CE1 4.21Å; F3-F170 HydrophobicContact CE2-CD1 4.24Å; F3-I174 HydrophobicContact CD1-CD1 4.2Å; F3-I174 HydrophobicContact CE1-CD1 3.33Å; F3-I174 HydrophobicContact CE1-CG1 3.96Å; F3-I174 HydrophobicContact CZ-CD1 3.59Å; F3-I174 HydrophobicContact CZ-CG1 3.95Å; F3-I174 PolarHBondContact O-N 3.22Å
4V76.5Confident65.3Low49 Ų49103.8 Ų103.830%0.29752%0.519SS..EExtended strand (participates in β ladder)trans-122.8124.7178.8-176.20000107.9N2 Y6 I174 I176N2-V4 WeakPolarHBondContact CB-O 3.48Å; V4-Y6 HydrophobicContact CG1-CE2 4.06Å; V4-I174 VanDerWaalsContact CA-O 3.29Å; V4-I174 WeakPolarHBondContact CA-O 3.18Å; V4-I174 HydrophobicContact CG2-CB 4.41Å; V4-I176 HydrophobicContact CG1-CD1 3.57Å; V4-I176 HydrophobicContact CG1-CG1 4.04Å
5T77.9Confident63.4Low49 Ų49102.5 Ų102.530%0.30153%0.53SS..EExtended strand (participates in β ladder)trans-117.7142.8167.780.70000109.8N2 H173 I174 D175 I176N2-T5 HydrophobicContact CB-CG2 4.33Å; T5-H173 VanDerWaalsContact CB-CE1 3.46Å; T5-H173 WeakPolarHBondContact CB-CE1 3.49Å; T5-H173 WeakPolarHBondContact CG2-CE1 3.5Å; T5-H173 WeakPolarHBondContact CG2-NE2 3.28Å; T5-H173 PolarHBondContact N-CE1 3.47Å; T5-H173 PolarHBondContact OG1-CE1 2.94Å; T5-H173 VanDerWaalsContact OG1-CE1 3.29Å; T5-I174 PolarHBondContact N-O 3.02Å; T5-D175 WeakPolarHBondContact O-CA 3.07Å; T5-D175 PolarHBondContact OG1-OD1 3.05Å; T5-I176 PolarHBondContact O-N 2.85Å
6Y78.2Confident61.9Low157 Ų157105.1 Ų105.162%0.61653%0.533SS*.EExtended strand (participates in β ladder)trans-100.5121.8174-65.1-90.2000106.9V4 I176 L178V4-Y6 HydrophobicContact CG1-CE2 4.06Å; Y6-I176 HydrophobicContact CD1-CB 3.88Å; Y6-I176 HydrophobicContact CD1-CD1 4.25Å; Y6-I176 HydrophobicContact CD1-CG2 4.05Å; Y6-I176 HydrophobicContact CE1-CB 4.08Å; Y6-I176 HydrophobicContact CE1-CD1 3.58Å; Y6-I176 HydrophobicContact CE1-CG1 4.38Å; Y6-I176 HydrophobicContact CE1-CG2 4.13Å; Y6-L178 HydrophobicContact CD1-CD1 4.41Å; Y6-L178 HydrophobicContact CD1-CD2 4.12Å; Y6-L178 HydrophobicContact CD1-CG 4.38Å
7N77.6Confident60.3Low62 Ų62105.3 Ų105.333%0.33254%0.535SS..EExtended strand (participates in β ladder)trans-125.2124.1-179-169.2-2.7000110N9 I176 C177 L178N7-N9 PolarHBondContact OD1-N 3.35Å; N7-I176 PolarHBondContact N-O 3.02Å; N7-C177 WeakPolarHBondContact O-CA 3.48Å; N7-L178 PolarHBondContact O-N 2.93Å; N7-L178 VanDerWaalsContact O-N 3.17Å
8D75.9Confident59.1Low98 Ų98109.4 Ų109.452%0.52455%0.552SS.*SBendtrans-81.9-20.4177.2-66.9-37.8000112.2L178 N179D8-L178 VanDerWaalsContact OD1-CB 3.29Å; D8-L178 WeakPolarHBondContact OD1-CB 3.38Å; D8-L178 WeakPolarHBondContact OD1-CD1 3.33Å; D8-N179 WeakPolarHBondContact O-CB 3.31Å; D8-N179 PolarHBondContact O-ND2 3.36Å
9N74.6Confident58Low130 Ų130108.4 Ų108.470%0.69556%0.556SS**  trans-111.243.3-173.8-71.1-12.3000112.6N7 T11N7-N9 PolarHBondContact OD1-N 3.35Å; N9-T11 PolarHBondContact O-N 3.39Å
10C66.8Low57.1Low19 Ų19108.3 Ų108.313%0.12855%0.553CS.*  trans-69.9100.4171.7-69.60000111.1C177C10-C177 HydrophobicContact CB-CB 3.54Å; C10-C177 WeakPolarHBondContact CB-SG 3.46Å; C10-C177 WeakPolarHBondContact SG-CA 3.34Å; C10-C177 WeakPolarHBondContact SG-CB 3.47Å; C10-C177 CovalentContact SG-SG 2.03Å; C10-C177 PolarHBondContact SG-SG 2.91Å
11T63Low56.4Low115 Ų115110.5 Ų110.571%0.70657%0.565SS**  trans-81.4115162.6550000108.2N9 Y13N9-T11 PolarHBondContact O-N 3.39Å; T11-Y13 PolarHBondContact O-N 3.22Å
12I54.8Low56.2Low91 Ų91106.4 Ų106.447%0.46756%0.559SS.*  trans-58.7115.4161.3-58.4170.4000104.7I14 Q180I12-I14 HydrophobicContact CB-CG1 3.96Å; I12-I14 HydrophobicContact CG2-CG1 3.74Å; I12-I14 PolarHBondContact O-N 2.84Å; I12-Q180 VanDerWaalsContact CD1-OE1 3.24Å
13Y44.6Very low55.7Low205 Ų205107.6 Ų107.680%0.80456%0.555SS**  trans-61.294.2153.9-87.6-89.9000105.1T11 A15T11-Y13 PolarHBondContact O-N 3.22Å; Y13-A15 PolarHBondContact O-N 2.75Å
14I41.1Very low55.2Low118 Ų118106.4 Ų106.461%0.60555%0.553SS**THydrogen-bonded Turntrans-71.745.7169.7-48.3172.8000107.8I12I12-I14 HydrophobicContact CB-CG1 3.96Å; I12-I14 HydrophobicContact CG2-CG1 3.74Å; I12-I14 PolarHBondContact O-N 2.84Å
15A37.7Very low54.8Low84 Ų84105.5 Ų105.569%0.69455%0.549SS*.THydrogen-bonded Turntrans-78.3-12163.200000110.6Y13Y13-A15 PolarHBondContact O-N 2.75Å
16Y38.8Very low54.8Low144 Ų144106.9 Ų106.957%0.56556%0.558SS**SBendtrans-93.396.6161.8-88.3-92.5000108.6Q18 E20Y16-Q18 PolarHBondContact O-N 2.94Å; Y16-E20 HydrophobicContact CD1-CB 4.24Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.3Å; Y16-E20 WeakPolarHBondContact CE1-OE2 3.33Å
17N35.2Very low54.8Low109 Ų109100.9 Ų100.958%0.58354%0.537SS*.  trans-47135.6169.7-78.5-30.4000109.6S19 E20N17-S19 VanDerWaalsContact CB-OG 3.29Å; N17-S19 WeakPolarHBondContact CB-OG 3.35Å; N17-S19 PolarHBondContact O-N 2.95Å; N17-E20 PolarHBondContact O-N 3.33Å
18Q38.1Very low54.9Low180 Ų18099.4 Ų99.484%0.84153%0.526SS*.THydrogen-bonded Turntrans-46.1-19.7171.1-105.3165.4-30.900114.1Y16 E20Y16-Q18 PolarHBondContact O-N 2.94Å; Q18-E20 VanDerWaalsContact C-N 3.33Å; Q18-E20 PolarHBondContact O-N 3.34Å
19S39.2Very low55.2Low89 Ų8999 Ų9962%0.62252%0.524SS*.THydrogen-bonded Turntrans-67.4-22.3173.756.70000115N17N17-S19 VanDerWaalsContact CB-OG 3.29Å; N17-S19 WeakPolarHBondContact CB-OG 3.35Å; N17-S19 PolarHBondContact O-N 2.95Å
20E40Very low55.8Low106 Ų10697.5 Ų97.550%0.49551%0.511SS..SBendtrans-90.8-14.5178.3-71.5-160.4170.500114.1Y16 N17 Q18 A22 Y23Y16-E20 HydrophobicContact CD1-CB 4.24Å; Y16-E20 WeakPolarHBondContact CD1-OE2 3.3Å; Y16-E20 WeakPolarHBondContact CE1-OE2 3.33Å; N17-E20 PolarHBondContact O-N 3.33Å; Q18-E20 VanDerWaalsContact C-N 3.33Å; Q18-E20 PolarHBondContact O-N 3.34Å; E20-A22 PolarHBondContact O-N 3.24Å; E20-A22 VanDerWaalsContact O-N 3.14Å; E20-Y23 PolarHBondContact O-N 3.27Å
21L42.6Very low56.6Low155 Ų15596.7 Ų96.781%0.81251%0.505SS*.THydrogen-bonded Turntrans-63.2-21.5176.1-134.589.1000112.7
22A46.9Very low57.7Low83 Ų8392.9 Ų92.969%0.68648%0.482SS*.THydrogen-bonded Turntrans-96.9-9.817500000113.4E20 T24E20-A22 PolarHBondContact O-N 3.24Å; E20-A22 VanDerWaalsContact O-N 3.14Å; A22-T24 PolarHBondContact O-N 3.28Å; A22-T24 VanDerWaalsContact O-N 3.1Å
23Y52.6Low59.3Low148 Ų14893.6 Ų93.658%0.5849%0.485SS*.  trans-84.488.9177.2-169.5-100.7000108.6E20 P25 P26E20-Y23 PolarHBondContact O-N 3.27Å; Y23-P25 HydrophobicContact CE1-CB 4.23Å; Y23-P25 WeakPolarHBondContact O-CD 3.39Å; Y23-P26 VanDerWaalsContact OH-CD 3.22Å; Y23-P26 WeakPolarHBondContact OH-CD 3.3Å
24T58.1Low61.5Low44 Ų4485 Ų8527%0.2745%0.453SS..  trans-70.3113.1161.5-46.50000106.7A22 Y28 T86A22-T24 PolarHBondContact O-N 3.28Å; A22-T24 VanDerWaalsContact O-N 3.1Å; T24-Y28 HydrophobicContact CG2-CD2 4.27Å; T24-Y28 HydrophobicContact CG2-CG 4.4Å; T24-T86 HydrophobicContact CG2-CG2 4.17Å
25P67.9Low63.8Low30 Ų3079.4 Ų79.420%0.19542%0.424CS..  trans-53.6138.8179.6-9.85.2000110.2Y23 I27 Y28Y23-P25 HydrophobicContact CE1-CB 4.23Å; Y23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-I27 PolarHBondContact O-N 3.47Å; P25-Y28 HydrophobicContact CB-CD2 4.22Å; P25-Y28 HydrophobicContact CG-CD2 3.6Å; P25-Y28 HydrophobicContact CG-CE2 3.68Å; P25-Y28 PolarHBondContact O-N 3.25Å
26P77.4Confident66.3Low78 Ų7877.1 Ų77.151%0.50640%0.403SS..Hα-helixtrans-49.1-25.9178.2-3033.9000113.9Y23 Y28 I29 F30Y23-P26 VanDerWaalsContact OH-CD 3.22Å; Y23-P26 WeakPolarHBondContact OH-CD 3.3Å; P26-Y28 PolarHBondContact O-N 3.44Å; P26-I29 PolarHBondContact O-N 3.46Å; P26-F30 PolarHBondContact O-N 3.02Å
27I78.3Confident68.9Low31 Ų3174.2 Ų74.216%0.15940%0.396CS..Hα-helixtrans-60.2-39.9175.3-64.3163.7000112.5P25 F30 L31 L348 N351P25-I27 PolarHBondContact O-N 3.47Å; I27-F30 WeakPolarHBondContact O-CB 3.33Å; I27-F30 PolarHBondContact O-N 3.38Å; I27-L31 HydrophobicContact CG2-CD1 4.07Å; I27-L31 HydrophobicContact CG2-CG 4.4Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.36Å; I27-L31 PolarHBondContact O-N 2.84Å; I27-L348 HydrophobicContact CD1-CD1 3.89Å; I27-N351 HydrophobicContact CD1-CB 3.81Å; I27-N351 HydrophobicContact CG2-CB 3.98Å; I27-N351 WeakPolarHBondContact CG2-O 3.43Å
28Y79.5Confident71.6Confident30 Ų3069 Ų6912%0.11837%0.368CS..Hα-helixtrans-68.8-39177.2-74.3-69.2000111.7T24 P25 P26 F30 L31 V32 Y85T24-Y28 HydrophobicContact CG2-CD2 4.27Å; T24-Y28 HydrophobicContact CG2-CG 4.4Å; P25-Y28 HydrophobicContact CB-CD2 4.22Å; P25-Y28 HydrophobicContact CG-CD2 3.6Å; P25-Y28 HydrophobicContact CG-CE2 3.68Å; P25-Y28 PolarHBondContact O-N 3.25Å; P26-Y28 PolarHBondContact O-N 3.44Å; Y28-F30 VanDerWaalsContact C-N 3.29Å; Y28-F30 PolarHBondContact O-N 3.37Å; Y28-L31 HydrophobicContact CD1-CD1 4.42Å; Y28-L31 PolarHBondContact O-N 2.94Å; Y28-V32 WeakPolarHBondContact O-CB 3.04Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.33Å; Y28-V32 PolarHBondContact O-N 3.29Å; Y28-Y85 HydrophobicContact CE1-CD2 4.17Å
29I82.7Confident74.2Confident91 Ų9162.3 Ų62.347%0.46734%0.338SS..Hα-helixtrans-60.4-45173.5-57.7171.5000109.4P26 L31 V32 I33P26-I29 PolarHBondContact O-N 3.46Å; I29-L31 PolarHBondContact O-N 3.23Å; I29-V32 PolarHBondContact O-N 2.91Å; I29-I33 HydrophobicContact CG2-CD1 4.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.16Å; I29-I33 VanDerWaalsContact O-N 3.15Å
30F86Confident76.8Confident98 Ų9863 Ų6343%0.4333%0.334SS..Hα-helixtrans-59.7-44.3174.8-178.8-99.5000112.5P26 I27 Y28 I33 L34P26-F30 PolarHBondContact O-N 3.02Å; I27-F30 WeakPolarHBondContact O-CB 3.33Å; I27-F30 PolarHBondContact O-N 3.38Å; Y28-F30 VanDerWaalsContact C-N 3.29Å; Y28-F30 PolarHBondContact O-N 3.37Å; F30-I33 PolarHBondContact O-N 3.38Å; F30-L34 HydrophobicContact CD1-CD2 4.39Å; F30-L34 HydrophobicContact CE1-CB 4.29Å; F30-L34 HydrophobicContact CE1-CD2 3.49Å; F30-L34 VanDerWaalsContact CE1-CD2 3.49Å; F30-L34 HydrophobicContact CE1-CG 4.45Å; F30-L34 HydrophobicContact CZ-CB 4.47Å; F30-L34 HydrophobicContact CZ-CD2 3.75Å; F30-L34 VanDerWaalsContact O-CB 3.28Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.23Å
31L84.6Confident79.3Confident2 Ų260.7 Ų60.71%0.0132%0.324CS..Hα-helixtrans-65.3-39.5176.8-74.4171.2000112.5I27 Y28 I29 I33 L34 S35 I78 K354 V358I27-L31 HydrophobicContact CG2-CD1 4.07Å; I27-L31 HydrophobicContact CG2-CG 4.4Å; I27-L31 WeakPolarHBondContact O-CB 3.43Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.36Å; I27-L31 PolarHBondContact O-N 2.84Å; Y28-L31 HydrophobicContact CD1-CD1 4.42Å; Y28-L31 PolarHBondContact O-N 2.94Å; I29-L31 PolarHBondContact O-N 3.23Å; L31-I33 PolarHBondContact O-N 3.04Å; L31-L34 PolarHBondContact O-N 3.3Å; L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 3.23Å; L31-I78 HydrophobicContact CD2-CG2 4.33Å; L31-K354 HydrophobicContact CD1-CB 4.37Å; L31-V358 HydrophobicContact CD2-CG2 3.83Å
32V86Confident81.7Confident34 Ų3453.3 Ų53.321%0.20629%0.286CS..Hα-helixtrans-62.1-31.9175.7167.80000111.5Y28 I29 P36 T86Y28-V32 WeakPolarHBondContact O-CB 3.04Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.33Å; Y28-V32 PolarHBondContact O-N 3.29Å; I29-V32 PolarHBondContact O-N 2.91Å; V32-P36 WeakPolarHBondContact O-CD 3.4Å; V32-P36 WeakPolarHBondContact O-CG 3.47Å; V32-T86 HydrophobicContact CG2-CG2 3.8Å
33I88.5Confident83.9Confident106 Ų10651.8 Ų51.854%0.54427%0.269SS..Hα-helixtrans-83.8-45.6176.6-63.4168.8000111.4I29 F30 L31 P36 I37I29-I33 HydrophobicContact CG2-CD1 4.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.16Å; I29-I33 VanDerWaalsContact O-N 3.15Å; F30-I33 PolarHBondContact O-N 3.38Å; L31-I33 PolarHBondContact O-N 3.04Å; I33-P36 WeakPolarHBondContact O-CD 3.26Å; I33-I37 HydrophobicContact CG2-CD1 4.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.3Å
34L89.8Confident85.8Confident25 Ų2549.6 Ų49.613%0.13127%0.267CS..Hα-helixtrans-73.9-37.5-173.8-173.467.5000112.4F30 L31 I37 A38 V358 L359F30-L34 HydrophobicContact CD1-CD2 4.39Å; F30-L34 HydrophobicContact CE1-CB 4.29Å; F30-L34 HydrophobicContact CE1-CD2 3.49Å; F30-L34 VanDerWaalsContact CE1-CD2 3.49Å; F30-L34 HydrophobicContact CE1-CG 4.45Å; F30-L34 HydrophobicContact CZ-CB 4.47Å; F30-L34 HydrophobicContact CZ-CD2 3.75Å; F30-L34 VanDerWaalsContact O-CB 3.28Å; F30-L34 WeakPolarHBondContact O-CB 3.46Å; F30-L34 PolarHBondContact O-N 3.23Å; L31-L34 PolarHBondContact O-N 3.3Å; L34-I37 PolarHBondContact O-N 3.16Å; L34-A38 WeakPolarHBondContact O-CB 3.41Å; L34-A38 PolarHBondContact O-N 3.4Å; L34-V358 HydrophobicContact CB-CG1 4.38Å; L34-V358 HydrophobicContact CD2-CB 4.06Å; L34-V358 HydrophobicContact CD2-CG1 3.67Å; L34-V358 HydrophobicContact CG-CG1 3.68Å; L34-L359 HydrophobicContact CD1-CD2 4.44Å; L34-L359 HydrophobicContact CD2-CD2 3.75Å; L34-L359 HydrophobicContact CD2-CG 3.94Å
35S89.7Confident87.3Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-63.8-43.1-175.7-159.90000113.1L31 I37 A38 L39 N75 F79L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 3.23Å; S35-I37 PolarHBondContact O-N 3.46Å; S35-A38 PolarHBondContact O-N 2.95Å; S35-L39 VanDerWaalsContact O-CB 3.25Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.18Å; S35-N75 PolarHBondContact OG-O 3.32Å; S35-F79 PolarHBondContact OG-N 3.21Å
36P91.4Very high88.4Confident36 Ų3647.9 Ų47.923%0.23425%0.254CS..Hα-helixtrans-60.8-40.2171.5-27.136.3000113.6V32 I33 L39 I40 F79V32-P36 WeakPolarHBondContact O-CD 3.4Å; V32-P36 WeakPolarHBondContact O-CG 3.47Å; I33-P36 WeakPolarHBondContact O-CD 3.26Å; P36-L39 PolarHBondContact O-N 3.35Å; P36-I40 WeakPolarHBondContact O-CB 3.34Å; P36-I40 VanDerWaalsContact O-CG1 3.24Å; P36-I40 WeakPolarHBondContact O-CG1 3.07Å; P36-I40 PolarHBondContact O-N 3Å; P36-F79 HydrophobicContact CG-CD2 3.51Å; P36-F79 HydrophobicContact CG-CE2 3.5Å; P36-F79 VanDerWaalsContact CG-CE2 3.5Å; P36-F79 HydrophobicContact CG-CG 4.38Å; P36-F79 HydrophobicContact CG-CZ 4.36Å
37I92.4Very high89Confident83 Ų8347.2 Ų47.243%0.42625%0.249SC..Hα-helixtrans-63-48.4176.9-64.2170.3000109.5I33 L34 S35 L39 I40 I41I33-I37 HydrophobicContact CG2-CD1 4.28Å; I33-I37 WeakPolarHBondContact O-CG1 3.3Å; L34-I37 PolarHBondContact O-N 3.16Å; S35-I37 PolarHBondContact O-N 3.46Å; I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 PolarHBondContact O-N 2.94Å; I37-I40 PolarHBondContact O-N 3.1Å; I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.49Å; I37-I41 WeakPolarHBondContact O-CB 3.48Å; I37-I41 VanDerWaalsContact O-CG1 3.25Å; I37-I41 WeakPolarHBondContact O-CG1 3.29Å; I37-I41 PolarHBondContact O-N 3.3Å
38A91.7Very high89.5Confident0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-58.7-41.9175.700000111.6L34 S35 I41 S42 V358 C362L34-A38 WeakPolarHBondContact O-CB 3.41Å; L34-A38 PolarHBondContact O-N 3.4Å; S35-A38 PolarHBondContact O-N 2.95Å; A38-I41 PolarHBondContact O-N 3.16Å; A38-S42 WeakPolarHBondContact O-CB 3.34Å; A38-S42 PolarHBondContact O-N 2.9Å; A38-S42 PolarHBondContact O-OG 3.41Å; A38-V358 HydrophobicContact CB-CG1 3.73Å; A38-C362 WeakPolarHBondContact CB-SG 3.34Å
39L93.6Very high89.9Confident39 Ų3945 Ų4520%0.20424%0.24CC..Hα-helixtrans-63.6-48.5177.7-17566.6000111.5S35 P36 I37 I41 S42 C43 V72 N75S35-L39 VanDerWaalsContact O-CB 3.25Å; S35-L39 WeakPolarHBondContact O-CB 3.33Å; S35-L39 PolarHBondContact O-N 3.18Å; P36-L39 PolarHBondContact O-N 3.35Å; I37-L39 VanDerWaalsContact C-N 3.29Å; I37-L39 PolarHBondContact O-N 2.94Å; L39-I41 PolarHBondContact O-N 3.14Å; L39-S42 PolarHBondContact O-N 3.24Å; L39-C43 VanDerWaalsContact O-CB 3.3Å; L39-C43 WeakPolarHBondContact O-CB 3.27Å; L39-C43 PolarHBondContact O-N 3.31Å; L39-C43 PolarHBondContact O-SG 2.91Å; L39-V72 HydrophobicContact CD1-CB 4.49Å; L39-V72 HydrophobicContact CD1-CG1 3.88Å; L39-V72 WeakPolarHBondContact CD1-O 3.33Å; L39-N75 HydrophobicContact CB-CB 4.33Å; L39-N75 HydrophobicContact CD1-CB 4.34Å
40I93.2Very high90.1Very high104 Ų10444.1 Ų44.153%0.53324%0.239SC..Hα-helixtrans-58.8-49.1177.4-69.8164.5000110P36 I37 S42 C43 L44P36-I40 WeakPolarHBondContact O-CB 3.34Å; P36-I40 VanDerWaalsContact O-CG1 3.24Å; P36-I40 WeakPolarHBondContact O-CG1 3.07Å; P36-I40 PolarHBondContact O-N 3Å; I37-I40 PolarHBondContact O-N 3.1Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.1Å; I40-C43 PolarHBondContact O-N 2.96Å; I40-L44 HydrophobicContact CG2-CD1 4.09Å; I40-L44 HydrophobicContact CG2-CG 4.5Å; I40-L44 WeakPolarHBondContact O-CB 3.36Å; I40-L44 VanDerWaalsContact O-CG 3.28Å; I40-L44 WeakPolarHBondContact O-CG 3.28Å; I40-L44 PolarHBondContact O-N 3.45Å
41I92.7Very high90Very high58 Ų5843 Ų4330%0.29723%0.231SC..Hα-helixtrans-62.1-42.6-180-68.8172.2000110.7I37 A38 L39 L44 S45 V365I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.49Å; I37-I41 WeakPolarHBondContact O-CB 3.48Å; I37-I41 VanDerWaalsContact O-CG1 3.25Å; I37-I41 WeakPolarHBondContact O-CG1 3.29Å; I37-I41 PolarHBondContact O-N 3.3Å; A38-I41 PolarHBondContact O-N 3.16Å; L39-I41 PolarHBondContact O-N 3.14Å; I41-L44 PolarHBondContact O-N 3.46Å; I41-S45 WeakPolarHBondContact O-CB 3.43Å; I41-S45 PolarHBondContact O-N 3.47Å; I41-V365 HydrophobicContact CG2-CB 3.49Å; I41-V365 VanDerWaalsContact CG2-CB 3.49Å; I41-V365 HydrophobicContact CG2-CG1 3.32Å; I41-V365 HydrophobicContact CG2-CG2 3.85Å
42S92.5Very high89.4Confident0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-67.1-42.4178.3-58.20000111.8A38 L39 I40 S45 L46A38-S42 WeakPolarHBondContact O-CB 3.34Å; A38-S42 PolarHBondContact O-N 2.9Å; A38-S42 PolarHBondContact O-OG 3.41Å; L39-S42 PolarHBondContact O-N 3.24Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.1Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 3.17Å; S42-S45 VanDerWaalsContact O-N 3.16Å; S42-S45 PolarHBondContact O-OG 3.46Å; S42-L46 WeakPolarHBondContact O-CB 3.42Å; S42-L46 PolarHBondContact O-N 3.26Å
43C93.7Very high88.5Confident50 Ų5052.3 Ų52.334%0.33828%0.281SS..Hα-helixtrans-63.1-41.5174.9-760000112.3L39 I40 S45 L46 T47L39-C43 VanDerWaalsContact O-CB 3.3Å; L39-C43 WeakPolarHBondContact O-CB 3.27Å; L39-C43 PolarHBondContact O-N 3.31Å; L39-C43 PolarHBondContact O-SG 2.91Å; I40-C43 PolarHBondContact O-N 2.96Å; C43-S45 VanDerWaalsContact C-N 3.32Å; C43-L46 PolarHBondContact O-N 2.83Å; C43-T47 WeakPolarHBondContact O-CB 3.36Å; C43-T47 PolarHBondContact O-N 3.3Å; C43-T47 PolarHBondContact O-OG1 3.38Å
44L91.5Very high87.1Confident102 Ų10247.9 Ų47.953%0.53426%0.26SS..Hα-helixtrans-62-42.9172.4-72.2174.5000110.8I40 I41 L46 T47 V48I40-L44 HydrophobicContact CG2-CD1 4.09Å; I40-L44 HydrophobicContact CG2-CG 4.5Å; I40-L44 WeakPolarHBondContact O-CB 3.36Å; I40-L44 VanDerWaalsContact O-CG 3.28Å; I40-L44 WeakPolarHBondContact O-CG 3.28Å; I40-L44 PolarHBondContact O-N 3.45Å; I41-L44 PolarHBondContact O-N 3.46Å; L44-L46 PolarHBondContact O-N 3.39Å; L44-T47 PolarHBondContact O-N 3.13Å; L44-V48 VanDerWaalsContact O-CG2 3.23Å; L44-V48 WeakPolarHBondContact O-CG2 3.28Å; L44-V48 PolarHBondContact O-N 3.31Å
45S89.5Confident85.4Confident1 Ų152.4 Ų52.41%0.00728%0.283CS..Hα-helixtrans-62.3-42.717787.20000112.1I41 S42 C43 T47 V48 L49 T68I41-S45 WeakPolarHBondContact O-CB 3.43Å; I41-S45 PolarHBondContact O-N 3.47Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 3.17Å; S42-S45 VanDerWaalsContact O-N 3.16Å; S42-S45 PolarHBondContact O-OG 3.46Å; C43-S45 VanDerWaalsContact C-N 3.32Å; S45-T47 PolarHBondContact O-N 3.03Å; S45-V48 WeakPolarHBondContact O-CB 3.48Å; S45-V48 PolarHBondContact O-N 2.98Å; S45-L49 WeakPolarHBondContact O-CB 3.48Å; S45-L49 VanDerWaalsContact O-CG 3.25Å; S45-L49 WeakPolarHBondContact O-CG 3.3Å; S45-L49 PolarHBondContact O-N 3.34Å; S45-T68 WeakPolarHBondContact OG-CG2 3.36Å
46L92.2Very high83.8Confident37 Ų3762.1 Ų62.119%0.19432%0.319CS..Hα-helixtrans-62.8-45.3177-178.161.4000110.3S42 C43 L44 V48 L49 T50 I65 I69 V72S42-L46 WeakPolarHBondContact O-CB 3.42Å; S42-L46 PolarHBondContact O-N 3.26Å; C43-L46 PolarHBondContact O-N 2.83Å; L44-L46 PolarHBondContact O-N 3.39Å; L46-V48 VanDerWaalsContact C-N 3.31Å; L46-V48 PolarHBondContact O-N 2.71Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-L49 VanDerWaalsContact O-N 3.13Å; L46-T50 HydrophobicContact CD1-CG2 3.84Å; L46-T50 HydrophobicContact CG-CG2 4.17Å; L46-T50 WeakPolarHBondContact O-CB 3.4Å; L46-T50 VanDerWaalsContact O-CG2 3.26Å; L46-T50 WeakPolarHBondContact O-CG2 3.41Å; L46-T50 PolarHBondContact O-N 2.92Å; L46-T50 PolarHBondContact O-OG1 3.41Å; L46-I65 HydrophobicContact CD1-CG2 4.04Å; L46-I69 HydrophobicContact CD1-CD1 4.47Å; L46-I69 HydrophobicContact CD1-CG1 3.74Å; L46-I69 HydrophobicContact CD2-CG1 4.21Å; L46-V72 HydrophobicContact CD2-CG2 4.45Å
47T90.1Very high82.2Confident65 Ų6562.4 Ų62.440%0.39932%0.319SS..Hα-helixtrans-59.2-41.7176.1-56.90000111.9C43 L44 S45 T50 R51 L382C43-T47 WeakPolarHBondContact O-CB 3.36Å; C43-T47 PolarHBondContact O-N 3.3Å; C43-T47 PolarHBondContact O-OG1 3.38Å; L44-T47 PolarHBondContact O-N 3.13Å; S45-T47 PolarHBondContact O-N 3.03Å; T47-T50 PolarHBondContact O-OG1 3.42Å; T47-R51 WeakPolarHBondContact O-CG 3.26Å; T47-R51 PolarHBondContact O-N 3.46Å; T47-L382 HydrophobicContact CG2-CD1 4.37Å; T47-L382 HydrophobicContact CG2-CD2 4.39Å
48V88.3Confident80.9Confident6 Ų660.7 Ų60.74%0.03632%0.321CS..Hα-helixtrans-64.4-43.3175.5172.40000111L44 S45 L46 F375 E378 L382L44-V48 VanDerWaalsContact O-CG2 3.23Å; L44-V48 WeakPolarHBondContact O-CG2 3.28Å; L44-V48 PolarHBondContact O-N 3.31Å; S45-V48 WeakPolarHBondContact O-CB 3.48Å; S45-V48 PolarHBondContact O-N 2.98Å; L46-V48 VanDerWaalsContact C-N 3.31Å; L46-V48 PolarHBondContact O-N 2.71Å; V48-F375 HydrophobicContact CB-CD2 4.07Å; V48-F375 HydrophobicContact CB-CE2 3.72Å; V48-F375 HydrophobicContact CB-CZ 4.24Å; V48-F375 HydrophobicContact CG1-CD2 3.37Å; V48-F375 HydrophobicContact CG1-CE2 3.58Å; V48-F375 HydrophobicContact CG1-CG 3.94Å; V48-F375 HydrophobicContact CG1-CZ 4.28Å; V48-F375 HydrophobicContact CG2-CE2 4.34Å; V48-F375 HydrophobicContact CG2-CZ 4.38Å; V48-E378 HydrophobicContact CG1-CB 3.74Å; V48-L382 HydrophobicContact CB-CD1 4.38Å; V48-L382 HydrophobicContact CG2-CD1 3.4Å; V48-L382 VanDerWaalsContact CG2-CD1 3.4Å
49L87.5Confident79.8Confident8 Ų864 Ų644%0.04234%0.344CS..Hα-helixtrans-75.3-31-176-69.8171.2000113.2S45 L46 L57 R61 I65 T68 F375S45-L49 WeakPolarHBondContact O-CB 3.48Å; S45-L49 VanDerWaalsContact O-CG 3.25Å; S45-L49 WeakPolarHBondContact O-CG 3.3Å; S45-L49 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-L49 VanDerWaalsContact O-N 3.13Å; L49-L57 HydrophobicContact CD2-CD1 4.26Å; L49-R61 VanDerWaalsContact O-CZ 3.3Å; L49-R61 PolarHBondContact O-NE 2.88Å; L49-R61 PolarHBondContact O-NH2 3.44Å; L49-I65 HydrophobicContact CB-CG1 3.85Å; L49-T68 HydrophobicContact CD1-CG2 3.63Å; L49-F375 HydrophobicContact CD2-CD2 4.18Å; L49-F375 HydrophobicContact CD2-CE2 4.47Å; L49-F375 HydrophobicContact CG-CD2 4.38Å; L49-F375 HydrophobicContact CG-CE2 4.19Å
50T87.5Confident78.9Confident73 Ų7362.9 Ų62.945%0.44834%0.338SS..Hα-helixtrans-78.8-18.8179.954.90000113.3L46 T47 R61L46-T50 HydrophobicContact CD1-CG2 3.84Å; L46-T50 HydrophobicContact CG-CG2 4.17Å; L46-T50 WeakPolarHBondContact O-CB 3.4Å; L46-T50 VanDerWaalsContact O-CG2 3.26Å; L46-T50 WeakPolarHBondContact O-CG2 3.41Å; L46-T50 PolarHBondContact O-N 2.92Å; L46-T50 PolarHBondContact O-OG1 3.41Å; T47-T50 PolarHBondContact O-OG1 3.42Å; T50-R61 PolarHBondContact O-NH2 3.3Å
51R83.9Confident78.2Confident73 Ų7360 Ų6028%0.27532%0.321SS..SBendtrans-55.4132.5177.2-86.5-178.2169.1-153.6-6.2112.8T47 Q53 A54 R61 E378 L382T47-R51 WeakPolarHBondContact O-CG 3.26Å; T47-R51 PolarHBondContact O-N 3.46Å; R51-Q53 PolarHBondContact O-N 2.86Å; R51-A54 VanDerWaalsContact O-CB 3.26Å; R51-A54 WeakPolarHBondContact O-CB 3.35Å; R51-A54 PolarHBondContact O-N 3.39Å; R51-R61 PolarHBondContact O-NH2 3.5Å; R51-R61 VanDerWaalsContact O-NH2 3.09Å; R51-E378 IonicContact NH1-OE2 2.86Å; R51-E378 PolarHBondContact NH1-OE2 3.06Å; R51-L382 VanDerWaalsContact CZ-CD2 3.42Å
52P72.1Confident77.9Confident90 Ų9062.4 Ų62.458%0.58433%0.333SS*.G310 helixtrans-62.4-28.5-177.922.9-32.4000112.5A54 I55P52-A54 PolarHBondContact O-N 2.96Å; P52-I55 HydrophobicContact CB-CD1 4.32Å; P52-I55 WeakPolarHBondContact O-CB 3.47Å; P52-I55 WeakPolarHBondContact O-CD1 3.32Å; P52-I55 WeakPolarHBondContact O-CG1 3.29Å; P52-I55 PolarHBondContact O-N 3.36Å
53Q67.5Low77.6Confident143 Ų14363 Ų6367%0.66834%0.336SS*.G310 helixtrans-63.7-14.6176-63-174.7-2.600113.4R51 I55R51-Q53 PolarHBondContact O-N 2.86Å; Q53-I55 VanDerWaalsContact C-N 3.3Å; Q53-I55 PolarHBondContact O-N 2.92Å
54A59.3Low77.3Confident12 Ų1260.8 Ų60.810%0.09932%0.321CS..G310 helixtrans-82.13.1173.600000114.5R51 P52 R56 L57R51-A54 VanDerWaalsContact O-CB 3.26Å; R51-A54 WeakPolarHBondContact O-CB 3.35Å; R51-A54 PolarHBondContact O-N 3.39Å; P52-A54 PolarHBondContact O-N 2.96Å; A54-R56 PolarHBondContact O-N 3.39Å; A54-L57 HydrophobicContact CB-CD1 4.29Å; A54-L57 PolarHBondContact O-N 3.27Å; A54-L57 VanDerWaalsContact O-N 3.09Å
55I53.2Low77.3Confident120 Ų12057.3 Ų57.362%0.61530%0.303SS*.G310 helixtrans-44.8-30.2-178-81.4156.8000113.6P52 Q53 L57 G58P52-I55 HydrophobicContact CB-CD1 4.32Å; P52-I55 WeakPolarHBondContact O-CB 3.47Å; P52-I55 WeakPolarHBondContact O-CD1 3.32Å; P52-I55 WeakPolarHBondContact O-CG1 3.29Å; P52-I55 PolarHBondContact O-N 3.36Å; Q53-I55 VanDerWaalsContact C-N 3.3Å; Q53-I55 PolarHBondContact O-N 2.92Å; I55-L57 PolarHBondContact O-N 3.44Å; I55-L57 VanDerWaalsContact O-N 3.08Å; I55-G58 PolarHBondContact O-N 2.71Å
56R56.6Low77.4Confident205 Ų20558.5 Ų58.577%0.77431%0.31SS*.G310 helixtrans-74.35.4-176.7-153.5174.2-178.2-172.35.5115.3A54 G58 R374A54-R56 PolarHBondContact O-N 3.39Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-R374 VanDerWaalsContact C-NH1 3.26Å; R56-R374 PolarHBondContact O-NH1 3.26Å
57L56.9Low77.4Confident42 Ų4256.7 Ų56.722%0.2230%0.3CS..G310 helixtrans-77.7-11.1170.9-80.8159000113.2L49 A54 I55 R61L49-L57 HydrophobicContact CD2-CD1 4.26Å; A54-L57 HydrophobicContact CB-CD1 4.29Å; A54-L57 PolarHBondContact O-N 3.27Å; A54-L57 VanDerWaalsContact O-N 3.09Å; I55-L57 PolarHBondContact O-N 3.44Å; I55-L57 VanDerWaalsContact O-N 3.08Å; L57-R61 HydrophobicContact CB-CB 3.65Å; L57-R61 HydrophobicContact CB-CG 4.04Å; L57-R61 HydrophobicContact CD1-CG 4.34Å
58G66.7Low77.5Confident46 Ų4653.6 Ų53.647%0.47428%0.281SS..THydrogen-bonded Turntrans64.2-156.5175.500000113.4I55 R56 M60 R61I55-G58 PolarHBondContact O-N 2.71Å; R56-G58 VanDerWaalsContact C-N 3.3Å; G58-M60 PolarHBondContact O-N 2.92Å; G58-M60 VanDerWaalsContact O-N 3.14Å; G58-R61 WeakPolarHBondContact O-CB 3.33Å; G58-R61 PolarHBondContact O-N 3.38Å
59S67.6Low77.8Confident69 Ų6957 Ų5748%0.48330%0.299SS..THydrogen-bonded Turntrans-56.6-28.5-178.91660000114R61 I62S59-R61 PolarHBondContact O-N 2.89Å; S59-I62 PolarHBondContact O-N 2.89Å
60M73.7Confident78.1Confident17 Ų1757.5 Ų57.58%0.08430%0.3CS..Hα-helixtrans-65.2-26.5176.5-172.7-171.3175.600112.8G58 I62 N63 L64 I123 R127 I317G58-M60 PolarHBondContact O-N 2.92Å; G58-M60 VanDerWaalsContact O-N 3.14Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 PolarHBondContact O-N 3.35Å; M60-N63 PolarHBondContact O-N 3.01Å; M60-L64 HydrophobicContact CE-CD1 3.78Å; M60-L64 HydrophobicContact CE-CD2 3.97Å; M60-L64 HydrophobicContact CE-CG 3.91Å; M60-L64 HydrophobicContact CG-CD1 4.15Å; M60-L64 HydrophobicContact CG-CG 4.22Å; M60-L64 WeakPolarHBondContact O-CG 3.29Å; M60-L64 PolarHBondContact O-N 3.44Å; M60-L64 HydrophobicContact SD-CD1 4.28Å; M60-I123 HydrophobicContact CE-CG2 4.21Å; M60-R127 VanDerWaalsContact CB-NH2 3.3Å; M60-R127 PolarHBondContact SD-NH2 3.33Å; M60-I317 HydrophobicContact CE-CD1 3.13Å; M60-I317 HydrophobicContact CE-CG1 3.22Å; M60-I317 HydrophobicContact SD-CD1 3.51Å; M60-I317 VanDerWaalsContact SD-CD1 3.51Å; M60-I317 HydrophobicContact SD-CG1 4.28Å
