A0A087X8S1_POEFO Loading...

DnaJ (Hsp40) homolog, subfamily C, member 5 gamma a

AlphaFold DB , UniProt , Accession A0A087X8S1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 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
1M44.4Very low50.4Low250 Ų250151.2 Ų151.2100%1.23279%0.786SS**  0108.30-60.1-176.1-174.500106
2A44.3Very low50Low110 Ų110153.8 Ų153.891%0.90979%0.787SS**  trans-85.7126.4-173.900000110.2
3E47.4Very low49.8Very low194 Ų194150.2 Ų150.291%0.90777%0.767SS**  trans-72.7128.1-171.3-160.3143.784.100111.6N5E3-N5 PolarHBondContact O-N 3.22Å
4H54.7Low49.5Very low158 Ų158142.9 Ų142.973%0.73174%0.736SS**  trans-76102.6178-169.379.6000109.3P6H4-P6 VanDerWaalsContact O-CD 3.27Å; H4-P6 WeakPolarHBondContact O-CD 3.33Å
5N62.8Low49.4Very low116 Ų116142.8 Ų142.862%0.6275%0.745SS**  trans-69.1113.7177.4-175.7-15.4000110.6E3 A7E3-N5 PolarHBondContact O-N 3.22Å; N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 VanDerWaalsContact OD1-CB 3.31Å; N5-A7 WeakPolarHBondContact OD1-CB 3.35Å; N5-A7 PolarHBondContact OD1-N 3.01Å
6P56Low49.2Very low120 Ų120141.1 Ų141.178%0.77975%0.749SS**THydrogen-bonded Turntrans-75.5-1.3-175.632.1-35.9000114.1H4H4-P6 VanDerWaalsContact O-CD 3.27Å; H4-P6 WeakPolarHBondContact O-CD 3.33Å
7A49.6Very low48.9Very low79 Ų79135.8 Ų135.865%0.65374%0.735SS**THydrogen-bonded Turntrans-87.12.6-17600000114.8N5 P9N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 VanDerWaalsContact OD1-CB 3.31Å; N5-A7 WeakPolarHBondContact OD1-CB 3.35Å; N5-A7 PolarHBondContact OD1-N 3.01Å; A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.27Å
8R46.8Very low49.3Very low216 Ų216134.2 Ų134.282%0.81572%0.722SS**SBendtrans-77.4119.6171.9-163.7177.7-170.4-165.83.2107.9Q10R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.43Å
9P50Low50.8Low101 Ų101130.2 Ų130.266%0.65670%0.703SS**  trans-60101.5173.8-19.632000108.2A7 R11A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-R11 PolarHBondContact O-N 3.17Å
10Q48.2Very low52.7Low157 Ų157124.4 Ų124.473%0.73467%0.672SS**  trans-56.6114.4166.1-80.2-91.8-3.200105.2R8 K12R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.43Å; Q10-K12 VanDerWaalsContact C-N 3.29Å; Q10-K12 PolarHBondContact O-N 3.36Å
11R50.1Low54.5Low162 Ų162118.6 Ų118.661%0.61164%0.641SS**  trans-60.597.9178.3-154.2176.7-169.4145.83.9106.3P9 M13 N66P9-R11 PolarHBondContact O-N 3.17Å; R11-M13 PolarHBondContact O-N 3.43Å; R11-N66 VanDerWaalsContact NH2-CG 3.28Å; R11-N66 PolarHBondContact NH2-ND2 3.37Å; R11-N66 PolarHBondContact NH2-OD1 3.25Å
12K45.7Very low56.7Low182 Ų182113.7 Ų113.779%0.79161%0.612SS**  trans-58.7107.1178.5-76.4-179.6178.6178.50106.3Q10 S14Q10-K12 VanDerWaalsContact C-N 3.29Å; Q10-K12 PolarHBondContact O-N 3.36Å; K12-S14 PolarHBondContact O-N 3.35Å; K12-S14 PolarHBondContact O-OG 2.92Å; K12-S14 VanDerWaalsContact O-OG 3.11Å
13M47.2Very low58.9Low108 Ų108109.9 Ų109.953%0.53258%0.578SS.*  trans-69.776.5171.4-63.4-160.4-176.600107.5R11 M86 Y89R11-M13 PolarHBondContact O-N 3.43Å; M13-M86 HydrophobicContact CB-CE 4.13Å; M13-M86 HydrophobicContact CG-CE 4.13Å; M13-M86 HydrophobicContact SD-CE 3.3Å; M13-M86 WeakPolarHBondContact SD-CE 3.43Å; M13-Y89 HydrophobicContact CE-CD1 4.06Å; M13-Y89 HydrophobicContact CE-CD2 3.49Å; M13-Y89 VanDerWaalsContact CE-CD2 3.49Å; M13-Y89 HydrophobicContact CE-CE1 3.96Å; M13-Y89 HydrophobicContact CE-CE2 3.38Å; M13-Y89 HydrophobicContact CE-CG 3.83Å
14S45.4Very low61Low48 Ų48101 Ų10134%0.33654%0.536SS..  trans-85.9118.3-179.3-47.40000105.7K12 S16 G17K12-S14 PolarHBondContact O-N 3.35Å; K12-S14 PolarHBondContact O-OG 2.92Å; K12-S14 VanDerWaalsContact O-OG 3.11Å; S14-S16 PolarHBondContact O-N 3.35Å; S14-G17 VanDerWaalsContact CB-N 3.26Å; S14-G17 PolarHBondContact O-N 3.04Å