61R80.4Confident78.4Confident43 Ų4354 Ų5416%0.16228%0.279CS..Hα-helixtrans-57-43.3178.4-170-175.5171.7-153.7-4.5111.5L49 T50 R51 L57 G58 S59 L64 I65L49-R61 VanDerWaalsContact O-CZ 3.3Å; L49-R61 PolarHBondContact O-NE 2.88Å; L49-R61 PolarHBondContact O-NH2 3.44Å; T50-R61 PolarHBondContact O-NH2 3.3Å; R51-R61 PolarHBondContact O-NH2 3.5Å; R51-R61 VanDerWaalsContact O-NH2 3.09Å; L57-R61 HydrophobicContact CB-CB 3.65Å; L57-R61 HydrophobicContact CB-CG 4.04Å; L57-R61 HydrophobicContact CD1-CG 4.34Å; G58-R61 WeakPolarHBondContact O-CB 3.33Å; G58-R61 PolarHBondContact O-N 3.38Å; S59-R61 PolarHBondContact O-N 2.89Å; R61-L64 PolarHBondContact O-N 2.86Å; R61-I65 HydrophobicContact CG-CD1 3.78Å; R61-I65 HydrophobicContact CG-CG1 4.34Å; R61-I65 WeakPolarHBondContact O-CB 3.46Å; R61-I65 VanDerWaalsContact O-CG1 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.24Å; R61-I65 PolarHBondContact O-N 2.84Å
62I85.1Confident78.9Confident109 Ų10951.9 Ų51.956%0.55927%0.274SS*.Hα-helixtrans-61.9-51.4-177.2-62.6171.7000109S59 M60 L64 I65 T66S59-I62 PolarHBondContact O-N 2.89Å; M60-I62 VanDerWaalsContact C-N 3.27Å; M60-I62 PolarHBondContact O-N 3.35Å; I62-L64 VanDerWaalsContact C-N 3.32Å; I62-L64 PolarHBondContact O-N 3.33Å; I62-I65 PolarHBondContact O-N 3.17Å; I62-I65 VanDerWaalsContact O-N 3.14Å; I62-T66 WeakPolarHBondContact O-CB 3.37Å; I62-T66 PolarHBondContact O-N 2.89Å; I62-T66 PolarHBondContact O-OG1 3.42Å
63N86.6Confident80Confident13 Ų1349.6 Ų49.67%0.0726%0.257CS..Hα-helixtrans-63.7-36.7179.9-63.8-5.4000112.7M60 T66 L67 T119 I123M60-N63 PolarHBondContact O-N 3.01Å; N63-T66 PolarHBondContact O-N 3.28Å; N63-L67 WeakPolarHBondContact O-CB 3.35Å; N63-L67 PolarHBondContact O-N 3.49Å; N63-T119 HydrophobicContact CB-CG2 4.45Å; N63-T119 VanDerWaalsContact O-CG2 3.31Å; N63-T119 WeakPolarHBondContact O-CG2 3.43Å; N63-I123 HydrophobicContact CB-CD1 3.77Å; N63-I123 HydrophobicContact CB-CG1 3.44Å; N63-I123 VanDerWaalsContact CB-CG1 3.44Å
64L88.1Confident81.2Confident2 Ų242.8 Ų42.81%0.0123%0.225CC..Hα-helixtrans-65.6-41.8173.8-76.3174.1000112.2M60 R61 I62 L67 T68 M316 Y368M60-L64 HydrophobicContact CE-CD1 3.78Å; M60-L64 HydrophobicContact CE-CD2 3.97Å; M60-L64 HydrophobicContact CE-CG 3.91Å; M60-L64 HydrophobicContact CG-CD1 4.15Å; M60-L64 HydrophobicContact CG-CG 4.22Å; M60-L64 WeakPolarHBondContact O-CG 3.29Å; M60-L64 PolarHBondContact O-N 3.44Å; M60-L64 HydrophobicContact SD-CD1 4.28Å; R61-L64 PolarHBondContact O-N 2.86Å; I62-L64 VanDerWaalsContact C-N 3.32Å; I62-L64 PolarHBondContact O-N 3.33Å; L64-L67 WeakPolarHBondContact O-CB 3.28Å; L64-L67 PolarHBondContact O-N 3.44Å; L64-T68 WeakPolarHBondContact O-CG2 3.37Å; L64-T68 PolarHBondContact O-N 2.85Å; L64-T68 PolarHBondContact O-OG1 3.12Å; L64-M316 HydrophobicContact CD1-CE 4.25Å; L64-M316 HydrophobicContact CD2-CE 4.42Å; L64-Y368 HydrophobicContact CD2-CE1 3.73Å
65I90.8Very high82.8Confident30 Ų3042.2 Ų42.215%0.15422%0.22CC..Hα-helixtrans-62-49.6175-72.7169.8000109.3L46 L49 R61 I62 L67 T68 I69L46-I65 HydrophobicContact CD1-CG2 4.04Å; L49-I65 HydrophobicContact CB-CG1 3.85Å; R61-I65 HydrophobicContact CG-CD1 3.78Å; R61-I65 HydrophobicContact CG-CG1 4.34Å; R61-I65 WeakPolarHBondContact O-CB 3.46Å; R61-I65 VanDerWaalsContact O-CG1 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.24Å; R61-I65 PolarHBondContact O-N 2.84Å; I62-I65 PolarHBondContact O-N 3.17Å; I62-I65 VanDerWaalsContact O-N 3.14Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 3.09Å; I65-T68 WeakPolarHBondContact CA-OG1 3.4Å; I65-T68 PolarHBondContact O-N 2.83Å; I65-T68 VanDerWaalsContact O-N 3.12Å; I65-T68 PolarHBondContact O-OG1 3.35Å; I65-I69 HydrophobicContact CG2-CD1 3.64Å; I65-I69 HydrophobicContact CG2-CG1 4.2Å; I65-I69 VanDerWaalsContact O-CG1 3.31Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 2.88Å
66T91.2Very high84.7Confident25 Ų2538.8 Ų38.815%0.15321%0.207CC..Hα-helixtrans-54.7-45.2176.4-59.10000111.2I62 N63 I69 F70 T119 T154 I158I62-T66 WeakPolarHBondContact O-CB 3.37Å; I62-T66 PolarHBondContact O-N 2.89Å; I62-T66 PolarHBondContact O-OG1 3.42Å; N63-T66 PolarHBondContact O-N 3.28Å; T66-I69 PolarHBondContact O-N 3.47Å; T66-F70 HydrophobicContact CG2-CD2 3.86Å; T66-F70 HydrophobicContact CG2-CE2 3.53Å; T66-F70 WeakPolarHBondContact O-CD2 3.26Å; T66-F70 PolarHBondContact O-N 2.86Å; T66-F70 VanDerWaalsContact O-N 3.1Å; T66-T119 HydrophobicContact CG2-CG2 4.3Å; T66-T154 HydrophobicContact CG2-CG2 4.24Å; T66-I158 HydrophobicContact CG2-CD1 4.02Å
67L92.6Very high86.4Confident0 Ų030.4 Ų30.40%018%0.177CC..Hα-helixtrans-58.2-51.1175.6-177.858.6000111.3N63 L64 I65 I69 F70 E71 R116 T119 I120 I123 L320 Y368N63-L67 WeakPolarHBondContact O-CB 3.35Å; N63-L67 PolarHBondContact O-N 3.49Å; L64-L67 WeakPolarHBondContact O-CB 3.28Å; L64-L67 PolarHBondContact O-N 3.44Å; I65-L67 VanDerWaalsContact C-N 3.28Å; I65-L67 PolarHBondContact O-N 3.09Å; L67-I69 VanDerWaalsContact C-N 3.32Å; L67-I69 PolarHBondContact O-N 3.29Å; L67-F70 PolarHBondContact O-N 3.4Å; L67-E71 WeakPolarHBondContact O-CG 3.29Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-R116 HydrophobicContact CD1-CB 4.4Å; L67-R116 HydrophobicContact CD1-CG 3.54Å; L67-T119 HydrophobicContact CB-CG2 3.88Å; L67-T119 HydrophobicContact CD1-CG2 4.48Å; L67-I120 HydrophobicContact CD1-CD1 4.02Å; L67-I120 HydrophobicContact CD1-CG1 3.61Å; L67-I120 HydrophobicContact CD2-CD1 4.49Å; L67-I120 HydrophobicContact CD2-CG1 3.87Å; L67-I120 HydrophobicContact CG-CG1 4.43Å; L67-I123 HydrophobicContact CD2-CD1 4.23Å; L67-L320 HydrophobicContact CD2-CD1 4.09Å; L67-L320 HydrophobicContact CD2-CD2 4.41Å; L67-Y368 VanDerWaalsContact CD2-OH 3.3Å; L67-Y368 WeakPolarHBondContact CD2-OH 3.33Å
68T92.8Very high87.9Confident0 Ų029.1 Ų29.10%017%0.17CC..Hα-helixtrans-65.8-30.5179530000113.8S45 L49 L64 I65 E71 V72 Y368S45-T68 WeakPolarHBondContact OG-CG2 3.36Å; L49-T68 HydrophobicContact CD1-CG2 3.63Å; L64-T68 WeakPolarHBondContact O-CG2 3.37Å; L64-T68 PolarHBondContact O-N 2.85Å; L64-T68 PolarHBondContact O-OG1 3.12Å; I65-T68 WeakPolarHBondContact CA-OG1 3.4Å; I65-T68 PolarHBondContact O-N 2.83Å; I65-T68 VanDerWaalsContact O-N 3.12Å; I65-T68 PolarHBondContact O-OG1 3.35Å; T68-E71 PolarHBondContact O-N 3.21Å; T68-V72 VanDerWaalsContact O-CG2 3.31Å; T68-V72 WeakPolarHBondContact O-CG2 3.49Å; T68-V72 PolarHBondContact O-N 3.22Å; T68-Y368 HydrophobicContact CG2-CE2 3.71Å
69I94.5Very high89.1Confident78 Ų7829.8 Ų29.840%0.416%0.16SC..Hα-helixtrans-64.5-45.1174-71.8168.9000109.7L46 I65 T66 L67 E71 V72 L73L46-I69 HydrophobicContact CD1-CD1 4.47Å; L46-I69 HydrophobicContact CD1-CG1 3.74Å; L46-I69 HydrophobicContact CD2-CG1 4.21Å; I65-I69 HydrophobicContact CG2-CD1 3.64Å; I65-I69 HydrophobicContact CG2-CG1 4.2Å; I65-I69 VanDerWaalsContact O-CG1 3.31Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 2.88Å; T66-I69 PolarHBondContact O-N 3.47Å; L67-I69 VanDerWaalsContact C-N 3.32Å; L67-I69 PolarHBondContact O-N 3.29Å; I69-E71 VanDerWaalsContact C-N 3.35Å; I69-V72 PolarHBondContact O-N 3.38Å; I69-L73 WeakPolarHBondContact O-CB 3.4Å; I69-L73 PolarHBondContact O-N 3.28Å
70F94.1Very high90.1Very high17 Ų1730 Ų308%0.07516%0.155CC..Hα-helixtrans-69.4-31.9177.1-72.4-60.3000112.8T66 L67 L73 L74 A112 R116 I158 F162T66-F70 HydrophobicContact CG2-CD2 3.86Å; T66-F70 HydrophobicContact CG2-CE2 3.53Å; T66-F70 WeakPolarHBondContact O-CD2 3.26Å; T66-F70 PolarHBondContact O-N 2.86Å; T66-F70 VanDerWaalsContact O-N 3.1Å; L67-F70 PolarHBondContact O-N 3.4Å; F70-L73 HydrophobicContact CD1-CD2 4.1Å; F70-L73 HydrophobicContact CE1-CD2 4.36Å; F70-L73 PolarHBondContact O-N 2.85Å; F70-L74 WeakPolarHBondContact O-CB 3.26Å; F70-L74 PolarHBondContact O-N 3.47Å; F70-A112 HydrophobicContact CD1-CB 4.24Å; F70-R116 HydrophobicContact CB-CB 4.31Å; F70-I158 HydrophobicContact CE1-CG2 4.47Å; F70-I158 HydrophobicContact CE2-CD1 3.6Å; F70-I158 HydrophobicContact CE2-CG1 3.73Å; F70-I158 HydrophobicContact CZ-CB 4.39Å; F70-I158 HydrophobicContact CZ-CD1 3.79Å; F70-I158 HydrophobicContact CZ-CG1 3.77Å; F70-I158 HydrophobicContact CZ-CG2 3.71Å; F70-F162 AromaticContact CE1-CE2 3.85Å; F70-F162 HydrophobicContact CE1-CE2 3.85Å; F70-F162 HydrophobicContact CE1-CZ 4.22Å; F70-F162 HydrophobicContact CZ-CE2 4.45Å
71E93.2Very high90.7Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-63.7-44.4170.6-71.2170.3171.100111.9L67 T68 I69 L74 N75 N364L67-E71 WeakPolarHBondContact O-CG 3.29Å; L67-E71 PolarHBondContact O-N 2.84Å; T68-E71 PolarHBondContact O-N 3.21Å; I69-E71 VanDerWaalsContact C-N 3.35Å; E71-L74 PolarHBondContact O-N 3.28Å; E71-N75 WeakPolarHBondContact O-CB 3.31Å; E71-N75 PolarHBondContact O-N 3.3Å; E71-N75 PolarHBondContact O-ND2 3.48Å; E71-N364 VanDerWaalsContact OE1-CB 3.28Å; E71-N364 WeakPolarHBondContact OE1-CB 3.48Å; E71-N364 PolarHBondContact OE1-ND2 2.83Å
72V94.7Very high90.9Very high29 Ų2928.6 Ų28.618%0.17615%0.151CC..Hα-helixtrans-61.3-47.6174.4169.10000110.4L39 L46 T68 I69 L74 N75 S76L39-V72 HydrophobicContact CD1-CB 4.49Å; L39-V72 HydrophobicContact CD1-CG1 3.88Å; L39-V72 WeakPolarHBondContact CD1-O 3.33Å; L46-V72 HydrophobicContact CD2-CG2 4.45Å; T68-V72 VanDerWaalsContact O-CG2 3.31Å; T68-V72 WeakPolarHBondContact O-CG2 3.49Å; T68-V72 PolarHBondContact O-N 3.22Å; I69-V72 PolarHBondContact O-N 3.38Å; V72-L74 PolarHBondContact O-N 2.93Å; V72-N75 PolarHBondContact O-N 2.87Å; V72-S76 WeakPolarHBondContact O-CB 3.39Å; V72-S76 PolarHBondContact O-N 3.44Å
73L94.1Very high90.9Very high41 Ų4126.6 Ų26.622%0.21514%0.141CC..Hα-helixtrans-60.7-46.1179.3-175.862.3000111.4I69 F70 S76 M77 F108 A112 F162I69-L73 WeakPolarHBondContact O-CB 3.4Å; I69-L73 PolarHBondContact O-N 3.28Å; F70-L73 HydrophobicContact CD1-CD2 4.1Å; F70-L73 HydrophobicContact CE1-CD2 4.36Å; F70-L73 PolarHBondContact O-N 2.85Å; L73-S76 PolarHBondContact O-N 2.84Å; L73-M77 HydrophobicContact CD1-CE 3.87Å; L73-M77 VanDerWaalsContact O-CG 3.23Å; L73-M77 WeakPolarHBondContact O-CG 3.38Å; L73-M77 PolarHBondContact O-N 2.8Å; L73-F108 HydrophobicContact CD1-CD1 4.13Å; L73-F108 HydrophobicContact CD2-CD1 4.08Å; L73-F108 HydrophobicContact CG-CD1 4.42Å; L73-A112 HydrophobicContact CD2-CB 4.19Å; L73-A112 HydrophobicContact CG-CB 4.36Å; L73-F162 HydrophobicContact CD2-CZ 4.34Å
74L92.8Very high90.7Very high0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-61.5-52.5178.7-179.563.5000111.7F70 E71 V72 S76 M77 I78 I109 A112 L113 V357F70-L74 WeakPolarHBondContact O-CB 3.26Å; F70-L74 PolarHBondContact O-N 3.47Å; E71-L74 PolarHBondContact O-N 3.28Å; V72-L74 PolarHBondContact O-N 2.93Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.47Å; L74-M77 PolarHBondContact O-N 2.91Å; L74-I78 HydrophobicContact CD1-CD1 3.87Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CG-CD1 3.81Å; L74-I78 WeakPolarHBondContact O-CB 3.17Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.8Å; L74-I109 HydrophobicContact CD1-CB 4.48Å; L74-I109 HydrophobicContact CD1-CG2 4.02Å; L74-A112 HydrophobicContact CB-CB 4.15Å; L74-A112 HydrophobicContact CD1-CB 4.44Å; L74-L113 HydrophobicContact CD1-CD1 4.5Å; L74-L113 HydrophobicContact CD1-CD2 3.75Å; L74-L113 HydrophobicContact CD1-CG 3.71Å; L74-L113 HydrophobicContact CD2-CD2 3.6Å; L74-L113 HydrophobicContact CD2-CG 4.38Å; L74-L113 HydrophobicContact CG-CD2 4.33Å; L74-V357 HydrophobicContact CD2-CG1 3.64Å
75N92.4Very high90.2Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-65.8-32.8180-69.3-52.5000111.8S35 L39 E71 V72 F79 S361S35-N75 PolarHBondContact OG-O 3.32Å; L39-N75 HydrophobicContact CB-CB 4.33Å; L39-N75 HydrophobicContact CD1-CB 4.34Å; E71-N75 WeakPolarHBondContact O-CB 3.31Å; E71-N75 PolarHBondContact O-N 3.3Å; E71-N75 PolarHBondContact O-ND2 3.48Å; V72-N75 PolarHBondContact O-N 2.87Å; N75-F79 WeakPolarHBondContact O-CB 3.41Å; N75-F79 PolarHBondContact O-N 3.4Å; N75-S361 WeakPolarHBondContact ND2-CB 3.4Å; N75-S361 PolarHBondContact ND2-OG 3.21Å
76S93Very high89.6Confident49 Ų4932.6 Ų32.634%0.34317%0.168SC..Hα-helixtrans-64.9-42.5173.9-172.60000111.7V72 L73 L74 L80V72-S76 WeakPolarHBondContact O-CB 3.39Å; V72-S76 PolarHBondContact O-N 3.44Å; L73-S76 PolarHBondContact O-N 2.84Å; L74-S76 VanDerWaalsContact C-N 3.28Å; L74-S76 PolarHBondContact O-N 3.47Å; S76-L80 WeakPolarHBondContact O-CB 3.18Å; S76-L80 PolarHBondContact O-N 3.05Å
77M92.3Very high89.1Confident28 Ų2834.5 Ų34.514%0.13818%0.179CC..Hα-helixtrans-74.4-38.1179.8-64.8-67.3166.100112.1L73 L74 F79 L80 I81 F108 I109L73-M77 HydrophobicContact CD1-CE 3.87Å; L73-M77 VanDerWaalsContact O-CG 3.23Å; L73-M77 WeakPolarHBondContact O-CG 3.38Å; L73-M77 PolarHBondContact O-N 2.8Å; L74-M77 PolarHBondContact O-N 2.91Å; M77-F79 VanDerWaalsContact C-N 3.31Å; M77-F79 PolarHBondContact O-N 3.27Å; M77-L80 PolarHBondContact O-N 2.82Å; M77-I81 WeakPolarHBondContact O-CG2 3.26Å; M77-I81 PolarHBondContact O-N 3.44Å; M77-F108 HydrophobicContact CE-CB 4.1Å; M77-F108 HydrophobicContact CE-CD1 4.3Å; M77-F108 HydrophobicContact CE-CD2 4.14Å; M77-F108 HydrophobicContact CE-CG 3.93Å; M77-F108 HydrophobicContact CG-CB 3.8Å; M77-F108 HydrophobicContact SD-CB 4Å; M77-F108 HydrophobicContact SD-CG 4.4Å; M77-I109 HydrophobicContact CB-CD1 4.17Å; M77-I109 HydrophobicContact CB-CG1 3.61Å
78I89.7Confident87.8Confident15 Ų1539.3 Ų39.38%0.07721%0.205CC..Hα-helixtrans-62.3-41.1172.5-69.4171.4000110.5L31 L74 I81 S82 I109 V358L31-I78 HydrophobicContact CD2-CG2 4.33Å; L74-I78 HydrophobicContact CD1-CD1 3.87Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-I78 HydrophobicContact CG-CD1 3.81Å; L74-I78 WeakPolarHBondContact O-CB 3.17Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.46Å; L74-I78 PolarHBondContact O-N 2.8Å; I78-I81 VanDerWaalsContact O-CG2 3.28Å; I78-I81 WeakPolarHBondContact O-CG2 3.45Å; I78-S82 VanDerWaalsContact O-CB 3.23Å; I78-S82 WeakPolarHBondContact O-CB 3.48Å; I78-S82 PolarHBondContact O-N 3.47Å; I78-S82 PolarHBondContact O-OG 2.98Å; I78-I109 HydrophobicContact CG1-CD1 4.37Å; I78-I109 HydrophobicContact CG1-CG1 4.48Å; I78-V358 HydrophobicContact CD1-CG2 3.86Å; I78-V358 HydrophobicContact CG2-CG2 4.11Å
79F90.6Very high85.9Confident61 Ų6144.3 Ų44.327%0.26823%0.227SC..Hα-helixtrans-62.9-48174.4175.4-111.3000111.1S35 P36 N75 M77 I81 S82 L83S35-F79 PolarHBondContact OG-N 3.21Å; P36-F79 HydrophobicContact CG-CD2 3.51Å; P36-F79 HydrophobicContact CG-CE2 3.5Å; P36-F79 VanDerWaalsContact CG-CE2 3.5Å; P36-F79 HydrophobicContact CG-CG 4.38Å; P36-F79 HydrophobicContact CG-CZ 4.36Å; N75-F79 WeakPolarHBondContact O-CB 3.41Å; N75-F79 PolarHBondContact O-N 3.4Å; M77-F79 VanDerWaalsContact C-N 3.31Å; M77-F79 PolarHBondContact O-N 3.27Å; F79-I81 PolarHBondContact O-N 3.28Å; F79-S82 PolarHBondContact O-N 3.09Å; F79-L83 HydrophobicContact CE1-CD2 4.31Å; F79-L83 HydrophobicContact CZ-CD2 4.3Å; F79-L83 VanDerWaalsContact O-CB 3.28Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.34Å
80L89.2Confident83.9Confident72 Ų7246.1 Ų46.138%0.37724%0.244SC..Hα-helixtrans-59.5-47.1-179.4-177.261.6000112.1S76 M77 F84S76-L80 WeakPolarHBondContact O-CB 3.18Å; S76-L80 PolarHBondContact O-N 3.05Å; M77-L80 PolarHBondContact O-N 2.82Å; L80-F84 WeakPolarHBondContact O-CB 3.42Å; L80-F84 PolarHBondContact O-N 2.88Å
81I86.3Confident82.1Confident30 Ų3050 Ų5015%0.15427%0.266CS..Hα-helixtrans-66.7-40.6178.6-163167000111.4M77 I78 F79 F84 Y85 C105 I109M77-I81 WeakPolarHBondContact O-CG2 3.26Å; M77-I81 PolarHBondContact O-N 3.44Å; I78-I81 VanDerWaalsContact O-CG2 3.28Å; I78-I81 WeakPolarHBondContact O-CG2 3.45Å; F79-I81 PolarHBondContact O-N 3.28Å; I81-F84 PolarHBondContact O-N 2.94Å; I81-Y85 HydrophobicContact CD1-CE2 4.13Å; I81-Y85 HydrophobicContact CG1-CD2 3.92Å; I81-Y85 HydrophobicContact CG1-CE2 3.69Å; I81-Y85 WeakPolarHBondContact O-CD2 3.23Å; I81-Y85 PolarHBondContact O-N 2.96Å; I81-C105 HydrophobicContact CB-CB 4.39Å; I81-C105 HydrophobicContact CD1-CB 4.27Å; I81-I109 HydrophobicContact CG2-CD1 4.18Å
82S84.6Confident80.4Confident2 Ų252.9 Ų52.91%0.01428%0.281CS..Hα-helixtrans-66.9-42.8179.4-55.20000111.4I78 F79 F84 Y85 T86I78-S82 VanDerWaalsContact O-CB 3.23Å; I78-S82 WeakPolarHBondContact O-CB 3.48Å; I78-S82 PolarHBondContact O-N 3.47Å; I78-S82 PolarHBondContact O-OG 2.98Å; F79-S82 PolarHBondContact O-N 3.09Å; S82-F84 VanDerWaalsContact C-N 3.3Å; S82-F84 PolarHBondContact O-N 2.99Å; S82-Y85 PolarHBondContact O-N 2.96Å; S82-T86 WeakPolarHBondContact O-CG2 3.37Å; S82-T86 PolarHBondContact O-N 3.04Å; S82-T86 PolarHBondContact O-OG1 3.43Å
83L84.9Confident78.4Confident66 Ų6660.7 Ų60.735%0.34632%0.315SS..Hα-helixtrans-56.8-48.7174-176.868.1000109.9F79 Y85 T86 T87F79-L83 HydrophobicContact CE1-CD2 4.31Å; F79-L83 HydrophobicContact CZ-CD2 4.3Å; F79-L83 VanDerWaalsContact O-CB 3.28Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.34Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.02Å; L83-T86 WeakPolarHBondContact CA-OG1 3.36Å; L83-T86 PolarHBondContact O-N 3.14Å; L83-T86 PolarHBondContact O-OG1 3.48Å; L83-T87 HydrophobicContact CD1-CG2 3.94Å; L83-T87 HydrophobicContact CG-CG2 4.18Å; L83-T87 WeakPolarHBondContact O-CG2 3.41Å; L83-T87 PolarHBondContact O-N 3.21Å; L83-T87 PolarHBondContact O-OG1 3.39Å; L83-T87 VanDerWaalsContact O-OG1 3.12Å
84F82.8Confident76.9Confident31 Ų3162.9 Ų62.914%0.13632%0.324CS..Hα-helixtrans-60.5-39-179.8-168-84.7000113.2L80 I81 S82 F89 K98 I101L80-F84 WeakPolarHBondContact O-CB 3.42Å; L80-F84 PolarHBondContact O-N 2.88Å; I81-F84 PolarHBondContact O-N 2.94Å; S82-F84 VanDerWaalsContact C-N 3.3Å; S82-F84 PolarHBondContact O-N 2.99Å; F84-F89 HydrophobicContact CD2-CD2 4.21Å; F84-F89 HydrophobicContact CD2-CE2 4.13Å; F84-F89 AromaticContact CE2-CD2 3.77Å; F84-F89 HydrophobicContact CE2-CD2 3.77Å; F84-F89 AromaticContact CE2-CE2 3.99Å; F84-F89 HydrophobicContact CE2-CE2 3.99Å; F84-F89 HydrophobicContact CZ-CD2 4.14Å; F84-K98 HydrophobicContact CE1-CB 4.04Å; F84-K98 HydrophobicContact CE1-CD 3.48Å; F84-K98 VanDerWaalsContact CE1-CD 3.48Å; F84-K98 HydrophobicContact CE1-CG 3.36Å; F84-K98 HydrophobicContact CZ-CB 3.54Å; F84-K98 HydrophobicContact CZ-CD 3.68Å; F84-K98 HydrophobicContact CZ-CG 3.44Å; F84-K98 VanDerWaalsContact CZ-CG 3.44Å; F84-I101 HydrophobicContact CD2-CD1 4.42Å; F84-I101 HydrophobicContact CE2-CD1 4.41Å
85Y77.8Confident75.9Confident95 Ų9564.3 Ų64.337%0.37333%0.332SS..Hα-helixtrans-67.2-37.2173.3-86.1-71000112.6Y28 I81 S82 L83Y28-Y85 HydrophobicContact CE1-CD2 4.17Å; I81-Y85 HydrophobicContact CD1-CE2 4.13Å; I81-Y85 HydrophobicContact CG1-CD2 3.92Å; I81-Y85 HydrophobicContact CG1-CE2 3.69Å; I81-Y85 WeakPolarHBondContact O-CD2 3.23Å; I81-Y85 PolarHBondContact O-N 2.96Å; S82-Y85 PolarHBondContact O-N 2.96Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.02Å
86T78.9Confident75Confident45 Ų4569.9 Ų69.928%0.27636%0.361SS..Hα-helixtrans-78.3-30.1-17955.10000114.5T24 V32 S82 L83 N88T24-T86 HydrophobicContact CG2-CG2 4.17Å; V32-T86 HydrophobicContact CG2-CG2 3.8Å; S82-T86 WeakPolarHBondContact O-CG2 3.37Å; S82-T86 PolarHBondContact O-N 3.04Å; S82-T86 PolarHBondContact O-OG1 3.43Å; L83-T86 WeakPolarHBondContact CA-OG1 3.36Å; L83-T86 PolarHBondContact O-N 3.14Å; L83-T86 PolarHBondContact O-OG1 3.48Å; T86-N88 PolarHBondContact O-N 3.44Å
87T79.1Confident74.5Confident65 Ų6574.1 Ų74.140%0.39937%0.371SS..THydrogen-bonded Turntrans-80.24.1-174.754.30000113.9L83 F89L83-T87 HydrophobicContact CD1-CG2 3.94Å; L83-T87 HydrophobicContact CG-CG2 4.18Å; L83-T87 WeakPolarHBondContact O-CG2 3.41Å; L83-T87 PolarHBondContact O-N 3.21Å; L83-T87 PolarHBondContact O-OG1 3.39Å; L83-T87 VanDerWaalsContact O-OG1 3.12Å; T87-F89 VanDerWaalsContact C-N 3.32Å; T87-F89 PolarHBondContact O-N 3Å; T87-F89 WeakPolarHBondContact OG1-CE2 3.27Å
88N65.3Low73.9Confident101 Ų10177.4 Ų77.454%0.5438%0.384SS..  trans30.562.2173.3-87.5-14.4000112.6T86 P90T86-N88 PolarHBondContact O-N 3.44Å; N88-P90 WeakPolarHBondContact O-CD 3.3Å
89F54.7Low73.4Confident106 Ų10677.6 Ų77.647%0.46539%0.386SS..  trans-58.1110.8176.5-78.1-78.2000107.9F84 T87 N91F84-F89 HydrophobicContact CD2-CD2 4.21Å; F84-F89 HydrophobicContact CD2-CE2 4.13Å; F84-F89 AromaticContact CE2-CD2 3.77Å; F84-F89 HydrophobicContact CE2-CD2 3.77Å; F84-F89 AromaticContact CE2-CE2 3.99Å; F84-F89 HydrophobicContact CE2-CE2 3.99Å; F84-F89 HydrophobicContact CZ-CD2 4.14Å; T87-F89 VanDerWaalsContact C-N 3.32Å; T87-F89 PolarHBondContact O-N 3Å; T87-F89 WeakPolarHBondContact OG1-CE2 3.27Å; F89-N91 PolarHBondContact O-N 3.44Å
90P52.6Low73.2Confident115 Ų11579 Ų7975%0.74740%0.395SS*.  trans-83.5-1-168.331.3-30.4000112.9N88 D92N88-P90 WeakPolarHBondContact O-CD 3.3Å; P90-D92 PolarHBondContact O-N 3.19Å
91N54.7Low73.1Confident100 Ų10076.8 Ų76.854%0.53538%0.383SS..  trans-93.9107.7-174.1-66.8-1.9000110.6F89 E93 Q94F89-N91 PolarHBondContact O-N 3.44Å; N91-E93 PolarHBondContact O-N 2.93Å; N91-Q94 PolarHBondContact O-N 3.43Å; N91-Q94 VanDerWaalsContact O-N 3.11Å
92D57.3Low73Confident59 Ų5977.7 Ų77.732%0.31639%0.387SS..G310 helixtrans-51.7-23.7171.7-90.8-41.4000112.5P90 Q94 N95 R183P90-D92 PolarHBondContact O-N 3.19Å; D92-Q94 PolarHBondContact O-N 2.82Å; D92-N95 PolarHBondContact O-N 2.88Å; D92-N95 PolarHBondContact O-ND2 3.48Å; D92-R183 IonicContact OD1-CZ 3.72Å; D92-R183 IonicContact OD1-NE 3.86Å; D92-R183 PolarHBondContact OD1-NE 2.98Å; D92-R183 IonicContact OD1-NH2 3.6Å; D92-R183 PolarHBondContact OD1-NH2 2.73Å; D92-R183 IonicContact OD2-CZ 2.62Å; D92-R183 IonicContact OD2-NE 2.71Å; D92-R183 IonicContact OD2-NH2 3.38Å; D92-R183 PolarHBondContact OD2-NH2 3.2Å
93E54.2Low73.1Confident193 Ų19379 Ų7990%0.90239%0.394SS*.G310 helixtrans-67.1-15.6178.4-64.1-165.116300114.7N91N91-E93 PolarHBondContact O-N 2.93Å
94Q61.4Low73.3Confident88 Ų8878.6 Ų78.641%0.41139%0.394SS..G310 helixtrans-98.516.5-179.7-65.9-172.5-7.600114.1N91 D92 L96 Y97 K98N91-Q94 PolarHBondContact O-N 3.43Å; N91-Q94 VanDerWaalsContact O-N 3.11Å; D92-Q94 PolarHBondContact O-N 2.82Å; Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 3.2Å; Q94-Y97 PolarHBondContact O-N 3.07Å; Q94-K98 WeakPolarHBondContact O-CB 3.35Å; Q94-K98 PolarHBondContact O-N 3.27Å
95N71.3Confident73.7Confident30 Ų3077.1 Ų77.116%0.1639%0.388CS..Hα-helixtrans-57.2-35.9-176.9-79.1-22.6000113.8D92 T99D92-N95 PolarHBondContact O-N 2.88Å; D92-N95 PolarHBondContact O-ND2 3.48Å; N95-T99 WeakPolarHBondContact O-CB 3.41Å; N95-T99 PolarHBondContact O-N 2.64Å; N95-T99 PolarHBondContact O-OG1 2.87Å
96L75.3Confident74.2Confident117 Ų11774.6 Ų74.661%0.61338%0.379SS*.Hα-helixtrans-69-47.3178.3-172151.1000111.9Q94 K98 T99 I100Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 3.2Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.84Å; L96-T99 PolarHBondContact O-N 2.99Å; L96-I100 HydrophobicContact CD2-CD1 3.41Å; L96-I100 VanDerWaalsContact CD2-CD1 3.41Å; L96-I100 HydrophobicContact CD2-CG1 4.13Å; L96-I100 HydrophobicContact CG-CD1 4.45Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.47Å
97Y82.1Confident74.7Confident138 Ų13874.5 Ų74.554%0.54138%0.376SS..Hα-helixtrans-61.3-43.9177.8176.8-106.2000111.6Q94 T99 I100 I101Q94-Y97 PolarHBondContact O-N 3.07Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; Y97-T99 PolarHBondContact O-N 2.83Å; Y97-I100 PolarHBondContact O-N 3.37Å; Y97-I101 HydrophobicContact CD1-CD1 3.88Å; Y97-I101 HydrophobicContact CD2-CD1 4.45Å; Y97-I101 HydrophobicContact CE1-CD1 3.25Å; Y97-I101 HydrophobicContact CE1-CG1 4.33Å; Y97-I101 HydrophobicContact CE2-CD1 3.91Å; Y97-I101 HydrophobicContact CE2-CG1 4.33Å; Y97-I101 HydrophobicContact CG-CD1 4.45Å; Y97-I101 PolarHBondContact O-N 3.44Å; Y97-I101 WeakPolarHBondContact OH-CD1 3.12Å
98K78.7Confident75.4Confident97 Ų9775 Ų7542%0.42237%0.373SS..Hα-helixtrans-54.3-47.6172.5172.3161.7-179.9175.60111.9F84 Q94 L96 I101 H102F84-K98 HydrophobicContact CE1-CB 4.04Å; F84-K98 HydrophobicContact CE1-CD 3.48Å; F84-K98 VanDerWaalsContact CE1-CD 3.48Å; F84-K98 HydrophobicContact CE1-CG 3.36Å; F84-K98 HydrophobicContact CZ-CB 3.54Å; F84-K98 HydrophobicContact CZ-CD 3.68Å; F84-K98 HydrophobicContact CZ-CG 3.44Å; F84-K98 VanDerWaalsContact CZ-CG 3.44Å; Q94-K98 WeakPolarHBondContact O-CB 3.35Å; Q94-K98 PolarHBondContact O-N 3.27Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.84Å; K98-I101 PolarHBondContact O-N 2.95Å; K98-H102 WeakPolarHBondContact O-CB 3.36Å; K98-H102 PolarHBondContact O-N 3.31Å
99T79.4Confident76.7Confident18 Ų1871.7 Ų71.711%0.1136%0.355CS..Hα-helixtrans-65.4-44.2-179.8-57.60000111.3N95 L96 Y97 I101 H102 I103 I184N95-T99 WeakPolarHBondContact O-CB 3.41Å; N95-T99 PolarHBondContact O-N 2.64Å; N95-T99 PolarHBondContact O-OG1 2.87Å; L96-T99 PolarHBondContact O-N 2.99Å; Y97-T99 VanDerWaalsContact C-N 3.32Å; Y97-T99 PolarHBondContact O-N 2.83Å; T99-I101 PolarHBondContact O-N 3.49Å; T99-H102 PolarHBondContact O-N 3.45Å; T99-I103 HydrophobicContact CG2-CD1 3.76Å; T99-I103 HydrophobicContact CG2-CG1 4.31Å; T99-I103 WeakPolarHBondContact O-CB 3.19Å; T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.24Å; T99-I103 PolarHBondContact O-N 3.47Å; T99-I184 HydrophobicContact CG2-CG2 4.26Å
100I85.8Confident78.3Confident90 Ų9066.9 Ų66.946%0.46234%0.335SS..Hα-helixtrans-60.7-45.7177-69.3178.6000111.4L96 Y97 H102 I103 T104L96-I100 HydrophobicContact CD2-CD1 3.41Å; L96-I100 VanDerWaalsContact CD2-CD1 3.41Å; L96-I100 HydrophobicContact CD2-CG1 4.13Å; L96-I100 HydrophobicContact CG-CD1 4.45Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.47Å; Y97-I100 PolarHBondContact O-N 3.37Å; I100-H102 VanDerWaalsContact C-N 3.33Å; I100-H102 PolarHBondContact O-N 2.82Å; I100-I103 PolarHBondContact O-N 3.06Å; I100-T104 VanDerWaalsContact O-CB 3.3Å; I100-T104 WeakPolarHBondContact O-CB 3.23Å; I100-T104 PolarHBondContact O-N 3.03Å; I100-T104 PolarHBondContact O-OG1 3.28Å
101I86.8Confident80.3Confident26 Ų2661.4 Ų61.413%0.13330%0.3CS..Hα-helixtrans-60.5-46.2176.4-73.5179.1000110.4F84 Y97 K98 T99 I103 T104 C105F84-I101 HydrophobicContact CD2-CD1 4.42Å; F84-I101 HydrophobicContact CE2-CD1 4.41Å; Y97-I101 HydrophobicContact CD1-CD1 3.88Å; Y97-I101 HydrophobicContact CD2-CD1 4.45Å; Y97-I101 HydrophobicContact CE1-CD1 3.25Å; Y97-I101 HydrophobicContact CE1-CG1 4.33Å; Y97-I101 HydrophobicContact CE2-CD1 3.91Å; Y97-I101 HydrophobicContact CE2-CG1 4.33Å; Y97-I101 HydrophobicContact CG-CD1 4.45Å; Y97-I101 PolarHBondContact O-N 3.44Å; Y97-I101 WeakPolarHBondContact OH-CD1 3.12Å; K98-I101 PolarHBondContact O-N 2.95Å; T99-I101 PolarHBondContact O-N 3.49Å; I101-I103 PolarHBondContact O-N 3.3Å; I101-T104 PolarHBondContact O-N 3.34Å; I101-C105 WeakPolarHBondContact O-CB 3.24Å; I101-C105 PolarHBondContact O-N 3.09Å; I101-C105 PolarHBondContact O-SG 2.97Å
102H84.7Confident82.1Confident50 Ų5056.7 Ų56.723%0.23127%0.274CS..Hα-helixtrans-61.7-46.1-178.9-173.4-92.2000111.5K98 T99 I100 C105 F106K98-H102 WeakPolarHBondContact O-CB 3.36Å; K98-H102 PolarHBondContact O-N 3.31Å; T99-H102 PolarHBondContact O-N 3.45Å; I100-H102 VanDerWaalsContact C-N 3.33Å; I100-H102 PolarHBondContact O-N 2.82Å; H102-C105 PolarHBondContact O-N 3.03Å; H102-F106 VanDerWaalsContact O-CB 3.26Å; H102-F106 WeakPolarHBondContact O-CB 3.39Å; H102-F106 PolarHBondContact O-N 2.76Å
103I87.3Confident83.7Confident30 Ų3055 Ų5515%0.15427%0.265CS..Hα-helixtrans-60.8-46.5175.8-68.6172.9000110.8T99 I100 I101 F106 I107 L169 I174T99-I103 HydrophobicContact CG2-CD1 3.76Å; T99-I103 HydrophobicContact CG2-CG1 4.31Å; T99-I103 WeakPolarHBondContact O-CB 3.19Å; T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.24Å; T99-I103 PolarHBondContact O-N 3.47Å; I100-I103 PolarHBondContact O-N 3.06Å; I101-I103 PolarHBondContact O-N 3.3Å; I103-F106 WeakPolarHBondContact O-CB 3.45Å; I103-F106 PolarHBondContact O-N 3.35Å; I103-I107 HydrophobicContact CG2-CD1 4.02Å; I103-I107 WeakPolarHBondContact O-CG1 3.15Å; I103-I107 PolarHBondContact O-N 3.15Å; I103-L169 HydrophobicContact CB-CD1 4.44Å; I103-L169 HydrophobicContact CG1-CD1 4.12Å; I103-L169 HydrophobicContact CG2-CD1 3.88Å; I103-L169 HydrophobicContact CG2-CD2 3.67Å; I103-L169 HydrophobicContact CG2-CG 4.46Å; I103-I174 HydrophobicContact CD1-CD1 4.1Å
104T89.6Confident85.6Confident56 Ų5645.8 Ų45.834%0.34422%0.222SC..Hα-helixtrans-61.5-50.8179.3-57.70000110.4I100 I101 F106 I107 F108I100-T104 VanDerWaalsContact O-CB 3.3Å; I100-T104 WeakPolarHBondContact O-CB 3.23Å; I100-T104 PolarHBondContact O-N 3.03Å; I100-T104 PolarHBondContact O-OG1 3.28Å; I101-T104 PolarHBondContact O-N 3.34Å; T104-F106 VanDerWaalsContact C-N 3.28Å; T104-F106 PolarHBondContact O-N 2.73Å; T104-I107 PolarHBondContact O-N 3.36Å; T104-F108 HydrophobicContact CG2-CD2 3.64Å; T104-F108 HydrophobicContact CG2-CE2 3.71Å; T104-F108 VanDerWaalsContact O-CD2 3.27Å; T104-F108 WeakPolarHBondContact O-CD2 2.99Å; T104-F108 PolarHBondContact O-N 3.43Å
105C89.8Confident87.1Confident1 Ų141.6 Ų41.61%0.00720%0.202CC..Hα-helixtrans-58.1-41.7176.7-68.60000111.3I81 I101 H102 F108 I109I81-C105 HydrophobicContact CB-CB 4.39Å; I81-C105 HydrophobicContact CD1-CB 4.27Å; I101-C105 WeakPolarHBondContact O-CB 3.24Å; I101-C105 PolarHBondContact O-N 3.09Å; I101-C105 PolarHBondContact O-SG 2.97Å; H102-C105 PolarHBondContact O-N 3.03Å; C105-F108 PolarHBondContact O-N 2.81Å; C105-I109 HydrophobicContact CB-CD1 4.31Å; C105-I109 VanDerWaalsContact O-CB 3.22Å; C105-I109 WeakPolarHBondContact O-CB 3.3Å; C105-I109 WeakPolarHBondContact O-CD1 3.42Å; C105-I109 WeakPolarHBondContact O-CG1 3.33Å; C105-I109 PolarHBondContact O-N 3.25Å
106F88.4Confident88.1Confident42 Ų4240.2 Ų40.218%0.18420%0.195CC..Hα-helixtrans-59.5-49.7178.1-177.9-94.6000111.9H102 I103 T104 F108 I109 G110 R168 L169 M172H102-F106 VanDerWaalsContact O-CB 3.26Å; H102-F106 WeakPolarHBondContact O-CB 3.39Å; H102-F106 PolarHBondContact O-N 2.76Å; I103-F106 WeakPolarHBondContact O-CB 3.45Å; I103-F106 PolarHBondContact O-N 3.35Å; T104-F106 VanDerWaalsContact C-N 3.28Å; T104-F106 PolarHBondContact O-N 2.73Å; F106-F108 PolarHBondContact O-N 2.9Å; F106-I109 PolarHBondContact O-N 3.28Å; F106-G110 PolarHBondContact O-N 2.85Å; F106-R168 HydrophobicContact CE1-CB 4.23Å; F106-R168 HydrophobicContact CE1-CG 4.14Å; F106-R168 HydrophobicContact CZ-CG 3.92Å; F106-L169 HydrophobicContact CD1-CD1 4.28Å; F106-M172 HydrophobicContact CD1-CE 4.11Å; F106-M172 HydrophobicContact CD2-CE 4.15Å; F106-M172 HydrophobicContact CE1-CE 4.03Å; F106-M172 HydrophobicContact CE2-CE 4.07Å; F106-M172 HydrophobicContact CG-CE 4.16Å; F106-M172 HydrophobicContact CZ-CE 4Å
107I91Very high88.9Confident43 Ų4334.6 Ų34.622%0.22117%0.166CC..Hα-helixtrans-61.1-47.5178.7-66.5168.3000110.5I103 T104 G111 S165I103-I107 HydrophobicContact CG2-CD1 4.02Å; I103-I107 WeakPolarHBondContact O-CG1 3.15Å; I103-I107 PolarHBondContact O-N 3.15Å; T104-I107 PolarHBondContact O-N 3.36Å; I107-G111 PolarHBondContact O-N 3.42Å; I107-S165 WeakPolarHBondContact CA-OG 3.44Å; I107-S165 PolarHBondContact O-OG 2.93Å
108F93.3Very high89.5Confident75 Ų7529.4 Ų29.433%0.32915%0.145SC..Hα-helixtrans-69.7-39.2-177.7-84-77.7000112.9L73 M77 T104 C105 F106 A112 F162L73-F108 HydrophobicContact CD1-CD1 4.13Å; L73-F108 HydrophobicContact CD2-CD1 4.08Å; L73-F108 HydrophobicContact CG-CD1 4.42Å; M77-F108 HydrophobicContact CE-CB 4.1Å; M77-F108 HydrophobicContact CE-CD1 4.3Å; M77-F108 HydrophobicContact CE-CD2 4.14Å; M77-F108 HydrophobicContact CE-CG 3.93Å; M77-F108 HydrophobicContact CG-CB 3.8Å; M77-F108 HydrophobicContact SD-CB 4Å; M77-F108 HydrophobicContact SD-CG 4.4Å; T104-F108 HydrophobicContact CG2-CD2 3.64Å; T104-F108 HydrophobicContact CG2-CE2 3.71Å; T104-F108 VanDerWaalsContact O-CD2 3.27Å; T104-F108 WeakPolarHBondContact O-CD2 2.99Å; T104-F108 PolarHBondContact O-N 3.43Å; C105-F108 PolarHBondContact O-N 2.81Å; F106-F108 PolarHBondContact O-N 2.9Å; F108-A112 WeakPolarHBondContact O-CB 3.38Å; F108-A112 PolarHBondContact O-N 3Å; F108-F162 AromaticContact CD1-CE1 3.91Å; F108-F162 HydrophobicContact CD1-CE1 3.91Å; F108-F162 HydrophobicContact CD1-CZ 4.45Å; F108-F162 HydrophobicContact CE1-CE1 4.25Å
109I91.3Very high90.1Very high32 Ų3224.9 Ų24.916%0.16413%0.126CC..Hα-helixtrans-63.1-52.1175.2-70.9166.4000109.2L74 M77 I78 I81 C105 F106 G111 A112 L113L74-I109 HydrophobicContact CD1-CB 4.48Å; L74-I109 HydrophobicContact CD1-CG2 4.02Å; M77-I109 HydrophobicContact CB-CD1 4.17Å; M77-I109 HydrophobicContact CB-CG1 3.61Å; I78-I109 HydrophobicContact CG1-CD1 4.37Å; I78-I109 HydrophobicContact CG1-CG1 4.48Å; I81-I109 HydrophobicContact CG2-CD1 4.18Å; C105-I109 HydrophobicContact CB-CD1 4.31Å; C105-I109 VanDerWaalsContact O-CB 3.22Å; C105-I109 WeakPolarHBondContact O-CB 3.3Å; C105-I109 WeakPolarHBondContact O-CD1 3.42Å; C105-I109 WeakPolarHBondContact O-CG1 3.33Å; C105-I109 PolarHBondContact O-N 3.25Å; F106-I109 PolarHBondContact O-N 3.28Å; I109-G111 PolarHBondContact O-N 3.37Å; I109-A112 PolarHBondContact O-N 3.48Å; I109-L113 HydrophobicContact CG2-CD1 3.69Å; I109-L113 HydrophobicContact CG2-CG 4.28Å; I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 3.29Å
110G89.7Confident90.7Very high5 Ų524 Ų245%0.05212%0.12CC..Hα-helixtrans-60.7-43.6179.300000112.8F106 C114 S165F106-G110 PolarHBondContact O-N 2.85Å; G110-C114 WeakPolarHBondContact O-CB 3.48Å; G110-C114 PolarHBondContact O-N 3.01Å; G110-S165 WeakPolarHBondContact CA-OG 3.38Å
111G93.3Very high91Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-66.7-43.2178.700000112.5I107 I109 S115 S165I107-G111 PolarHBondContact O-N 3.42Å; I109-G111 PolarHBondContact O-N 3.37Å; G111-S115 WeakPolarHBondContact O-CB 3.14Å; G111-S115 PolarHBondContact O-N 2.73Å; G111-S115 PolarHBondContact O-OG 3.16Å; G111-S165 PolarHBondContact N-OG 3.15Å
112A93.5Very high91.3Very high0 Ų019.1 Ų19.10%010%0.095CC..Hα-helixtrans-67.5-43.3177.700000111.9F70 L73 L74 F108 I109 S115 R116F70-A112 HydrophobicContact CD1-CB 4.24Å; L73-A112 HydrophobicContact CD2-CB 4.19Å; L73-A112 HydrophobicContact CG-CB 4.36Å; L74-A112 HydrophobicContact CB-CB 4.15Å; L74-A112 HydrophobicContact CD1-CB 4.44Å; F108-A112 WeakPolarHBondContact O-CB 3.38Å; F108-A112 PolarHBondContact O-N 3Å; I109-A112 PolarHBondContact O-N 3.48Å; A112-S115 PolarHBondContact O-N 2.72Å; A112-R116 WeakPolarHBondContact O-CB 3.25Å; A112-R116 PolarHBondContact O-N 2.92Å
113L91.4Very high91.5Very high24 Ų2416.9 Ų16.913%0.1269%0.085CC..Hα-helixtrans-57.3-52174.9-74.4170.5000111.4L74 I109 S115 R116 N117 V357L74-L113 HydrophobicContact CD1-CD1 4.5Å; L74-L113 HydrophobicContact CD1-CD2 3.75Å; L74-L113 HydrophobicContact CD1-CG 3.71Å; L74-L113 HydrophobicContact CD2-CD2 3.6Å; L74-L113 HydrophobicContact CD2-CG 4.38Å; L74-L113 HydrophobicContact CG-CD2 4.33Å; I109-L113 HydrophobicContact CG2-CD1 3.69Å; I109-L113 HydrophobicContact CG2-CG 4.28Å; I109-L113 WeakPolarHBondContact O-CB 3.45Å; I109-L113 WeakPolarHBondContact O-CG 3.47Å; I109-L113 PolarHBondContact O-N 3.29Å; L113-S115 PolarHBondContact O-N 2.98Å; L113-R116 WeakPolarHBondContact O-CB 3.22Å; L113-R116 PolarHBondContact O-N 2.87Å; L113-N117 PolarHBondContact O-N 3.28Å; L113-N117 PolarHBondContact O-OD1 3.02Å; L113-V357 HydrophobicContact CD2-CG1 3.59Å; L113-V357 HydrophobicContact CD2-CG2 4.47Å
114C92.7Very high91.7Very high0 Ų015.4 Ų15.40%08%0.077CC..Hα-helixtrans-61-48.1179.1-174.50000111.2G110 R116 N117 W118 G161 F199 F202 Q203G110-C114 WeakPolarHBondContact O-CB 3.48Å; G110-C114 PolarHBondContact O-N 3.01Å; C114-R116 VanDerWaalsContact C-N 3.31Å; C114-R116 PolarHBondContact O-N 2.88Å; C114-N117 PolarHBondContact O-N 2.78Å; C114-W118 VanDerWaalsContact O-CD1 3.3Å; C114-W118 PolarHBondContact O-N 2.86Å; C114-G161 VanDerWaalsContact SG-CA 3.51Å; C114-F199 HydrophobicContact CB-CE2 4.42Å; C114-F202 VanDerWaalsContact SG-CD1 3.53Å; C114-F202 VanDerWaalsContact SG-CE1 3.54Å; C114-Q203 HydrophobicContact CB-CB 4.47Å; C114-Q203 HydrophobicContact CB-CG 4.16Å
115S93.3Very high91.7Very high0 Ų015.1 Ų15.10%07%0.073CC..Hα-helixtrans-60.8-40179-62.80000112.4G111 A112 L113 T119G111-S115 WeakPolarHBondContact O-CB 3.14Å; G111-S115 PolarHBondContact O-N 2.73Å; G111-S115 PolarHBondContact O-OG 3.16Å; A112-S115 PolarHBondContact O-N 2.72Å; L113-S115 PolarHBondContact O-N 2.98Å; S115-T119 VanDerWaalsContact O-CB 3.3Å; S115-T119 WeakPolarHBondContact O-CB 3.42Å; S115-T119 PolarHBondContact O-N 3.42Å; S115-T119 PolarHBondContact O-OG1 3.16Å
116R92.7Very high91.6Very high0 Ų016.5 Ų16.50%09%0.085CC..Hα-helixtrans-61.8-52175.7-176.4-162.871.6129.64110.9L67 F70 A112 L113 C114 W118 T119 I120 E328 D360L67-R116 HydrophobicContact CD1-CB 4.4Å; L67-R116 HydrophobicContact CD1-CG 3.54Å; F70-R116 HydrophobicContact CB-CB 4.31Å; A112-R116 WeakPolarHBondContact O-CB 3.25Å; A112-R116 PolarHBondContact O-N 2.92Å; L113-R116 WeakPolarHBondContact O-CB 3.22Å; L113-R116 PolarHBondContact O-N 2.87Å; C114-R116 VanDerWaalsContact C-N 3.31Å; C114-R116 PolarHBondContact O-N 2.88Å; R116-W118 VanDerWaalsContact C-N 3.34Å; R116-W118 PolarHBondContact O-N 2.93Å; R116-T119 WeakPolarHBondContact O-CB 3.49Å; R116-T119 PolarHBondContact O-N 3.07Å; R116-T119 VanDerWaalsContact O-N 3.13Å; R116-I120 HydrophobicContact CG-CD1 4.46Å; R116-I120 WeakPolarHBondContact O-CG1 3.45Å; R116-I120 PolarHBondContact O-N 3.24Å; R116-E328 IonicContact NH2-OE1 2.92Å; R116-E328 IonicContact NH2-OE2 3.41Å; R116-E328 PolarHBondContact NH2-OE2 3.41Å; R116-D360 IonicContact CZ-OD2 2.78Å; R116-D360 IonicContact NH1-OD2 2.98Å; R116-D360 PolarHBondContact NH1-OD2 2.97Å; R116-D360 IonicContact NH2-OD2 3.6Å
117N92.5Very high91.5Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-60.7-43.5-178.9-67.35.9000111.6L113 C114 I120 T121 Q203 P207 F324 E328L113-N117 PolarHBondContact O-N 3.28Å; L113-N117 PolarHBondContact O-OD1 3.02Å; C114-N117 PolarHBondContact O-N 2.78Å; N117-I120 PolarHBondContact O-N 3.35Å; N117-T121 WeakPolarHBondContact O-CB 3.37Å; N117-T121 PolarHBondContact O-N 2.95Å; N117-T121 PolarHBondContact O-OG1 2.92Å; N117-Q203 WeakPolarHBondContact CB-O 3.32Å; N117-Q203 PolarHBondContact ND2-O 3.14Å; N117-P207 HydrophobicContact CB-CB 4.22Å; N117-P207 HydrophobicContact CB-CG 4.39Å; N117-F324 HydrophobicContact CB-CE2 4.13Å; N117-F324 HydrophobicContact CB-CZ 4.03Å; N117-F324 WeakPolarHBondContact OD1-CE2 3.46Å; N117-E328 PolarHBondContact ND2-OE1 3.08Å
118W94Very high91.3Very high29 Ų2915.5 Ų15.511%0.118%0.079CC..Hα-helixtrans-67.1-37.6174.8-84.3100000112.9C114 R116 I120 T121 L122 C157 F202 I206 P207 I210C114-W118 VanDerWaalsContact O-CD1 3.3Å; C114-W118 PolarHBondContact O-N 2.86Å; R116-W118 VanDerWaalsContact C-N 3.34Å; R116-W118 PolarHBondContact O-N 2.93Å; W118-I120 PolarHBondContact O-N 3.46Å; W118-T121 HydrophobicContact CE3-CG2 4.48Å; W118-T121 WeakPolarHBondContact O-CB 3.06Å; W118-T121 PolarHBondContact O-N 2.94Å; W118-L122 WeakPolarHBondContact O-CB 3.45Å; W118-L122 VanDerWaalsContact O-CG 3.29Å; W118-L122 WeakPolarHBondContact O-CG 3.29Å; W118-L122 PolarHBondContact O-N 3.29Å; W118-C157 HydrophobicContact CB-CB 3.76Å; W118-C157 HydrophobicContact CD2-CB 4.19Å; W118-C157 HydrophobicContact CE3-CB 4.43Å; W118-C157 HydrophobicContact CG-CB 3.9Å; W118-F202 AromaticContact CD1-CE1 3.78Å; W118-F202 HydrophobicContact CD2-CZ 4.44Å; W118-F202 AromaticContact CE2-CE1 3.93Å; W118-F202 AromaticContact CE2-CE2 3.7Å; W118-F202 AromaticContact CE2-CZ 3.57Å; W118-F202 HydrophobicContact CH2-CE2 4.32Å; W118-F202 AromaticContact CZ2-CD2 3.75Å; W118-F202 HydrophobicContact CZ2-CD2 3.75Å; W118-F202 HydrophobicContact CZ2-CE1 4.44Å; W118-F202 AromaticContact CZ2-CE2 3.4Å; W118-F202 HydrophobicContact CZ2-CE2 3.4Å; W118-F202 HydrophobicContact CZ2-CG 4.41Å; W118-F202 AromaticContact CZ2-CZ 3.79Å; W118-F202 HydrophobicContact CZ2-CZ 3.79Å; W118-F202 AromaticContact NE1-CD1 3.51Å; W118-F202 AromaticContact NE1-CE1 3.19Å; W118-F202 AromaticContact NE1-CE2 3.78Å; W118-F202 AromaticContact NE1-CG 3.94Å; W118-F202 AromaticContact NE1-CZ 3.33Å; W118-F202 VanDerWaalsContact NE1-CZ 3.33Å; W118-F202 PolarHBondContact NE1-O 3.48Å; W118-I206 HydrophobicContact CH2-CG2 3.66Å; W118-I206 HydrophobicContact CZ2-CB 4.46Å; W118-I206 HydrophobicContact CZ2-CG2 3.87Å; W118-P207 HydrophobicContact CD2-CG 4.25Å; W118-P207 HydrophobicContact CG-CG 4.47Å; W118-P207 HydrophobicContact CZ2-CG 4.23Å; W118-I210 HydrophobicContact CH2-CD1 4.4Å; W118-I210 HydrophobicContact CZ3-CD1 4.39Å
119T92.2Very high90.8Very high2 Ų213.2 Ų13.21%0.0127%0.069CC..Hα-helixtrans-62.4-44.4176-60.10000111.1N63 T66 L67 S115 R116 T121 L122 I123N63-T119 HydrophobicContact CB-CG2 4.45Å; N63-T119 VanDerWaalsContact O-CG2 3.31Å; N63-T119 WeakPolarHBondContact O-CG2 3.43Å; T66-T119 HydrophobicContact CG2-CG2 4.3Å; L67-T119 HydrophobicContact CB-CG2 3.88Å; L67-T119 HydrophobicContact CD1-CG2 4.48Å; S115-T119 VanDerWaalsContact O-CB 3.3Å; S115-T119 WeakPolarHBondContact O-CB 3.42Å; S115-T119 PolarHBondContact O-N 3.42Å; S115-T119 PolarHBondContact O-OG1 3.16Å; R116-T119 WeakPolarHBondContact O-CB 3.49Å; R116-T119 PolarHBondContact O-N 3.07Å; R116-T119 VanDerWaalsContact O-N 3.13Å; T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.47Å; T119-L122 PolarHBondContact O-N 3.45Å; T119-I123 HydrophobicContact CG2-CD1 4.01Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 2.89Å
120I92.1Very high90.3Very high0 Ų014.2 Ų14.20%08%0.083CC..Hα-helixtrans-60.4-45.1174.2-65.1176000110.6L67 R116 N117 W118 L122 I123 S124 L320 T321 F324L67-I120 HydrophobicContact CD1-CD1 4.02Å; L67-I120 HydrophobicContact CD1-CG1 3.61Å; L67-I120 HydrophobicContact CD2-CD1 4.49Å; L67-I120 HydrophobicContact CD2-CG1 3.87Å; L67-I120 HydrophobicContact CG-CG1 4.43Å; R116-I120 HydrophobicContact CG-CD1 4.46Å; R116-I120 WeakPolarHBondContact O-CG1 3.45Å; R116-I120 PolarHBondContact O-N 3.24Å; N117-I120 PolarHBondContact O-N 3.35Å; W118-I120 PolarHBondContact O-N 3.46Å; I120-L122 PolarHBondContact O-N 2.82Å; I120-I123 PolarHBondContact O-N 3.14Å; I120-S124 PolarHBondContact O-N 2.99Å; I120-L320 HydrophobicContact CB-CD2 4.28Å; I120-L320 HydrophobicContact CD1-CD2 4.09Å; I120-L320 HydrophobicContact CG1-CD2 3.86Å; I120-L320 HydrophobicContact CG2-CD2 3.62Å; I120-T321 HydrophobicContact CG2-CG2 4.34Å; I120-F324 HydrophobicContact CD1-CB 4.25Å; I120-F324 HydrophobicContact CD1-CD2 3.63Å; I120-F324 HydrophobicContact CD1-CE2 4.27Å; I120-F324 HydrophobicContact CD1-CG 4.07Å; I120-F324 HydrophobicContact CG2-CB 4.19Å; I120-F324 HydrophobicContact CG2-CD1 4.21Å; I120-F324 HydrophobicContact CG2-CG 4.03Å
121T92.6Very high89.8Confident1 Ų115.2 Ų15.21%0.0069%0.086CC..Hα-helixtrans-58.5-47.4178.2-58.10000111.8N117 W118 T119 S124 L125 P207 I210 V211N117-T121 WeakPolarHBondContact O-CB 3.37Å; N117-T121 PolarHBondContact O-N 2.95Å; N117-T121 PolarHBondContact O-OG1 2.92Å; W118-T121 HydrophobicContact CE3-CG2 4.48Å; W118-T121 WeakPolarHBondContact O-CB 3.06Å; W118-T121 PolarHBondContact O-N 2.94Å; T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.47Å; T121-S124 WeakPolarHBondContact O-CB 3.29Å; T121-S124 PolarHBondContact O-N 3.32Å; T121-L125 WeakPolarHBondContact O-CB 3.19Å; T121-L125 PolarHBondContact O-N 2.83Å; T121-P207 WeakPolarHBondContact OG1-CA 3.46Å; T121-P207 WeakPolarHBondContact OG1-CB 3.29Å; T121-I210 HydrophobicContact CG2-CB 3.72Å; T121-I210 HydrophobicContact CG2-CD1 4.14Å; T121-I210 HydrophobicContact CG2-CG2 3.48Å; T121-I210 VanDerWaalsContact CG2-CG2 3.48Å; T121-V211 HydrophobicContact CG2-CG2 4.22Å; T121-V211 WeakPolarHBondContact OG1-CG2 2.88Å
122L91.6Very high89.2Confident11 Ų1116.3 Ų16.36%0.0589%0.093CC..Hα-helixtrans-66.9-36.6178-70173.1000112.3W118 T119 I120 A126 M150 F153 T154W118-L122 WeakPolarHBondContact O-CB 3.45Å; W118-L122 VanDerWaalsContact O-CG 3.29Å; W118-L122 WeakPolarHBondContact O-CG 3.29Å; W118-L122 PolarHBondContact O-N 3.29Å; T119-L122 PolarHBondContact O-N 3.45Å; I120-L122 PolarHBondContact O-N 2.82Å; L122-A126 WeakPolarHBondContact O-CB 3.32Å; L122-A126 PolarHBondContact O-N 2.95Å; L122-M150 HydrophobicContact CB-CE 4Å; L122-M150 HydrophobicContact CD2-CE 4.05Å; L122-F153 HydrophobicContact CD2-CB 4.32Å; L122-T154 WeakPolarHBondContact CD1-OG1 3.17Å
123I90.4Very high88.3Confident3 Ų323.8 Ų23.82%0.01513%0.126CC..Hα-helixtrans-62-47.5172.6-69.9165.2000110.2M60 N63 L67 T119 I120 R127 I317M60-I123 HydrophobicContact CE-CG2 4.21Å; N63-I123 HydrophobicContact CB-CD1 3.77Å; N63-I123 HydrophobicContact CB-CG1 3.44Å; N63-I123 VanDerWaalsContact CB-CG1 3.44Å; L67-I123 HydrophobicContact CD2-CD1 4.23Å; T119-I123 HydrophobicContact CG2-CD1 4.01Å; T119-I123 WeakPolarHBondContact O-CG1 3.39Å; T119-I123 PolarHBondContact O-N 2.89Å; I120-I123 PolarHBondContact O-N 3.14Å; I123-R127 WeakPolarHBondContact O-CB 3.34Å; I123-R127 WeakPolarHBondContact O-CG 3.46Å; I123-R127 PolarHBondContact O-N 3.45Å; I123-R127 VanDerWaalsContact O-N 3.16Å; I123-I317 HydrophobicContact CG2-CD1 4.35Å; I123-I317 HydrophobicContact CG2-CG1 4Å; I123-I317 HydrophobicContact CG2-CG2 3.91Å
124S90.4Very high87.2Confident0 Ų027.7 Ų27.70%015%0.152CC..Hα-helixtrans-60.6-48.7178.3-170.90000111.3I120 T121 R127 C128 T214 M218I120-S124 PolarHBondContact O-N 2.99Å; T121-S124 WeakPolarHBondContact O-CB 3.29Å; T121-S124 PolarHBondContact O-N 3.32Å; S124-R127 PolarHBondContact O-N 3.35Å; S124-R127 VanDerWaalsContact O-N 3.16Å; S124-C128 WeakPolarHBondContact O-CB 3.33Å; S124-C128 PolarHBondContact O-N 3.18Å; S124-T214 WeakPolarHBondContact OG-CB 3.4Å; S124-T214 PolarHBondContact OG-OG1 3.18Å; S124-M218 VanDerWaalsContact OG-CE 3.23Å; S124-M218 WeakPolarHBondContact OG-CE 3.14Å
125L90.5Very high85.9Confident49 Ų4932.7 Ų32.726%0.25718%0.177SC..Hα-helixtrans-62.7-48.3-179.3-175.365.1000111.9T121 R127 C128 I129 F145 T214T121-L125 WeakPolarHBondContact O-CB 3.19Å; T121-L125 PolarHBondContact O-N 2.83Å; L125-R127 PolarHBondContact O-N 3.4Å; L125-R127 VanDerWaalsContact O-N 3.15Å; L125-C128 PolarHBondContact O-N 2.83Å; L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.45Å; L125-I129 PolarHBondContact O-N 3Å; L125-F145 HydrophobicContact CD2-CE1 4.14Å; L125-F145 HydrophobicContact CG-CE1 4.4Å; L125-T214 HydrophobicContact CB-CG2 4.42Å; L125-T214 HydrophobicContact CD1-CG2 3.82Å
126A86.4Confident84.4Confident31 Ų3135.8 Ų35.826%0.25619%0.193SC..Hα-helixtrans-57.2-32.317700000112.1L122 A130 M150L122-A126 WeakPolarHBondContact O-CB 3.32Å; L122-A126 PolarHBondContact O-N 2.95Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.21Å; A126-M150 HydrophobicContact CB-CE 3.92Å
127R86Confident82.8Confident56 Ų5641.2 Ų41.221%0.21123%0.226CC..Hα-helixtrans-83.5-43-178.1-72.1-77.7-177.1-157.46.8113.2M60 I123 S124 L125 I129 A130 I131 M218 I317M60-R127 VanDerWaalsContact CB-NH2 3.3Å; M60-R127 PolarHBondContact SD-NH2 3.33Å; I123-R127 WeakPolarHBondContact O-CB 3.34Å; I123-R127 WeakPolarHBondContact O-CG 3.46Å; I123-R127 PolarHBondContact O-N 3.45Å; I123-R127 VanDerWaalsContact O-N 3.16Å; S124-R127 PolarHBondContact O-N 3.35Å; S124-R127 VanDerWaalsContact O-N 3.16Å; L125-R127 PolarHBondContact O-N 3.4Å; L125-R127 VanDerWaalsContact O-N 3.15Å; R127-I129 PolarHBondContact O-N 3.2Å; R127-A130 PolarHBondContact O-N 3.5Å; R127-A130 VanDerWaalsContact O-N 3.14Å; R127-I131 VanDerWaalsContact O-CD1 3.31Å; R127-I131 WeakPolarHBondContact O-CD1 3.44Å; R127-I131 VanDerWaalsContact O-CG1 3.29Å; R127-I131 WeakPolarHBondContact O-CG1 3.43Å; R127-I131 PolarHBondContact O-N 3.34Å; R127-I131 VanDerWaalsContact O-N 3.07Å; R127-M218 HydrophobicContact CB-SD 4.17Å; R127-I317 HydrophobicContact CB-CD1 4.25Å; R127-I317 HydrophobicContact CB-CG2 4.23Å; R127-I317 HydrophobicContact CG-CD1 3.29Å; R127-I317 HydrophobicContact CG-CG1 4.31Å; R127-I317 HydrophobicContact CG-CG2 4.19Å
128C87Confident81.2Confident8 Ų852.9 Ų52.95%0.05427%0.27CS..Hα-helixtrans-49.5-50167.9-178.70000109.8S124 L125 A130 I131 T132 T214 I217 M218S124-C128 WeakPolarHBondContact O-CB 3.33Å; S124-C128 PolarHBondContact O-N 3.18Å; L125-C128 PolarHBondContact O-N 2.83Å; C128-A130 PolarHBondContact O-N 2.97Å; C128-I131 PolarHBondContact O-N 3.15Å; C128-T132 WeakPolarHBondContact O-CG2 3.29Å; C128-T132 PolarHBondContact O-N 3.49Å; C128-T132 PolarHBondContact O-OG1 3.41Å; C128-T132 VanDerWaalsContact O-OG1 3.04Å; C128-T214 HydrophobicContact CB-CG2 4.11Å; C128-I217 WeakPolarHBondContact SG-CG2 3.5Å; C128-M218 HydrophobicContact CB-CG 4Å
129I83.1Confident79.4Confident26 Ų2660.9 Ų60.913%0.13331%0.306CS..Hα-helixtrans-65-42.3178.6-65.8167.4000112.3L125 R127 I131 T132 K133 F145L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.45Å; L125-I129 PolarHBondContact O-N 3Å; R127-I129 PolarHBondContact O-N 3.2Å; I129-I131 PolarHBondContact O-N 2.89Å; I129-T132 WeakPolarHBondContact CA-OG1 3.45Å; I129-T132 PolarHBondContact O-N 3.33Å; I129-T132 PolarHBondContact O-OG1 3.09Å; I129-K133 VanDerWaalsContact O-CB 3.26Å; I129-K133 WeakPolarHBondContact O-CB 3.41Å; I129-K133 PolarHBondContact O-N 2.98Å; I129-F145 HydrophobicContact CD1-CD1 3.34Å; I129-F145 HydrophobicContact CD1-CD2 3.9Å; I129-F145 HydrophobicContact CD1-CE1 3.1Å; I129-F145 HydrophobicContact CD1-CE2 3.68Å; I129-F145 HydrophobicContact CD1-CG 3.74Å; I129-F145 HydrophobicContact CD1-CZ 3.28Å; I129-F145 HydrophobicContact CG2-CG 4.43Å
130A81.2Confident77.6Confident54 Ų5465.9 Ų65.945%0.44634%0.337SS..Hα-helixtrans-59.1-31.9177.800000112.7A126 R127 C128A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.21Å; R127-A130 PolarHBondContact O-N 3.5Å; R127-A130 VanDerWaalsContact O-N 3.14Å; C128-A130 PolarHBondContact O-N 2.97Å
131I80Confident75.8Confident25 Ų2571.5 Ų71.513%0.12836%0.359CS..Hα-helixtrans-83.5-37.7179.1-62156.5000111.4R127 C128 I129 P134 M218 A221 T314R127-I131 VanDerWaalsContact O-CD1 3.31Å; R127-I131 WeakPolarHBondContact O-CD1 3.44Å; R127-I131 VanDerWaalsContact O-CG1 3.29Å; R127-I131 WeakPolarHBondContact O-CG1 3.43Å; R127-I131 PolarHBondContact O-N 3.34Å; R127-I131 VanDerWaalsContact O-N 3.07Å; C128-I131 PolarHBondContact O-N 3.15Å; I129-I131 PolarHBondContact O-N 2.89Å; I131-P134 VanDerWaalsContact O-CD 3.26Å; I131-P134 WeakPolarHBondContact O-CD 3.37Å; I131-P134 WeakPolarHBondContact O-CG 3.46Å; I131-M218 HydrophobicContact CD1-CG 4.07Å; I131-M218 HydrophobicContact CD1-SD 4.38Å; I131-A221 HydrophobicContact CG2-CB 3.64Å; I131-T314 HydrophobicContact CD1-CG2 3.29Å; I131-T314 HydrophobicContact CG1-CG2 4.44Å
132T79.6Confident74.2Confident23 Ų2375.4 Ų75.414%0.14139%0.386CS..Hα-helixtrans-84-15.7-179.958.50000113.5C128 I129 M135 I136 I217C128-T132 WeakPolarHBondContact O-CG2 3.29Å; C128-T132 PolarHBondContact O-N 3.49Å; C128-T132 PolarHBondContact O-OG1 3.41Å; C128-T132 VanDerWaalsContact O-OG1 3.04Å; I129-T132 WeakPolarHBondContact CA-OG1 3.45Å; I129-T132 PolarHBondContact O-N 3.33Å; I129-T132 PolarHBondContact O-OG1 3.09Å; T132-M135 WeakPolarHBondContact O-CA 3.43Å; T132-M135 WeakPolarHBondContact O-CB 3.21Å; T132-M135 PolarHBondContact O-N 3.03Å; T132-I136 PolarHBondContact O-N 3.43Å; T132-I217 HydrophobicContact CG2-CG2 3.86Å
133K75.1Confident72.8Confident158 Ų15880.2 Ų80.269%0.68741%0.408SS*.THydrogen-bonded Turntrans-48.2-45.9176-175174.3-177176.10114.8I129 M135 I136I129-K133 VanDerWaalsContact O-CB 3.26Å; I129-K133 WeakPolarHBondContact O-CB 3.41Å; I129-K133 PolarHBondContact O-N 2.98Å; K133-M135 PolarHBondContact O-N 3.06Å; K133-I136 PolarHBondContact O-N 2.92Å
134P67.8Low71.3Confident105 Ų10584.3 Ų84.368%0.68243%0.429SS*.THydrogen-bonded Turntrans-65.9-17.5175.125.1-35.9000114.3I131I131-P134 VanDerWaalsContact O-CD 3.26Å; I131-P134 WeakPolarHBondContact O-CD 3.37Å; I131-P134 WeakPolarHBondContact O-CG 3.46Å
135M64.6Low69.9Low106 Ų10687 Ų8752%0.52244%0.441SS..THydrogen-bonded Turntrans-91.8-21.5179.9-61.5-172.2167.500113.4T132 K133T132-M135 WeakPolarHBondContact O-CA 3.43Å; T132-M135 WeakPolarHBondContact O-CB 3.21Å; T132-M135 PolarHBondContact O-N 3.03Å; K133-M135 PolarHBondContact O-N 3.06Å
136I63.3Low69.1Low64 Ų6488.4 Ų88.433%0.32845%0.446SS..SBendtrans-102.7135.2-173.1-61.8164.9000110.2T132 K133 R138 Y141T132-I136 PolarHBondContact O-N 3.43Å; K133-I136 PolarHBondContact O-N 2.92Å; I136-R138 PolarHBondContact O-N 3.4Å; I136-Y141 HydrophobicContact CD1-CD2 4.45Å; I136-Y141 HydrophobicContact CD1-CE2 4.18Å; I136-Y141 HydrophobicContact CG2-CD2 3.75Å; I136-Y141 HydrophobicContact CG2-CE2 3.95Å
137T58.2Low68.4Low115 Ų11591.2 Ų91.271%0.70646%0.462SS*.  trans-47.2125.5174.525.60000112K139T137-K139 PolarHBondContact O-N 2.91Å
138R59.9Low68.1Low244 Ų24496.1 Ų96.192%0.92149%0.485SS*.THydrogen-bonded Turntrans-51.3-17-165.7-160.4175.7-177.5175.90.6116.9I136I136-R138 PolarHBondContact O-N 3.4Å
139K55.3Low67.9Low198 Ų198100.1 Ų100.186%0.86150%0.499SS*.THydrogen-bonded Turntrans-88.4-36.2-168.6-74.1-172.3175.9-178.50115.4T137T137-K139 PolarHBondContact O-N 2.91Å
140T54.5Low67.9Low107 Ų10799.5 Ų99.566%0.65650%0.495SS*.SBendtrans-81.5-25.3-164.3-33.20000114.8
141Y55.1Low68Low118 Ų11899 Ų9946%0.46349%0.492SS..SBendtrans-107.6-0.2-172-78.8-84.4000115.6I136 H143 F145I136-Y141 HydrophobicContact CD1-CD2 4.45Å; I136-Y141 HydrophobicContact CD1-CE2 4.18Å; I136-Y141 HydrophobicContact CG2-CD2 3.75Å; I136-Y141 HydrophobicContact CG2-CE2 3.95Å; Y141-H143 VanDerWaalsContact C-N 3.28Å; Y141-H143 PolarHBondContact O-N 2.76Å; Y141-F145 AromaticContact CD1-CD2 3.74Å; Y141-F145 HydrophobicContact CD1-CD2 3.74Å; Y141-F145 AromaticContact CD1-CE2 3.55Å; Y141-F145 HydrophobicContact CD1-CE2 3.55Å; Y141-F145 AromaticContact CE1-CE2 3.91Å; Y141-F145 HydrophobicContact CE1-CE2 3.91Å
142S59.1Low68.4Low82 Ų82102.2 Ų102.257%0.57351%0.508SS*.THydrogen-bonded Turntrans-68.8-23.1-172.3-1720000114.1Q146S142-Q146 WeakPolarHBondContact O-CG 3.16Å
143H60.8Low68.7Low112 Ų112104.9 Ų104.952%0.51952%0.518SS..THydrogen-bonded Turntrans-91.8-55.7-173.1-167.4-104.3000112.8Y141 F145 Q146 W149Y141-H143 VanDerWaalsContact C-N 3.28Å; Y141-H143 PolarHBondContact O-N 2.76Å; H143-F145 PolarHBondContact O-N 3.24Å; H143-F145 VanDerWaalsContact O-N 3.09Å; H143-Q146 PolarHBondContact O-N 2.93Å; H143-W149 AromaticContact CE1-CE2 3.6Å; H143-W149 AromaticContact CE1-CZ2 3.51Å; H143-W149 AromaticContact CE1-NE1 3.33Å; H143-W149 PolarHBondContact CE1-NE1 3.44Å; H143-W149 VanDerWaalsContact CE1-NE1 3.33Å; H143-W149 AromaticContact ND1-NE1 3.8Å; H143-W149 AromaticContact NE2-NE1 3.49Å; H143-W149 PolarHBondContact NE2-NE1 2.98Å
144L58.3Low69.3Low89 Ų8997.8 Ų97.847%0.46649%0.488SS..THydrogen-bonded Turntrans-61.5-23.7-174.7-75.8165.3000114.6W149 F153L144-W149 WeakPolarHBondContact O-CB 3.14Å; L144-F153 HydrophobicContact CD2-CZ 4.31Å