15T48Very low62.7Low141 Ų14196.6 Ų96.687%0.86553%0.534SS*.THydrogen-bonded Turntrans-58.3-3.2167.212.40000112.8
16S47.1Very low64Low116 Ų11692.9 Ų92.981%0.81151%0.514SS*.THydrogen-bonded Turntrans-147.719.6176-61.50000115.1S14 E18S14-S16 PolarHBondContact O-N 3.35Å; S16-E18 PolarHBondContact O-N 3.49Å; S16-E18 VanDerWaalsContact O-N 3.11Å
17G44.6Very low65.5Low50 Ų5095.3 Ų95.352%0.51552%0.515SS..SBendtrans-77.8102-177.800000111S14S14-G17 VanDerWaalsContact CB-N 3.26Å; S14-G17 PolarHBondContact O-N 3.04Å
18E55.5Low67.2Low108 Ų10898.3 Ų98.351%0.50551%0.513SS..  trans36.596.4174.5-61.6-174.9-176.900114.2S16 V20 V23 K60S16-E18 PolarHBondContact O-N 3.49Å; S16-E18 VanDerWaalsContact O-N 3.11Å; E18-V20 PolarHBondContact O-N 3Å; E18-V23 HydrophobicContact CB-CG2 4.19Å; E18-K60 IonicContact OE2-NZ 3.7Å
19T77.4Confident68.9Low57 Ų5790.8 Ų90.835%0.3550%0.503SS..  trans-48.9138.1178.958.10000110.2Y21 K22 V23 Y80T19-Y21 CarbonylContact O-C 3.24Å; T19-Y21 PolarHBondContact O-N 3.21Å; T19-K22 WeakPolarHBondContact O-CA 3.46Å; T19-K22 VanDerWaalsContact O-CB 3.31Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.84Å; T19-K22 WeakPolarHBondContact OG1-CB 3.31Å; T19-K22 VanDerWaalsContact OG1-CD 3.28Å; T19-K22 WeakPolarHBondContact OG1-CD 3.33Å; T19-K22 WeakPolarHBondContact OG1-CG 3.3Å; T19-K22 PolarHBondContact OG1-N 3.2Å; T19-V23 PolarHBondContact O-N 2.88Å; T19-Y80 VanDerWaalsContact CA-OH 3.27Å; T19-Y80 WeakPolarHBondContact CA-OH 3.42Å
20V88.8Confident70.7Confident14 Ų1486.5 Ų86.59%0.08548%0.476CS..Hα-helixtrans-48.9-33.8-176.5-178.20000112.2E18 A67 I70 L71 Y80E18-V20 PolarHBondContact O-N 3Å; V20-A67 HydrophobicContact CG1-CB 3.61Å; V20-I70 HydrophobicContact CG1-CB 4.09Å; V20-I70 HydrophobicContact CG1-CD1 4.19Å; V20-I70 HydrophobicContact CG1-CG2 4.16Å; V20-I70 HydrophobicContact CG2-CD1 3.98Å; V20-L71 HydrophobicContact CB-CD2 4.45Å; V20-L71 HydrophobicContact CG1-CD1 4.09Å; V20-L71 HydrophobicContact CG1-CD2 3.94Å; V20-L71 HydrophobicContact CG1-CG 3.68Å; V20-Y80 HydrophobicContact CB-CD1 4.38Å; V20-Y80 HydrophobicContact CB-CE1 3.87Å; V20-Y80 HydrophobicContact CB-CE2 4.38Å; V20-Y80 HydrophobicContact CG2-CD1 4.21Å; V20-Y80 HydrophobicContact CG2-CD2 3.9Å; V20-Y80 HydrophobicContact CG2-CE1 3.78Å; V20-Y80 HydrophobicContact CG2-CE2 3.39Å; V20-Y80 HydrophobicContact CG2-CG 4.25Å; V20-Y80 PolarHBondContact N-OH 3.22Å; V20-Y80 VanDerWaalsContact N-OH 3.08Å
21Y90.3Very high72.8Confident4 Ų481.7 Ų81.72%0.01646%0.46CS..Hα-helixtrans-66.7-41.6172.1-60.4-85.9000113.9T19 V23 L24 G25 L26 E27 K28 L71 R77 Y80 D81T19-Y21 CarbonylContact O-C 3.24Å; T19-Y21 PolarHBondContact O-N 3.21Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 2.77Å; Y21-L24 CarbonylContact O-C 3.51Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.16Å; Y21-G25 PolarHBondContact O-N 3.05Å; Y21-G25 VanDerWaalsContact O-N 3.08Å; Y21-L26 CarbonylContact C-O 3.52Å; Y21-L26 WeakPolarHBondContact CB-O 3.42Å; Y21-L26 PolarHBondContact O-N 2.76Å; Y21-E27 WeakPolarHBondContact CD1-O 3.34Å; Y21-K28 HydrophobicContact CD2-CB 4.44Å; Y21-K28 HydrophobicContact CD2-CG 4.34Å; Y21-K28 HydrophobicContact CE2-CB 4.47Å; Y21-K28 HydrophobicContact CE2-CG 3.92Å; Y21-L71 HydrophobicContact CD1-CD1 3.69Å; Y21-L71 HydrophobicContact CD1-CD2 4.08Å; Y21-L71 HydrophobicContact CD2-CD2 4.36Å; Y21-L71 HydrophobicContact CE1-CD1 3.87Å; Y21-L71 HydrophobicContact CE1-CD2 3.55Å; Y21-L71 HydrophobicContact