145F62.9Low70.4Confident58 Ų5898.1 Ų98.125%0.25448%0.483SS..THydrogen-bonded Turntrans-114.923.9-171.8-62.3-78.2000113.7L125 I129 Y141 H143 M150L125-F145 HydrophobicContact CD2-CE1 4.14Å; L125-F145 HydrophobicContact CG-CE1 4.4Å; I129-F145 HydrophobicContact CD1-CD1 3.34Å; I129-F145 HydrophobicContact CD1-CD2 3.9Å; I129-F145 HydrophobicContact CD1-CE1 3.1Å; I129-F145 HydrophobicContact CD1-CE2 3.68Å; I129-F145 HydrophobicContact CD1-CG 3.74Å; I129-F145 HydrophobicContact CD1-CZ 3.28Å; I129-F145 HydrophobicContact CG2-CG 4.43Å; Y141-F145 AromaticContact CD1-CD2 3.74Å; Y141-F145 HydrophobicContact CD1-CD2 3.74Å; Y141-F145 AromaticContact CD1-CE2 3.55Å; Y141-F145 HydrophobicContact CD1-CE2 3.55Å; Y141-F145 AromaticContact CE1-CE2 3.91Å; Y141-F145 HydrophobicContact CE1-CE2 3.91Å; H143-F145 PolarHBondContact O-N 3.24Å; H143-F145 VanDerWaalsContact O-N 3.09Å; F145-M150 HydrophobicContact CD1-SD 3.73Å; F145-M150 HydrophobicContact CE1-SD 4.22Å
146Q72.5Confident71.7Confident78 Ų7895.9 Ų95.936%0.36448%0.477SS..SBendtrans-63.1148.5163.4-62-173.34.100109.6S142 H143 K148 W149 M150S142-Q146 WeakPolarHBondContact O-CG 3.16Å; H143-Q146 PolarHBondContact O-N 2.93Å; Q146-K148 PolarHBondContact O-N 3.45Å; Q146-W149 PolarHBondContact O-N 3.38Å; Q146-M150 PolarHBondContact O-N 2.84Å
147P71.2Confident73Confident90 Ų9093.6 Ų93.658%0.58447%0.467SS*.Hα-helixtrans-54.7-28.7178.520.8-33.2000113.1A151P147-A151 PolarHBondContact O-N 3.35Å; P147-A151 VanDerWaalsContact O-N 3.13Å
148K80.7Confident74.6Confident158 Ų15889.9 Ų89.969%0.68744%0.442SS*.Hα-helixtrans-65-49.7173.8-64.5-174.3178.3-176.10112.3Q146 M150 A151 I152Q146-K148 PolarHBondContact O-N 3.45Å; K148-M150 PolarHBondContact O-N 3.14Å; K148-A151 WeakPolarHBondContact O-CB 3.49Å; K148-A151 PolarHBondContact O-N 3.35Å; K148-I152 WeakPolarHBondContact O-CG1 3.34Å; K148-I152 PolarHBondContact O-N 3.29Å
149W82.8Confident76.2Confident92 Ų9283.3 Ų83.335%0.34843%0.425SS..Hα-helixtrans-64.4-40.6178.6-75.9109.2000111.9H143 L144 Q146 A151 I152 F153H143-W149 AromaticContact CE1-CE2 3.6Å; H143-W149 AromaticContact CE1-CZ2 3.51Å; H143-W149 AromaticContact CE1-NE1 3.33Å; H143-W149 PolarHBondContact CE1-NE1 3.44Å; H143-W149 VanDerWaalsContact CE1-NE1 3.33Å; H143-W149 AromaticContact ND1-NE1 3.8Å; H143-W149 AromaticContact NE2-NE1 3.49Å; H143-W149 PolarHBondContact NE2-NE1 2.98Å; L144-W149 WeakPolarHBondContact O-CB 3.14Å; Q146-W149 PolarHBondContact O-N 3.38Å; W149-A151 VanDerWaalsContact C-N 3.3Å; W149-A151 PolarHBondContact O-N 2.77Å; W149-I152 HydrophobicContact CE3-CD1 4.16Å; W149-I152 HydrophobicContact CZ3-CD1 4.45Å; W149-I152 PolarHBondContact O-N 2.98Å; W149-I152 VanDerWaalsContact O-N 3.16Å; W149-F153 HydrophobicContact CB-CD2 4.45Å; W149-F153 HydrophobicContact CB-CE2 4.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.06Å; W149-F153 PolarHBondContact O-N 3.48Å
150M82Confident78Confident13 Ų1376.1 Ų76.16%0.06440%0.398CS..Hα-helixtrans-58.9-41.4173.6-72.4-60.1-53.400112.3L122 A126 F145 Q146 K148 F153 T154L122-M150 HydrophobicContact CB-CE 4Å; L122-M150 HydrophobicContact CD2-CE 4.05Å; A126-M150 HydrophobicContact CB-CE 3.92Å; F145-M150 HydrophobicContact CD1-SD 3.73Å; F145-M150 HydrophobicContact CE1-SD 4.22Å; Q146-M150 PolarHBondContact O-N 2.84Å; K148-M150 PolarHBondContact O-N 3.14Å; M150-F153 PolarHBondContact O-N 3.36Å; M150-T154 PolarHBondContact O-N 3.09Å; M150-T154 PolarHBondContact O-OG1 2.97Å
151A83.7Confident79.7Confident45 Ų4571 Ų7137%0.37237%0.367SS..Hα-helixtrans-64-42.4175.700000111.9P147 K148 W149 T154 I155P147-A151 PolarHBondContact O-N 3.35Å; P147-A151 VanDerWaalsContact O-N 3.13Å; K148-A151 WeakPolarHBondContact O-CB 3.49Å; K148-A151 PolarHBondContact O-N 3.35Å; W149-A151 VanDerWaalsContact C-N 3.3Å; W149-A151 PolarHBondContact O-N 2.77Å; A151-T154 PolarHBondContact O-N 2.85Å; A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3Å
152I87.9Confident81.5Confident92 Ų9267.7 Ų67.747%0.47236%0.355SS..Hα-helixtrans-61-45.5175.5-65.5165.2000110.6K148 W149 T154 I155 S156K148-I152 WeakPolarHBondContact O-CG1 3.34Å; K148-I152 PolarHBondContact O-N 3.29Å; W149-I152 HydrophobicContact CE3-CD1 4.16Å; W149-I152 HydrophobicContact CZ3-CD1 4.45Å; W149-I152 PolarHBondContact O-N 2.98Å; W149-I152 VanDerWaalsContact O-N 3.16Å; I152-T154 PolarHBondContact O-N 3.45Å; I152-I155 PolarHBondContact O-N 3.47Å; I152-S156 WeakPolarHBondContact O-CB 3.16Å; I152-S156 PolarHBondContact O-N 3.17Å
153F87.6Confident83.1Confident79 Ų7968 Ų6835%0.34635%0.349SS..Hα-helixtrans-61.8-42.8176.1-76.1-60.4000112.1L122 L144 W149 M150 S156 C157L122-F153 HydrophobicContact CD2-CB 4.32Å; L144-F153 HydrophobicContact CD2-CZ 4.31Å; W149-F153 HydrophobicContact CB-CD2 4.45Å; W149-F153 HydrophobicContact CB-CE2 4.29Å; W149-F153 WeakPolarHBondContact O-CD2 3.06Å; W149-F153 PolarHBondContact O-N 3.48Å; M150-F153 PolarHBondContact O-N 3.36Å; F153-S156 PolarHBondContact O-N 3.41Å; F153-C157 WeakPolarHBondContact O-CB 3.32Å; F153-C157 PolarHBondContact O-N 3.08Å; F153-C157 PolarHBondContact O-SG 2.62Å
154T87.1Confident84.5Confident8 Ų863.6 Ų63.65%0.04933%0.329CS..Hα-helixtrans-59.3-49.3175.2-58.20000111T66 L122 M150 A151 I152 S156 C157 I158T66-T154 HydrophobicContact CG2-CG2 4.24Å; L122-T154 WeakPolarHBondContact CD1-OG1 3.17Å; M150-T154 PolarHBondContact O-N 3.09Å; M150-T154 PolarHBondContact O-OG1 2.97Å; A151-T154 PolarHBondContact O-N 2.85Å; I152-T154 PolarHBondContact O-N 3.45Å; T154-S156 VanDerWaalsContact C-N 3.35Å; T154-S156 PolarHBondContact O-N 3.35Å; T154-C157 PolarHBondContact O-N 3.39Å; T154-I158 HydrophobicContact CG2-CD1 3.85Å; T154-I158 WeakPolarHBondContact O-CD1 3.3Å; T154-I158 WeakPolarHBondContact O-CG1 3.16Å; T154-I158 PolarHBondContact O-N 2.74Å
155I90.8Very high86Confident113 Ų11359.4 Ų59.458%0.57931%0.307SS*.Hα-helixtrans-62-43.8178.9-66.8165.7000110.8A151 I152 I158 L159A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3Å; I152-I155 PolarHBondContact O-N 3.47Å; I155-I158 PolarHBondContact O-N 2.92Å; I155-L159 WeakPolarHBondContact O-CB 3.36Å; I155-L159 PolarHBondContact O-N 2.98Å
156S91.7Very high87.3Confident59 Ų5958.5 Ų58.541%0.41331%0.31SS..Hα-helixtrans-61.1-45.7177.4-172.40000111.6I152 F153 T154 I158 L159 T160I152-S156 WeakPolarHBondContact O-CB 3.16Å; I152-S156 PolarHBondContact O-N 3.17Å; F153-S156 PolarHBondContact O-N 3.41Å; T154-S156 VanDerWaalsContact C-N 3.35Å; T154-S156 PolarHBondContact O-N 3.35Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 3.01Å; S156-L159 PolarHBondContact O-N 3.09Å; S156-T160 WeakPolarHBondContact O-CB 3.43Å; S156-T160 PolarHBondContact O-N 2.85Å; S156-T160 PolarHBondContact O-OG1 3.38Å
157C91.4Very high88.1Confident16 Ų1657.9 Ų57.911%0.10831%0.309CS..Hα-helixtrans-65-38.5179.6-65.60000111.9W118 F153 T154 G161W118-C157 HydrophobicContact CB-CB 3.76Å; W118-C157 HydrophobicContact CD2-CB 4.19Å; W118-C157 HydrophobicContact CE3-CB 4.43Å; W118-C157 HydrophobicContact CG-CB 3.9Å; F153-C157 WeakPolarHBondContact O-CB 3.32Å; F153-C157 PolarHBondContact O-N 3.08Å; F153-C157 PolarHBondContact O-SG 2.62Å; T154-C157 PolarHBondContact O-N 3.39Å; C157-G161 PolarHBondContact O-N 3.12Å
158I91.7Very high88.7Confident37 Ų3756.8 Ų56.819%0.1929%0.293CS..Hα-helixtrans-60.7-53.1173.7-68.4163.8000109.6T66 F70 T154 I155 S156 T160 G161 F162T66-I158 HydrophobicContact CG2-CD1 4.02Å; F70-I158 HydrophobicContact CE1-CG2 4.47Å; F70-I158 HydrophobicContact CE2-CD1 3.6Å; F70-I158 HydrophobicContact CE2-CG1 3.73Å; F70-I158 HydrophobicContact CZ-CB 4.39Å; F70-I158 HydrophobicContact CZ-CD1 3.79Å; F70-I158 HydrophobicContact CZ-CG1 3.77Å; F70-I158 HydrophobicContact CZ-CG2 3.71Å; T154-I158 HydrophobicContact CG2-CD1 3.85Å; T154-I158 WeakPolarHBondContact O-CD1 3.3Å; T154-I158 WeakPolarHBondContact O-CG1 3.16Å; T154-I158 PolarHBondContact O-N 2.74Å; I155-I158 PolarHBondContact O-N 2.92Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 3.01Å; I158-T160 PolarHBondContact O-N 2.99Å; I158-G161 PolarHBondContact O-N 2.89Å; I158-G161 VanDerWaalsContact O-N 3.12Å; I158-F162 HydrophobicContact CG2-CD2 3.96Å; I158-F162 HydrophobicContact CG2-CE2 4.02Å; I158-F162 WeakPolarHBondContact O-CD2 3.28Å; I158-F162 PolarHBondContact O-N 3.26Å
159L93.4Very high88.9Confident105 Ų10550.3 Ų50.355%0.5527%0.266SS..Hα-helixtrans-59.8-47.8-177.9-174.966.7000111.5I155 S156 G161 F162 I163I155-L159 WeakPolarHBondContact O-CB 3.36Å; I155-L159 PolarHBondContact O-N 2.98Å; S156-L159 PolarHBondContact O-N 3.09Å; L159-G161 VanDerWaalsContact C-N 3.29Å; L159-G161 PolarHBondContact O-N 3.47Å; L159-F162 PolarHBondContact O-N 3Å; L159-I163 HydrophobicContact CD1-CD1 4.26Å; L159-I163 HydrophobicContact CD2-CD1 4.43Å; L159-I163 HydrophobicContact CG-CD1 3.83Å; L159-I163 VanDerWaalsContact O-CG1 3.28Å; L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.02Å
160T92Very high88.9Confident48 Ų4850.2 Ų50.229%0.29427%0.268SS..Hα-helixtrans-60.2-39.2176-55.80000111.5S156 I158 I163 L164 F202S156-T160 WeakPolarHBondContact O-CB 3.43Å; S156-T160 PolarHBondContact O-N 2.85Å; S156-T160 PolarHBondContact O-OG1 3.38Å; I158-T160 PolarHBondContact O-N 2.99Å; T160-I163 PolarHBondContact O-N 2.97Å; T160-L164 HydrophobicContact CG2-CD1 3.87Å; T160-L164 HydrophobicContact CG2-CG 4.24Å; T160-L164 WeakPolarHBondContact O-CB 3.29Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 3.48Å; T160-F202 HydrophobicContact CG2-CE1 3.79Å; T160-F202 HydrophobicContact CG2-CE2 4.13Å; T160-F202 HydrophobicContact CG2-CZ 3.56Å
161G90.8Very high88.8Confident0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-61.9-44.1176.400000113.3C114 C157 I158 L159 S165C114-G161 VanDerWaalsContact SG-CA 3.51Å; C157-G161 PolarHBondContact O-N 3.12Å; I158-G161 PolarHBondContact O-N 2.89Å; I158-G161 VanDerWaalsContact O-N 3.12Å; L159-G161 VanDerWaalsContact C-N 3.29Å; L159-G161 PolarHBondContact O-N 3.47Å; G161-S165 VanDerWaalsContact O-CB 3.27Å; G161-S165 WeakPolarHBondContact O-CB 3.44Å; G161-S165 PolarHBondContact O-N 3.13Å
162F93Very high88.3Confident48 Ų4850.7 Ų50.721%0.21126%0.263CS..Hα-helixtrans-69.6-39.4175.7-83.3-85.6000112.8F70 L73 F108 I158 L159 S165 A166F70-F162 AromaticContact CE1-CE2 3.85Å; F70-F162 HydrophobicContact CE1-CE2 3.85Å; F70-F162 HydrophobicContact CE1-CZ 4.22Å; F70-F162 HydrophobicContact CZ-CE2 4.45Å; L73-F162 HydrophobicContact CD2-CZ 4.34Å; F108-F162 AromaticContact CD1-CE1 3.91Å; F108-F162 HydrophobicContact CD1-CE1 3.91Å; F108-F162 HydrophobicContact CD1-CZ 4.45Å; F108-F162 HydrophobicContact CE1-CE1 4.25Å; I158-F162 HydrophobicContact CG2-CD2 3.96Å; I158-F162 HydrophobicContact CG2-CE2 4.02Å; I158-F162 WeakPolarHBondContact O-CD2 3.28Å; I158-F162 PolarHBondContact O-N 3.26Å; L159-F162 PolarHBondContact O-N 3Å; F162-S165 PolarHBondContact O-N 3.44Å; F162-A166 WeakPolarHBondContact O-CB 3.22Å; F162-A166 PolarHBondContact O-N 3.42Å
163I92.9Very high87.7Confident88 Ų8847.7 Ų47.745%0.45125%0.247SC..Hα-helixtrans-61.3-48.6175.8-69.8168.2000110.3L159 T160 S165 A166 L167L159-I163 HydrophobicContact CD1-CD1 4.26Å; L159-I163 HydrophobicContact CD2-CD1 4.43Å; L159-I163 HydrophobicContact CG-CD1 3.83Å; L159-I163 VanDerWaalsContact O-CG1 3.28Å; L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.02Å; T160-I163 PolarHBondContact O-N 2.97Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 PolarHBondContact O-N 3.46Å; I163-A166 PolarHBondContact O-N 3.26Å; I163-L167 HydrophobicContact CG2-CD1 4.07Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.01Å
164L90.8Very high87.1Confident19 Ų1944.7 Ų44.710%0.09923%0.234CC..Hα-helixtrans-67.1-35178.8-66.3170.7000112T160 A166 L167 R168 L198 F199 F202T160-L164 HydrophobicContact CG2-CD1 3.87Å; T160-L164 HydrophobicContact CG2-CG 4.24Å; T160-L164 WeakPolarHBondContact O-CB 3.29Å; T160-L164 VanDerWaalsContact O-CG 3.3Å; T160-L164 WeakPolarHBondContact O-CG 3.43Å; T160-L164 PolarHBondContact O-N 3.48Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-L167 HydrophobicContact CD2-CD1 4.33Å; L164-L167 PolarHBondContact O-N 3.45Å; L164-R168 WeakPolarHBondContact O-CB 3.36Å; L164-R168 PolarHBondContact O-N 3.06Å; L164-L198 HydrophobicContact CD2-CD2 4.26Å; L164-F199 HydrophobicContact CB-CD2 3.68Å; L164-F199 HydrophobicContact CB-CE2 4.39Å; L164-F202 HydrophobicContact CD1-CB 3.97Å; L164-F202 HydrophobicContact CD1-CD1 3.41Å; L164-F202 VanDerWaalsContact CD1-CD1 3.41Å; L164-F202 HydrophobicContact CD1-CD2 4.45Å; L164-F202 HydrophobicContact CD1-CE1 3.97Å; L164-F202 HydrophobicContact CD1-CG 3.69Å
165S89.5Confident86.4Confident1 Ų145.1 Ų45.11%0.00724%0.236CC..Hα-helixtrans-61.8-41.5173.1-170.50000111.9I107 G110 G111 G161 F162 I163 R168I107-S165 WeakPolarHBondContact CA-OG 3.44Å; I107-S165 PolarHBondContact O-OG 2.93Å; G110-S165 WeakPolarHBondContact CA-OG 3.38Å; G111-S165 PolarHBondContact N-OG 3.15Å; G161-S165 VanDerWaalsContact O-CB 3.27Å; G161-S165 WeakPolarHBondContact O-CB 3.44Å; G161-S165 PolarHBondContact O-N 3.13Å; F162-S165 PolarHBondContact O-N 3.44Å; I163-S165 VanDerWaalsContact C-N 3.33Å; I163-S165 PolarHBondContact O-N 3.46Å; S165-R168 WeakPolarHBondContact O-CB 3.48Å; S165-R168 PolarHBondContact O-N 3.38Å
166A89.2Confident85.7Confident39 Ų3940.9 Ų40.932%0.32222%0.215SC..Hα-helixtrans-67.9-41.5174.400000112F162 I163 L164 R168 L169F162-A166 WeakPolarHBondContact O-CB 3.22Å; F162-A166 PolarHBondContact O-N 3.42Å; I163-A166 PolarHBondContact O-N 3.26Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-R168 PolarHBondContact O-N 2.71Å; A166-L169 WeakPolarHBondContact O-CB 3.45Å; A166-L169 PolarHBondContact O-N 2.83Å
167L89.3Confident84.9Confident66 Ų6638.3 Ų38.335%0.34620%0.197SC..Hα-helixtrans-62.8-32.7175.8-73.3173.3000112.3I163 L164 L169 F170 V195I163-L167 HydrophobicContact CG2-CD1 4.07Å; I163-L167 HydrophobicContact CG2-CG 4.46Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.01Å; L164-L167 HydrophobicContact CD2-CD1 4.33Å; L164-L167 PolarHBondContact O-N 3.45Å; L167-L169 PolarHBondContact O-N 3.05Å; L167-F170 HydrophobicContact CD2-CD2 4.2Å; L167-F170 HydrophobicContact CD2-CE2 4.15Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 WeakPolarHBondContact O-CD2 3.43Å; L167-F170 PolarHBondContact O-N 2.91Å; L167-F170 VanDerWaalsContact O-N 3.11Å; L167-V195 HydrophobicContact CB-CG1 4.06Å
168R85.3Confident84.2Confident66 Ų6640.9 Ų40.925%0.24921%0.209CC..Hα-helixtrans-62.4-22.2174.1-168.3-178.9174.4-168.3-3.3112.6F106 L164 S165 A166 F170 E171 F199F106-R168 HydrophobicContact CE1-CB 4.23Å; F106-R168 HydrophobicContact CE1-CG 4.14Å; F106-R168 HydrophobicContact CZ-CG 3.92Å; L164-R168 WeakPolarHBondContact O-CB 3.36Å; L164-R168 PolarHBondContact O-N 3.06Å; S165-R168 WeakPolarHBondContact O-CB 3.48Å; S165-R168 PolarHBondContact O-N 3.38Å; A166-R168 PolarHBondContact O-N 2.71Å; R168-F170 PolarHBondContact O-N 2.81Å; R168-E171 IonicContact NE-OE2 3Å; R168-E171 WeakPolarHBondContact O-CB 3.25Å; R168-E171 PolarHBondContact O-N 3.41Å; R168-F199 VanDerWaalsContact NH1-CE1 3.31Å
169L83.8Confident83.3Confident22 Ų2244.5 Ų44.512%0.11523%0.229CC..G310 helixtrans-60.4-31.2174.6-169.268.5000112.1F3 I103 F106 A166 L167 E171 M172F3-L169 HydrophobicContact CE2-CG 4.25Å; F3-L169 HydrophobicContact CZ-CD2 4Å; F3-L169 HydrophobicContact CZ-CG 4.07Å; I103-L169 HydrophobicContact CB-CD1 4.44Å; I103-L169 HydrophobicContact CG1-CD1 4.12Å; I103-L169 HydrophobicContact CG2-CD1 3.88Å; I103-L169 HydrophobicContact CG2-CD2 3.67Å; I103-L169 HydrophobicContact CG2-CG 4.46Å; F106-L169 HydrophobicContact CD1-CD1 4.28Å; A166-L169 WeakPolarHBondContact O-CB 3.45Å; A166-L169 PolarHBondContact O-N 2.83Å; L167-L169 PolarHBondContact O-N 3.05Å; L169-E171 PolarHBondContact O-N 3.49Å; L169-M172 HydrophobicContact CD1-CE 3.77Å; L169-M172 PolarHBondContact O-N 2.96Å; L169-M172 VanDerWaalsContact O-O 3.14Å
170F83.2Confident82.1Confident90 Ų9042.3 Ų42.340%0.39522%0.216SC..G310 helixtrans-70.2-11177.3-62.6-68.1000113.8F3 L167 R168 M172 W192F3-F170 AromaticContact CD2-CD1 3.87Å; F3-F170 HydrophobicContact CD2-CD1 3.87Å; F3-F170 HydrophobicContact CD2-CE1 4.21Å; F3-F170 HydrophobicContact CE2-CD1 4.24Å; L167-F170 HydrophobicContact CD2-CD2 4.2Å; L167-F170 HydrophobicContact CD2-CE2 4.15Å; L167-F170 WeakPolarHBondContact O-CB 3.4Å; L167-F170 WeakPolarHBondContact O-CD2 3.43Å; L167-F170 PolarHBondContact O-N 2.91Å; L167-F170 VanDerWaalsContact O-N 3.11Å; R168-F170 PolarHBondContact O-N 2.81Å; F170-M172 PolarHBondContact O-N 3.23Å; F170-W192 HydrophobicContact CB-CD2 4.01Å; F170-W192 HydrophobicContact CB-CE3 4.09Å; F170-W192 HydrophobicContact CB-CG 4.47Å; F170-W192 HydrophobicContact CB-CZ3 4.43Å
171E79.3Confident81Confident34 Ų3446.1 Ų46.116%0.15923%0.234CC..G310 helixtrans-66.2-24.9166.8-163.6-166.3161.300111.4R168 L169 N189 K196R168-E171 IonicContact NE-OE2 3Å; R168-E171 WeakPolarHBondContact O-CB 3.25Å; R168-E171 PolarHBondContact O-N 3.41Å; L169-E171 PolarHBondContact O-N 3.49Å; E171-N189 WeakPolarHBondContact O-CB 3.22Å; E171-N189 PolarHBondContact O-N 3.45Å; E171-K196 VanDerWaalsContact OE1-CD 3.24Å; E171-K196 WeakPolarHBondContact OE1-CD 3.45Å
172M73.5Confident79.9Confident35 Ų3550.5 Ų50.517%0.17226%0.258CS..EExtended strand (participates in β ladder)trans-101.9120.7178-61.3-171.9-68.300109.4F106 L169 F170 L186F106-M172 HydrophobicContact CD1-CE 4.11Å; F106-M172 HydrophobicContact CD2-CE 4.15Å; F106-M172 HydrophobicContact CE1-CE 4.03Å; F106-M172 HydrophobicContact CE2-CE 4.07Å; F106-M172 HydrophobicContact CG-CE 4.16Å; F106-M172 HydrophobicContact CZ-CE 4Å; L169-M172 HydrophobicContact CD1-CE 3.77Å; L169-M172 PolarHBondContact O-N 2.96Å; L169-M172 VanDerWaalsContact O-O 3.14Å; F170-M172 PolarHBondContact O-N 3.23Å; M172-L186 HydrophobicContact CB-CD2 4.18Å; M172-L186 HydrophobicContact CE-CD2 3.94Å; M172-L186 HydrophobicContact SD-CD2 3.67Å
173H74.9Confident78.7Confident29 Ų2953.3 Ų53.313%0.13427%0.267CS..EExtended strand (participates in β ladder)trans-88134.5170-173.4-80.1000109.7N2 T5 D175 L186 I187 N189N2-H173 PolarHBondContact O-CD2 2.99Å; N2-H173 PolarHBondContact O-NE2 3.16Å; T5-H173 VanDerWaalsContact CB-CE1 3.46Å; T5-H173 WeakPolarHBondContact CB-CE1 3.49Å; T5-H173 WeakPolarHBondContact CG2-CE1 3.5Å; T5-H173 WeakPolarHBondContact CG2-NE2 3.28Å; T5-H173 PolarHBondContact N-CE1 3.47Å; T5-H173 PolarHBondContact OG1-CE1 2.94Å; T5-H173 VanDerWaalsContact OG1-CE1 3.29Å; H173-D175 IonicContact CE1-OD1 3.97Å; H173-D175 PolarHBondContact CE1-OD1 3.47Å; H173-D175 IonicContact CG-OD1 3.5Å; H173-D175 IonicContact ND1-OD1 3.16Å; H173-D175 PolarHBondContact ND1-OD1 2.87Å; H173-L186 CarbonylContact O-C 3.6Å; H173-L186 WeakPolarHBondContact O-CA 3.4Å; H173-I187 PolarHBondContact N-O 3.27Å; H173-I187 PolarHBondContact O-N 3.46Å; H173-N189 HydrophobicContact CB-CB 4.44Å
174I75.1Confident77.5Confident15 Ų1551.3 Ų51.38%0.07726%0.256CS..EExtended strand (participates in β ladder)trans-93.7108.6177.7-57.6-173.6000108.8F3 V4 T5 I103 I176 I184F3-I174 HydrophobicContact CD1-CD1 4.2Å; F3-I174 HydrophobicContact CE1-CD1 3.33Å; F3-I174 HydrophobicContact CE1-CG1 3.96Å; F3-I174 HydrophobicContact CZ-CD1 3.59Å; F3-I174 HydrophobicContact CZ-CG1 3.95Å; F3-I174 PolarHBondContact O-N 3.22Å; V4-I174 VanDerWaalsContact CA-O 3.29Å; V4-I174 WeakPolarHBondContact CA-O 3.18Å; V4-I174 HydrophobicContact CG2-CB 4.41Å; T5-I174 PolarHBondContact N-O 3.02Å; I103-I174 HydrophobicContact CD1-CD1 4.1Å; I174-I176 HydrophobicContact CG2-CG1 4.42Å; I174-I184 HydrophobicContact CG2-CG2 3.37Å
175D73.3Confident76.4Confident17 Ų1754.9 Ų54.99%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-96.7120.9172-84.77.3000110.1T5 H173 I184 L185 I187T5-D175 WeakPolarHBondContact O-CA 3.07Å; T5-D175 PolarHBondContact OG1-OD1 3.05Å; H173-D175 IonicContact CE1-OD1 3.97Å; H173-D175 PolarHBondContact CE1-OD1 3.47Å; H173-D175 IonicContact CG-OD1 3.5Å; H173-D175 IonicContact ND1-OD1 3.16Å; H173-D175 PolarHBondContact ND1-OD1 2.87Å; D175-I184 CarbonylContact O-C 3.6Å; D175-I184 WeakPolarHBondContact O-CA 3.37Å; D175-L185 HydrophobicContact CB-CB 4.41Å; D175-L185 PolarHBondContact N-O 3.37Å; D175-L185 PolarHBondContact O-N 2.93Å; D175-I187 HydrophobicContact CB-CD1 4.16Å; D175-I187 HydrophobicContact CB-CG1 4.45Å; D175-I187 WeakPolarHBondContact OD2-CD1 3.38Å
176I75.5Confident75.4Confident25 Ų2557.4 Ų57.413%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-96.8110.2172.7-57.8176.7000107.6V4 T5 Y6 N7 I174 L178 N182 I184V4-I176 HydrophobicContact CG1-CD1 3.57Å; V4-I176 HydrophobicContact CG1-CG1 4.04Å; T5-I176 PolarHBondContact O-N 2.85Å; Y6-I176 HydrophobicContact CD1-CB 3.88Å; Y6-I176 HydrophobicContact CD1-CD1 4.25Å; Y6-I176 HydrophobicContact CD1-CG2 4.05Å; Y6-I176 HydrophobicContact CE1-CB 4.08Å; Y6-I176 HydrophobicContact CE1-CD1 3.58Å; Y6-I176 HydrophobicContact CE1-CG1 4.38Å; Y6-I176 HydrophobicContact CE1-CG2 4.13Å; N7-I176 PolarHBondContact N-O 3.02Å; I174-I176 HydrophobicContact CG2-CG1 4.42Å; I176-L178 HydrophobicContact CG2-CD2 4.45Å; I176-L178 PolarHBondContact O-N 3.21Å; I176-N182 HydrophobicContact CG2-CB 4.29Å; I176-I184 HydrophobicContact CG1-CG1 4.4Å
177C76.1Confident74.5Confident5 Ų558.5 Ų58.53%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-84.9100.8179.6-65.10000110.3N7 C10 N179 Q180 N182 R183N7-C177 WeakPolarHBondContact O-CA 3.48Å; C10-C177 HydrophobicContact CB-CB 3.54Å; C10-C177 WeakPolarHBondContact CB-SG 3.46Å; C10-C177 WeakPolarHBondContact SG-CA 3.34Å; C10-C177 WeakPolarHBondContact SG-CB 3.47Å; C10-C177 CovalentContact SG-SG 2.03Å; C10-C177 PolarHBondContact SG-SG 2.91Å; C177-N179 PolarHBondContact O-N 2.87Å; C177-Q180 PolarHBondContact O-N 3.11Å; C177-N182 VanDerWaalsContact O-CA 3.28Å; C177-N182 WeakPolarHBondContact O-CA 3.3Å; C177-N182 PolarHBondContact O-N 3.48Å; C177-R183 PolarHBondContact N-O 3.49Å; C177-R183 PolarHBondContact O-N 3.3Å
178L75Confident73.6Confident70 Ų7060.3 Ų60.337%0.36630%0.304SS..G310 helixtrans-68.2-34.8-176.3-68.5175.6000112.4Y6 N7 D8 I176 Q180 N182Y6-L178 HydrophobicContact CD1-CD1 4.41Å; Y6-L178 HydrophobicContact CD1-CD2 4.12Å; Y6-L178 HydrophobicContact CD1-CG 4.38Å; N7-L178 PolarHBondContact O-N 2.93Å; N7-L178 VanDerWaalsContact O-N 3.17Å; D8-L178 VanDerWaalsContact OD1-CB 3.29Å; D8-L178 WeakPolarHBondContact OD1-CB 3.38Å; D8-L178 WeakPolarHBondContact OD1-CD1 3.33Å; I176-L178 HydrophobicContact CG2-CD2 4.45Å; I176-L178 PolarHBondContact O-N 3.21Å; L178-Q180 PolarHBondContact O-N 2.93Å; L178-N182 VanDerWaalsContact CD2-OD1 3.24Å; L178-N182 WeakPolarHBondContact CD2-OD1 3.44Å
179N74.4Confident73.2Confident112 Ų11259 Ų5960%0.59930%0.302SS*.G310 helixtrans-70.6-9-179.9-170.97.1000114D8 C177D8-N179 WeakPolarHBondContact O-CB 3.31Å; D8-N179 PolarHBondContact O-ND2 3.36Å; C177-N179 PolarHBondContact O-N 2.87Å
180Q68.1Low72.8Confident60 Ų6063 Ų6328%0.2833%0.331SS..G310 helixtrans-13162.9-178.7-64.7-172.5-6.400111.4I12 C177 L178 N182 R183I12-Q180 VanDerWaalsContact CD1-OE1 3.24Å; C177-Q180 PolarHBondContact O-N 3.11Å; L178-Q180 PolarHBondContact O-N 2.93Å; Q180-N182 VanDerWaalsContact C-N 3.29Å; Q180-N182 PolarHBondContact O-N 3.39Å; Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 VanDerWaalsContact O-CG 3.26Å; Q180-R183 WeakPolarHBondContact O-CG 3.2Å; Q180-R183 PolarHBondContact O-N 2.95Å; Q180-R183 VanDerWaalsContact O-N 3.13Å
181N68.1Low72.5Confident127 Ų12764.4 Ų64.468%0.67934%0.339SS*.THydrogen-bonded Turntrans52.640.7176.8-66.2-10.9000113.8R183N181-R183 PolarHBondContact O-N 3.13Å
182N67.4Low72.5Confident93 Ų9366.7 Ų66.750%0.49735%0.347SS..THydrogen-bonded Turntrans54.337.2-179-60.9-21.1000113.5I176 C177 L178 Q180 I184I176-N182 HydrophobicContact CG2-CB 4.29Å; C177-N182 VanDerWaalsContact O-CA 3.28Å; C177-N182 WeakPolarHBondContact O-CA 3.3Å; C177-N182 PolarHBondContact O-N 3.48Å; L178-N182 VanDerWaalsContact CD2-OD1 3.24Å; L178-N182 WeakPolarHBondContact CD2-OD1 3.44Å; Q180-N182 VanDerWaalsContact C-N 3.29Å; Q180-N182 PolarHBondContact O-N 3.39Å; N182-I184 PolarHBondContact O-N 3.48Å
183R68.9Low72.7Confident107 Ų10770.2 Ų70.240%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-63.1135.2174.7-84.5-178.9176.4-169.47110.6D92 C177 Q180 N181D92-R183 IonicContact OD1-CZ 3.72Å; D92-R183 IonicContact OD1-NE 3.86Å; D92-R183 PolarHBondContact OD1-NE 2.98Å; D92-R183 IonicContact OD1-NH2 3.6Å; D92-R183 PolarHBondContact OD1-NH2 2.73Å; D92-R183 IonicContact OD2-CZ 2.62Å; D92-R183 IonicContact OD2-NE 2.71Å; D92-R183 IonicContact OD2-NH2 3.38Å; D92-R183 PolarHBondContact OD2-NH2 3.2Å; C177-R183 PolarHBondContact N-O 3.49Å; C177-R183 PolarHBondContact O-N 3.3Å; Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 VanDerWaalsContact O-CG 3.26Å; Q180-R183 WeakPolarHBondContact O-CG 3.2Å; Q180-R183 PolarHBondContact O-N 2.95Å; Q180-R183 VanDerWaalsContact O-N 3.13Å; N181-R183 PolarHBondContact O-N 3.13Å
184I67.6Low73.1Confident45 Ų4575.1 Ų75.123%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-98.6114.2-178.4-55178.5000108.1T99 I174 D175 I176 N182T99-I184 HydrophobicContact CG2-CG2 4.26Å; I174-I184 HydrophobicContact CG2-CG2 3.37Å; D175-I184 CarbonylContact O-C 3.6Å; D175-I184 WeakPolarHBondContact O-CA 3.37Å; I176-I184 HydrophobicContact CG1-CG1 4.4Å; N182-I184 PolarHBondContact O-N 3.48Å
185L67.9Low73.6Confident94 Ų9475.6 Ų75.649%0.49239%0.387SS..EExtended strand (participates in β ladder)trans-104.9135.9175.2-17367.1000109.6D175 I187D175-L185 HydrophobicContact CB-CB 4.41Å; D175-L185 PolarHBondContact N-O 3.37Å; D175-L185 PolarHBondContact O-N 2.93Å; L185-I187 HydrophobicContact CD2-CD1 3.89Å; L185-I187 HydrophobicContact CD2-CG1 3.76Å; L185-I187 HydrophobicContact CG-CG1 3.94Å
186L67Low74Confident55 Ų5576.3 Ų76.329%0.28839%0.39SS..EExtended strand (participates in β ladder)trans-98113.5171.1-74.580.6000108.2M172 H173M172-L186 HydrophobicContact CB-CD2 4.18Å; M172-L186 HydrophobicContact CE-CD2 3.94Å; M172-L186 HydrophobicContact SD-CD2 3.67Å; H173-L186 CarbonylContact O-C 3.6Å; H173-L186 WeakPolarHBondContact O-CA 3.4Å
187I71.2Confident74.5Confident62 Ų6278.5 Ų78.532%0.31840%0.401SS..EExtended strand (participates in β ladder)trans-105.6134.1179.2-55.9-171.8000109H173 D175 L185 N189H173-I187 PolarHBondContact N-O 3.27Å; H173-I187 PolarHBondContact O-N 3.46Å; D175-I187 HydrophobicContact CB-CD1 4.16Å; D175-I187 HydrophobicContact CB-CG1 4.45Å; D175-I187 WeakPolarHBondContact OD2-CD1 3.38Å; L185-I187 HydrophobicContact CD2-CD1 3.89Å; L185-I187 HydrophobicContact CD2-CG1 3.76Å; L185-I187 HydrophobicContact CG-CG1 3.94Å; I187-N189 PolarHBondContact O-N 2.9Å
188P71.1Confident75Confident104 Ų10482.9 Ų82.968%0.67542%0.424SS*.EExtended strand (participates in β ladder)trans-64.7125.6175.426.5-33.8000111
189N75.2Confident75.7Confident39 Ų3979.6 Ų79.621%0.20941%0.407CS..  trans-89112.1173.5-172.6-4.3000110.4E171 H173 I187 E191 W192E171-N189 WeakPolarHBondContact O-CB 3.22Å; E171-N189 PolarHBondContact O-N 3.45Å; H173-N189 HydrophobicContact CB-CB 4.44Å; I187-N189 PolarHBondContact O-N 2.9Å; N189-E191 VanDerWaalsContact C-N 3.26Å; N189-E191 PolarHBondContact O-N 3.45Å; N189-E191 PolarHBondContact OD1-N 2.76Å; N189-W192 VanDerWaalsContact ND2-CD1 3.31Å; N189-W192 PolarHBondContact O-N 2.89Å
190S75.7Confident76.3Confident104 Ų10475.5 Ų75.573%0.72738%0.384SS*.G310 helixtrans-63.4-25.9-177.568.20000114.6W192 R193S190-W192 VanDerWaalsContact C-N 3.28Å; S190-W192 PolarHBondContact O-N 3.23Å; S190-R193 WeakPolarHBondContact O-CB 3.42Å; S190-R193 PolarHBondContact O-N 3.49Å