CE1-CG 4.36Å; Y21-L71 HydrophobicContact CE2-CD2 3.87Å; Y21-L71 HydrophobicContact CG-CD1 4.23Å; Y21-L71 HydrophobicContact CG-CD2 4.46Å; Y21-L71 VanDerWaalsContact CZ-CD2 3.45Å; Y21-R77 PolarHBondContact OH-NE 3.07Å; Y21-R77 VanDerWaalsContact OH-NE 3.1Å; Y21-Y80 HydrophobicContact CD2-CE1 4.08Å; Y21-Y80 HydrophobicContact CE2-CD1 4.09Å; Y21-Y80 AromaticContact CE2-CE1 3.91Å; Y21-Y80 HydrophobicContact CE2-CE1 3.91Å; Y21-D81 WeakPolarHBondContact CE2-OD1 3.39Å; Y21-D81 PolarHBondContact OH-OD1 3.14Å; Y21-D81 PolarHBondContact OH-OD2 3.37Å; Y21-D81 VanDerWaalsContact OH-OD2 3.06Å
22K90.2Very high74.7Confident147 Ų14776.4 Ų76.464%0.63945%0.451SS*.Hα-helixtrans-62.4-35.5176.1-80.5174.8-176-173.10113T19 L24 G25T19-K22 WeakPolarHBondContact O-CA 3.46Å; T19-K22 VanDerWaalsContact O-CB 3.31Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.84Å; T19-K22 WeakPolarHBondContact OG1-CB 3.31Å; T19-K22 VanDerWaalsContact OG1-CD 3.28Å; T19-K22 WeakPolarHBondContact OG1-CD 3.33Å; T19-K22 WeakPolarHBondContact OG1-CG 3.3Å; T19-K22 PolarHBondContact OG1-N 3.2Å; K22-L24 PolarHBondContact O-N 3.13Å; K22-G25 PolarHBondContact O-N 3.21Å
23V91.3Very high77Confident30 Ų3073.5 Ų73.518%0.18244%0.44CS..Hα-helixtrans-58.4-37.4175.4177.90000111E18 T19 Y21 G25 E63 I64 A67E18-V23 HydrophobicContact CB-CG2 4.19Å; T19-V23 PolarHBondContact O-N 2.88Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 2.77Å; V23-G25 VanDerWaalsContact C-N 3.35Å; V23-E63 HydrophobicContact CG1-CB 3.89Å; V23-I64 HydrophobicContact CG1-CG1 4.16Å; V23-A67 HydrophobicContact CB-CB 4.02Å; V23-A67 HydrophobicContact CG1-CB 3.98Å
24L90.9Very high79.2Confident6 Ų673 Ų733%0.03144%0.436CS..THydrogen-bonded Turntrans-86.6-3.5175.5-73.8151.2000113.3Y21 K22 L26 I35 A38 L42 I64 A67 L71Y21-L24 CarbonylContact O-C 3.51Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.16Å; K22-L24 PolarHBondContact O-N 3.13Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 HydrophobicContact CB-CD1 4.11Å; L24-L26 HydrophobicContact CB-CG 4.21Å; L24-I35 HydrophobicContact CD1-CG2 4.42Å; L24-A38 HydrophobicContact CB-CB 4.37Å; L24-A38 HydrophobicContact CD2-CB 4.29Å; L24-L42 HydrophobicContact CD2-CD1 4.37Å; L24-I64 HydrophobicContact CD2-CG2 4.43Å; L24-A67 HydrophobicContact CD1-CB 3.82Å; L24-A67 HydrophobicContact CG-CB 4.19Å; L24-L71 HydrophobicContact CD1-CD1 3.55Å; L24-L71 HydrophobicContact CD1-CG 4.48Å
25G90.1Very high81.4Confident67 Ų6770.8 Ų70.869%0.69142%0.421SS*.THydrogen-bonded Turntrans68.229.5-175.200000113.6Y21 K22 V23Y21-G25 PolarHBondContact O-N 3.05Å; Y21-G25 VanDerWaalsContact O-N 3.08Å; K22-G25 PolarHBondContact O-N 3.21Å; V23-G25 VanDerWaalsContact C-N 3.35Å
26L90.4Very high83.6Confident38 Ų3867.8 Ų67.820%0.19940%0.396CS..  trans-112.4158.7-178.6-64.9174.9000111.4Y21 L24 A30 E34 I35 A38Y21-L26 CarbonylContact C-O 3.52Å; Y21-L26 WeakPolarHBondContact CB-O 3.42Å; Y21-L26 PolarHBondContact O-N 2.76Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 HydrophobicContact CB-CD1 4.11Å; L24-L26 HydrophobicContact CB-CG 4.21Å; L26-A30 HydrophobicContact CB-CB 4.09Å; L26-A30 HydrophobicContact CD1-CB 4.08Å; L26-A30 HydrophobicContact CD2-CB 4.46Å; L26-A30 HydrophobicContact CG-CB 4.45Å; L26-E34 HydrophobicContact CD2-CB 4.42Å; L26-I35 HydrophobicContact CD1-CB 4.29Å; L26-I35 HydrophobicContact CD1-CG1 3.78Å; L26-A38 HydrophobicContact CD1-CB 3.84Å; L26-A38 HydrophobicContact CD2-CB 4.21Å; L26-A38 HydrophobicContact CG-CB 4.04Å
27E87.8Confident85.9Confident170 Ų17068.1 Ų68.179%0.79438%0.383SS*.  trans-86.9159169.9-66.2-164.6149.100111.8Y21 G29 A30Y21-E27 WeakPolarHBondContact CD1-O 3.34Å; E27-G29 PolarHBondContact O-N 3.01Å; E27-A30 PolarHBondContact O-N 3.35Å
28K84.8Confident88.3Confident142 Ų14266.5 Ų66.562%0.61736%0.364SS*.THydrogen-bonded Turntrans-63.9126.5174.9-166.3-179.4-174.5-178.70108.3Y21 D81Y21-K28 HydrophobicContact CD2-CB 4.44Å; Y21-K28 HydrophobicContact CD2-CG 4.34Å; Y21-K28 HydrophobicContact CE2-CB 4.47Å; Y21-K28 HydrophobicContact CE2-CG 3.92Å; K28-D81 WeakPolarHBondContact CE-OD1 3.34Å; K28-D81 PolarHBondContact NZ-O 3.48Å
29G82.7Confident90.3Very high59 Ų5964 Ų6461%0.60835%0.35SS*.THydrogen-bonded Turntrans102.11.2-176.800000115E27E27-G29 PolarHBondContact O-N 3.01Å
30A88.1Confident91.1Very high11 Ų1168 Ų689%0.09136%0.359CS..  trans-53144.417200000112.5L26 E27 E34 I35 R77L26-A30 HydrophobicContact CB-CB 4.09Å; L26-A30 HydrophobicContact CD1-CB 4.08Å; L26-A30 HydrophobicContact CD2-CB 4.46Å; L26-A30 HydrophobicContact CG-CB 4.45Å; E27-A30 PolarHBondContact O-N 3.35Å; A30-E34 HydrophobicContact CB-CB 4.4Å; A30-I35 HydrophobicContact CB-CG1 4.37Å; A30-R77 PolarHBondContact O-NH1 3.03Å; A30-R77 VanDerWaalsContact O-NH1 3.1Å; A30-R77 PolarHBondContact O-NH2 3.46Å
31S92Very high91.4Very high55 Ų5574 Ų7439%0.38538%0.384SS..  trans-70.1156.6177.864.40000111.6E33 E34 I35S31-E33 PolarHBondContact O-N 3.12Å; S31-E34 PolarHBondContact N-OE2 3.29Å; S31-E34 PolarHBondContact O-N 3.5Å; S31-E34 VanDerWaalsContact O-N 3.14Å; S31-E34 VanDerWaalsContact OG-CD 3.22Å; S31-E34 VanDerWaalsContact OG-CG 3.23Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 3.17Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.11Å
32A91.3Very high91.6Very high51 Ų5175.6 Ų75.642%0.42139%0.393SS..Hα-helixtrans-58-33.4177.300000112.5I35 K36A32-I35 PolarHBondContact O-N 2.72Å; A32-K36 WeakPolarHBondContact O-CG 3.36Å; A32-K36 PolarHBondContact O-N 2.88Å
33E93.1Very high91.8Very high121 Ų12169.2 Ų69.257%0.56537%0.368SS*.Hα-helixtrans-67.9-40.7177.3-67.2-55.7126.300112.3S31 K36 K37S31-E33 PolarHBondContact O-N 3.12Å; E33-K36 PolarHBondContact O-N 3.24Å; E33-K36 IonicContact OE1-NZ 3.91Å; E33-K37 WeakPolarHBondContact O-CB 3.11Å; E33-K37 PolarHBondContact O-N 3.43Å
34E92.9Very high91.9Very high98 Ų9873.3 Ų73.346%0.45839%0.388SS..Hα-helixtrans-65.3-41.7174.8-72.9164.7150.800111.7L26 A30 S31 K37 A38L26-E34 HydrophobicContact CD2-CB 4.42Å; A30-E34 HydrophobicContact CB-CB 4.4Å; S31-E34 PolarHBondContact N-OE2 3.29Å; S31-E34 PolarHBondContact O-N 3.5Å; S31-E34 VanDerWaalsContact O-N 3.14Å; S31-E34 VanDerWaalsContact OG-CD 3.22Å; S31-E34 VanDerWaalsContact OG-CG 3.23Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 3.17Å; E34-K37 PolarHBondContact O-N 3.14Å; E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3Å
35I93.2Very high92Very high1 Ų179.2 Ų79.21%0.00541%0.413CS..Hα-helixtrans-57.9-51.6175.2-67.1158.5000110.4L24 L26 A30 S31 A32 K37 A38 Y39 L71L24-I35 HydrophobicContact CD1-CG2 4.42Å; L26-I35 HydrophobicContact CD1-CB 4.29Å; L26-I35 HydrophobicContact CD1-CG1 3.78Å; A30-I35 HydrophobicContact CB-CG1 4.37Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.11Å; A32-I35 PolarHBondContact O-N 2.72Å; I35-K37 VanDerWaalsContact C-N 3.3Å; I35-K37 PolarHBondContact O-N 3.14Å; I35-A38 PolarHBondContact O-N 3.28Å; I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.11Å; I35-L71 HydrophobicContact CD1-CB 3.96Å; I35-L71 HydrophobicContact CD1-CD1 4.36Å; I35-L71 HydrophobicContact CG1-CB 4.42Å; I35-L71 HydrophobicContact CG1-CD1 4.26Å; I35-L71 HydrophobicContact CG2-CB 3.91Å; I35-L71 HydrophobicContact CG2-CD1 4.44Å