191E78.1Confident77.3Confident121 Ų12175.5 Ų75.557%0.56539%0.388SS*.G310 helixtrans-70.5-25.4-176.2-63-176.1150.400112.7M1 N189 R193M1-E191 WeakPolarHBondContact CE-OE2 3.2Å; N189-E191 VanDerWaalsContact C-N 3.26Å; N189-E191 PolarHBondContact O-N 3.45Å; N189-E191 PolarHBondContact OD1-N 2.76Å; E191-R193 VanDerWaalsContact C-N 3.34Å
192W78.2Confident78.3Confident82 Ų8271.2 Ų71.231%0.31136%0.363SS..G310 helixtrans-9413-177.5-73.281.9000113.6F170 N189 S190 I194 V195 K196F170-W192 HydrophobicContact CB-CD2 4.01Å; F170-W192 HydrophobicContact CB-CE3 4.09Å; F170-W192 HydrophobicContact CB-CG 4.47Å; F170-W192 HydrophobicContact CB-CZ3 4.43Å; N189-W192 VanDerWaalsContact ND2-CD1 3.31Å; N189-W192 PolarHBondContact O-N 2.89Å; S190-W192 VanDerWaalsContact C-N 3.28Å; S190-W192 PolarHBondContact O-N 3.23Å; W192-I194 PolarHBondContact O-N 2.99Å; W192-V195 HydrophobicContact CE3-CB 4.24Å; W192-V195 HydrophobicContact CE3-CG2 3.52Å; W192-V195 HydrophobicContact CZ3-CG2 3.88Å; W192-V195 WeakPolarHBondContact O-CB 3.49Å; W192-V195 PolarHBondContact O-N 3.13Å; W192-K196 PolarHBondContact O-N 3.11Å
193R79.1Confident79.5Confident109 Ų10967.6 Ų67.641%0.41134%0.343SS..Hα-helixtrans-54.4-36.6177.9-169.6-176.9-166.1151.824.7113.3S190 E191 V195 K196 D197 Y339S190-R193 WeakPolarHBondContact O-CB 3.42Å; S190-R193 PolarHBondContact O-N 3.49Å; E191-R193 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.89Å; R193-K196 WeakPolarHBondContact O-CB 3.27Å; R193-K196 PolarHBondContact O-N 3.17Å; R193-K196 VanDerWaalsContact O-N 3.1Å; R193-D197 PolarHBondContact O-N 2.94Å; R193-Y339 PolarHBondContact NH1-OH 3.32Å; R193-Y339 PolarHBondContact NH2-OH 2.83Å
194I82.7Confident80.5Confident132 Ų13262.5 Ų62.568%0.67732%0.324SS*.Hα-helixtrans-58.3-36.7178.5-61.7170.8000111.1W192 D197 L198W192-I194 PolarHBondContact O-N 2.99Å; I194-D197 PolarHBondContact O-N 3.41Å; I194-L198 WeakPolarHBondContact O-CB 3.44Å; I194-L198 PolarHBondContact O-N 3.01Å
195V84.4Confident81.5Confident25 Ų2561.6 Ų61.615%0.15232%0.323CS..Hα-helixtrans-71.5-37.2179176.80000111.3L167 W192 R193 L198 F199L167-V195 HydrophobicContact CB-CG1 4.06Å; W192-V195 HydrophobicContact CE3-CB 4.24Å; W192-V195 HydrophobicContact CE3-CG2 3.52Å; W192-V195 HydrophobicContact CZ3-CG2 3.88Å; W192-V195 WeakPolarHBondContact O-CB 3.49Å; W192-V195 PolarHBondContact O-N 3.13Å; R193-V195 PolarHBondContact O-N 2.89Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-F199 VanDerWaalsContact O-CB 3.3Å; V195-F199 WeakPolarHBondContact O-CB 3.47Å; V195-F199 PolarHBondContact O-N 2.77Å
196K82.7Confident82.7Confident32 Ų3260.2 Ų60.214%0.13932%0.316CS..Hα-helixtrans-58-49.7171.3175.4-179.7163.1-177.80110.8E171 W192 R193 F199 F200 E338E171-K196 VanDerWaalsContact OE1-CD 3.24Å; E171-K196 WeakPolarHBondContact OE1-CD 3.45Å; W192-K196 PolarHBondContact O-N 3.11Å; R193-K196 WeakPolarHBondContact O-CB 3.27Å; R193-K196 PolarHBondContact O-N 3.17Å; R193-K196 VanDerWaalsContact O-N 3.1Å; K196-F199 PolarHBondContact O-N 3.13Å; K196-F200 WeakPolarHBondContact O-CB 3.3Å; K196-F200 PolarHBondContact O-N 3.31Å; K196-E338 VanDerWaalsContact NZ-CD 3.31Å; K196-E338 IonicContact NZ-OE1 3.74Å; K196-E338 PolarHBondContact NZ-OE1 2.95Å; K196-E338 IonicContact NZ-OE2 3.05Å; K196-E338 PolarHBondContact NZ-OE2 3.33Å
197D85.8Confident84Confident70 Ų7057.6 Ų57.637%0.37430%0.302SS..Hα-helixtrans-66.4-39.9-177.5-65.9-18.5000111.5R193 I194 F200 T201R193-D197 PolarHBondContact O-N 2.94Å; I194-D197 PolarHBondContact O-N 3.41Å; D197-F200 PolarHBondContact O-N 3.35Å; D197-T201 VanDerWaalsContact O-CB 3.3Å; D197-T201 WeakPolarHBondContact O-CB 3.47Å; D197-T201 PolarHBondContact O-N 2.99Å; D197-T201 PolarHBondContact O-OG1 2.87Å
198L87.3Confident85Confident97 Ų9755.5 Ų55.551%0.50829%0.291SS..Hα-helixtrans-64.2-47.5175.2-176.568.5000111.7L164 I194 V195 T201 F202L164-L198 HydrophobicContact CD2-CD2 4.26Å; I194-L198 WeakPolarHBondContact O-CB 3.44Å; I194-L198 PolarHBondContact O-N 3.01Å; V195-L198 PolarHBondContact O-N 3.48Å; L198-T201 PolarHBondContact O-N 2.88Å; L198-F202 WeakPolarHBondContact O-CB 3.5Å; L198-F202 PolarHBondContact O-N 3.17Å
199F88Confident86Confident2 Ų255.8 Ų55.81%0.00929%0.287CS..Hα-helixtrans-60.4-46.5176.9174.3-102.5000110.9C114 L164 R168 V195 K196 T201 F202 Q203C114-F199 HydrophobicContact CB-CE2 4.42Å; L164-F199 HydrophobicContact CB-CD2 3.68Å; L164-F199 HydrophobicContact CB-CE2 4.39Å; R168-F199 VanDerWaalsContact NH1-CE1 3.31Å; V195-F199 VanDerWaalsContact O-CB 3.3Å; V195-F199 WeakPolarHBondContact O-CB 3.47Å; V195-F199 PolarHBondContact O-N 2.77Å; K196-F199 PolarHBondContact O-N 3.13Å; F199-T201 PolarHBondContact O-N 2.69Å; F199-F202 PolarHBondContact O-N 3.34Å; F199-Q203 HydrophobicContact CE1-CB 4.43Å; F199-Q203 HydrophobicContact CZ-CB 4.4Å; F199-Q203 HydrophobicContact CZ-CG 4.44Å; F199-Q203 VanDerWaalsContact CZ-OE1 3.3Å; F199-Q203 WeakPolarHBondContact O-CB 3.15Å; F199-Q203 PolarHBondContact O-N 2.83Å
200F87.6Confident86.9Confident26 Ų2656.2 Ų56.211%0.11429%0.288CS..Hα-helixtrans-61-43.9177.7173.3-104.2000112.2K196 D197 F202 Q203 S204 A205 F332 V335K196-F200 WeakPolarHBondContact O-CB 3.3Å; K196-F200 PolarHBondContact O-N 3.31Å; D197-F200 PolarHBondContact O-N 3.35Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 3.36Å; F200-Q203 PolarHBondContact O-N 3.3Å; F200-S204 WeakPolarHBondContact O-CB 3.31Å; F200-S204 PolarHBondContact O-N 2.86Å; F200-A205 PolarHBondContact O-N 3.34Å; F200-F332 AromaticContact CE1-CD2 3.78Å; F200-F332 HydrophobicContact CE1-CD2 3.78Å; F200-F332 AromaticContact CE1-CE2 3.82Å; F200-F332 HydrophobicContact CE1-CE2 3.82Å; F200-F332 HydrophobicContact CE2-CD2 4.31Å; F200-F332 HydrophobicContact CZ-CB 4.34Å; F200-F332 AromaticContact CZ-CD2 3.36Å; F200-F332 HydrophobicContact CZ-CD2 3.36Å; F200-F332 AromaticContact CZ-CE2 3.91Å; F200-F332 HydrophobicContact CZ-CE2 3.91Å; F200-F332 HydrophobicContact CZ-CG 4.14Å; F200-F332 WeakPolarHBondContact CZ-O 3.49Å; F200-V335 HydrophobicContact CD1-CG1 4.01Å; F200-V335 HydrophobicContact CD2-CB 3.92Å; F200-V335 HydrophobicContact CD2-CG1 3.59Å; F200-V335 HydrophobicContact CD2-CG2 4.09Å; F200-V335 HydrophobicContact CE1-CB 4.26Å; F200-V335 HydrophobicContact CE1-CG1 3.98Å; F200-V335 HydrophobicContact CE2-CB 3.38Å; F200-V335 HydrophobicContact CE2-CG1 3.56Å; F200-V335 HydrophobicContact CE2-CG2 3.7Å; F200-V335 HydrophobicContact CG-CG1 3.81Å; F200-V335 HydrophobicContact CZ-CB 3.57Å; F200-V335 HydrophobicContact CZ-CG1 3.74Å; F200-V335 HydrophobicContact CZ-CG2 4.37Å
201T88.8Confident87.7Confident59 Ų5951.2 Ų51.236%0.36225%0.254SS..Iπ-helixtrans-61.1-44177.1-59.80000111D197 L198 F199 A205 I206D197-T201 VanDerWaalsContact O-CB 3.3Å; D197-T201 WeakPolarHBondContact O-CB 3.47Å; D197-T201 PolarHBondContact O-N 2.99Å; D197-T201 PolarHBondContact O-OG1 2.87Å; L198-T201 PolarHBondContact O-N 2.88Å; F199-T201 PolarHBondContact O-N 2.69Å; T201-A205 HydrophobicContact CG2-CB 4.17Å; T201-A205 WeakPolarHBondContact O-CB 2.92Å; T201-A205 PolarHBondContact O-N 2.98Å; T201-I206 HydrophobicContact CG2-CD1 4.09Å; T201-I206 HydrophobicContact CG2-CG1 4.11Å; T201-I206 PolarHBondContact O-N 3.22Å
202F90.5Very high88.5Confident37 Ų3747.8 Ų47.816%0.16224%0.241CC..Iπ-helixtrans-73.2-37.6179.5-174.3-99000113.5C114 W118 T160 L164 L198 F199 F200 P207C114-F202 VanDerWaalsContact SG-CD1 3.53Å; C114-F202 VanDerWaalsContact SG-CE1 3.54Å; W118-F202 AromaticContact CD1-CE1 3.78Å; W118-F202 HydrophobicContact CD2-CZ 4.44Å; W118-F202 AromaticContact CE2-CE1 3.93Å; W118-F202 AromaticContact CE2-CE2 3.7Å; W118-F202 AromaticContact CE2-CZ 3.57Å; W118-F202 HydrophobicContact CH2-CE2 4.32Å; W118-F202 AromaticContact CZ2-CD2 3.75Å; W118-F202 HydrophobicContact CZ2-CD2 3.75Å; W118-F202 HydrophobicContact CZ2-CE1 4.44Å; W118-F202 AromaticContact CZ2-CE2 3.4Å; W118-F202 HydrophobicContact CZ2-CE2 3.4Å; W118-F202 HydrophobicContact CZ2-CG 4.41Å; W118-F202 AromaticContact CZ2-CZ 3.79Å; W118-F202 HydrophobicContact CZ2-CZ 3.79Å; W118-F202 AromaticContact NE1-CD1 3.51Å; W118-F202 AromaticContact NE1-CE1 3.19Å; W118-F202 AromaticContact NE1-CE2 3.78Å; W118-F202 AromaticContact NE1-CG 3.94Å; W118-F202 AromaticContact NE1-CZ 3.33Å; W118-F202 VanDerWaalsContact NE1-CZ 3.33Å; W118-F202 PolarHBondContact NE1-O 3.48Å; T160-F202 HydrophobicContact CG2-CE1 3.79Å; T160-F202 HydrophobicContact CG2-CE2 4.13Å; T160-F202 HydrophobicContact CG2-CZ 3.56Å; L164-F202 HydrophobicContact CD1-CB 3.97Å; L164-F202 HydrophobicContact CD1-CD1 3.41Å; L164-F202 VanDerWaalsContact CD1-CD1 3.41Å; L164-F202 HydrophobicContact CD1-CD2 4.45Å; L164-F202 HydrophobicContact CD1-CE1 3.97Å; L164-F202 HydrophobicContact CD1-CG 3.69Å; L198-F202 WeakPolarHBondContact O-CB 3.5Å; L198-F202 PolarHBondContact O-N 3.17Å; F199-F202 PolarHBondContact O-N 3.34Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 3.36Å; F202-P207 WeakPolarHBondContact O-CD 3.4Å; F202-P207 WeakPolarHBondContact O-CG 3.42Å
203Q91.3Very high89.2Confident17 Ų1748.5 Ų48.58%0.07925%0.25CC..Iπ-helixtrans-72.7-40.6-179.6-177.8-161-29.300111.7C114 N117 F199 F200 P207C114-Q203 HydrophobicContact CB-CB 4.47Å; C114-Q203 HydrophobicContact CB-CG 4.16Å; N117-Q203 WeakPolarHBondContact CB-O 3.32Å; N117-Q203 PolarHBondContact ND2-O 3.14Å; F199-Q203 HydrophobicContact CE1-CB 4.43Å; F199-Q203 HydrophobicContact CZ-CB 4.4Å; F199-Q203 HydrophobicContact CZ-CG 4.44Å; F199-Q203 VanDerWaalsContact CZ-OE1 3.3Å; F199-Q203 WeakPolarHBondContact O-CB 3.15Å; F199-Q203 PolarHBondContact O-N 2.83Å; F200-Q203 PolarHBondContact O-N 3.3Å; Q203-P207 WeakPolarHBondContact O-CG 3.48Å
204S89.6Confident89.8Confident1 Ų143.6 Ų43.61%0.00723%0.232CC..Iπ-helixtrans-123.2-58.7-165-51.30000111.9F200 I206 I208F200-S204 WeakPolarHBondContact O-CB 3.31Å; F200-S204 PolarHBondContact O-N 2.86Å; S204-I206 PolarHBondContact O-N 2.89Å; S204-I208 VanDerWaalsContact O-CB 3.29Å; S204-I208 WeakPolarHBondContact O-CB 3.45Å; S204-I208 WeakPolarHBondContact O-CD1 3Å; S204-I208 WeakPolarHBondContact O-CG1 3.27Å; S204-I208 PolarHBondContact O-N 3.35Å
205A90.2Very high90.2Very high25 Ų2538 Ų3821%0.20721%0.205CC..Iπ-helixtrans-60.7-50.2-169.800000112.9F200 T201 L209 F332F200-A205 PolarHBondContact O-N 3.34Å; T201-A205 HydrophobicContact CG2-CB 4.17Å; T201-A205 WeakPolarHBondContact O-CB 2.92Å; T201-A205 PolarHBondContact O-N 2.98Å; A205-L209 WeakPolarHBondContact O-CB 3.25Å; A205-L209 PolarHBondContact O-N 3.23Å; A205-F332 HydrophobicContact CB-CD2 4.16Å; A205-F332 HydrophobicContact CB-CE2 3.59Å
206I92.3Very high90.6Very high66 Ų6641 Ų4134%0.33822%0.218SC..Hα-helixtrans-66.6-52.4-179.5-66.9170.1000111W118 T201 S204 I208 L209 I210W118-I206 HydrophobicContact CH2-CG2 3.66Å; W118-I206 HydrophobicContact CZ2-CB 4.46Å; W118-I206 HydrophobicContact CZ2-CG2 3.87Å; T201-I206 HydrophobicContact CG2-CD1 4.09Å; T201-I206 HydrophobicContact CG2-CG1 4.11Å; T201-I206 PolarHBondContact O-N 3.22Å; S204-I206 PolarHBondContact O-N 2.89Å; I206-I208 PolarHBondContact O-N 3.12Å; I206-L209 PolarHBondContact O-N 3.41Å; I206-I210 HydrophobicContact CG2-CD1 3.66Å; I206-I210 HydrophobicContact CG2-CG1 4.4Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 2.96Å
207P93.5Very high90.9Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-51.9-48.9173.7-35.542.1000114N117 W118 T121 F202 Q203 L209 I210 V211N117-P207 HydrophobicContact CB-CB 4.22Å; N117-P207 HydrophobicContact CB-CG 4.39Å; W118-P207 HydrophobicContact CD2-CG 4.25Å; W118-P207 HydrophobicContact CG-CG 4.47Å; W118-P207 HydrophobicContact CZ2-CG 4.23Å; T121-P207 WeakPolarHBondContact OG1-CA 3.46Å; T121-P207 WeakPolarHBondContact OG1-CB 3.29Å; F202-P207 WeakPolarHBondContact O-CD 3.4Å; F202-P207 WeakPolarHBondContact O-CG 3.42Å; Q203-P207 WeakPolarHBondContact O-CG 3.48Å; P207-L209 PolarHBondContact O-N 2.8Å; P207-I210 PolarHBondContact O-N 3.19Å; P207-V211 WeakPolarHBondContact O-CB 3.41Å; P207-V211 WeakPolarHBondContact O-CG2 3.28Å; P207-V211 PolarHBondContact O-N 3.15Å
208I92.3Very high91Very high18 Ų1839.8 Ų39.89%0.09221%0.213CC..Hα-helixtrans-61.4-47.8180-68.6166.5000110.4S204 I206 I210 V211 V212 F324 E328 F332S204-I208 VanDerWaalsContact O-CB 3.29Å; S204-I208 WeakPolarHBondContact O-CB 3.45Å; S204-I208 WeakPolarHBondContact O-CD1 3Å; S204-I208 WeakPolarHBondContact O-CG1 3.27Å; S204-I208 PolarHBondContact O-N 3.35Å; I206-I208 PolarHBondContact O-N 3.12Å; I208-I210 PolarHBondContact O-N 3.38Å; I208-V211 PolarHBondContact O-N 2.78Å; I208-V212 HydrophobicContact CG2-CG2 4.14Å; I208-V212 WeakPolarHBondContact O-CB 3.49Å; I208-V212 VanDerWaalsContact O-CG2 3.23Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 2.96Å; I208-F324 HydrophobicContact CG1-CE1 4.11Å; I208-F324 HydrophobicContact CG1-CZ 4.34Å; I208-E328 HydrophobicContact CD1-CB 4.24Å; I208-E328 HydrophobicContact CD1-CG 3.94Å; I208-E328 HydrophobicContact CG1-CB 4.48Å; I208-E328 HydrophobicContact CG1-CG 4.31Å; I208-F332 HydrophobicContact CD1-CB 3.68Å; I208-F332 HydrophobicContact CD1-CG 4.15Å
209L93Very high91.1Very high110 Ų11039.6 Ų39.658%0.57621%0.212SC*.Hα-helixtrans-58.2-48179.3-177.268000111.5A205 I206 P207 V212 L213A205-L209 WeakPolarHBondContact O-CB 3.25Å; A205-L209 PolarHBondContact O-N 3.23Å; I206-L209 PolarHBondContact O-N 3.41Å; P207-L209 PolarHBondContact O-N 2.8Å; L209-V212 PolarHBondContact O-N 3.12Å; L209-L213 HydrophobicContact CD1-CD1 4.49Å; L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 WeakPolarHBondContact O-CB 3.46Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.22Å; L209-L213 PolarHBondContact O-N 2.91Å
210I93.9Very high91.1Very high47 Ų4743.2 Ų43.224%0.24123%0.23CC..Hα-helixtrans-64.2-43.6178.9-64.3169.9000110.5W118 T121 I206 P207 I208 L213 T214W118-I210 HydrophobicContact CH2-CD1 4.4Å; W118-I210 HydrophobicContact CZ3-CD1 4.39Å; T121-I210 HydrophobicContact CG2-CB 3.72Å; T121-I210 HydrophobicContact CG2-CD1 4.14Å; T121-I210 HydrophobicContact CG2-CG2 3.48Å; T121-I210 VanDerWaalsContact CG2-CG2 3.48Å; I206-I210 HydrophobicContact CG2-CD1 3.66Å; I206-I210 HydrophobicContact CG2-CG1 4.4Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 2.96Å; P207-I210 PolarHBondContact O-N 3.19Å; I208-I210 PolarHBondContact O-N 3.38Å; I210-L213 PolarHBondContact O-N 3.2Å; I210-T214 HydrophobicContact CG2-CG2 4.19Å; I210-T214 WeakPolarHBondContact O-CB 3.47Å; I210-T214 VanDerWaalsContact O-CG2 3.27Å; I210-T214 WeakPolarHBondContact O-CG2 3.43Å; I210-T214 PolarHBondContact O-N 3.38Å; I210-T214 PolarHBondContact O-OG1 3.43Å
211V93.5Very high90.9Very high0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-64.7-42.4179.5173.90000111T121 P207 I208 T214 T215 T321 F324 I325T121-V211 HydrophobicContact CG2-CG2 4.22Å; T121-V211 WeakPolarHBondContact OG1-CG2 2.88Å; P207-V211 WeakPolarHBondContact O-CB 3.41Å; P207-V211 WeakPolarHBondContact O-CG2 3.28Å; P207-V211 PolarHBondContact O-N 3.15Å; I208-V211 PolarHBondContact O-N 2.78Å; V211-T214 VanDerWaalsContact CA-OG1 3.3Å; V211-T214 WeakPolarHBondContact CA-OG1 3.39Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.39Å; V211-T215 WeakPolarHBondContact O-CB 3.44Å; V211-T215 PolarHBondContact O-N 2.82Å; V211-T215 PolarHBondContact O-OG1 3.35Å; V211-T321 HydrophobicContact CG1-CG2 3.74Å; V211-F324 HydrophobicContact CB-CD1 4.37Å; V211-F324 HydrophobicContact CB-CE1 4.4Å; V211-F324 HydrophobicContact CG1-CD1 4.07Å; V211-F324 HydrophobicContact CG2-CD1 4.28Å; V211-F324 HydrophobicContact CG2-CE1 4.15Å; V211-I325 HydrophobicContact CG1-CD1 3.98Å; V211-I325 HydrophobicContact CG1-CG1 4.04Å
212V93Very high90.5Very high49 Ų4941.4 Ų41.430%0.29722%0.22SC..Hα-helixtrans-60.6-51.4175.2169.60000110.7I208 L209 T214 T215 I216 I325I208-V212 HydrophobicContact CG2-CG2 4.14Å; I208-V212 WeakPolarHBondContact O-CB 3.49Å; I208-V212 VanDerWaalsContact O-CG2 3.23Å; I208-V212 WeakPolarHBondContact O-CG2 3.48Å; I208-V212 PolarHBondContact O-N 2.96Å; L209-V212 PolarHBondContact O-N 3.12Å; V212-T214 PolarHBondContact O-N 3.09Å; V212-T215 PolarHBondContact O-N 2.81Å; V212-I216 HydrophobicContact CG1-CD1 3.84Å; V212-I216 WeakPolarHBondContact O-CG1 3.23Å; V212-I216 PolarHBondContact O-N 2.8Å; V212-I325 HydrophobicContact CG2-CD1 3.67Å; V212-I325 HydrophobicContact CG2-CG1 4.01Å; V212-I325 HydrophobicContact CG2-CG2 4.49Å
213L93.4Very high90.1Very high96 Ų9644.4 Ų44.450%0.50324%0.238SC..Hα-helixtrans-59-47.4178.9-71.3173.8000111.8L209 I210 T215 I216 I217L209-L213 HydrophobicContact CD1-CD1 4.49Å; L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 WeakPolarHBondContact O-CB 3.46Å; L209-L213 VanDerWaalsContact O-CG 3.29Å; L209-L213 WeakPolarHBondContact O-CG 3.22Å; L209-L213 PolarHBondContact O-N 2.91Å; I210-L213 PolarHBondContact O-N 3.2Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 3.45Å; L213-I216 PolarHBondContact O-N 2.84Å; L213-I217 VanDerWaalsContact O-CG1 3.29Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.27Å
214T91.9Very high89.6Confident7 Ų751.5 Ų51.54%0.04326%0.264CS..Hα-helixtrans-65.5-35.4178.351.40000112.1S124 L125 C128 I210 V211 V212 I217 M218S124-T214 WeakPolarHBondContact OG-CB 3.4Å; S124-T214 PolarHBondContact OG-OG1 3.18Å; L125-T214 HydrophobicContact CB-CG2 4.42Å; L125-T214 HydrophobicContact CD1-CG2 3.82Å; C128-T214 HydrophobicContact CB-CG2 4.11Å; I210-T214 HydrophobicContact CG2-CG2 4.19Å; I210-T214 WeakPolarHBondContact O-CB 3.47Å; I210-T214 VanDerWaalsContact O-CG2 3.27Å; I210-T214 WeakPolarHBondContact O-CG2 3.43Å; I210-T214 PolarHBondContact O-N 3.38Å; I210-T214 PolarHBondContact O-OG1 3.43Å; V211-T214 VanDerWaalsContact CA-OG1 3.3Å; V211-T214 WeakPolarHBondContact CA-OG1 3.39Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.39Å; V212-T214 PolarHBondContact O-N 3.09Å; T214-I217 PolarHBondContact O-N 2.88Å; T214-M218 WeakPolarHBondContact O-CB 3.47Å; T214-M218 VanDerWaalsContact O-CG 3.26Å; T214-M218 WeakPolarHBondContact O-CG 3.48Å; T214-M218 PolarHBondContact O-N 3.22Å
215T91.5Very high88.5Confident15 Ų1556 Ų569%0.09228%0.284CS..Hα-helixtrans-66.9-44176.8-610000111.3V211 V212 L213 M218 L219 T318 T321 V322V211-T215 WeakPolarHBondContact O-CB 3.44Å; V211-T215 PolarHBondContact O-N 2.82Å; V211-T215 PolarHBondContact O-OG1 3.35Å; V212-T215 PolarHBondContact O-N 2.81Å; L213-T215 VanDerWaalsContact C-N 3.32Å; L213-T215 PolarHBondContact O-N 3.45Å; T215-M218 PolarHBondContact O-N 3.47Å; T215-L219 WeakPolarHBondContact O-CB 3.32Å; T215-L219 PolarHBondContact O-N 3.36Å; T215-T318 HydrophobicContact CG2-CG2 4.31Å; T215-T321 PolarHBondContact OG1-OG1 3.23Å; T215-V322 HydrophobicContact CG2-CG2 4.16Å
216I92.1Very high87.2Confident86 Ų8661.6 Ų61.644%0.44130%0.304SS..Hα-helixtrans-59.6-47.7174.9-68.1166.3000110.1V212 L213 M218 L219 I220V212-I216 HydrophobicContact CG1-CD1 3.84Å; V212-I216 WeakPolarHBondContact O-CG1 3.23Å; V212-I216 PolarHBondContact O-N 2.8Å; L213-I216 PolarHBondContact O-N 2.84Å; I216-M218 PolarHBondContact O-N 3.25Å; I216-L219 PolarHBondContact O-N 3.3Å; I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 VanDerWaalsContact O-CG1 3.28Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.39Å
217I89.6Confident85.4Confident77 Ų7765.4 Ų65.440%0.39532%0.324SS..Hα-helixtrans-61.6-45.3177.7-64.2164.5000111.1C128 T132 L213 T214 L219 I220 A221C128-I217 WeakPolarHBondContact SG-CG2 3.5Å; T132-I217 HydrophobicContact CG2-CG2 3.86Å; L213-I217 VanDerWaalsContact O-CG1 3.29Å; L213-I217 WeakPolarHBondContact O-CG1 3.48Å; L213-I217 PolarHBondContact O-N 3.27Å; T214-I217 PolarHBondContact O-N 2.88Å; I217-L219 PolarHBondContact O-N 3.29Å; I217-I220 PolarHBondContact O-N 3.5Å; I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.24Å
218M88.8Confident83.3Confident1 Ų168.8 Ų68.81%0.00535%0.346CS..Hα-helixtrans-61.2-42.1176.4-76.2-170.8-67.200111.9S124 R127 C128 I131 T214 T215 I216 A221 L222S124-M218 VanDerWaalsContact OG-CE 3.23Å; S124-M218 WeakPolarHBondContact OG-CE 3.14Å; R127-M218 HydrophobicContact CB-SD 4.17Å; C128-M218 HydrophobicContact CB-CG 4Å; I131-M218 HydrophobicContact CD1-CG 4.07Å; I131-M218 HydrophobicContact CD1-SD 4.38Å; T214-M218 WeakPolarHBondContact O-CB 3.47Å; T214-M218 VanDerWaalsContact O-CG 3.26Å; T214-M218 WeakPolarHBondContact O-CG 3.48Å; T214-M218 PolarHBondContact O-N 3.22Å; T215-M218 PolarHBondContact O-N 3.47Å; I216-M218 PolarHBondContact O-N 3.25Å; M218-A221 PolarHBondContact O-N 3.38Å; M218-L222 WeakPolarHBondContact O-CB 3.41Å; M218-L222 VanDerWaalsContact O-CG 3.24Å; M218-L222 WeakPolarHBondContact O-CG 3.43Å; M218-L222 PolarHBondContact O-N 3.49Å
219L88.2Confident81.2Confident92 Ų9273.3 Ų73.348%0.48237%0.371SS..Hα-helixtrans-63.4-47.8177.7-170.5107.8000110.9T215 I216 I217 A221 L222 L223T215-L219 WeakPolarHBondContact O-CB 3.32Å; T215-L219 PolarHBondContact O-N 3.36Å; I216-L219 PolarHBondContact O-N 3.3Å; I217-L219 PolarHBondContact O-N 3.29Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.96Å; L219-L222 PolarHBondContact O-N 3.47Å; L219-L223 HydrophobicContact CD2-CD1 3.89Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 WeakPolarHBondContact O-CB 3.23Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 2.68Å
220I87.8Confident79.2Confident78 Ų7875.1 Ų75.140%0.438%0.38SS..Hα-helixtrans-59.3-45.3175.8-67.4167.5000110.4I216 I217 L223 R224I216-I220 HydrophobicContact CG2-CD1 3.75Å; I216-I220 HydrophobicContact CG2-CG1 4.46Å; I216-I220 VanDerWaalsContact O-CG1 3.28Å; I216-I220 WeakPolarHBondContact O-CG1 3.49Å; I216-I220 PolarHBondContact O-N 3.39Å; I217-I220 PolarHBondContact O-N 3.5Å; I220-L223 PolarHBondContact O-N 2.91Å; I220-R224 WeakPolarHBondContact O-CB 3.4Å; I220-R224 WeakPolarHBondContact O-CG 3.45Å; I220-R224 PolarHBondContact O-N 3.13Å
221A82.8Confident77.1Confident6 Ų678.8 Ų78.85%0.0540%0.4CS..Hα-helixtrans-64.2-41178.600000112.3I131 I217 M218 L219 R224 H225I131-A221 HydrophobicContact CG2-CB 3.64Å; I217-A221 WeakPolarHBondContact O-CB 3.44Å; I217-A221 PolarHBondContact O-N 3.24Å; M218-A221 PolarHBondContact O-N 3.38Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 2.96Å; A221-R224 PolarHBondContact O-N 3.37Å; A221-H225 PolarHBondContact O-CD2 2.83Å; A221-H225 PolarHBondContact O-N 3.49Å
222L81.6Confident75Confident42 Ų4283.8 Ų83.822%0.2242%0.423CS..Hα-helixtrans-65.5-39.6175.6-76.4175.7000112.4M218 L219 H225 K226 T314M218-L222 WeakPolarHBondContact O-CB 3.41Å; M218-L222 VanDerWaalsContact O-CG 3.24Å; M218-L222 WeakPolarHBondContact O-CG 3.43Å; M218-L222 PolarHBondContact O-N 3.49Å; L219-L222 PolarHBondContact O-N 3.47Å; L222-H225 PolarHBondContact O-N 3.22Å; L222-K226 PolarHBondContact O-N 3.16Å; L222-T314 HydrophobicContact CD1-CG2 3.91Å; L222-T314 HydrophobicContact CD2-CG2 3.87Å; L222-T314 HydrophobicContact CG-CG2 4.05Å
223L82Confident73Confident100 Ų10087.1 Ų87.152%0.52444%0.436SS..Hα-helixtrans-66.5-43.2176.3-72.1170.9000110.9L219 I220 H225 K226L219-L223 HydrophobicContact CD2-CD1 3.89Å; L219-L223 HydrophobicContact CG-CD1 4.14Å; L219-L223 WeakPolarHBondContact O-CB 3.23Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 2.68Å; I220-L223 PolarHBondContact O-N 2.91Å; L223-H225 PolarHBondContact O-N 3.14Å; L223-K226 PolarHBondContact O-N 2.91Å
224R80.4Confident71Confident165 Ų16587.3 Ų87.362%0.62344%0.437SS*.Hα-helixtrans-61.1-40.2174.8-75-178.2-179.8-154.20.4112.6I220 A221 K226 L227 P228I220-R224 WeakPolarHBondContact O-CB 3.4Å; I220-R224 WeakPolarHBondContact O-CG 3.45Å; I220-R224 PolarHBondContact O-N 3.13Å; A221-R224 PolarHBondContact O-N 3.37Å; R224-K226 VanDerWaalsContact C-N 3.33Å; R224-K226 PolarHBondContact O-N 3.14Å; R224-L227 PolarHBondContact O-N 2.98Å; R224-P228 WeakPolarHBondContact O-CD 3.34Å
225H67.6Low69.3Low95 Ų9590.1 Ų90.144%0.4445%0.454SS..Hα-helixtrans-70.8-22178.3-89.2-65.4000114.8A221 L222 L223 P228A221-H225 PolarHBondContact O-CD2 2.83Å; A221-H225 PolarHBondContact O-N 3.49Å; L222-H225 PolarHBondContact O-N 3.22Å; L223-H225 PolarHBondContact O-N 3.14Å; H225-P228 WeakPolarHBondContact O-CD 3.49Å
226K63Low67.7Low143 Ų14391 Ų9162%0.62246%0.461SS*.Hα-helixtrans-74.9-27.7173.3-79-171.2177.2-175.90112.9L222 L223 R224L222-K226 PolarHBondContact O-N 3.16Å; L223-K226 PolarHBondContact O-N 2.91Å; R224-K226 VanDerWaalsContact C-N 3.33Å; R224-K226 PolarHBondContact O-N 3.14Å
227L52.9Low66Low146 Ų14690.5 Ų90.576%0.76446%0.459SS*.THydrogen-bonded Turntrans-62-39.9-179.5-108.274.8000115.3R224 N229R224-L227 PolarHBondContact O-N 2.98Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 3.44Å
228P50.2Low64.4Low72 Ų7295.4 Ų95.447%0.46847%0.473SS..THydrogen-bonded Turntrans-77.1-4.2-177.825-33.3000115.7R224 H225 L230R224-P228 WeakPolarHBondContact O-CD 3.34Å; H225-P228 WeakPolarHBondContact O-CD 3.49Å; P228-L230 VanDerWaalsContact C-N 3.34Å; P228-L230 PolarHBondContact O-N 2.85Å
229N48.4Very low62.9Low112 Ų112100.7 Ų100.760%0.59950%0.498SS*.Hα-helixtrans-81.3-6.9-172.2-145.622.6000114.8L227 N231L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 3.44Å; N229-N231 VanDerWaalsContact C-N 3.32Å
230L49.6Very low61.6Low148 Ų14899.3 Ų99.378%0.77549%0.494SS*.Hα-helixtrans-73.4-23.8173.7-115.585.9000113P228P228-L230 VanDerWaalsContact C-N 3.34Å; P228-L230 PolarHBondContact O-N 2.85Å
231N50.7Low60Low125 Ų125104.4 Ų104.467%0.66851%0.508SS*.Hα-helixtrans-98.2-22.1-174.5-75.6-11.7000114.5N229N229-N231 VanDerWaalsContact C-N 3.32Å
232H49.5Very low58.7Low104 Ų104113 Ų11348%0.48154%0.54SS..Hα-helixtrans-84.1-24.9-174.7-98.3-62.3000115.1N234 V235 S236H232-N234 PolarHBondContact O-N 3.2Å; H232-V235 PolarHBondContact O-N 3.45Å; H232-S236 PolarHBondContact O-N 2.85Å; H232-S236 VanDerWaalsContact O-N 3.13Å
233H50.3Low57.4Low120 Ų120113.7 Ų113.756%0.55654%0.543SS*.Hα-helixtrans-59.1-37.9174.6-136.2-57.1000111V235 S236 D237H233-V235 PolarHBondContact O-N 3.3Å; H233-S236 PolarHBondContact O-N 3.19Å; H233-D237 IonicContact CE1-OD2 2.8Å; H233-D237 IonicContact ND1-OD2 3.82Å; H233-D237 PolarHBondContact ND1-OD2 3.48Å; H233-D237 VanDerWaalsContact ND1-OD2 3.16Å; H233-D237 WeakPolarHBondContact O-CB 3.32Å; H233-D237 PolarHBondContact O-N 3.37Å
234N52.5Low56.2Low99 Ų99114.8 Ų114.853%0.52955%0.546SS..Hα-helixtrans-62.8-25.7174.1-70-17.4000113.7H232 R238H232-N234 PolarHBondContact O-N 3.2Å; N234-R238 WeakPolarHBondContact O-CB 3.45Å; N234-R238 WeakPolarHBondContact O-CD 3.32Å; N234-R238 WeakPolarHBondContact O-CG 3.36Å; N234-R238 PolarHBondContact O-N 3.46Å
235V56.4Low55Low66 Ų66111 Ų11140%0.454%0.54SS..Hα-helixtrans-84.2-42.2179.4-178.40000111.2H232 H233 R238 M239H232-V235 PolarHBondContact O-N 3.45Å; H233-V235 PolarHBondContact O-N 3.3Å; V235-R238 PolarHBondContact O-N 2.86Å; V235-M239 PolarHBondContact O-N 2.94Å
236S56.5Low54.4Low34 Ų34110.2 Ų110.224%0.23854%0.543CS..Hα-helixtrans-63.3-45.3175-173.70000111.1H232 H233 R238 M239 T240H232-S236 PolarHBondContact O-N 2.85Å; H232-S236 VanDerWaalsContact O-N 3.13Å; H233-S236 PolarHBondContact O-N 3.19Å; S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 2.91Å; S236-M239 PolarHBondContact O-N 3.47Å; S236-M239 VanDerWaalsContact O-N 3.16Å; S236-T240 PolarHBondContact O-N 2.92Å; S236-T240 PolarHBondContact O-OG1 2.95Å