36K94.1Very high92.2Very high78 Ų7879 Ų7934%0.33939%0.392SS..Hα-helixtrans-61.2-37.7177.3-71.2172.7-171167.90112.3A32 E33 R40A32-K36 WeakPolarHBondContact O-CG 3.36Å; A32-K36 PolarHBondContact O-N 2.88Å; E33-K36 PolarHBondContact O-N 3.24Å; E33-K36 IonicContact OE1-NZ 3.91Å; K36-R40 WeakPolarHBondContact O-CB 3.18Å; K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3.31Å; K36-R40 VanDerWaalsContact O-N 3.11Å; K36-R40 PolarHBondContact O-NE 2.95Å; K36-R40 VanDerWaalsContact O-NE 3.08Å
37K95.3Very high92.3Very high124 Ų12480.8 Ų80.854%0.53940%0.399SS..Hα-helixtrans-69.1-43.9178.7-171.2177.5-177178.40111.6E33 E34 I35 K41E33-K37 WeakPolarHBondContact O-CB 3.11Å; E33-K37 PolarHBondContact O-N 3.43Å; E34-K37 PolarHBondContact O-N 3.14Å; I35-K37 VanDerWaalsContact C-N 3.3Å; I35-K37 PolarHBondContact O-N 3.14Å; K37-K41 WeakPolarHBondContact O-CG 3.39Å; K37-K41 PolarHBondContact O-N 3.43Å
38A95.3Very high92.5Very high15 Ų1575.9 Ų75.912%0.12438%0.382CS..Hα-helixtrans-64.1-46.617700000111.3L24 L26 E34 I35 R40 K41 L42L24-A38 HydrophobicContact CB-CB 4.37Å; L24-A38 HydrophobicContact CD2-CB 4.29Å; L26-A38 HydrophobicContact CD1-CB 3.84Å; L26-A38 HydrophobicContact CD2-CB 4.21Å; L26-A38 HydrophobicContact CG-CB 4.04Å; E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3Å; I35-A38 PolarHBondContact O-N 3.28Å; A38-R40 PolarHBondContact O-N 3.24Å; A38-K41 PolarHBondContact O-N 3.35Å; A38-L42 WeakPolarHBondContact O-CG 3.31Å; A38-L42 PolarHBondContact O-N 2.93Å
39Y95.4Very high92.9Very high55 Ų5575.3 Ų75.322%0.21639%0.386CS..Hα-helixtrans-55-51.6175.5172.8-107.2000111.6I35 K41 L42 A43 I64 N68I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.11Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.94Å; Y39-L42 PolarHBondContact O-N 2.69Å; Y39-A43 HydrophobicContact CE1-CB 4.46Å; Y39-A43 HydrophobicContact CE2-CB 4.26Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.23Å; Y39-I64 HydrophobicContact CD2-CG2 3.58Å; Y39-I64 HydrophobicContact CE2-CG2 3.9Å; Y39-N68 HydrophobicContact CD2-CB 3.39Å; Y39-N68 HydrophobicContact CE2-CB 3.85Å; Y39-N68 HydrophobicContact CG-CB 3.84Å
40R95.1Very high93.3Very high141 Ų14179.4 Ų79.453%0.53239%0.387SS..Hα-helixtrans-57.2-42.8179.4-76.7179.6-73.2-160.60.6112.7K36 A38 L44K36-R40 WeakPolarHBondContact O-CB 3.18Å; K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3.31Å; K36-R40 VanDerWaalsContact O-N 3.11Å; K36-R40 PolarHBondContact O-NE 2.95Å; K36-R40 VanDerWaalsContact O-NE 3.08Å; A38-R40 PolarHBondContact O-N 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.48Å; R40-L44 PolarHBondContact O-N 3.02Å
41K95.3Very high93.5Very high140 Ų14081.1 Ų81.161%0.60939%0.394SS*.Hα-helixtrans-64-46.1178.4-73.7178.4176.3-172.90112.1K37 A38 Y39 K45K37-K41 WeakPolarHBondContact O-CG 3.39Å; K37-K41 PolarHBondContact O-N 3.43Å; A38-K41 PolarHBondContact O-N 3.35Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.94Å; K41-K45 PolarHBondContact O-N 3.47Å
42L94.3Very high93.4Very high39 Ų3983.2 Ų83.220%0.20441%0.407CS..Hα-helixtrans-74.5-37.8-177.3-68.3171.9000112L24 A38 Y39 L44 K45 Y46 I64L24-L42 HydrophobicContact CD2-CD1 4.37Å; A38-L42 WeakPolarHBondContact O-CG 3.31Å; A38-L42 PolarHBondContact O-N 2.93Å; Y39-L42 PolarHBondContact O-N 2.69Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 3.3Å; L42-K45 PolarHBondContact O-N 3.16Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L42-Y46 HydrophobicContact CD2-CE2 4.14Å; L42-Y46 WeakPolarHBondContact O-CD2 3.11Å; L42-Y46 PolarHBondContact O-N 2.92Å; L42-I64 HydrophobicContact CB-CD1 3.71Å; L42-I64 HydrophobicContact CB-CG1 4.2Å; L42-I64 HydrophobicContact CB-CG2 4.1Å; L42-I64 HydrophobicContact CD1-CG1 4.39Å
43A93.6Very high93.4Very high13 Ų1388.1 Ų88.111%0.10743%0.426CS..Hα-helixtrans-61.1-40.117600000111.9Y39 H47 F61Y39-A43 HydrophobicContact CE1-CB 4.46Å; Y39-A43 HydrophobicContact CE2-CB 4.26Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.23Å; A43-H47 WeakPolarHBondContact O-CA 3.43Å; A43-H47 VanDerWaalsContact O-CB 3.29Å; A43-H47 WeakPolarHBondContact O-CB 3.27Å; A43-H47 PolarHBondContact O-N 2.86Å; A43-F61 HydrophobicContact CB-CE2 4.03Å
44L93.8Very high93.3Very high115 Ų11585.6 Ų85.660%0.60242%0.416SS*.Hα-helixtrans-67.9-35.5174.4-73.3168.6000112.6R40 L42R40-L44 WeakPolarHBondContact O-CG 3.48Å; R40-L44 PolarHBondContact O-N 3.02Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 3.3Å
45K92.8Very high93.1Very high130 Ų13085.3 Ų85.357%0.56542%0.423SS*.Hα-helixtrans-69.6-43.2179.9-174.6178179.1-176.60112K41 L42 N51K41-K45 PolarHBondContact O-N 3.47Å; L42-K45 PolarHBondContact O-N 3.16Å; L42-K45 VanDerWaalsContact O-N 3.14Å; K45-N51 PolarHBondContact O-ND2 3.3Å
46Y94.5Very high92.9Very high62 Ų6290.4 Ų90.424%0.24345%0.45CS..SBendtrans-104.118.6-176.3-61.9-71.9000113.2L42 A57 K60 F61 I64L42-Y46 HydrophobicContact CD2-CE2 4.14Å; L42-Y46 WeakPolarHBondContact O-CD2 3.11Å; L42-Y46 PolarHBondContact O-N 2.92Å; Y46-A57 HydrophobicContact CD1-CB 4.06Å; Y46-K60 HydrophobicContact CD1-CB 4.12Å; Y46-K60 HydrophobicContact CD2-CB 4.46Å; Y46-K60 HydrophobicContact CE1-CB 4.33Å; Y46-K60 HydrophobicContact CG-CB 4.19Å; Y46-F61 WeakPolarHBondContact O-CD2 3.28Å; Y46-I64 HydrophobicContact CD2-CD1 3.47Å; Y46-I64 VanDerWaalsContact CD2-CD1 3.47Å; Y46-I64 HydrophobicContact CE2-CD1 4.1Å; Y46-I64 HydrophobicContact CG-CD1 4.24Å
47H93.2Very high92.7Very high77 Ų7786.8 Ų86.836%0.35644%0.435SS..  trans-61136.3179.6-163.7-89.8000110.4A43 D49 K50 N51A43-H47 WeakPolarHBondContact O-CA 3.43Å; A43-H47 VanDerWaalsContact O-CB 3.29Å; A43-H47 WeakPolarHBondContact O-CB 3.27Å; A43-H47 PolarHBondContact O-N 2.86Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 WeakPolarHBondContact ND1-CB 3.41Å; H47-D49 PolarHBondContact ND1-N 3.45Å; H47-D49 VanDerWaalsContact ND1-N 3.17Å; H47-D49 PolarHBondContact O-N 2.89Å; H47-K50 PolarHBondContact O-N 2.86Å; H47-K50 VanDerWaalsContact O-N 3.14Å; H47-N51 PolarHBondContact O-N 3.48Å; H47-N51 PolarHBondContact O-ND2 3.44Å
48P91.7Very high92.5Very high67 Ų6782.9 Ų82.944%0.43543%0.426SS..G310 helixtrans-61.4-33.6-177.722.8-34000113.1K50 N51 P52P48-K50 VanDerWaalsContact C-N 3.32Å; P48-K50 PolarHBondContact O-N 3.08Å; P48-N51 CarbonylContact O-C 3.32Å; P48-N51 VanDerWaalsContact O-C 3.24Å; P48-N51 PolarHBondContact O-N 3.42Å; P48-P52 WeakPolarHBondContact O-CA 3.3Å; P48-P52 VanDerWaalsContact O-N 3.13Å
49D92.7Very high92.2Very high129 Ų12987 Ų8769%0.6944%0.442SS*.G310 helixtrans-57.7-41.1175.2-173.4-73.3000113H47H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 WeakPolarHBondContact ND1-CB 3.41Å; H47-D49 PolarHBondContact ND1-N 3.45Å; H47-D49 VanDerWaalsContact ND1-N 3.17Å; H47-D49 PolarHBondContact O-N 2.89Å
50K92.1Very high92Very high146 Ų14687.7 Ų87.764%0.63545%0.447SS*.G310 helixtrans-84.4-15.2-179.3-67.6-178.4178.5-66.20113H47 P48 P52H47-K50 PolarHBondContact O-N 2.86Å; H47-K50 VanDerWaalsContact O-N 3.14Å; P48-K50 VanDerWaalsContact C-N 3.32Å; P48-K50 PolarHBondContact O-N 3.08Å; K50-P52 VanDerWaalsContact C-CD 3.47Å