237D57.1Low53.8Low75 Ų75109 Ų10940%0.40154%0.539SS..Hα-helixtrans-64.2-34.7176.6-70.6-33.5000111.6H233 R241H233-D237 IonicContact CE1-OD2 2.8Å; H233-D237 IonicContact ND1-OD2 3.82Å; H233-D237 PolarHBondContact ND1-OD2 3.48Å; H233-D237 VanDerWaalsContact ND1-OD2 3.16Å; H233-D237 WeakPolarHBondContact O-CB 3.32Å; H233-D237 PolarHBondContact O-N 3.37Å; D237-R241 VanDerWaalsContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CB 3.42Å; D237-R241 WeakPolarHBondContact O-CG 3.34Å; D237-R241 PolarHBondContact O-N 2.91Å
238R56.6Low53.7Low181 Ų181107.3 Ų107.368%0.68353%0.531SS*.Hα-helixtrans-67.5-39.6172.3-83.1178.2-172.8-177.43.5113.3N234 V235 S236 R242N234-R238 WeakPolarHBondContact O-CB 3.45Å; N234-R238 WeakPolarHBondContact O-CD 3.32Å; N234-R238 WeakPolarHBondContact O-CG 3.36Å; N234-R238 PolarHBondContact O-N 3.46Å; V235-R238 PolarHBondContact O-N 2.86Å; S236-R238 VanDerWaalsContact C-N 3.28Å; S236-R238 PolarHBondContact O-N 2.91Å; R238-R242 WeakPolarHBondContact O-CB 3.29Å; R238-R242 WeakPolarHBondContact O-CG 3.33Å; R238-R242 PolarHBondContact O-N 3.05Å
239M56.7Low53.7Low111 Ų111109 Ų10955%0.54754%0.536SS..Hα-helixtrans-68.1-43.2176.5-85.6-170.1-176.600111.5V235 S236 R242 L243V235-M239 PolarHBondContact O-N 2.94Å; S236-M239 PolarHBondContact O-N 3.47Å; S236-M239 VanDerWaalsContact O-N 3.16Å; M239-R242 PolarHBondContact O-N 3.46Å; M239-L243 PolarHBondContact O-N 2.92Å; M239-L243 VanDerWaalsContact O-N 3.16Å
240T60.1Low53.7Low64 Ų64108.2 Ų108.239%0.39353%0.532SS..Hα-helixtrans-64.9-44.5178.5-33.40000110.9S236 R242 L243 E244S236-T240 PolarHBondContact O-N 2.92Å; S236-T240 PolarHBondContact O-OG1 2.95Å; T240-R242 VanDerWaalsContact C-N 3.35Å; T240-R242 PolarHBondContact O-N 3.33Å; T240-L243 PolarHBondContact O-N 3.35Å; T240-E244 PolarHBondContact O-N 3.34Å; T240-E244 VanDerWaalsContact O-N 3.1Å
241R56.2Low53.5Low184 Ų184105.8 Ų105.869%0.69452%0.52SS*.Hα-helixtrans-61-39173.8-79.9-174.8-174.5-179.53.4113.1D237 L243 E244 T245D237-R241 VanDerWaalsContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CB 3.42Å; D237-R241 WeakPolarHBondContact O-CG 3.34Å; D237-R241 PolarHBondContact O-N 2.91Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 3.32Å; R241-E244 PolarHBondContact O-N 2.88Å; R241-T245 PolarHBondContact O-N 3.31Å; R241-T245 PolarHBondContact O-OG1 3.05Å
242R54.2Low53.2Low188 Ų188107.7 Ų107.771%0.70952%0.522SS*.Hα-helixtrans-62.9-38.5177.1-83.1-177.8178.7-176.4-0.4112.2R238 M239 T240 T245 T246R238-R242 WeakPolarHBondContact O-CB 3.29Å; R238-R242 WeakPolarHBondContact O-CG 3.33Å; R238-R242 PolarHBondContact O-N 3.05Å; M239-R242 PolarHBondContact O-N 3.46Å; T240-R242 VanDerWaalsContact C-N 3.35Å; T240-R242 PolarHBondContact O-N 3.33Å; R242-T245 WeakPolarHBondContact CA-OG1 3.44Å; R242-T245 PolarHBondContact O-OG1 2.84Å; R242-T246 PolarHBondContact O-N 3.46Å; R242-T246 PolarHBondContact O-OG1 2.88Å
243L54.9Low53.1Low55 Ų55107.8 Ų107.829%0.28853%0.53SS..Hα-helixtrans-65.3-44.7175-109.3129.4000111.7M239 T240 R241 T246 H247M239-L243 PolarHBondContact O-N 2.92Å; M239-L243 VanDerWaalsContact O-N 3.16Å; T240-L243 PolarHBondContact O-N 3.35Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 3.32Å; L243-T246 PolarHBondContact O-N 2.88Å; L243-H247 PolarHBondContact O-N 2.93Å; L243-H247 VanDerWaalsContact O-N 3.14Å
244E55.6Low52.8Low124 Ų124109.8 Ų109.858%0.57954%0.54SS*.Hα-helixtrans-64.1-41.8176.9-73.6177.817400112.8T240 R241 T246 H247 N248T240-E244 PolarHBondContact O-N 3.34Å; T240-E244 VanDerWaalsContact O-N 3.1Å; R241-E244 PolarHBondContact O-N 2.88Å; E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.38Å; E244-H247 PolarHBondContact O-N 2.75Å; E244-N248 PolarHBondContact O-N 3.43Å
245T56.6Low52.2Low84 Ų84113.2 Ų113.252%0.51555%0.552SS.*Hα-helixtrans-63.9-30.7175.439.50000113.1R241 R242 N249R241-T245 PolarHBondContact O-N 3.31Å; R241-T245 PolarHBondContact O-OG1 3.05Å; R242-T245 WeakPolarHBondContact CA-OG1 3.44Å; R242-T245 PolarHBondContact O-OG1 2.84Å; T245-N249 PolarHBondContact O-N 3.49Å
246T54.2Low51.5Low79 Ų79117.5 Ų117.549%0.48557%0.572SS.*Hα-helixtrans-73.4-38.4178.4-49.90000110.5R242 L243 E244 N250R242-T246 PolarHBondContact O-N 3.46Å; R242-T246 PolarHBondContact O-OG1 2.88Å; L243-T246 PolarHBondContact O-N 2.88Å; E244-T246 VanDerWaalsContact C-N 3.26Å; E244-T246 PolarHBondContact O-N 3.38Å; T246-N250 PolarHBondContact O-N 2.98Å
247H50.2Low50.8Low117 Ų117120.4 Ų120.454%0.54259%0.593SS.*Hα-helixtrans-70.5-37.5178-140.4-38.6000113L243 E244 N250 N251L243-H247 PolarHBondContact O-N 2.93Å; L243-H247 VanDerWaalsContact O-N 3.14Å; E244-H247 PolarHBondContact O-N 2.75Å; H247-N250 PolarHBondContact O-N 3.05Å; H247-N251 PolarHBondContact O-N 3.12Å
248N51.3Low50Low112 Ų112124.1 Ų124.160%0.59961%0.611SS**Hα-helixtrans-70-30177.1-95.6-5000113.5E244 K252E244-N248 PolarHBondContact O-N 3.43Å; N248-K252 PolarHBondContact O-N 2.73Å
249N51Low49Very low107 Ų107122.7 Ų122.757%0.57262%0.617SS**Hα-helixtrans-72-38175.8-79.7-6.6000111.8T245 N251 K252 T253T245-N249 PolarHBondContact O-N 3.49Å; N249-N251 VanDerWaalsContact C-N 3.35Å; N249-N251 PolarHBondContact O-N 3Å; N249-K252 PolarHBondContact O-N 2.78Å; N249-T253 PolarHBondContact O-N 3.33Å; N249-T253 PolarHBondContact O-OG1 3.49Å
250N46.9Very low48Very low96 Ų96125.2 Ų125.251%0.51363%0.633SS.*Hα-helixtrans-65.3-36.9177.7-72.3-3.6000112.6T246 H247 K252 T253T246-N250 PolarHBondContact O-N 2.98Å; H247-N250 PolarHBondContact O-N 3.05Å; N250-K252 VanDerWaalsContact C-N 3.29Å; N250-K252 PolarHBondContact O-N 3.38Å; N250-T253 PolarHBondContact O-N 2.83Å
251N46.9Very low47Very low97 Ų97129.6 Ų129.652%0.51966%0.66SS.*Hα-helixtrans-72.8-18.9178.2-69.55.6000113.7H247 N249H247-N251 PolarHBondContact O-N 3.12Å; N249-N251 VanDerWaalsContact C-N 3.35Å; N249-N251 PolarHBondContact O-N 3Å
252K44.5Very low45.8Very low165 Ų165123.6 Ų123.672%0.71766%0.655SS**Hα-helixtrans-82.4-26.4174.1-90.1-176.6175.4-179.20113N248 N249 N250N248-K252 PolarHBondContact O-N 2.73Å; N249-K252 PolarHBondContact O-N 2.78Å; N250-K252 VanDerWaalsContact C-N 3.29Å; N250-K252 PolarHBondContact O-N 3.38Å
253T46.5Very low45Very low105 Ų105122.4 Ų122.464%0.64466%0.663SS**Hα-helixtrans-78-24.1-179.5-12.10000113.2N249 N250N249-T253 PolarHBondContact O-N 3.33Å; N249-T253 PolarHBondContact O-OG1 3.49Å; N250-T253 PolarHBondContact O-N 2.83Å
254E42.9Very low43.9Very low163 Ų163124.9 Ų124.976%0.76268%0.68SS**THydrogen-bonded Turntrans-82.8-14.7179.9-93.1-177159.900114.8
255H39.9Very low42.9Very low171 Ų171124.5 Ų124.579%0.79269%0.687SS**THydrogen-bonded Turntrans-96.91.9-176.4-114.9-42.2000116.1
256N41.8Very low41.7Very low155 Ų155126.5 Ų126.583%0.82969%0.694SS**SBendtrans-113.114.5-177.5-88.83.8000115.6
257S41.7Very low40.7Very low95 Ų95128.9 Ų128.966%0.66470%0.704SS**SBendtrans-128.244.4179.167.10000114
258I41.4Very low39.8Very low154 Ų154128.8 Ų128.879%0.7971%0.712SS**SBendtrans-144.386.1159.5-52.7177.3000106.9
259N36.2Very low38.8Very low150 Ų150129.2 Ų129.280%0.80272%0.719SS**  trans177.990.9155.4-88.9-15.2000107
260N35.1Very low37.9Very low164 Ų164130 Ų13088%0.87773%0.728SS**  trans170.283.4147.2-86.3-12000109.6
261T38.6Very low37.2Very low156 Ų156132.1 Ų132.196%0.95774%0.739SS**  trans-131.578.3156.237.10000107.5
262G32.2Very low36.4Very low59 Ų59134.5 Ų134.561%0.60875%0.751SS**  trans-117.8127.8160.300000107.7
263N36Very low36Very low162 Ų162134.2 Ų134.287%0.86676%0.756SS**  trans76.2149.1159.1-59.5-10.4000118.5
264T31.7Very low35.3Very low107 Ų107136.8 Ų136.866%0.65676%0.764SS**  cis179.1120.9-14.8-81.40000103
265V34.6Very low35.1Very low117 Ų117133.8 Ų133.871%0.70976%0.761SS**  trans74.7131.3136.4170.60000121.6
266N32.8Very low34.7Very low126 Ų126132.8 Ų132.867%0.67476%0.762SS**  trans94.4111.6144.8-75.6-6.2000123
267N33.2Very low34.3Very low128 Ų128132 Ų13268%0.68476%0.757SS**  97.1119.9116.6-75.8-5.8000121
268T31.2Very low34Very low116 Ų116136.7 Ų136.771%0.71276%0.761SS**  trans75.3106.813643.70000120.6
269T29Very low33.8Very low121 Ų121136.2 Ų136.274%0.74276%0.76SS**  49.9108.4120.4-10000118.2
270T32.8Very low33.9Very low124 Ų124137.1 Ų137.176%0.76175%0.753SS**  174128.6108.925.50000112.5
271N31.8Very low34.1Very low139 Ų139134.4 Ų134.474%0.74375%0.747SS**  trans44.8120.3141-63.6-10.5000122.5
272N30.7Very low34Very low147 Ų147132.6 Ų132.679%0.78674%0.739SS**  trans49.995.6133.3-68.9-9000119
273I35.2Very low34.5Very low159 Ų159135.5 Ų135.582%0.81575%0.746SS**  trans-139.8120.3131.6-61.1-174.8000108.9S275I273-S275 PolarHBondContact O-N 3.4Å
274I33.5Very low35.1Very low159 Ų159131.5 Ų131.582%0.81573%0.73SS**  trans-63.1108.3166.4-66.7161.3000107.5
275S37.3Very low35.9Very low101 Ų101134.9 Ų134.971%0.70674%0.736SS**  trans-127.999.9162.452.60000108.8I273 N277I273-S275 PolarHBondContact O-N 3.4Å; S275-N277 PolarHBondContact O-N 2.91Å
276N32.4Very low36.6Very low149 Ų149135 Ų13580%0.79773%0.732SS**  trans-48.9102.3161.8-72-37000109.6
277N34Very low37.5Very low138 Ų138134.5 Ų134.574%0.73873%0.73SS**  trans-113.795.2160.1-122.113.8000108.4S275 D279S275-N277 PolarHBondContact O-N 2.91Å; N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.88Å
278R34.1Very low38.4Very low194 Ų194137 Ų13773%0.73273%0.731SS**  trans-62.896.7158.2-71.4175.3-177.9151.21.6106.2Y280R278-Y280 HydrophobicContact CB-CD2 4Å; R278-Y280 HydrophobicContact CB-CE2 3.68Å; R278-Y280 WeakPolarHBondContact O-CD2 3.17Å; R278-Y280 PolarHBondContact O-N 3.1Å
279D36.7Very low39.9Very low144 Ų144135.2 Ų135.277%0.7772%0.72SS**  trans-71.791.6163.3-75.5-26000107.6N277 S281N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.88Å; D279-S281 PolarHBondContact O-N 3.3Å
280Y38.7Very low41.4Very low169 Ų169133 Ų13366%0.66370%0.701SS**  trans-56.8116.9167.6-75.7-89.2000108.7R278 C282R278-Y280 HydrophobicContact CB-CD2 4Å; R278-Y280 HydrophobicContact CB-CE2 3.68Å; R278-Y280 WeakPolarHBondContact O-CD2 3.17Å; R278-Y280 PolarHBondContact O-N 3.1Å; Y280-C282 VanDerWaalsContact C-N 3.26Å; Y280-C282 PolarHBondContact O-N 3.41Å
281S39.3Very low43.4Very low107 Ų107130.2 Ų130.275%0.74868%0.684SS**  trans-6183.9165.547.70000110.6D279 T283D279-S281 PolarHBondContact O-N 3.3Å; S281-T283 VanDerWaalsContact C-N 3.32Å; S281-T283 PolarHBondContact O-N 3.45Å
282C37Very low45.4Very low118 Ų118131.9 Ų131.980%0.79768%0.68SS**THydrogen-bonded Turntrans-87.563.8172.8-77.80000111.2Y280Y280-C282 VanDerWaalsContact C-N 3.26Å; Y280-C282 PolarHBondContact O-N 3.41Å
283T42.3Very low47.6Very low121 Ų121129.5 Ų129.574%0.74266%0.664SS**THydrogen-bonded Turntrans-114.5-1.2170.243.50000114.4S281S281-T283 VanDerWaalsContact C-N 3.32Å; S281-T283 PolarHBondContact O-N 3.45Å
284S49.3Very low49.5Very low77 Ų77126.8 Ų126.854%0.53865%0.648SS.*SBendtrans-89.1-11.8-176.772.70000116.2Y288S284-Y288 VanDerWaalsContact O-CD2 3.3Å; S284-Y288 WeakPolarHBondContact O-CD2 3.21Å
285K47.1Very low51.7Low178 Ų178125.2 Ų125.277%0.77464%0.637SS**Hα-helixtrans-78.6-26.3-175.8-92.7-177.1178.9174.50114.8
286N49.8Very low53.7Low120 Ų120124.4 Ų124.464%0.64262%0.624SS**Hα-helixtrans-75.7-36.4-177.9-80.8-5000112.6Y288 T289 H290N286-Y288 PolarHBondContact O-N 2.9Å; N286-T289 PolarHBondContact O-N 2.95Å; N286-T289 PolarHBondContact O-OG1 3.07Å; N286-H290 PolarHBondContact O-N 3.46Å
287D52.4Low56.1Low115 Ų115119.9 Ų119.962%0.61560%0.6SS**Hα-helixtrans-67.1-34.4-177.5-75.1-21.4000113.9T289 H290 T291D287-T289 VanDerWaalsContact C-N 3.33Å; D287-T289 PolarHBondContact O-N 3.24Å; D287-H290 PolarHBondContact O-N 3.23Å; D287-T291 WeakPolarHBondContact O-CG2 3.34Å; D287-T291 PolarHBondContact O-N 3.44Å; D287-T291 PolarHBondContact O-OG1 2.83Å
288Y52.5Low58.3Low180 Ų180118.4 Ų118.471%0.70659%0.591SS**Hα-helixtrans-67.1-33.3176-79.9-77.5000112.9S284 N286 T291 R292S284-Y288 VanDerWaalsContact O-CD2 3.3Å; S284-Y288 WeakPolarHBondContact O-CD2 3.21Å; N286-Y288 PolarHBondContact O-N 2.9Å; Y288-T291 WeakPolarHBondContact CA-OG1 3.43Å; Y288-T291 PolarHBondContact O-OG1 3.34Å; Y288-T291 VanDerWaalsContact O-OG1 3.1Å; Y288-R292 WeakPolarHBondContact O-CB 3.16Å; Y288-R292 PolarHBondContact O-N 2.82Å; Y288-R292 VanDerWaalsContact O-N 3.17Å
289T61.2Low60.4Low80 Ų80114.9 Ų114.949%0.49158%0.583SS.*Hα-helixtrans-73.6-39.2178.465.20000111.6N286 D287 R292 Q293N286-T289 PolarHBondContact O-N 2.95Å; N286-T289 PolarHBondContact O-OG1 3.07Å; D287-T289 VanDerWaalsContact C-N 3.33Å; D287-T289 PolarHBondContact O-N 3.24Å; T289-R292 PolarHBondContact O-N 2.96Å; T289-Q293 WeakPolarHBondContact O-CB 3.16Å; T289-Q293 WeakPolarHBondContact O-CG 3.39Å; T289-Q293 PolarHBondContact O-N 3Å
290H61.7Low62.5Low74 Ų74112 Ų11234%0.34356%0.562SS.*Hα-helixtrans-68-44.8178.8-170.2-108.7000111.7N286 D287 R292 Q293 Q294N286-H290 PolarHBondContact O-N 3.46Å; D287-H290 PolarHBondContact O-N 3.23Å; H290-R292 PolarHBondContact O-N 2.89Å; H290-Q293 PolarHBondContact O-N 2.77Å; H290-Q294 PolarHBondContact CE1-NE2 2.9Å; H290-Q294 WeakPolarHBondContact O-CB 3.5Å; H290-Q294 WeakPolarHBondContact O-CG 3.33Å; H290-Q294 PolarHBondContact O-N 3.45Å
291T74.6Confident64.4Low65 Ų65109.3 Ų109.340%0.39955%0.553SS.*Hα-helixtrans-61.6-41.9175.147.40000112.3D287 Y288 Q294 Q295D287-T291 WeakPolarHBondContact O-CG2 3.34Å; D287-T291 PolarHBondContact O-N 3.44Å; D287-T291 PolarHBondContact O-OG1 2.83Å; Y288-T291 WeakPolarHBondContact CA-OG1 3.43Å; Y288-T291 PolarHBondContact O-OG1 3.34Å; Y288-T291 VanDerWaalsContact O-OG1 3.1Å; T291-Q294 PolarHBondContact O-N 2.81Å; T291-Q295 WeakPolarHBondContact O-CG 3.2Å; T291-Q295 PolarHBondContact O-N 3.27Å
292R74.7Confident66.2Low175 Ų175107.7 Ų107.766%0.6654%0.536SS*.Hα-helixtrans-66-40.9176.1-170.7176.7178.6-179.4-0.2112.5Y288 T289 H290 Q295 I296Y288-R292 WeakPolarHBondContact O-CB 3.16Å; Y288-R292 PolarHBondContact O-N 2.82Å; Y288-R292 VanDerWaalsContact O-N 3.17Å; T289-R292 PolarHBondContact O-N 2.96Å; H290-R292 PolarHBondContact O-N 2.89Å; R292-Q295 PolarHBondContact O-N 3.31Å; R292-I296 HydrophobicContact CG-CD1 4.08Å; R292-I296 VanDerWaalsContact O-CG1 3.26Å; R292-I296 WeakPolarHBondContact O-CG1 3.26Å; R292-I296 PolarHBondContact O-N 2.93Å
293Q75Confident68.2Low96 Ų96106.1 Ų106.145%0.44952%0.52SS..Hα-helixtrans-65-41.1175.4-75.9179.3-5.500111.9T289 H290 I296 L297T289-Q293 WeakPolarHBondContact O-CB 3.16Å; T289-Q293 WeakPolarHBondContact O-CG 3.39Å; T289-Q293 PolarHBondContact O-N 3Å; H290-Q293 PolarHBondContact O-N 2.77Å; Q293-I296 PolarHBondContact O-N 3.33Å; Q293-L297 WeakPolarHBondContact O-CB 3.12Å; Q293-L297 PolarHBondContact O-N 3.09Å
294Q75.7Confident69.8Low102 Ų102104.6 Ų104.648%0.47750%0.504SS..Hα-helixtrans-63.1-40.5174.2-74.1-175.2-17.800112.1H290 T291 L297 L298H290-Q294 PolarHBondContact CE1-NE2 2.9Å; H290-Q294 WeakPolarHBondContact O-CB 3.5Å; H290-Q294 WeakPolarHBondContact O-CG 3.33Å; H290-Q294 PolarHBondContact O-N 3.45Å; T291-Q294 PolarHBondContact O-N 2.81Å; Q294-L297 PolarHBondContact O-N 3.05Å; Q294-L298 VanDerWaalsContact O-CB 3.29Å; Q294-L298 WeakPolarHBondContact O-CB 3.31Å; Q294-L298 PolarHBondContact O-N 2.83Å
295Q80.6Confident71.1Confident127 Ų127109 Ų10959%0.59351%0.509SS*.Hα-helixtrans-62.8-47.3174.5-76.5176.3-13.200111.8T291 R292 L297 L298 E299T291-Q295 WeakPolarHBondContact O-CG 3.2Å; T291-Q295 PolarHBondContact O-N 3.27Å; R292-Q295 PolarHBondContact O-N 3.31Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.23Å; Q295-L298 PolarHBondContact O-N 3.3Å; Q295-L298 VanDerWaalsContact O-N 3.17Å; Q295-E299 WeakPolarHBondContact O-CG 3.36Å; Q295-E299 PolarHBondContact O-N 2.94Å
296I79.5Confident72.4Confident83 Ų83108 Ų10843%0.42650%0.5SS..Hα-helixtrans-60.5-42.6177.2-67.5164.5000110.8R292 Q293 E299 Y300R292-I296 HydrophobicContact CG-CD1 4.08Å; R292-I296 VanDerWaalsContact O-CG1 3.26Å; R292-I296 WeakPolarHBondContact O-CG1 3.26Å; R292-I296 PolarHBondContact O-N 2.93Å; Q293-I296 PolarHBondContact O-N 3.33Å; I296-E299 PolarHBondContact O-N 3.11Å; I296-Y300 VanDerWaalsContact O-CB 3.3Å; I296-Y300 WeakPolarHBondContact O-CB 3.31Å; I296-Y300 PolarHBondContact O-N 3.45Å
297L82.4Confident73.7Confident55 Ų55107.1 Ų107.129%0.28850%0.495SS..Hα-helixtrans-65.5-38.6176.9-177.364.2000112Q293 Q294 Q295 Y300 K301Q293-L297 WeakPolarHBondContact O-CB 3.12Å; Q293-L297 PolarHBondContact O-N 3.09Å; Q294-L297 PolarHBondContact O-N 3.05Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.23Å; L297-Y300 PolarHBondContact O-N 2.8Å; L297-K301 WeakPolarHBondContact O-CB 3.45Å; L297-K301 WeakPolarHBondContact O-CG 3.22Å; L297-K301 PolarHBondContact O-N 3.49Å
298L79.8Confident74.8Confident106 Ų106107.5 Ų107.556%0.55549%0.493SS*.Hα-helixtrans-68.4-43.3177.8-163.8152.5000110.8Q294 Q295 Y300 K301 L302Q294-L298 VanDerWaalsContact O-CB 3.29Å; Q294-L298 WeakPolarHBondContact O-CB 3.31Å; Q294-L298 PolarHBondContact O-N 2.83Å; Q295-L298 PolarHBondContact O-N 3.3Å; Q295-L298 VanDerWaalsContact O-N 3.17Å; L298-Y300 VanDerWaalsContact C-N 3.34Å; L298-Y300 PolarHBondContact O-N 3.16Å; L298-K301 PolarHBondContact O-N 2.84Å; L298-L302 HydrophobicContact CD2-CD1 3.51Å; L298-L302 HydrophobicContact CD2-CG 3.98Å; L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.48Å; L298-L302 PolarHBondContact O-N 2.93Å
299E78.8Confident76Confident121 Ų121103 Ų10357%0.56548%0.481SS*.Hα-helixtrans-59.8-43.3171.8-74.3-173.8172.400111.8Q295 I296 L302 N303Q295-E299 WeakPolarHBondContact O-CG 3.36Å; Q295-E299 PolarHBondContact O-N 2.94Å; I296-E299 PolarHBondContact O-N 3.11Å; E299-L302 PolarHBondContact O-N 2.69Å; E299-N303 WeakPolarHBondContact O-CB 3.21Å; E299-N303 PolarHBondContact O-N 3.36Å; E299-N303 PolarHBondContact O-ND2 3.47Å
300Y79.6Confident77Confident84 Ų84104.8 Ų104.833%0.32948%0.484SS..Hα-helixtrans-60.5-50.8175.5-177.3-93.9000111.5I296 L297 L298 L302 N303 E304I296-Y300 VanDerWaalsContact O-CB 3.3Å; I296-Y300 WeakPolarHBondContact O-CB 3.31Å; I296-Y300 PolarHBondContact O-N 3.45Å; L297-Y300 PolarHBondContact O-N 2.8Å; L298-Y300 VanDerWaalsContact C-N 3.34Å; L298-Y300 PolarHBondContact O-N 3.16Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.33Å; Y300-N303 PolarHBondContact O-N 3.18Å; Y300-N303 VanDerWaalsContact O-N 3.12Å; Y300-E304 HydrophobicContact CD1-CG 4.22Å; Y300-E304 HydrophobicContact CE1-CG 3.73Å; Y300-E304 WeakPolarHBondContact CE1-OE1 3.47Å; Y300-E304 PolarHBondContact O-N 2.8Å; Y300-E304 PolarHBondContact OH-OE1 2.86Å
301K79.1Confident77.8Confident111 Ų111102.6 Ų102.648%0.48348%0.479SS..Hα-helixtrans-61.2-37176.5-75.3-179.1-179.2178.20112.5L297 L298 R305L297-K301 WeakPolarHBondContact O-CB 3.45Å; L297-K301 WeakPolarHBondContact O-CG 3.22Å; L297-K301 PolarHBondContact O-N 3.49Å; L298-K301 PolarHBondContact O-N 2.84Å; K301-R305 WeakPolarHBondContact O-CB 3.42Å; K301-R305 VanDerWaalsContact O-CG 3.28Å; K301-R305 WeakPolarHBondContact O-CG 3.39Å; K301-R305 PolarHBondContact O-N 3.4Å; K301-R305 VanDerWaalsContact O-N 3.09Å
302L77.5Confident78.2Confident74 Ų74102.9 Ų102.939%0.38747%0.473SS..Hα-helixtrans-66.8-41.1174.4-76178.1000111.6L298 E299 Y300 R305 R306L298-L302 HydrophobicContact CD2-CD1 3.51Å; L298-L302 HydrophobicContact CD2-CG 3.98Å; L298-L302 WeakPolarHBondContact O-CB 3.47Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.48Å; L298-L302 PolarHBondContact O-N 2.93Å; E299-L302 PolarHBondContact O-N 2.69Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.33Å; L302-R305 PolarHBondContact O-N 3.3Å; L302-R306 WeakPolarHBondContact O-CB 3.44Å; L302-R306 VanDerWaalsContact O-CG 3.28Å; L302-R306 WeakPolarHBondContact O-CG 3.25Å; L302-R306 PolarHBondContact O-N 2.98Å
303N78.1Confident78.7Confident85 Ų8595.5 Ų95.546%0.45545%0.449SS..Hα-helixtrans-68.1-41.1177.8-73.8-22.3000112E299 Y300 R305 R306 L307E299-N303 WeakPolarHBondContact O-CB 3.21Å; E299-N303 PolarHBondContact O-N 3.36Å; E299-N303 PolarHBondContact O-ND2 3.47Å; Y300-N303 PolarHBondContact O-N 3.18Å; Y300-N303 VanDerWaalsContact O-N 3.12Å; N303-R305 PolarHBondContact O-N 2.84Å; N303-R306 WeakPolarHBondContact O-CB 3.46Å; N303-R306 PolarHBondContact O-N 2.93Å; N303-L307 WeakPolarHBondContact O-CB 3.3Å; N303-L307 PolarHBondContact O-N 3.42Å
304E76.6Confident79.1Confident89 Ų8991.3 Ų91.342%0.41643%0.43SS..Hα-helixtrans-60.8-45.2172.5-76.7-166.5148.800111.9Y300 R306 L307 H308Y300-E304 HydrophobicContact CD1-CG 4.22Å; Y300-E304 HydrophobicContact CE1-CG 3.73Å; Y300-E304 WeakPolarHBondContact CE1-OE1 3.47Å; Y300-E304 PolarHBondContact O-N 2.8Å; Y300-E304 PolarHBondContact OH-OE1 2.86Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 3.34Å; E304-L307 PolarHBondContact O-N 2.85Å; E304-H308 WeakPolarHBondContact O-CB 3.47Å; E304-H308 PolarHBondContact O-N 3.33Å
305R76.4Confident79.7Confident169 Ų16992.9 Ų92.964%0.63843%0.432SS*.Hα-helixtrans-61.6-39.2175.4-74.3175.6-176.7-176.82111.8K301 L302 N303 N309K301-R305 WeakPolarHBondContact O-CB 3.42Å; K301-R305 VanDerWaalsContact O-CG 3.28Å; K301-R305 WeakPolarHBondContact O-CG 3.39Å; K301-R305 PolarHBondContact O-N 3.4Å; K301-R305 VanDerWaalsContact O-N 3.09Å; L302-R305 PolarHBondContact O-N 3.3Å; N303-R305 PolarHBondContact O-N 2.84Å; R305-N309 WeakPolarHBondContact O-CB 3.3Å; R305-N309 PolarHBondContact O-N 3.47Å; R305-N309 VanDerWaalsContact O-N 3.09Å; R305-N309 PolarHBondContact O-ND2 2.88Å
306R75Confident80.1Confident156 Ų15687.6 Ų87.659%0.58941%0.407SS*.Hα-helixtrans-64.2-48.6175.2-76171.7179.4177.3-0.3110.7L302 N303 E304 N309 Q310L302-R306 WeakPolarHBondContact O-CB 3.44Å; L302-R306 VanDerWaalsContact O-CG 3.28Å; L302-R306 WeakPolarHBondContact O-CG 3.25Å; L302-R306 PolarHBondContact O-N 2.98Å; N303-R306 WeakPolarHBondContact O-CB 3.46Å; N303-R306 PolarHBondContact O-N 2.93Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 3.34Å; R306-N309 PolarHBondContact O-N 2.91Å; R306-Q310 WeakPolarHBondContact O-CB 3.45Å; R306-Q310 WeakPolarHBondContact O-CG 3.25Å; R306-Q310 PolarHBondContact O-N 3.28Å
307L75.6Confident80.5Confident102 Ų10283.7 Ų83.753%0.53439%0.387SS..Hα-helixtrans-61.2-45.9179.2-17567.2000111.6N303 E304 N309 Q310 A311N303-L307 WeakPolarHBondContact O-CB 3.3Å; N303-L307 PolarHBondContact O-N 3.42Å; E304-L307 PolarHBondContact O-N 2.85Å; L307-N309 PolarHBondContact O-N 3.44Å; L307-Q310 PolarHBondContact O-N 3.46Å; L307-A311 WeakPolarHBondContact O-CB 3.28Å; L307-A311 PolarHBondContact O-N 3.22Å
308H76.5Confident80.8Confident124 Ų12481.9 Ų81.957%0.57438%0.378SS*.Hα-helixtrans-61.4-43177-179.8-88.2000112E304 A311 R312E304-H308 WeakPolarHBondContact O-CB 3.47Å; E304-H308 PolarHBondContact O-N 3.33Å; H308-A311 PolarHBondContact O-N 2.84Å; H308-R312 WeakPolarHBondContact O-CB 3.46Å; H308-R312 PolarHBondContact O-N 2.83Å
309N78.7Confident81.3Confident85 Ų8580.2 Ų80.246%0.45537%0.37SS..Hα-helixtrans-66.1-37.3176-72.3-32.6000112.3R305 R306 L307 A313R305-N309 WeakPolarHBondContact O-CB 3.3Å; R305-N309 PolarHBondContact O-N 3.47Å; R305-N309 VanDerWaalsContact O-N 3.09Å; R305-N309 PolarHBondContact O-ND2 2.88Å; R306-N309 PolarHBondContact O-N 2.91Å; L307-N309 PolarHBondContact O-N 3.44Å; N309-A313 WeakPolarHBondContact O-CB 3.28Å; N309-A313 PolarHBondContact O-N 3.21Å
310Q80.4Confident81.8Confident117 Ų11774.6 Ų74.655%0.54734%0.344SS..Hα-helixtrans-67.4-44.3174.9-76.2178.2-19.300112.1R306 L307 R312 A313 T314R306-Q310 WeakPolarHBondContact O-CB 3.45Å; R306-Q310 WeakPolarHBondContact O-CG 3.25Å; R306-Q310 PolarHBondContact O-N 3.28Å; L307-Q310 PolarHBondContact O-N 3.46Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.86Å; Q310-A313 PolarHBondContact O-N 3.46Å; Q310-T314 WeakPolarHBondContact O-CB 3.45Å; Q310-T314 PolarHBondContact O-N 3.48Å; Q310-T314 PolarHBondContact O-OG1 2.89Å
311A80Confident82.3Confident29 Ų2970.6 Ų70.624%0.2433%0.328CS..Hα-helixtrans-61-42.1176.400000111.2L307 H308 T314 R315L307-A311 WeakPolarHBondContact O-CB 3.28Å; L307-A311 PolarHBondContact O-N 3.22Å; H308-A311 PolarHBondContact O-N 2.84Å; A311-T314 PolarHBondContact O-N 2.98Å; A311-R315 WeakPolarHBondContact O-CG 3.5Å; A311-R315 PolarHBondContact O-N 3.27Å
312R83Confident82.9Confident70 Ų7068.1 Ų68.126%0.26432%0.322SS..Hα-helixtrans-63-46.2175.1-176.3-178.8-179.7149.413.8112.5H308 Q310 T314 R315 M316 M371H308-R312 WeakPolarHBondContact O-CB 3.46Å; H308-R312 PolarHBondContact O-N 2.83Å; Q310-R312 VanDerWaalsContact C-N 3.31Å; Q310-R312 PolarHBondContact O-N 2.86Å; R312-T314 VanDerWaalsContact C-N 3.29Å; R312-T314 PolarHBondContact O-N 3.12Å; R312-R315 PolarHBondContact O-N 3.16Å; R312-M316 PolarHBondContact O-N 3Å; R312-M371 PolarHBondContact NE-O 3.23Å; R312-M371 PolarHBondContact NH2-O 2.97Å
313A83.6Confident83.6Confident21 Ų2165.6 Ų65.617%0.17431%0.31CS..Hα-helixtrans-61.9-40.2176.900000111.4N309 Q310 M316 I317N309-A313 WeakPolarHBondContact O-CB 3.28Å; N309-A313 PolarHBondContact O-N 3.21Å; Q310-A313 PolarHBondContact O-N 3.46Å; A313-M316 WeakPolarHBondContact O-CB 3.45Å; A313-M316 PolarHBondContact O-N 3.25Å; A313-I317 WeakPolarHBondContact O-CD1 3.5Å; A313-I317 WeakPolarHBondContact O-CG1 3.49Å; A313-I317 PolarHBondContact O-N 3.45Å; A313-I317 VanDerWaalsContact O-N 3.09Å
314T84.9Confident84.3Confident8 Ų861.6 Ų61.65%0.04929%0.288CS..Hα-helixtrans-60.7-50.1175.2-55.40000110.9I131 L222 Q310 A311 R312 M316 I317 T318I131-T314 HydrophobicContact CD1-CG2 3.29Å; I131-T314 HydrophobicContact CG1-CG2 4.44Å; L222-T314 HydrophobicContact CD1-CG2 3.91Å; L222-T314 HydrophobicContact CD2-CG2 3.87Å; L222-T314 HydrophobicContact CG-CG2 4.05Å; Q310-T314 WeakPolarHBondContact O-CB 3.45Å; Q310-T314 PolarHBondContact O-N 3.48Å; Q310-T314 PolarHBondContact O-OG1 2.89Å; A311-T314 PolarHBondContact O-N 2.98Å; R312-T314 VanDerWaalsContact C-N 3.29Å; R312-T314 PolarHBondContact O-N 3.12Å; T314-M316 VanDerWaalsContact C-N 3.28Å; T314-M316 PolarHBondContact O-N 3.38Å; T314-I317 PolarHBondContact O-N 3.03Å; T314-T318 PolarHBondContact O-N 3.18Å; T314-T318 PolarHBondContact O-OG1 2.98Å
315R87.1Confident84.9Confident135 Ų13559.1 Ų59.151%0.50928%0.277SS..Hα-helixtrans-57.8-40.8177.8-70.2178.6-165.3176.25.5112.6A311 R312 I317 L319 M371A311-R315 WeakPolarHBondContact O-CG 3.5Å; A311-R315 PolarHBondContact O-N 3.27Å; R312-R315 PolarHBondContact O-N 3.16Å; R315-I317 VanDerWaalsContact C-N 3.31Å; R315-I317 PolarHBondContact O-N 3.32Å; R315-L319 VanDerWaalsContact O-CB 3.26Å; R315-L319 WeakPolarHBondContact O-CB 3.24Å; R315-L319 PolarHBondContact O-N 3.44Å; R315-M371 HydrophobicContact CB-CE 3.51Å
316M89Confident85.6Confident16 Ų1656.5 Ų56.58%0.07928%0.275CS..Hα-helixtrans-58.9-44.4175.9177.7-173.5171.600111.3L64 R312 A313 T314 L319 L320 I367 Y368 M371L64-M316 HydrophobicContact CD1-CE 4.25Å; L64-M316 HydrophobicContact CD2-CE 4.42Å; R312-M316 PolarHBondContact O-N 3Å; A313-M316 WeakPolarHBondContact O-CB 3.45Å; A313-M316 PolarHBondContact O-N 3.25Å; T314-M316 VanDerWaalsContact C-N 3.28Å; T314-M316 PolarHBondContact O-N 3.38Å; M316-L319 PolarHBondContact O-N 2.9Å; M316-L320 WeakPolarHBondContact O-CB 3.48Å; M316-L320 PolarHBondContact O-N 3.44Å; M316-I367 HydrophobicContact CG-CG2 4.31Å; M316-Y368 HydrophobicContact CE-CD1 3.23Å; M316-Y368 HydrophobicContact CE-CE1 3.64Å; M316-Y368 HydrophobicContact CE-CG 4.22Å; M316-M371 HydrophobicContact CB-CB 3.83Å; M316-M371 HydrophobicContact CB-CE 4.43Å; M316-M371 HydrophobicContact CB-CG 4.4Å; M316-M371 HydrophobicContact CG-CB 3.82Å