51N92.5Very high91.8Very high47 Ų4783.2 Ų83.225%0.25143%0.431SS..  trans-135.155.1-175-55.7-88.4000111.3K45 H47 P48 D53 N54 A57K45-N51 PolarHBondContact O-ND2 3.3Å; H47-N51 PolarHBondContact O-N 3.48Å; H47-N51 PolarHBondContact O-ND2 3.44Å; P48-N51 CarbonylContact O-C 3.32Å; P48-N51 VanDerWaalsContact O-C 3.24Å; P48-N51 PolarHBondContact O-N 3.42Å; N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact O-N 3.38Å; N51-N54 HydrophobicContact CB-CB 4.3Å; N51-N54 PolarHBondContact O-N 2.94Å; N51-A57 HydrophobicContact CB-CB 3.69Å
52P88.7Confident91.6Very high99 Ų9983.5 Ų83.564%0.64343%0.432SS*.THydrogen-bonded Turntrans-66.4-31-172.526-34000113.2P48 K50P48-P52 WeakPolarHBondContact O-CA 3.3Å; P48-P52 VanDerWaalsContact O-N 3.13Å; K50-P52 VanDerWaalsContact C-CD 3.47Å
53D91.4Very high91.5Very high154 Ų15485.1 Ų85.182%0.82444%0.439SS*.THydrogen-bonded Turntrans-97.33-175.4-52.6-63.9000113.8N51 P55N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact O-N 3.38Å; D53-P55 WeakPolarHBondContact O-CD 3.36Å
54N90.7Very high91.5Very high67 Ų6784.7 Ų84.736%0.35843%0.434SS..  trans-108.1101-175.4-170.6-20.1000111.5N51 D56 A57 A58N51-N54 HydrophobicContact CB-CB 4.3Å; N51-N54 PolarHBondContact O-N 2.94Å; N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 WeakPolarHBondContact OD1-CB 3.38Å; N54-D56 PolarHBondContact OD1-N 3.41Å; N54-A57 HydrophobicContact CB-CB 3.95Å; N54-A57 PolarHBondContact O-N 2.93Å; N54-A57 PolarHBondContact OD1-N 3.2Å; N54-A58 PolarHBondContact O-N 2.96Å
55P89.7Confident91.4Very high92 Ų9282.5 Ų82.560%0.59742%0.423SS*.Hα-helixtrans-64.1-32.1178.826.4-33.7000112.6D53 A57 A58 E59D53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-A57 VanDerWaalsContact C-N 3.31Å; P55-A57 PolarHBondContact O-N 3.08Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 2.79Å; P55-A58 VanDerWaalsContact O-N 3.17Å; P55-E59 PolarHBondContact O-N 3.43Å
56D89.6Confident91.3Very high108 Ų10878.4 Ų78.458%0.57841%0.408SS*.Hα-helixtrans-66.1-36.3178.7-57-37.6000111.2N54 A58 E59 K60N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 WeakPolarHBondContact OD1-CB 3.38Å; N54-D56 PolarHBondContact OD1-N 3.41Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.11Å; D56-E59 PolarHBondContact O-N 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.16Å; D56-K60 PolarHBondContact O-N 2.9Å
57A89.8Confident91.2Very high3 Ų375.6 Ų75.63%0.02540%0.397CS..Hα-helixtrans-64.6-38.5174.900000111.4Y46 N51 N54 P55 K60 F61Y46-A57 HydrophobicContact CD1-CB 4.06Å; N51-A57 HydrophobicContact CB-CB 3.69Å; N54-A57 HydrophobicContact CB-CB 3.95Å; N54-A57 PolarHBondContact O-N 2.93Å; N54-A57 PolarHBondContact OD1-N 3.2Å; P55-A57 VanDerWaalsContact C-N 3.31Å; P55-A57 PolarHBondContact O-N 3.08Å; A57-K60 PolarHBondContact O-N 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 3.24Å
58A89.7Confident91.2Very high42 Ų4273 Ų7335%0.34739%0.386SS..Hα-helixtrans-67-39.2175.900000112.2N54 P55 D56 F61 K62N54-A58 PolarHBondContact O-N 2.96Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 2.79Å; P55-A58 VanDerWaalsContact O-N 3.17Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.11Å; A58-F61 PolarHBondContact O-N 3.2Å; A58-K62 WeakPolarHBondContact O-CG 3.38Å; A58-K62 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-N 3.12Å
59E89.9Confident91.2Very high100 Ų10072.5 Ų72.547%0.46738%0.384SS..Hα-helixtrans-64-48173.3-68.6-162.1155.600111.5P55 D56 F61 K62 E63P55-E59 PolarHBondContact O-N 3.43Å; D56-E59 PolarHBondContact O-N 3.31Å; E59-F61 VanDerWaalsContact C-N 3.3Å; E59-F61 PolarHBondContact O-N 3.32Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 VanDerWaalsContact O-N 3.13Å; E59-E63 PolarHBondContact O-N 3.26Å