317I88.1Confident86.4Confident1 Ų151.2 Ų51.21%0.00526%0.257CS..Hα-helixtrans-73.8-43.1-178-68.8149.2000111.3M60 I123 R127 A313 T314 R315 L319 L320 T321M60-I317 HydrophobicContact CE-CD1 3.13Å; M60-I317 HydrophobicContact CE-CG1 3.22Å; M60-I317 HydrophobicContact SD-CD1 3.51Å; M60-I317 VanDerWaalsContact SD-CD1 3.51Å; M60-I317 HydrophobicContact SD-CG1 4.28Å; I123-I317 HydrophobicContact CG2-CD1 4.35Å; I123-I317 HydrophobicContact CG2-CG1 4Å; I123-I317 HydrophobicContact CG2-CG2 3.91Å; R127-I317 HydrophobicContact CB-CD1 4.25Å; R127-I317 HydrophobicContact CB-CG2 4.23Å; R127-I317 HydrophobicContact CG-CD1 3.29Å; R127-I317 HydrophobicContact CG-CG1 4.31Å; R127-I317 HydrophobicContact CG-CG2 4.19Å; A313-I317 WeakPolarHBondContact O-CD1 3.5Å; A313-I317 WeakPolarHBondContact O-CG1 3.49Å; A313-I317 PolarHBondContact O-N 3.45Å; A313-I317 VanDerWaalsContact O-N 3.09Å; T314-I317 PolarHBondContact O-N 3.03Å; R315-I317 VanDerWaalsContact C-N 3.31Å; R315-I317 PolarHBondContact O-N 3.32Å; I317-L319 PolarHBondContact O-N 3.4Å; I317-L320 WeakPolarHBondContact O-CB 3.3Å; I317-L320 PolarHBondContact O-N 2.93Å; I317-L320 VanDerWaalsContact O-N 3.14Å; I317-T321 HydrophobicContact CG2-CG2 4.38Å; I317-T321 WeakPolarHBondContact O-CG2 3.28Å; I317-T321 PolarHBondContact O-N 3.38Å; I317-T321 PolarHBondContact O-OG1 3.1Å; I317-T321 VanDerWaalsContact O-OG1 3.08Å
318T88.6Confident87Confident16 Ų1646.4 Ų46.410%0.09823%0.231CC..Hα-helixtrans-56.8-39.6173.4-550000110.9T215 T314 T321 V322T215-T318 HydrophobicContact CG2-CG2 4.31Å; T314-T318 PolarHBondContact O-N 3.18Å; T314-T318 PolarHBondContact O-OG1 2.98Å; T318-T321 VanDerWaalsContact C-OG1 3.28Å; T318-T321 VanDerWaalsContact CA-OG1 3.24Å; T318-T321 WeakPolarHBondContact CA-OG1 3.44Å; T318-T321 PolarHBondContact O-N 3.18Å; T318-T321 PolarHBondContact O-OG1 3.47Å; T318-V322 WeakPolarHBondContact O-CB 3.37Å; T318-V322 WeakPolarHBondContact O-CG2 3.43Å; T318-V322 PolarHBondContact O-N 3.25Å
319L89.9Confident87.5Confident71 Ų7141.3 Ų41.337%0.37221%0.211SC..Hα-helixtrans-70.3-41.8177.9-164.5154.9000111.2R315 M316 I317 T321 V322 V323 I367R315-L319 VanDerWaalsContact O-CB 3.26Å; R315-L319 WeakPolarHBondContact O-CB 3.24Å; R315-L319 PolarHBondContact O-N 3.44Å; M316-L319 PolarHBondContact O-N 2.9Å; I317-L319 PolarHBondContact O-N 3.4Å; L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 PolarHBondContact O-N 3.41Å; L319-V322 PolarHBondContact O-N 2.96Å; L319-V323 HydrophobicContact CD2-CG2 4.08Å; L319-V323 WeakPolarHBondContact O-CB 3.46Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 3.34Å; L319-I367 HydrophobicContact CD2-CB 4.13Å; L319-I367 HydrophobicContact CD2-CD1 3.43Å; L319-I367 VanDerWaalsContact CD2-CD1 3.43Å; L319-I367 HydrophobicContact CD2-CG1 3.3Å; L319-I367 HydrophobicContact CD2-CG2 3.77Å
320L90.2Very high88Confident4 Ų439.8 Ų39.82%0.02121%0.206CC..Hα-helixtrans-59.1-42.8173.3-170.3149.4000112L67 I120 M316 I317 V323 F324 Y368L67-L320 HydrophobicContact CD2-CD1 4.09Å; L67-L320 HydrophobicContact CD2-CD2 4.41Å; I120-L320 HydrophobicContact CB-CD2 4.28Å; I120-L320 HydrophobicContact CD1-CD2 4.09Å; I120-L320 HydrophobicContact CG1-CD2 3.86Å; I120-L320 HydrophobicContact CG2-CD2 3.62Å; M316-L320 WeakPolarHBondContact O-CB 3.48Å; M316-L320 PolarHBondContact O-N 3.44Å; I317-L320 WeakPolarHBondContact O-CB 3.3Å; I317-L320 PolarHBondContact O-N 2.93Å; I317-L320 VanDerWaalsContact O-N 3.14Å; L320-V323 PolarHBondContact O-N 3.33Å; L320-F324 WeakPolarHBondContact O-CB 3.45Å; L320-F324 PolarHBondContact O-N 3.28Å; L320-Y368 HydrophobicContact CD1-CE1 3.69Å
321T90.1Very high88.2Confident0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-69.3-36.3177.651.10000112.7I120 V211 T215 I317 T318 L319 I325I120-T321 HydrophobicContact CG2-CG2 4.34Å; V211-T321 HydrophobicContact CG1-CG2 3.74Å; T215-T321 PolarHBondContact OG1-OG1 3.23Å; I317-T321 HydrophobicContact CG2-CG2 4.38Å; I317-T321 WeakPolarHBondContact O-CG2 3.28Å; I317-T321 PolarHBondContact O-N 3.38Å; I317-T321 PolarHBondContact O-OG1 3.1Å; I317-T321 VanDerWaalsContact O-OG1 3.08Å; T318-T321 VanDerWaalsContact C-OG1 3.28Å; T318-T321 VanDerWaalsContact CA-OG1 3.24Å; T318-T321 WeakPolarHBondContact CA-OG1 3.44Å; T318-T321 PolarHBondContact O-N 3.18Å; T318-T321 PolarHBondContact O-OG1 3.47Å; L319-T321 VanDerWaalsContact C-N 3.33Å; L319-T321 PolarHBondContact O-N 3.41Å; T321-I325 WeakPolarHBondContact O-CD1 3.24Å; T321-I325 VanDerWaalsContact O-CG1 3.24Å; T321-I325 WeakPolarHBondContact O-CG1 3.36Å; T321-I325 PolarHBondContact O-N 3.02Å
322V91.6Very high88.5Confident59 Ų5936.1 Ų36.136%0.35818%0.184SC..Hα-helixtrans-66.1-45.7175.3166.70000110.4T215 T318 L319 I325 L326T215-V322 HydrophobicContact CG2-CG2 4.16Å; T318-V322 WeakPolarHBondContact O-CB 3.37Å; T318-V322 WeakPolarHBondContact O-CG2 3.43Å; T318-V322 PolarHBondContact O-N 3.25Å; L319-V322 PolarHBondContact O-N 2.96Å; V322-I325 PolarHBondContact O-N 3.17Å; V322-L326 HydrophobicContact CG1-CD1 4.02Å; V322-L326 HydrophobicContact CG1-CG 4.45Å; V322-L326 VanDerWaalsContact O-CG 3.3Å; V322-L326 WeakPolarHBondContact O-CG 3.3Å; V322-L326 PolarHBondContact O-N 2.97Å
323V92.8Very high88.7Confident21 Ų2137.9 Ų37.913%0.12719%0.194CC..Hα-helixtrans-60.7-46.5175.9165.20000110.5L319 L320 I325 L326 F327 D360 A363 I367L319-V323 HydrophobicContact CD2-CG2 4.08Å; L319-V323 WeakPolarHBondContact O-CB 3.46Å; L319-V323 WeakPolarHBondContact O-CG2 3.34Å; L319-V323 PolarHBondContact O-N 3.34Å; L320-V323 PolarHBondContact O-N 3.33Å; V323-I325 VanDerWaalsContact C-N 3.35Å; V323-I325 PolarHBondContact O-N 2.77Å; V323-L326 PolarHBondContact O-N 2.83Å; V323-F327 HydrophobicContact CG1-CD2 3.64Å; V323-F327 HydrophobicContact CG1-CE2 3.77Å; V323-F327 VanDerWaalsContact O-CD2 3.29Å; V323-F327 WeakPolarHBondContact O-CD2 3.46Å; V323-F327 PolarHBondContact O-N 2.79Å; V323-D360 WeakPolarHBondContact CG1-OD1 3.47Å; V323-A363 HydrophobicContact CG1-CB 3.63Å; V323-I367 HydrophobicContact CB-CD1 3.97Å; V323-I367 HydrophobicContact CG1-CD1 4.08Å; V323-I367 HydrophobicContact CG2-CD1 3.86Å
324F91.2Very high88.7Confident0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-54-47.9173172.4-104.3000112.6N117 I120 I208 V211 L320 L326 F327 E328N117-F324 HydrophobicContact CB-CE2 4.13Å; N117-F324 HydrophobicContact CB-CZ 4.03Å; N117-F324 WeakPolarHBondContact OD1-CE2 3.46Å; I120-F324 HydrophobicContact CD1-CB 4.25Å; I120-F324 HydrophobicContact CD1-CD2 3.63Å; I120-F324 HydrophobicContact CD1-CE2 4.27Å; I120-F324 HydrophobicContact CD1-CG 4.07Å; I120-F324 HydrophobicContact CG2-CB 4.19Å; I120-F324 HydrophobicContact CG2-CD1 4.21Å; I120-F324 HydrophobicContact CG2-CG 4.03Å; I208-F324 HydrophobicContact CG1-CE1 4.11Å; I208-F324 HydrophobicContact CG1-CZ 4.34Å; V211-F324 HydrophobicContact CB-CD1 4.37Å; V211-F324 HydrophobicContact CB-CE1 4.4Å; V211-F324 HydrophobicContact CG1-CD1 4.07Å; V211-F324 HydrophobicContact CG2-CD1 4.28Å; V211-F324 HydrophobicContact CG2-CE1 4.15Å; L320-F324 WeakPolarHBondContact O-CB 3.45Å; L320-F324 PolarHBondContact O-N 3.28Å; F324-L326 VanDerWaalsContact C-N 3.32Å; F324-L326 PolarHBondContact O-N 3.38Å; F324-F327 PolarHBondContact O-N 2.91Å; F324-E328 HydrophobicContact CD2-CB 4.24Å; F324-E328 HydrophobicContact CE2-CB 3.87Å; F324-E328 HydrophobicContact CE2-CG 3.87Å; F324-E328 HydrophobicContact CZ-CB 4.05Å; F324-E328 HydrophobicContact CZ-CG 3.92Å; F324-E328 WeakPolarHBondContact O-CB 3.06Å; F324-E328 PolarHBondContact O-N 3.48Å
325I90.2Very high88.5Confident37 Ų3738.5 Ų38.519%0.1920%0.196CC..Hα-helixtrans-60.5-43.2176.8-68.3160.4000110.8V211 V212 T321 V322 V323 F327 A329V211-I325 HydrophobicContact CG1-CD1 3.98Å; V211-I325 HydrophobicContact CG1-CG1 4.04Å; V212-I325 HydrophobicContact CG2-CD1 3.67Å; V212-I325 HydrophobicContact CG2-CG1 4.01Å; V212-I325 HydrophobicContact CG2-CG2 4.49Å; T321-I325 WeakPolarHBondContact O-CD1 3.24Å; T321-I325 VanDerWaalsContact O-CG1 3.24Å; T321-I325 WeakPolarHBondContact O-CG1 3.36Å; T321-I325 PolarHBondContact O-N 3.02Å; V322-I325 PolarHBondContact O-N 3.17Å; V323-I325 VanDerWaalsContact C-N 3.35Å; V323-I325 PolarHBondContact O-N 2.77Å; I325-F327 PolarHBondContact O-N 2.87Å; I325-A329 HydrophobicContact CG2-CB 4.49Å; I325-A329 WeakPolarHBondContact O-CB 3.27Å; I325-A329 PolarHBondContact O-N 3.42Å
326L91.6Very high88.3Confident115 Ų11535.1 Ų35.160%0.60219%0.19SC*.Hα-helixtrans-64.8-37.6-178.4-71.5171.9000112.9V322 V323 F324 P330V322-L326 HydrophobicContact CG1-CD1 4.02Å; V322-L326 HydrophobicContact CG1-CG 4.45Å; V322-L326 VanDerWaalsContact O-CG 3.3Å; V322-L326 WeakPolarHBondContact O-CG 3.3Å; V322-L326 PolarHBondContact O-N 2.97Å; V323-L326 PolarHBondContact O-N 2.83Å; F324-L326 VanDerWaalsContact C-N 3.32Å; F324-L326 PolarHBondContact O-N 3.38Å; L326-P330 WeakPolarHBondContact O-CD 3.23Å; L326-P330 WeakPolarHBondContact O-CG 3.22Å
327F90.4Very high88.1Confident44 Ų4438.4 Ų38.419%0.19320%0.204CC..Hα-helixtrans-85.9-33.9-179.6-76.9-78.4000113.2V323 F324 I325 L356 L359 D360 A363V323-F327 HydrophobicContact CG1-CD2 3.64Å; V323-F327 HydrophobicContact CG1-CE2 3.77Å; V323-F327 VanDerWaalsContact O-CD2 3.29Å; V323-F327 WeakPolarHBondContact O-CD2 3.46Å; V323-F327 PolarHBondContact O-N 2.79Å; F324-F327 PolarHBondContact O-N 2.91Å; I325-F327 PolarHBondContact O-N 2.87Å; F327-L356 HydrophobicContact CD1-CB 4.11Å; F327-L356 HydrophobicContact CD1-CD2 3.45Å; F327-L356 VanDerWaalsContact CD1-CD2 3.45Å; F327-L356 HydrophobicContact CD1-CG 4.41Å; F327-L356 VanDerWaalsContact CD1-O 3.28Å; F327-L356 WeakPolarHBondContact CD1-O 3.39Å; F327-L356 HydrophobicContact CE1-CD2 3.66Å; F327-L359 HydrophobicContact CD1-CB 4.33Å; F327-L359 HydrophobicContact CE1-CB 3.67Å; F327-L359 HydrophobicContact CE1-CD1 4.42Å; F327-L359 HydrophobicContact CZ-CB 4.23Å; F327-D360 HydrophobicContact CB-CB 3.75Å; F327-D360 HydrophobicContact CD1-CB 4.35Å; F327-D360 HydrophobicContact CD2-CB 4.07Å; F327-D360 HydrophobicContact CG-CB 3.81Å; F327-A363 HydrophobicContact CE2-CB 4.16Å
328E88.4Confident87.7Confident1 Ų140.8 Ų40.81%0.00522%0.215CC..Hα-helixtrans-89.4-29.1-176.4-155.976.9179.400113.1R116 N117 I208 F324 V331 F332R116-E328 IonicContact NH2-OE1 2.92Å; R116-E328 IonicContact NH2-OE2 3.41Å; R116-E328 PolarHBondContact NH2-OE2 3.41Å; N117-E328 PolarHBondContact ND2-OE1 3.08Å; I208-E328 HydrophobicContact CD1-CB 4.24Å; I208-E328 HydrophobicContact CD1-CG 3.94Å; I208-E328 HydrophobicContact CG1-CB 4.48Å; I208-E328 HydrophobicContact CG1-CG 4.31Å; F324-E328 HydrophobicContact CD2-CB 4.24Å; F324-E328 HydrophobicContact CE2-CB 3.87Å; F324-E328 HydrophobicContact CE2-CG 3.87Å; F324-E328 HydrophobicContact CZ-CB 4.05Å; F324-E328 HydrophobicContact CZ-CG 3.92Å; F324-E328 WeakPolarHBondContact O-CB 3.06Å; F324-E328 PolarHBondContact O-N 3.48Å; E328-V331 VanDerWaalsContact O-CB 3.32Å; E328-V331 WeakPolarHBondContact O-CB 3.43Å; E328-V331 PolarHBondContact O-N 3.47Å; E328-V331 VanDerWaalsContact O-N 3.09Å; E328-F332 PolarHBondContact O-N 3Å
329A88Confident87.3Confident17 Ų1748 Ų4814%0.1424%0.242CC..Hα-helixtrans-60.3-41.2179.500000113.4I325 V331 F332 F333I325-A329 HydrophobicContact CG2-CB 4.49Å; I325-A329 WeakPolarHBondContact O-CB 3.27Å; I325-A329 PolarHBondContact O-N 3.42Å; A329-V331 VanDerWaalsContact C-N 3.26Å; A329-V331 PolarHBondContact O-N 2.87Å; A329-F332 WeakPolarHBondContact O-CB 3.31Å; A329-F332 PolarHBondContact O-N 2.87Å; A329-F332 VanDerWaalsContact O-N 3.17Å; A329-F333 HydrophobicContact CB-CD2 4.37Å; A329-F333 HydrophobicContact CB-CE2 4.13Å; A329-F333 WeakPolarHBondContact O-CD2 3.21Å; A329-F333 PolarHBondContact O-N 2.8Å
330P88.7Confident87Confident53 Ų5352.6 Ų52.634%0.34426%0.259SS..Hα-helixtrans-58.2-38172.9-25.635.6000112.9L326 F332 F333 C334 L353L326-P330 WeakPolarHBondContact O-CD 3.23Å; L326-P330 WeakPolarHBondContact O-CG 3.22Å; P330-F332 VanDerWaalsContact C-N 3.35Å; P330-F333 PolarHBondContact O-N 3.49Å; P330-C334 WeakPolarHBondContact O-CB 3.12Å; P330-C334 PolarHBondContact O-N 3.2Å; P330-L353 HydrophobicContact CB-CD2 3.77Å
331V84.8Confident86.4Confident22 Ų2256.2 Ų56.213%0.13328%0.275CS..Hα-helixtrans-62.7-46.9176.3-173.50000109.7E328 A329 C334 V335 L353E328-V331 VanDerWaalsContact O-CB 3.32Å; E328-V331 WeakPolarHBondContact O-CB 3.43Å; E328-V331 PolarHBondContact O-N 3.47Å; E328-V331 VanDerWaalsContact O-N 3.09Å; A329-V331 VanDerWaalsContact C-N 3.26Å; A329-V331 PolarHBondContact O-N 2.87Å; V331-C334 PolarHBondContact O-N 2.87Å; V331-V335 WeakPolarHBondContact O-CG2 3.23Å; V331-V335 PolarHBondContact O-N 3.29Å; V331-L353 HydrophobicContact CB-CD2 4.33Å; V331-L353 HydrophobicContact CG2-CB 4.21Å; V331-L353 HydrophobicContact CG2-CD2 3.82Å; V331-L353 HydrophobicContact CG2-CG 4.43Å
332F86.2Confident85.9Confident48 Ų4861.2 Ų61.221%0.21130%0.301CS..Hα-helixtrans-60.3-47.5178.5171.6-97.7000112.4F200 A205 I208 E328 A329 P330 V335 T336F200-F332 AromaticContact CE1-CD2 3.78Å; F200-F332 HydrophobicContact CE1-CD2 3.78Å; F200-F332 AromaticContact CE1-CE2 3.82Å; F200-F332 HydrophobicContact CE1-CE2 3.82Å; F200-F332 HydrophobicContact CE2-CD2 4.31Å; F200-F332 HydrophobicContact CZ-CB 4.34Å; F200-F332 AromaticContact CZ-CD2 3.36Å; F200-F332 HydrophobicContact CZ-CD2 3.36Å; F200-F332 AromaticContact CZ-CE2 3.91Å; F200-F332 HydrophobicContact CZ-CE2 3.91Å; F200-F332 HydrophobicContact CZ-CG 4.14Å; F200-F332 WeakPolarHBondContact CZ-O 3.49Å; A205-F332 HydrophobicContact CB-CD2 4.16Å; A205-F332 HydrophobicContact CB-CE2 3.59Å; I208-F332 HydrophobicContact CD1-CB 3.68Å; I208-F332 HydrophobicContact CD1-CG 4.15Å; E328-F332 PolarHBondContact O-N 3Å; A329-F332 WeakPolarHBondContact O-CB 3.31Å; A329-F332 PolarHBondContact O-N 2.87Å; A329-F332 VanDerWaalsContact O-N 3.17Å; P330-F332 VanDerWaalsContact C-N 3.35Å; F332-V335 PolarHBondContact O-N 2.9Å; F332-T336 WeakPolarHBondContact O-CB 3.47Å; F332-T336 PolarHBondContact O-N 2.66Å; F332-T336 PolarHBondContact O-OG1 3.44Å
333F86.8Confident85.1Confident107 Ų10768.5 Ų68.547%0.46932%0.322SS..Hα-helixtrans-66.9-38.3179.9-71.8-60000112.5A329 P330 V335 T336 F337A329-F333 HydrophobicContact CB-CD2 4.37Å; A329-F333 HydrophobicContact CB-CE2 4.13Å; A329-F333 WeakPolarHBondContact O-CD2 3.21Å; A329-F333 PolarHBondContact O-N 2.8Å; P330-F333 PolarHBondContact O-N 3.49Å; F333-V335 PolarHBondContact O-N 3.39Å; F333-T336 PolarHBondContact O-N 2.98Å; F333-F337 HydrophobicContact CB-CD2 4.23Å; F333-F337 HydrophobicContact CB-CE2 4.32Å; F333-F337 HydrophobicContact CD1-CD2 4.49Å; F333-F337 AromaticContact CD1-CE2 3.8Å; F333-F337 HydrophobicContact CD1-CE2 3.8Å; F333-F337 HydrophobicContact CG-CE2 4.47Å; F333-F337 WeakPolarHBondContact O-CB 3.07Å; F333-F337 WeakPolarHBondContact O-CD2 3.09Å; F333-F337 PolarHBondContact O-N 3.31Å
334C83.7Confident84.2Confident7 Ų772.3 Ų72.35%0.04735%0.345CS..Hα-helixtrans-60.6-44.3177.9-175.40000112.3P330 V331 F337 E338 V349 L353P330-C334 WeakPolarHBondContact O-CB 3.12Å; P330-C334 PolarHBondContact O-N 3.2Å; V331-C334 PolarHBondContact O-N 2.87Å; C334-F337 CarbonylContact O-C 3.58Å; C334-E338 PolarHBondContact O-N 2.85Å; C334-E338 VanDerWaalsContact O-N 3.13Å; C334-V349 HydrophobicContact CB-CG1 4.24Å; C334-V349 WeakPolarHBondContact SG-CG1 3.21Å; C334-L353 HydrophobicContact CB-CD1 3.42Å; C334-L353 VanDerWaalsContact CB-CD1 3.42Å
335V82Confident83.5Confident35 Ų3577.5 Ų77.521%0.21237%0.37CS..Hα-helixtrans-71.2-40.5178.31770000111F200 V331 F332 F333 F337 E338F200-V335 HydrophobicContact CD1-CG1 4.01Å; F200-V335 HydrophobicContact CD2-CB 3.92Å; F200-V335 HydrophobicContact CD2-CG1 3.59Å; F200-V335 HydrophobicContact CD2-CG2 4.09Å; F200-V335 HydrophobicContact CE1-CB 4.26Å; F200-V335 HydrophobicContact CE1-CG1 3.98Å; F200-V335 HydrophobicContact CE2-CB 3.38Å; F200-V335 HydrophobicContact CE2-CG1 3.56Å; F200-V335 HydrophobicContact CE2-CG2 3.7Å; F200-V335 HydrophobicContact CG-CG1 3.81Å; F200-V335 HydrophobicContact CZ-CB 3.57Å; F200-V335 HydrophobicContact CZ-CG1 3.74Å; F200-V335 HydrophobicContact CZ-CG2 4.37Å; V331-V335 WeakPolarHBondContact O-CG2 3.23Å; V331-V335 PolarHBondContact O-N 3.29Å; F332-V335 PolarHBondContact O-N 2.9Å; F333-V335 PolarHBondContact O-N 3.39Å; V335-F337 PolarHBondContact O-N 3.48Å; V335-E338 VanDerWaalsContact O-CB 3.27Å; V335-E338 WeakPolarHBondContact O-CB 3.46Å; V335-E338 PolarHBondContact O-N 3.32Å
336T83.1Confident82.8Confident63 Ų6377.4 Ų77.439%0.38737%0.368SS..Hα-helixtrans-61.9-35.4178.1-560000111.9F332 F333F332-T336 WeakPolarHBondContact O-CB 3.47Å; F332-T336 PolarHBondContact O-N 2.66Å; F332-T336 PolarHBondContact O-OG1 3.44Å; F333-T336 PolarHBondContact O-N 2.98Å
337F83.5Confident81.8Confident86 Ų8675.6 Ų75.638%0.37736%0.359SS..THydrogen-bonded Turntrans-99.220.1178.5-61.4-57.4000113.6F333 C334 V335 Y339 K340 F341F333-F337 HydrophobicContact CB-CD2 4.23Å; F333-F337 HydrophobicContact CB-CE2 4.32Å; F333-F337 HydrophobicContact CD1-CD2 4.49Å; F333-F337 AromaticContact CD1-CE2 3.8Å; F333-F337 HydrophobicContact CD1-CE2 3.8Å; F333-F337 HydrophobicContact CG-CE2 4.47Å; F333-F337 WeakPolarHBondContact O-CB 3.07Å; F333-F337 WeakPolarHBondContact O-CD2 3.09Å; F333-F337 PolarHBondContact O-N 3.31Å; C334-F337 CarbonylContact O-C 3.58Å; V335-F337 PolarHBondContact O-N 3.48Å; F337-Y339 PolarHBondContact O-N 3.15Å; F337-Y339 VanDerWaalsContact O-N 3.11Å; F337-K340 HydrophobicContact CD1-CD 4.18Å; F337-K340 WeakPolarHBondContact O-CB 3.49Å; F337-K340 PolarHBondContact O-N 3.45Å; F337-F341 HydrophobicContact CB-CE2 4.01Å; F337-F341 VanDerWaalsContact O-CD2 3.29Å; F337-F341 WeakPolarHBondContact O-CD2 3.22Å
338E80.3Confident81Confident50 Ų5078.7 Ų78.723%0.23438%0.377CS..G310 helixtrans-48.7-42.7-178.9177.8175.5173.500112.1K196 C334 V335 K340 F341 F346K196-E338 VanDerWaalsContact NZ-CD 3.31Å; K196-E338 IonicContact NZ-OE1 3.74Å; K196-E338 PolarHBondContact NZ-OE1 2.95Å; K196-E338 IonicContact NZ-OE2 3.05Å; K196-E338 PolarHBondContact NZ-OE2 3.33Å; C334-E338 PolarHBondContact O-N 2.85Å; C334-E338 VanDerWaalsContact O-N 3.13Å; V335-E338 VanDerWaalsContact O-CB 3.27Å; V335-E338 WeakPolarHBondContact O-CB 3.46Å; V335-E338 PolarHBondContact O-N 3.32Å; E338-K340 PolarHBondContact O-N 2.97Å; E338-K340 VanDerWaalsContact O-N 3.12Å; E338-F341 PolarHBondContact O-N 3.17Å; E338-F346 HydrophobicContact CB-CD2 4.42Å; E338-F346 HydrophobicContact CB-CE2 3.81Å; E338-F346 HydrophobicContact CB-CZ 4.31Å; E338-F346 HydrophobicContact CG-CD2 4.12Å; E338-F346 HydrophobicContact CG-CE1 4.38Å; E338-F346 HydrophobicContact CG-CE2 3.63Å; E338-F346 HydrophobicContact CG-CZ 3.77Å
339Y80.3Confident80.5Confident168 Ų16881 Ų8166%0.65939%0.391SS*.G310 helixtrans-65.5-13.9180-55.2-89.3000115.5R193 F337R193-Y339 PolarHBondContact NH1-OH 3.32Å; R193-Y339 PolarHBondContact NH2-OH 2.83Å; F337-Y339 PolarHBondContact O-N 3.15Å; F337-Y339 VanDerWaalsContact O-N 3.11Å
340K84.1Confident80Confident167 Ų16782.2 Ų82.273%0.72640%0.397SS*.G310 helixtrans-93.6-13.8179.8-66.3-169.2175.4-1750113F337 E338F337-K340 HydrophobicContact CD1-CD 4.18Å; F337-K340 WeakPolarHBondContact O-CB 3.49Å; F337-K340 PolarHBondContact O-N 3.45Å; E338-K340 PolarHBondContact O-N 2.97Å; E338-K340 VanDerWaalsContact O-N 3.12Å
341F76.8Confident79.5Confident80 Ų8080.7 Ų80.735%0.35139%0.386SS..SBendtrans-97.7141.6-178.8-68.3-76.4000110.8F337 E338 F346F337-F341 HydrophobicContact CB-CE2 4.01Å; F337-F341 VanDerWaalsContact O-CD2 3.29Å; F337-F341 WeakPolarHBondContact O-CD2 3.22Å; E338-F341 PolarHBondContact O-N 3.17Å; F341-F346 HydrophobicContact CB-CB 4.09Å; F341-F346 HydrophobicContact CB-CD2 4.45Å
342D80.3Confident79.3Confident105 Ų10581.9 Ų81.956%0.56140%0.397SS*.  trans-67148.6165.5-170.312.5000109.9V344 Q345 F346D342-V344 VanDerWaalsContact C-N 3.31Å; D342-V344 PolarHBondContact O-N 3.36Å; D342-Q345 PolarHBondContact O-N 3.03Å; D342-Q345 VanDerWaalsContact O-N 3.07Å; D342-F346 PolarHBondContact O-N 3.35Å
343R75.1Confident79.1Confident213 Ų21380.3 Ų80.380%0.80439%0.391SS*.Hα-helixtrans-56.1-43.4-171-72.5-168.4-179-159.22.1112.5Q345 F346 D347R343-Q345 PolarHBondContact O-N 3.48Å; R343-F346 PolarHBondContact O-N 3.17Å; R343-D347 PolarHBondContact O-N 3.37Å
344V73Confident78.9Confident100 Ų10079.4 Ų79.461%0.60639%0.387SS*.Hα-helixtrans-63.8-41.7-180-178.40000111.5D342 L348D342-V344 VanDerWaalsContact C-N 3.31Å; D342-V344 PolarHBondContact O-N 3.36Å; V344-L348 PolarHBondContact O-N 3.27Å
345Q76.5Confident78.9Confident110 Ų11079.7 Ų79.751%0.51439%0.389SS..Hα-helixtrans-68.8-40177.3-64.7-176.50.500111.1D342 R343 D347 L348 V349D342-Q345 PolarHBondContact O-N 3.03Å; D342-Q345 VanDerWaalsContact O-N 3.07Å; R343-Q345 PolarHBondContact O-N 3.48Å; Q345-D347 VanDerWaalsContact C-N 3.33Å; Q345-D347 PolarHBondContact O-N 2.91Å; Q345-L348 PolarHBondContact O-N 2.97Å; Q345-V349 WeakPolarHBondContact O-CB 2.92Å; Q345-V349 VanDerWaalsContact O-CG2 3.23Å; Q345-V349 WeakPolarHBondContact O-CG2 3.43Å; Q345-V349 PolarHBondContact O-N 3.31Å
346F74.7Confident79.3Confident35 Ų3580.3 Ų80.315%0.15439%0.391CS..Hα-helixtrans-60.7-41.5177.1-177-99.3000112E338 F341 D342 R343 V349 T350E338-F346 HydrophobicContact CB-CD2 4.42Å; E338-F346 HydrophobicContact CB-CE2 3.81Å; E338-F346 HydrophobicContact CB-CZ 4.31Å; E338-F346 HydrophobicContact CG-CD2 4.12Å; E338-F346 HydrophobicContact CG-CE1 4.38Å; E338-F346 HydrophobicContact CG-CE2 3.63Å; E338-F346 HydrophobicContact CG-CZ 3.77Å; F341-F346 HydrophobicContact CB-CB 4.09Å; F341-F346 HydrophobicContact CB-CD2 4.45Å; D342-F346 PolarHBondContact O-N 3.35Å; R343-F346 PolarHBondContact O-N 3.17Å; F346-V349 PolarHBondContact O-N 2.72Å; F346-T350 WeakPolarHBondContact O-CB 3.43Å; F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 2.98Å
347D71.8Confident79.5Confident76 Ų7678 Ų7841%0.40638%0.376SS..Hα-helixtrans-66.1-43.1176.9-74.2-21.8000112R343 Q345 T350 N351R343-D347 PolarHBondContact O-N 3.37Å; Q345-D347 VanDerWaalsContact C-N 3.33Å; Q345-D347 PolarHBondContact O-N 2.91Å; D347-T350 PolarHBondContact O-N 3.37Å; D347-N351 WeakPolarHBondContact O-CB 3.32Å; D347-N351 PolarHBondContact O-N 3.2Å; D347-N351 PolarHBondContact O-ND2 3.47Å
348L73.7Confident79.8Confident110 Ų11073.9 Ų73.958%0.57636%0.359SS*.Hα-helixtrans-60.8-47.4175.7-173.474000111.3I27 V344 Q345 N351 A352I27-L348 HydrophobicContact CD1-CD1 3.89Å; V344-L348 PolarHBondContact O-N 3.27Å; Q345-L348 PolarHBondContact O-N 2.97Å; L348-N351 PolarHBondContact O-N 3.26Å; L348-A352 PolarHBondContact O-N 3.46Å
349V77.9Confident80.3Confident49 Ų4974.5 Ų74.530%0.29736%0.363SS..Hα-helixtrans-64.9-45.8179176.20000110.3C334 Q345 F346 N351 A352 L353C334-V349 HydrophobicContact CB-CG1 4.24Å; C334-V349 WeakPolarHBondContact SG-CG1 3.21Å; Q345-V349 WeakPolarHBondContact O-CB 2.92Å; Q345-V349 VanDerWaalsContact O-CG2 3.23Å; Q345-V349 WeakPolarHBondContact O-CG2 3.43Å; Q345-V349 PolarHBondContact O-N 3.31Å; F346-V349 PolarHBondContact O-N 2.72Å; V349-N351 VanDerWaalsContact C-N 3.26Å; V349-N351 PolarHBondContact O-N 2.87Å; V349-A352 CarbonylContact O-C 3.53Å; V349-A352 WeakPolarHBondContact O-CB 3.12Å; V349-A352 PolarHBondContact O-N 3.43Å; V349-A352 VanDerWaalsContact O-N 3.09Å; V349-L353 HydrophobicContact CG1-CD1 3.99Å; V349-L353 HydrophobicContact CG1-CG 4.22Å; V349-L353 WeakPolarHBondContact O-CB 3.4Å; V349-L353 WeakPolarHBondContact O-CG 3.38Å; V349-L353 PolarHBondContact O-N 3.24Å
350T77.1Confident80.8Confident43 Ų4366.5 Ų66.526%0.26433%0.332SS..Hα-helixtrans-58.9-38.9177-61.70000111.6F346 D347 L353 K354F346-T350 WeakPolarHBondContact O-CB 3.43Å; F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 2.98Å; D347-T350 PolarHBondContact O-N 3.37Å; T350-L353 WeakPolarHBondContact O-CB 3.48Å; T350-L353 PolarHBondContact O-N 3.04Å; T350-K354 WeakPolarHBondContact O-CG 3.39Å; T350-K354 PolarHBondContact O-N 3.4Å; T350-K354 VanDerWaalsContact O-N 3.11Å
351N77.6Confident81.1Confident21 Ų2158.6 Ų58.611%0.11230%0.297CS..Hα-helixtrans-69.5-40.1174.9-71.7-33.8000112.3I27 D347 L348 V349 L353 K354 S355I27-N351 HydrophobicContact CD1-CB 3.81Å; I27-N351 HydrophobicContact CG2-CB 3.98Å; I27-N351 WeakPolarHBondContact CG2-O 3.43Å; D347-N351 WeakPolarHBondContact O-CB 3.32Å; D347-N351 PolarHBondContact O-N 3.2Å; D347-N351 PolarHBondContact O-ND2 3.47Å; L348-N351 PolarHBondContact O-N 3.26Å; V349-N351 VanDerWaalsContact C-N 3.26Å; V349-N351 PolarHBondContact O-N 2.87Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 PolarHBondContact O-N 3.25Å; N351-K354 WeakPolarHBondContact O-CB 3.49Å; N351-K354 PolarHBondContact O-N 3.34Å; N351-K354 PolarHBondContact OD1-NZ 3.25Å; N351-S355 PolarHBondContact O-N 2.91Å
352A80Confident81.8Confident46 Ų4655.4 Ų55.438%0.3829%0.285SS..Hα-helixtrans-62.6-36.4172.700000112.2L348 V349 K354 S355 L356L348-A352 PolarHBondContact O-N 3.46Å; V349-A352 CarbonylContact O-C 3.53Å; V349-A352 WeakPolarHBondContact O-CB 3.12Å; V349-A352 PolarHBondContact O-N 3.43Å; V349-A352 VanDerWaalsContact O-N 3.09Å; A352-K354 VanDerWaalsContact C-N 3.34Å; A352-K354 PolarHBondContact O-N 3.42Å; A352-S355 VanDerWaalsContact O-CB 3.32Å; A352-S355 WeakPolarHBondContact O-CB 3.37Å; A352-S355 PolarHBondContact O-N 3.32Å; A352-S355 VanDerWaalsContact O-N 3.14Å; A352-L356 PolarHBondContact O-N 2.76Å; A352-L356 VanDerWaalsContact O-N 3.14Å
353L82.9Confident82.3Confident15 Ų1551.2 Ų51.28%0.07927%0.265CS..Hα-helixtrans-64.6-35.3174.9-70.9171.2000112.4P330 V331 C334 V349 T350 N351 S355 L356 V357P330-L353 HydrophobicContact CB-CD2 3.77Å; V331-L353 HydrophobicContact CB-CD2 4.33Å; V331-L353 HydrophobicContact CG2-CB 4.21Å; V331-L353 HydrophobicContact CG2-CD2 3.82Å; V331-L353 HydrophobicContact CG2-CG 4.43Å; C334-L353 HydrophobicContact CB-CD1 3.42Å; C334-L353 VanDerWaalsContact CB-CD1 3.42Å; V349-L353 HydrophobicContact CG1-CD1 3.99Å; V349-L353 HydrophobicContact CG1-CG 4.22Å; V349-L353 WeakPolarHBondContact O-CB 3.4Å; V349-L353 WeakPolarHBondContact O-CG 3.38Å; V349-L353 PolarHBondContact O-N 3.24Å; T350-L353 WeakPolarHBondContact O-CB 3.48Å; T350-L353 PolarHBondContact O-N 3.04Å; N351-L353 VanDerWaalsContact C-N 3.29Å; N351-L353 PolarHBondContact O-N 3.25Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.11Å; L353-L356 HydrophobicContact CD2-CD1 3.77Å; L353-L356 WeakPolarHBondContact O-CB 3.12Å; L353-L356 PolarHBondContact O-N 3.22Å; L353-L356 VanDerWaalsContact O-N 3.17Å; L353-V357 PolarHBondContact O-N 3.01Å
354K82.2Confident83Confident89 Ų8941.1 Ų41.139%0.38723%0.227SC..Hα-helixtrans-58.9-40.3171.3-67.1170.2-173164.60111.4L31 T350 N351 A352 V357 V358L31-K354 HydrophobicContact CD1-CB 4.37Å; T350-K354 WeakPolarHBondContact O-CG 3.39Å; T350-K354 PolarHBondContact O-N 3.4Å; T350-K354 VanDerWaalsContact O-N 3.11Å; N351-K354 WeakPolarHBondContact O-CB 3.49Å; N351-K354 PolarHBondContact O-N 3.34Å; N351-K354 PolarHBondContact OD1-NZ 3.25Å; A352-K354 VanDerWaalsContact C-N 3.34Å; A352-K354 PolarHBondContact O-N 3.42Å; K354-V357 PolarHBondContact O-N 3.49Å; K354-V358 PolarHBondContact O-N 2.99Å
355S85Confident83.8Confident12 Ų1236.5 Ų36.58%0.08420%0.199CC..Hα-helixtrans-65-37.9175.7-59.80000112.6N351 A352 L353 V357 V358 L359N351-S355 PolarHBondContact O-N 2.91Å; A352-S355 VanDerWaalsContact O-CB 3.32Å; A352-S355 WeakPolarHBondContact O-CB 3.37Å; A352-S355 PolarHBondContact O-N 3.32Å; A352-S355 VanDerWaalsContact O-N 3.14Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.11Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 3.48Å; S355-V358 PolarHBondContact O-N 3.4Å; S355-L359 WeakPolarHBondContact O-CG 3.11Å; S355-L359 PolarHBondContact O-N 2.86Å
356L89.3Confident84.5Confident49 Ų4935.6 Ų35.626%0.25720%0.197SC..Hα-helixtrans-60.2-37.6175.1-81.1158.8000112.1F327 A352 L353 L359 D360F327-L356 HydrophobicContact CD1-CB 4.11Å; F327-L356 HydrophobicContact CD1-CD2 3.45Å; F327-L356 VanDerWaalsContact CD1-CD2 3.45Å; F327-L356 HydrophobicContact CD1-CG 4.41Å; F327-L356 VanDerWaalsContact CD1-O 3.28Å; F327-L356 WeakPolarHBondContact CD1-O 3.39Å; F327-L356 HydrophobicContact CE1-CD2 3.66Å; A352-L356 PolarHBondContact O-N 2.76Å; A352-L356 VanDerWaalsContact O-N 3.14Å; L353-L356 HydrophobicContact CD2-CD1 3.77Å; L353-L356 WeakPolarHBondContact O-CB 3.12Å; L353-L356 PolarHBondContact O-N 3.22Å; L353-L356 VanDerWaalsContact O-N 3.17Å; L356-L359 WeakPolarHBondContact O-CB 3.47Å; L356-L359 PolarHBondContact O-N 3.01Å; L356-D360 PolarHBondContact O-N 3.26Å
357V87.5Confident85.2Confident13 Ų1334.3 Ų34.38%0.07919%0.191CC..Hα-helixtrans-66.4-39.3176.7174.50000112.5L74 L113 L353 K354 S355 L359 D360 S361L74-V357 HydrophobicContact CD2-CG1 3.64Å; L113-V357 HydrophobicContact CD2-CG1 3.59Å; L113-V357 HydrophobicContact CD2-CG2 4.47Å; L353-V357 PolarHBondContact O-N 3.01Å; K354-V357 PolarHBondContact O-N 3.49Å; S355-V357 VanDerWaalsContact C-N 3.28Å; S355-V357 PolarHBondContact O-N 3.48Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-D360 PolarHBondContact O-N 3.33Å; V357-S361 PolarHBondContact O-N 2.82Å; V357-S361 PolarHBondContact O-OG 3Å
358V89.4Confident85.9Confident0 Ų030.8 Ų30.80%017%0.172CC..Hα-helixtrans-65.2-40.9174.3-179.40000110.2L31 L34 A38 I78 K354 S355 D360 S361 C362L31-V358 HydrophobicContact CD2-CG2 3.83Å; L34-V358 HydrophobicContact CB-CG1 4.38Å; L34-V358 HydrophobicContact CD2-CB 4.06Å; L34-V358 HydrophobicContact CD2-CG1 3.67Å; L34-V358 HydrophobicContact CG-CG1 3.68Å; A38-V358 HydrophobicContact CB-CG1 3.73Å; I78-V358 HydrophobicContact CD1-CG2 3.86Å; I78-V358 HydrophobicContact CG2-CG2 4.11Å; K354-V358 PolarHBondContact O-N 2.99Å; S355-V358 PolarHBondContact O-N 3.4Å; V358-D360 VanDerWaalsContact C-N 3.34Å; V358-D360 PolarHBondContact O-N 3.45Å; V358-S361 WeakPolarHBondContact O-CB 3.27Å; V358-S361 PolarHBondContact O-N 3.28Å; V358-C362 PolarHBondContact O-N 3.28Å; V358-C362 VanDerWaalsContact O-N 3.16Å
359L90.3Very high86.6Confident64 Ų6428.8 Ų28.834%0.33516%0.162SC..Hα-helixtrans-63-37.8175.5-72.2172.2000112.7L34 F327 S355 L356 V357 S361 C362 A363L34-L359 HydrophobicContact CD1-CD2 4.44Å; L34-L359 HydrophobicContact CD2-CD2 3.75Å; L34-L359 HydrophobicContact CD2-CG 3.94Å; F327-L359 HydrophobicContact CD1-CB 4.33Å; F327-L359 HydrophobicContact CE1-CB 3.67Å; F327-L359 HydrophobicContact CE1-CD1 4.42Å; F327-L359 HydrophobicContact CZ-CB 4.23Å; S355-L359 WeakPolarHBondContact O-CG 3.11Å; S355-L359 PolarHBondContact O-N 2.86Å; L356-L359 WeakPolarHBondContact O-CB 3.47Å; L356-L359 PolarHBondContact O-N 3.01Å; V357-L359 VanDerWaalsContact C-N 3.32Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 3.44Å; L359-C362 WeakPolarHBondContact O-CB 3.26Å; L359-C362 PolarHBondContact O-N 2.99Å; L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.31Å
360D91Very high87Confident0 Ų031.3 Ų31.30%017%0.173CC..Hα-helixtrans-60.9-42.4174.9-171.523.1000111.5R116 V323 F327 L356 V357 V358 C362 A363 N364R116-D360 IonicContact CZ-OD2 2.78Å; R116-D360 IonicContact NH1-OD2 2.98Å; R116-D360 PolarHBondContact NH1-OD2 2.97Å; R116-D360 IonicContact NH2-OD2 3.6Å; V323-D360 WeakPolarHBondContact CG1-OD1 3.47Å; F327-D360 HydrophobicContact CB-CB 3.75Å; F327-D360 HydrophobicContact CD1-CB 4.35Å; F327-D360 HydrophobicContact CD2-CB 4.07Å; F327-D360 HydrophobicContact CG-CB 3.81Å; L356-D360 PolarHBondContact O-N 3.26Å; V357-D360 PolarHBondContact O-N 3.33Å; V358-D360 VanDerWaalsContact C-N 3.34Å; V358-D360 PolarHBondContact O-N 3.45Å; D360-C362 VanDerWaalsContact C-N 3.33Å; D360-C362 PolarHBondContact O-N 2.93Å; D360-A363 WeakPolarHBondContact O-CB 3.4Å; D360-A363 PolarHBondContact O-N 3.29Å; D360-A363 VanDerWaalsContact O-N 3.12Å; D360-N364 PolarHBondContact O-N 3.5Å
361S90.6Very high87.4Confident0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-59.9-42.7174.8-56.50000111.9N75 V357 V358 L359 N364 V365N75-S361 WeakPolarHBondContact ND2-CB 3.4Å; N75-S361 PolarHBondContact ND2-OG 3.21Å; V357-S361 PolarHBondContact O-N 2.82Å; V357-S361 PolarHBondContact O-OG 3Å; V358-S361 WeakPolarHBondContact O-CB 3.27Å; V358-S361 PolarHBondContact O-N 3.28Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 3.44Å; S361-N364 PolarHBondContact O-N 2.98Å; S361-V365 PolarHBondContact O-N 2.97Å
362C91.2Very high87.7Confident14 Ų1430.8 Ų30.810%0.09517%0.169CC..Hα-helixtrans-62.9-43.8173.4-71.40000111.9A38 V358 L359 D360 N364 V365 I366A38-C362 WeakPolarHBondContact CB-SG 3.34Å; V358-C362 PolarHBondContact O-N 3.28Å; V358-C362 VanDerWaalsContact O-N 3.16Å; L359-C362 WeakPolarHBondContact O-CB 3.26Å; L359-C362 PolarHBondContact O-N 2.99Å; D360-C362 VanDerWaalsContact C-N 3.33Å; D360-C362 PolarHBondContact O-N 2.93Å; C362-N364 VanDerWaalsContact C-N 3.34Å; C362-N364 PolarHBondContact O-N 3.14Å; C362-V365 PolarHBondContact O-N 3.28Å; C362-I366 WeakPolarHBondContact O-CG1 3.46Å; C362-I366 PolarHBondContact O-N 3.32Å
363A92.1Very high87.8Confident17 Ų1735.7 Ų35.714%0.1418%0.178CC..Hα-helixtrans-59.7-45.1179.300000110.6V323 F327 L359 D360 V365 I366 I367V323-A363 HydrophobicContact CG1-CB 3.63Å; F327-A363 HydrophobicContact CE2-CB 4.16Å; L359-A363 WeakPolarHBondContact O-CB 3.28Å; L359-A363 PolarHBondContact O-N 3.31Å; D360-A363 WeakPolarHBondContact O-CB 3.4Å; D360-A363 PolarHBondContact O-N 3.29Å; D360-A363 VanDerWaalsContact O-N 3.12Å; A363-V365 VanDerWaalsContact C-N 3.3Å; A363-V365 PolarHBondContact O-N 3.3Å; A363-I366 WeakPolarHBondContact O-CB 3.43Å; A363-I366 PolarHBondContact O-N 3.01Å; A363-I367 WeakPolarHBondContact O-CG1 3.34Å; A363-I367 PolarHBondContact O-N 2.98Å
364N89.8Confident87.6Confident0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-54.7-43.4177.3-72.7-23.5000112.7E71 D360 S361 C362 I367 Y368E71-N364 VanDerWaalsContact OE1-CB 3.28Å; E71-N364 WeakPolarHBondContact OE1-CB 3.48Å; E71-N364 PolarHBondContact OE1-ND2 2.83Å; D360-N364 PolarHBondContact O-N 3.5Å; S361-N364 PolarHBondContact O-N 2.98Å; C362-N364 VanDerWaalsContact C-N 3.34Å; C362-N364 PolarHBondContact O-N 3.14Å; N364-I367 WeakPolarHBondContact O-CB 3.45Å; N364-I367 PolarHBondContact O-N 2.8Å; N364-Y368 WeakPolarHBondContact O-CD1 2.99Å; N364-Y368 WeakPolarHBondContact O-CD2 3.16Å; N364-Y368 PolarHBondContact O-N 3.1Å
365V88.6Confident87.6Confident3 Ų335.4 Ų35.42%0.01817%0.173CC..Hα-helixtrans-70.4-38.3177-175.80000112.4I41 S361 C362 A363 I367 Y368 L369 F375I41-V365 HydrophobicContact CG2-CB 3.49Å; I41-V365 VanDerWaalsContact CG2-CB 3.49Å; I41-V365 HydrophobicContact CG2-CG1 3.32Å; I41-V365 HydrophobicContact CG2-CG2 3.85Å; S361-V365 PolarHBondContact O-N 2.97Å; C362-V365 PolarHBondContact O-N 3.28Å; A363-V365 VanDerWaalsContact C-N 3.3Å; A363-V365 PolarHBondContact O-N 3.3Å; V365-I367 VanDerWaalsContact C-N 3.27Å; V365-I367 PolarHBondContact O-N 2.87Å; V365-Y368 HydrophobicContact CG2-CD2 4.48Å; V365-Y368 WeakPolarHBondContact O-CB 3.28Å; V365-Y368 PolarHBondContact O-N 2.81Å; V365-Y368 VanDerWaalsContact O-N 3.13Å; V365-L369 PolarHBondContact O-N 3.5Å; V365-F375 HydrophobicContact CG1-CZ 4.26Å
366I90.8Very high87.6Confident91 Ų9140.1 Ų40.147%0.46719%0.189SC..Hα-helixtrans-59.7-41.4173.3-67.9167.1000110.3C362 A363 Y368 L369 I370C362-I366 WeakPolarHBondContact O-CG1 3.46Å; C362-I366 PolarHBondContact O-N 3.32Å; A363-I366 WeakPolarHBondContact O-CB 3.43Å; A363-I366 PolarHBondContact O-N 3.01Å; I366-Y368 VanDerWaalsContact C-N 3.32Å; I366-Y368 PolarHBondContact O-N 3.3Å; I366-L369 WeakPolarHBondContact O-CB 3.21Å; I366-L369 PolarHBondContact O-N 3.44Å; I366-I370 HydrophobicContact CG2-CD1 3.68Å; I366-I370 HydrophobicContact CG2-CG1 4.34Å; I366-I370 WeakPolarHBondContact O-CG1 3.25Å; I366-I370 PolarHBondContact O-N 3.44Å
367I89.9Confident87.5Confident8 Ų842.1 Ų42.14%0.04120%0.197CC..Hα-helixtrans-61.4-42.9175.5-62.4164.9000110.3M316 L319 V323 A363 N364 V365 L369 I370 M371M316-I367 HydrophobicContact CG-CG2 4.31Å; L319-I367 HydrophobicContact CD2-CB 4.13Å; L319-I367 HydrophobicContact CD2-CD1 3.43Å; L319-I367 VanDerWaalsContact CD2-CD1 3.43Å; L319-I367 HydrophobicContact CD2-CG1 3.3Å; L319-I367 HydrophobicContact CD2-CG2 3.77Å; V323-I367 HydrophobicContact CB-CD1 3.97Å; V323-I367 HydrophobicContact CG1-CD1 4.08Å; V323-I367 HydrophobicContact CG2-CD1 3.86Å; A363-I367 WeakPolarHBondContact O-CG1 3.34Å; A363-I367 PolarHBondContact O-N 2.98Å; N364-I367 WeakPolarHBondContact O-CB 3.45Å; N364-I367 PolarHBondContact O-N 2.8Å; V365-I367 VanDerWaalsContact C-N 3.27Å; V365-I367 PolarHBondContact O-N 2.87Å; I367-L369 VanDerWaalsContact C-N 3.33Å; I367-L369 PolarHBondContact O-N 3.27Å; I367-I370 PolarHBondContact O-N 3.45Å; I367-M371 HydrophobicContact CG2-CG 4.14Å; I367-M371 VanDerWaalsContact O-CB 3.25Å; I367-M371 WeakPolarHBondContact O-CB 3.45Å; I367-M371 PolarHBondContact O-N 3.48Å
368Y87.2Confident87.3Confident3 Ų342.3 Ų42.31%0.01220%0.197CC..Hα-helixtrans-60.4-43.5176.1-57.9-21.1000111.6L64 L67 T68 M316 L320 N364 V365 I366 S372 F375L64-Y368 HydrophobicContact CD2-CE1 3.73Å; L67-Y368 VanDerWaalsContact CD2-OH 3.3Å; L67-Y368 WeakPolarHBondContact CD2-OH 3.33Å; T68-Y368 HydrophobicContact CG2-CE2 3.71Å; M316-Y368 HydrophobicContact CE-CD1 3.23Å; M316-Y368 HydrophobicContact CE-CE1 3.64Å; M316-Y368 HydrophobicContact CE-CG 4.22Å; L320-Y368 HydrophobicContact CD1-CE1 3.69Å; N364-Y368 WeakPolarHBondContact O-CD1 2.99Å; N364-Y368 WeakPolarHBondContact O-CD2 3.16Å; N364-Y368 PolarHBondContact O-N 3.1Å; V365-Y368 HydrophobicContact CG2-CD2 4.48Å; V365-Y368 WeakPolarHBondContact O-CB 3.28Å; V365-Y368 PolarHBondContact O-N 2.81Å; V365-Y368 VanDerWaalsContact O-N 3.13Å; I366-Y368 VanDerWaalsContact C-N 3.32Å; I366-Y368 PolarHBondContact O-N 3.3Å; Y368-S372 WeakPolarHBondContact O-CA 3.48Å; Y368-S372 VanDerWaalsContact O-CB 3.22Å; Y368-S372 WeakPolarHBondContact O-CB 2.85Å; Y368-S372 PolarHBondContact O-N 2.88Å; Y368-F375 HydrophobicContact CD2-CE2 4.49Å
369L87.7Confident87.1Confident67 Ų6743.7 Ų43.735%0.35121%0.207SC..Hα-helixtrans-61.9-48.2175.4-73.9166.2000112V365 I366 I367 F375 R376V365-L369 PolarHBondContact O-N 3.5Å; I366-L369 WeakPolarHBondContact O-CB 3.21Å; I366-L369 PolarHBondContact O-N 3.44Å; I367-L369 VanDerWaalsContact C-N 3.33Å; I367-L369 PolarHBondContact O-N 3.27Å; L369-F375 HydrophobicContact CD2-CD1 3.7Å; L369-F375 HydrophobicContact CD2-CE1 3.5Å; L369-F375 VanDerWaalsContact CD2-CE1 3.5Å; L369-F375 HydrophobicContact CG-CD1 4.01Å; L369-F375 HydrophobicContact CG-CE1 3.65Å; L369-R376 WeakPolarHBondContact O-CD 3.38Å; L369-R376 WeakPolarHBondContact O-CG 3.41Å
370I87.9Confident87Confident103 Ų10343.9 Ų43.953%0.52821%0.21SC..Hα-helixtrans-70.3-47.5-176.3-66171.2000110.4I366 I367 R376I366-I370 HydrophobicContact CG2-CD1 3.68Å; I366-I370 HydrophobicContact CG2-CG1 4.34Å; I366-I370 WeakPolarHBondContact O-CG1 3.25Å; I366-I370 PolarHBondContact O-N 3.44Å; I367-I370 PolarHBondContact O-N 3.45Å; I370-R376 PolarHBondContact O-NH1 2.88Å
371M84.8Confident86.8Confident34 Ų3449.7 Ų49.717%0.16723%0.232CC..Hα-helixtrans-90.7-25.9-166.4-64.8-62.2-78.500113.5R312 R315 M316 I367R312-M371 PolarHBondContact NE-O 3.23Å; R312-M371 PolarHBondContact NH2-O 2.97Å; R315-M371 HydrophobicContact CB-CE 3.51Å; M316-M371 HydrophobicContact CB-CB 3.83Å; M316-M371 HydrophobicContact CB-CE 4.43Å; M316-M371 HydrophobicContact CB-CG 4.4Å; M316-M371 HydrophobicContact CG-CB 3.82Å; I367-M371 HydrophobicContact CG2-CG 4.14Å; I367-M371 VanDerWaalsContact O-CB 3.25Å; I367-M371 WeakPolarHBondContact O-CB 3.45Å; I367-M371 PolarHBondContact O-N 3.48Å
372S83.3Confident86.6Confident18 Ų1851.3 Ų51.313%0.12624%0.241CC..  trans-103.2103.6-179.5-1780000112.1Y368 R374 F375 R376Y368-S372 WeakPolarHBondContact O-CA 3.48Å; Y368-S372 VanDerWaalsContact O-CB 3.22Å; Y368-S372 WeakPolarHBondContact O-CB 2.85Å; Y368-S372 PolarHBondContact O-N 2.88Å; S372-R374 PolarHBondContact O-N 3.18Å; S372-F375 WeakPolarHBondContact O-CB 3.46Å; S372-F375 PolarHBondContact O-N 2.83Å; S372-F375 VanDerWaalsContact O-N 3.15Å; S372-F375 WeakPolarHBondContact OG-CB 3.38Å; S372-F375 PolarHBondContact OG-N 2.89Å; S372-R376 PolarHBondContact O-N 2.76Å
373R81.7Confident86.4Confident150 Ų15059.3 Ų59.357%0.56627%0.269SS*.Hα-helixtrans-57.5-34.6175.2178.6178.3-176.7179.34.1111.4R376 Q377R373-R376 PolarHBondContact O-N 3.06Å; R373-Q377 VanDerWaalsContact O-CG 3.29Å; R373-Q377 WeakPolarHBondContact O-CG 3.16Å; R373-Q377 PolarHBondContact O-N 2.91Å
374R78.7Confident86.3Confident89 Ų8965.9 Ų65.934%0.33629%0.29SS..Hα-helixtrans-69.6-45.2178.5-66.5-175.5-174.9161.42.4111.2R56 S372 R376 Q377 E378R56-R374 VanDerWaalsContact C-NH1 3.26Å; R56-R374 PolarHBondContact O-NH1 3.26Å; S372-R374 PolarHBondContact O-N 3.18Å; R374-R376 VanDerWaalsContact C-N 3.3Å; R374-R376 PolarHBondContact O-N 2.78Å; R374-Q377 PolarHBondContact O-N 3.39Å; R374-Q377 VanDerWaalsContact O-N 3.15Å; R374-E378 PolarHBondContact O-N 3.37Å
375F82.8Confident86.2Confident8 Ų872.8 Ų72.84%0.03532%0.318CS..Hα-helixtrans-55.5-49.1173.6-169.7-88.2000109.8V48 L49 V365 Y368 L369 S372 Q377 E378 S379V48-F375 HydrophobicContact CB-CD2 4.07Å; V48-F375 HydrophobicContact CB-CE2 3.72Å; V48-F375 HydrophobicContact CB-CZ 4.24Å; V48-F375 HydrophobicContact CG1-CD2 3.37Å; V48-F375 HydrophobicContact CG1-CE2 3.58Å; V48-F375 HydrophobicContact CG1-CG 3.94Å; V48-F375 HydrophobicContact CG1-CZ 4.28Å; V48-F375 HydrophobicContact CG2-CE2 4.34Å; V48-F375 HydrophobicContact CG2-CZ 4.38Å; L49-F375 HydrophobicContact CD2-CD2 4.18Å; L49-F375 HydrophobicContact CD2-CE2 4.47Å; L49-F375 HydrophobicContact CG-CD2 4.38Å; L49-F375 HydrophobicContact CG-CE2 4.19Å; V365-F375 HydrophobicContact CG1-CZ 4.26Å; Y368-F375 HydrophobicContact CD2-CE2 4.49Å; L369-F375 HydrophobicContact CD2-CD1 3.7Å; L369-F375 HydrophobicContact CD2-CE1 3.5Å; L369-F375 VanDerWaalsContact CD2-CE1 3.5Å; L369-F375 HydrophobicContact CG-CD1 4.01Å; L369-F375 HydrophobicContact CG-CE1 3.65Å; S372-F375 WeakPolarHBondContact O-CB 3.46Å; S372-F375 PolarHBondContact O-N 2.83Å; S372-F375 VanDerWaalsContact O-N 3.15Å; S372-F375 WeakPolarHBondContact OG-CB 3.38Å; S372-F375 PolarHBondContact OG-N 2.89Å; F375-Q377 PolarHBondContact O-N 3.4Å; F375-E378 PolarHBondContact O-N 3.48Å; F375-S379 WeakPolarHBondContact CE1-OG 3Å; F375-S379 WeakPolarHBondContact O-CB 3.46Å; F375-S379 PolarHBondContact O-N 3.25Å; F375-S379 PolarHBondContact O-OG 3.02Å
376R85.3Confident86.1Confident112 Ų11274.9 Ų74.942%0.42334%0.335SS..Hα-helixtrans-56.1-46174-64.6-165.9-64.4-133.212.3114L369 I370 S372 R373 R374 E378 S379 V380L369-R376 WeakPolarHBondContact O-CD 3.38Å; L369-R376 WeakPolarHBondContact O-CG 3.41Å; I370-R376 PolarHBondContact O-NH1 2.88Å; S372-R376 PolarHBondContact O-N 2.76Å; R373-R376 PolarHBondContact O-N 3.06Å; R374-R376 VanDerWaalsContact C-N 3.3Å; R374-R376 PolarHBondContact O-N 2.78Å; R376-E378 VanDerWaalsContact C-N 3.33Å; R376-E378 PolarHBondContact O-N 3.29Å; R376-S379 PolarHBondContact O-N 2.81Å; R376-V380 WeakPolarHBondContact O-CB 3.3Å; R376-V380 VanDerWaalsContact O-CG2 3.22Å; R376-V380 WeakPolarHBondContact O-CG2 3.29Å; R376-V380 PolarHBondContact O-N 3.12Å
377Q86.7Confident86.1Confident91 Ų9177.6 Ų77.643%0.42534%0.339SS..Hα-helixtrans-62.1-43.4-179.5-77.8172.8-2700111.4R373 R374 F375 R381R373-Q377 VanDerWaalsContact O-CG 3.29Å; R373-Q377 WeakPolarHBondContact O-CG 3.16Å; R373-Q377 PolarHBondContact O-N 2.91Å; R374-Q377 PolarHBondContact O-N 3.39Å; R374-Q377 VanDerWaalsContact O-N 3.15Å; F375-Q377 PolarHBondContact O-N 3.4Å; Q377-R381 VanDerWaalsContact O-CG 3.25Å; Q377-R381 WeakPolarHBondContact O-CG 3.4Å; Q377-R381 PolarHBondContact O-N 2.98Å
378E83.6Confident86Confident16 Ų1685.6 Ų85.68%0.07537%0.369CS..Hα-helixtrans-70.2-40176.6-72.9-53.7129.800112.5V48 R51 R374 F375 R376 V380 R381 L382V48-E378 HydrophobicContact CG1-CB 3.74Å; R51-E378 IonicContact NH1-OE2 2.86Å; R51-E378 PolarHBondContact NH1-OE2 3.06Å; R374-E378 PolarHBondContact O-N 3.37Å; F375-E378 PolarHBondContact O-N 3.48Å; R376-E378 VanDerWaalsContact C-N 3.33Å; R376-E378 PolarHBondContact O-N 3.29Å; E378-V380 VanDerWaalsContact C-N 3.35Å; E378-V380 PolarHBondContact O-N 2.86Å; E378-R381 WeakPolarHBondContact O-CB 3.43Å; E378-R381 PolarHBondContact O-N 3.18Å; E378-R381 WeakPolarHBondContact OE1-CD 3.19Å; E378-R381 IonicContact OE1-CZ 2.67Å; E378-R381 IonicContact OE1-NE 3.78Å; E378-R381 IonicContact OE1-NH1 3.96Å; E378-R381 PolarHBondContact OE1-NH1 3.2Å; E378-L382 WeakPolarHBondContact O-CB 3.45Å; E378-L382 PolarHBondContact O-N 2.67Å
379S85.3Confident86.1Confident29 Ų2990.1 Ų90.120%0.20339%0.39CS..Hα-helixtrans-59.6-44.5172.8-56.70000111.4F375 R376 R381 L382 W383F375-S379 WeakPolarHBondContact CE1-OG 3Å; F375-S379 WeakPolarHBondContact O-CB 3.46Å; F375-S379 PolarHBondContact O-N 3.25Å; F375-S379 PolarHBondContact O-OG 3.02Å; R376-S379 PolarHBondContact O-N 2.81Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.01Å; S379-L382 PolarHBondContact O-N 3.18Å; S379-W383 WeakPolarHBondContact O-CB 3.04Å; S379-W383 PolarHBondContact O-N 3.46Å
380V88.8Confident86Confident68 Ų6891.6 Ų91.641%0.41240%0.402SS..Hα-helixtrans-64.6-38.4176.2169.90000111.3R376 E378 W383 R384R376-V380 WeakPolarHBondContact O-CB 3.3Å; R376-V380 VanDerWaalsContact O-CG2 3.22Å; R376-V380 WeakPolarHBondContact O-CG2 3.29Å; R376-V380 PolarHBondContact O-N 3.12Å; E378-V380 VanDerWaalsContact C-N 3.35Å; E378-V380 PolarHBondContact O-N 2.86Å; V380-W383 PolarHBondContact O-N 2.79Å; V380-R384 WeakPolarHBondContact O-CB 3.5Å; V380-R384 VanDerWaalsContact O-CG 3.28Å; V380-R384 WeakPolarHBondContact O-CG 3.38Å; V380-R384 PolarHBondContact O-N 2.74Å
381R86.5Confident85.9Confident122 Ų12293.7 Ų93.746%0.4640%0.403SS..Hα-helixtrans-64.7-46.2175.5-76.3168.6175.8-169.8-8111.7Q377 E378 S379 W383 R384 Y385Q377-R381 VanDerWaalsContact O-CG 3.25Å; Q377-R381 WeakPolarHBondContact O-CG 3.4Å; Q377-R381 PolarHBondContact O-N 2.98Å; E378-R381 WeakPolarHBondContact O-CB 3.43Å; E378-R381 PolarHBondContact O-N 3.18Å; E378-R381 WeakPolarHBondContact OE1-CD 3.19Å; E378-R381 IonicContact OE1-CZ 2.67Å; E378-R381 IonicContact OE1-NE 3.78Å; E378-R381 IonicContact OE1-NH1 3.96Å; E378-R381 PolarHBondContact OE1-NH1 3.2Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.01Å; R381-W383 VanDerWaalsContact C-N 3.33Å; R381-R384 PolarHBondContact O-N 2.92Å; R381-Y385 WeakPolarHBondContact O-CB 3.36Å; R381-Y385 PolarHBondContact O-N 3.02Å
382L85.7Confident86Confident34 Ų3498 Ų9818%0.17842%0.423CS..Hα-helixtrans-59-45.6174.7-84.8162.6000111.3T47 V48 R51 E378 S379 R384 Y385 A386T47-L382 HydrophobicContact CG2-CD1 4.37Å; T47-L382 HydrophobicContact CG2-CD2 4.39Å; V48-L382 HydrophobicContact CB-CD1 4.38Å; V48-L382 HydrophobicContact CG2-CD1 3.4Å; V48-L382 VanDerWaalsContact CG2-CD1 3.4Å; R51-L382 VanDerWaalsContact CZ-CD2 3.42Å; E378-L382 WeakPolarHBondContact O-CB 3.45Å; E378-L382 PolarHBondContact O-N 2.67Å; S379-L382 PolarHBondContact O-N 3.18Å; L382-R384 PolarHBondContact O-N 3.3Å; L382-Y385 WeakPolarHBondContact O-CB 3.48Å; L382-Y385 PolarHBondContact O-N 3.41Å; L382-A386 WeakPolarHBondContact O-CB 3.35Å; L382-A386 PolarHBondContact O-N 3.47Å
383W87.9Confident85.9Confident183 Ų183100.7 Ų100.769%0.69344%0.439SS*.Hα-helixtrans-59.9-44.6176.3-175.5-99000112.5S379 V380 R381 Y385 A386 R387S379-W383 WeakPolarHBondContact O-CB 3.04Å; S379-W383 PolarHBondContact O-N 3.46Å; V380-W383 PolarHBondContact O-N 2.79Å; R381-W383 VanDerWaalsContact C-N 3.33Å; W383-Y385 VanDerWaalsContact C-N 3.33Å; W383-Y385 PolarHBondContact O-N 3.33Å; W383-A386 PolarHBondContact O-N 2.98Å; W383-R387 WeakPolarHBondContact O-CB 3.01Å; W383-R387 PolarHBondContact O-N 2.97Å
384R89.5Confident86Confident154 Ų15499.3 Ų99.358%0.58144%0.442SS*.Hα-helixtrans-63.5-39.3175.6-72.8175.8-167178.13112.1V380 R381 L382 R388V380-R384 WeakPolarHBondContact O-CB 3.5Å; V380-R384 VanDerWaalsContact O-CG 3.28Å; V380-R384 WeakPolarHBondContact O-CG 3.38Å; V380-R384 PolarHBondContact O-N 2.74Å; R381-R384 PolarHBondContact O-N 2.92Å; L382-R384 PolarHBondContact O-N 3.3Å; R384-R388 VanDerWaalsContact O-CG 3.29Å; R384-R388 WeakPolarHBondContact O-CG 3.48Å; R384-R388 PolarHBondContact O-N 2.82Å
385Y88.1Confident86.1Confident146 Ų14698.6 Ų98.657%0.57345%0.447SS*.Hα-helixtrans-64.7-50.9176.9-178.1-91.9000111R381 L382 W383 R387 R388 Q389R381-Y385 WeakPolarHBondContact O-CB 3.36Å; R381-Y385 PolarHBondContact O-N 3.02Å; L382-Y385 WeakPolarHBondContact O-CB 3.48Å; L382-Y385 PolarHBondContact O-N 3.41Å; W383-Y385 VanDerWaalsContact C-N 3.33Å; W383-Y385 PolarHBondContact O-N 3.33Å; Y385-R387 VanDerWaalsContact C-N 3.34Å; Y385-R387 PolarHBondContact O-N 3.02Å; Y385-R388 WeakPolarHBondContact O-CB 3.29Å; Y385-R388 PolarHBondContact O-N 2.67Å; Y385-R388 VanDerWaalsContact O-N 3.12Å; Y385-Q389 PolarHBondContact O-N 3Å
386A87Confident85.9Confident46 Ų46102.8 Ų102.838%0.3847%0.47SS..Hα-helixtrans-56.5-47176.200000111.5L382 W383 R388 Q389 T390L382-A386 WeakPolarHBondContact O-CB 3.35Å; L382-A386 PolarHBondContact O-N 3.47Å; W383-A386 PolarHBondContact O-N 2.98Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.05Å; A386-Q389 PolarHBondContact O-N 3.36Å; A386-Q389 VanDerWaalsContact O-N 3.16Å; A386-T390 PolarHBondContact O-N 2.88Å; A386-T390 PolarHBondContact O-OG1 3.13Å
387R89.1Confident85.4Confident148 Ų148103.3 Ų103.356%0.55848%0.477SS*.Hα-helixtrans-61.6-35.8177.8-168.3177.4-172-172.83.1113.1W383 Y385 R391W383-R387 WeakPolarHBondContact O-CB 3.01Å; W383-R387 PolarHBondContact O-N 2.97Å; Y385-R387 VanDerWaalsContact C-N 3.34Å; Y385-R387 PolarHBondContact O-N 3.02Å; R387-R391 WeakPolarHBondContact O-CG 3.48Å; R387-R391 PolarHBondContact O-N 3.04Å
388R89.4Confident84.7Confident176 Ų176102.5 Ų102.566%0.66448%0.482SS*.Hα-helixtrans-68.1-43.7175-76.6174.2-179-174.6-2.1111.1R384 Y385 A386 R391 Q392R384-R388 VanDerWaalsContact O-CG 3.29Å; R384-R388 WeakPolarHBondContact O-CG 3.48Å; R384-R388 PolarHBondContact O-N 2.82Å; Y385-R388 WeakPolarHBondContact O-CB 3.29Å; Y385-R388 PolarHBondContact O-N 2.67Å; Y385-R388 VanDerWaalsContact O-N 3.12Å; A386-R388 VanDerWaalsContact C-N 3.31Å; A386-R388 PolarHBondContact O-N 3.05Å; R388-R391 WeakPolarHBondContact O-CB 2.93Å; R388-R391 PolarHBondContact O-N 2.03Å; R388-Q392 WeakPolarHBondContact O-CG 3.47Å; R388-Q392 PolarHBondContact O-N 2.85Å
389Q87.6Confident84.1Confident99 Ų99108.7 Ų108.746%0.46351%0.511SS..Hα-helixtrans-63.9-43.8178-168.5176.6-4.800111.6Y385 A386 R391 Q392 V393Y385-Q389 PolarHBondContact O-N 3Å; A386-Q389 PolarHBondContact O-N 3.36Å; A386-Q389 VanDerWaalsContact O-N 3.16Å; Q389-R391 VanDerWaalsContact C-N 3.29Å; Q389-R391 PolarHBondContact O-N 3.46Å; Q389-Q392 PolarHBondContact O-N 3.46Å; Q389-V393 WeakPolarHBondContact O-CG2 3.13Å; Q389-V393 PolarHBondContact O-N 3.22Å
390T87.3Confident83.2Confident97 Ų97113.2 Ų113.260%0.59554%0.537SS*.Hα-helixtrans-60-39.4174.6-50.80000111.9A386 V393 L394A386-T390 PolarHBondContact O-N 2.88Å; A386-T390 PolarHBondContact O-OG1 3.13Å; T390-V393 PolarHBondContact O-N 3.22Å; T390-L394 WeakPolarHBondContact O-CB 3.42Å; T390-L394 PolarHBondContact O-N 3.23Å
391R85.9Confident81.4Confident148 Ų148116.6 Ų116.656%0.55855%0.551SS**Hα-helixtrans-64.2-42.2175.2-76.2176.5177.4-171.8-3.7112.2R387 R388 Q389 L394 T395R387-R391 WeakPolarHBondContact O-CG 3.48Å; R387-R391 PolarHBondContact O-N 3.04Å; R388-R391 WeakPolarHBondContact O-CB 2.93Å; R388-R391 PolarHBondContact O-N 2.03Å; Q389-R391 VanDerWaalsContact C-N 3.29Å; Q389-R391 PolarHBondContact O-N 3.46Å; R391-L394 PolarHBondContact O-N 2.92Å; R391-T395 WeakPolarHBondContact O-CG2 3.26Å; R391-T395 PolarHBondContact O-N 2.98Å; R391-T395 PolarHBondContact O-OG1 3.22Å
392Q85.1Confident79.9Confident124 Ų124123 Ų12358%0.57958%0.583SS**Hα-helixtrans-65.1-40.1177.6-73.6175.8-31.400112.5R388 Q389 L394 T395 N396R388-Q392 WeakPolarHBondContact O-CG 3.47Å; R388-Q392 PolarHBondContact O-N 2.85Å; Q389-Q392 PolarHBondContact O-N 3.46Å; Q392-L394 VanDerWaalsContact C-N 3.35Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.06Å; Q392-T395 PolarHBondContact O-N 3.41Å; Q392-T395 PolarHBondContact O-OG1 3.04Å; Q392-N396 WeakPolarHBondContact O-CB 3.29Å; Q392-N396 PolarHBondContact O-N 3.22Å; Q392-N396 PolarHBondContact O-OD1 3.49Å
393V82.5Confident79.6Confident75 Ų75127.5 Ų127.546%0.45560%0.603SS.*Hα-helixtrans-64.9-42.1175.41750000110.7Q389 T390 N396 Q397Q389-V393 WeakPolarHBondContact O-CG2 3.13Å; Q389-V393 PolarHBondContact O-N 3.22Å; T390-V393 PolarHBondContact O-N 3.22Å; V393-N396 PolarHBondContact O-N 3.17Å; V393-Q397 WeakPolarHBondContact O-CG 3.24Å; V393-Q397 PolarHBondContact O-N 3.11Å
394L82.5Confident79.1Confident120 Ų120124.6 Ų124.663%0.62860%0.599SS**Hα-helixtrans-65-40.3178.6-165.172.5000112.1T390 R391 Q392 S398T390-L394 WeakPolarHBondContact O-CB 3.42Å; T390-L394 PolarHBondContact O-N 3.23Å; R391-L394 PolarHBondContact O-N 2.92Å; Q392-L394 VanDerWaalsContact C-N 3.35Å; L394-S398 PolarHBondContact O-N 3.05Å; L394-S398 PolarHBondContact O-OG 3Å
395T81.4Confident78.6Confident74 Ų74122.9 Ų122.945%0.45460%0.6SS.*Hα-helixtrans-68.1-38.2175.752.10000112.4R391 Q392 S398R391-T395 WeakPolarHBondContact O-CG2 3.26Å; R391-T395 PolarHBondContact O-N 2.98Å; R391-T395 PolarHBondContact O-OG1 3.22Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.06Å; Q392-T395 PolarHBondContact O-N 3.41Å; Q392-T395 PolarHBondContact O-OG1 3.04Å; T395-S398 WeakPolarHBondContact CA-OG 3.28Å; T395-S398 PolarHBondContact O-N 3.49Å; T395-S398 PolarHBondContact O-OG 3.23Å
396N78Confident78Confident97 Ų97121.6 Ų121.652%0.51960%0.601SS.*Hα-helixtrans-71.4-33178.6-687.3000112Q392 V393 E399Q392-N396 WeakPolarHBondContact O-CB 3.29Å; Q392-N396 PolarHBondContact O-N 3.22Å; Q392-N396 PolarHBondContact O-OD1 3.49Å; V393-N396 PolarHBondContact O-N 3.17Å; N396-E399 PolarHBondContact O-N 3.41Å
397Q75Confident77.4Confident122 Ų122126.3 Ų126.357%0.5762%0.615SS**Hα-helixtrans-68.9-34.5175.1-78.6-173.1-26.400112.7V393 E399 V400V393-Q397 WeakPolarHBondContact O-CG 3.24Å; V393-Q397 PolarHBondContact O-N 3.11Å; Q397-E399 PolarHBondContact O-N 3.19Å; Q397-V400 PolarHBondContact O-N 3.38Å
398S73.3Confident76.6Confident75 Ų75124.9 Ų124.952%0.52462%0.619SS.*Hα-helixtrans-66.5-19174.247.20000113.9L394 T395L394-S398 PolarHBondContact O-N 3.05Å; L394-S398 PolarHBondContact O-OG 3Å; T395-S398 WeakPolarHBondContact CA-OG 3.28Å; T395-S398 PolarHBondContact O-N 3.49Å; T395-S398 PolarHBondContact O-OG 3.23Å
399E70.1Confident75.7Confident146 Ų146121.2 Ų121.268%0.68262%0.616SS**Hα-helixtrans-83.8-17.5176.5-70.3178.6176.900113.4N396 Q397N396-E399 PolarHBondContact O-N 3.41Å; Q397-E399 PolarHBondContact O-N 3.19Å
400V65.9Low74.8Confident124 Ų124122.9 Ų122.975%0.75263%0.627SS**Hα-helixtrans-95.8-6.4-176-177.10000112.7Q397 F402Q397-V400 PolarHBondContact O-N 3.38Å; V400-F402 PolarHBondContact O-N 3.24Å
401I52.2Low73.8Confident139 Ų139125.1 Ų125.171%0.71363%0.63SS**  trans-96.881.3174.2-51.8174.7000108.3
402F53.6Low72.7Confident257 Ų257123 Ų123100%1.12764%0.637SS**  trans-137.60161.9-81.8-74.4000110V400V400-F402 PolarHBondContact O-N 3.24Å

Retrieved 402 of 402 residues in 253 ms (Link to these results)

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