60K90.4Very high91.2Very high71 Ų7166.7 Ų66.731%0.30935%0.353SS..Hα-helixtrans-59.6-40.9176.3-73.3-73.8161.7-156.50112.1E18 Y46 D56 A57 K62 E63 I64E18-K60 IonicContact OE2-NZ 3.7Å; Y46-K60 HydrophobicContact CD1-CB 4.12Å; Y46-K60 HydrophobicContact CD2-CB 4.46Å; Y46-K60 HydrophobicContact CE1-CB 4.33Å; Y46-K60 HydrophobicContact CG-CB 4.19Å; D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.16Å; D56-K60 PolarHBondContact O-N 2.9Å; A57-K60 PolarHBondContact O-N 3.31Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 3.19Å; K60-E63 IonicContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact NZ-OE2 3.36Å; K60-E63 WeakPolarHBondContact O-CB 3.34Å; K60-E63 PolarHBondContact O-N 3.29Å; K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 VanDerWaalsContact O-CD1 3.27Å; K60-I64 WeakPolarHBondContact O-CD1 3.4Å; K60-I64 WeakPolarHBondContact O-CG1 3.23Å; K60-I64 PolarHBondContact O-N 3.04Å
61F91.9Very high91.1Very high46 Ų4660 Ų6020%0.20232%0.324CS..Hα-helixtrans-61.8-40.9176.7-171.8-97.4000112.3A43 Y46 A57 A58 E59 I64 N65A43-F61 HydrophobicContact CB-CE2 4.03Å; Y46-F61 WeakPolarHBondContact O-CD2 3.28Å; A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 3.24Å; A58-F61 PolarHBondContact O-N 3.2Å; E59-F61 VanDerWaalsContact C-N 3.3Å; E59-F61 PolarHBondContact O-N 3.32Å; F61-I64 PolarHBondContact O-N 3.17Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 2.76Å
62K91Very high91Very high146 Ų14662.3 Ų62.364%0.63534%0.336SS*.Hα-helixtrans-62.2-44174.2-70.6168.9-174.5171.40111.6A58 E59 K60 N65 N66A58-K62 WeakPolarHBondContact O-CG 3.38Å; A58-K62 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 VanDerWaalsContact O-N 3.13Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 3.19Å; K62-N65 PolarHBondContact O-N 2.94Å; K62-N66 WeakPolarHBondContact O-CB 3.43Å; K62-N66 PolarHBondContact O-N 3.47Å
63E91.2Very high91.1Very high74 Ų7459.8 Ų59.835%0.34632%0.318SS..Hα-helixtrans-60.7-47.8176.2-69175.7175.400111.4V23 E59 K60 N65 N66 A67V23-E63 HydrophobicContact CG1-CB 3.89Å; E59-E63 PolarHBondContact O-N 3.26Å; K60-E63 IonicContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact NZ-OE2 3.36Å; K60-E63 WeakPolarHBondContact O-CB 3.34Å; K60-E63 PolarHBondContact O-N 3.29Å; E63-N65 VanDerWaalsContact C-N 3.35Å; E63-N65 PolarHBondContact O-N 3.07Å; E63-N66 PolarHBondContact O-N 3.09Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.39Å
64I93.2Very high91Very high3 Ų360.6 Ų60.62%0.01532%0.316CS..Hα-helixtrans-60.4-44.5178.9-69.2156.6000111.1V23 L24 Y39 L42 Y46 K60 F61 A67 N68V23-I64 HydrophobicContact CG1-CG1 4.16Å; L24-I64 HydrophobicContact CD2-CG2 4.43Å; Y39-I64 HydrophobicContact CD2-CG2 3.58Å; Y39-I64 HydrophobicContact CE2-CG2 3.9Å; L42-I64 HydrophobicContact CB-CD1 3.71Å; L42-I64 HydrophobicContact CB-CG1 4.2Å; L42-I64 HydrophobicContact CB-CG2 4.1Å; L42-I64 HydrophobicContact CD1-CG1 4.39Å; Y46-I64 HydrophobicContact CD2-CD1 3.47Å; Y46-I64 VanDerWaalsContact CD2-CD1 3.47Å; Y46-I64 HydrophobicContact CE2-CD1 4.1Å; Y46-I64 HydrophobicContact CG-CD1 4.24Å; K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 VanDerWaalsContact O-CD1 3.27Å; K60-I64 WeakPolarHBondContact O-CD1 3.4Å; K60-I64 WeakPolarHBondContact O-CG1 3.23Å; K60-I64 PolarHBondContact O-N 3.04Å; F61-I64 PolarHBondContact O-N 3.17Å; I64-A67 PolarHBondContact O-N 3.26Å; I64-N68 WeakPolarHBondContact O-CB 3.33Å; I64-N68 PolarHBondContact O-N 3.47Å
65N92.6Very high90.9Very high69 Ų6960.2 Ų60.237%0.36931%0.314SS..Hα-helixtrans-67-41.9179.4-168.925.8000111.6F61 K62 E63 A67 N68 S69F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 2.76Å; K62-N65 PolarHBondContact O-N 2.94Å; E63-N65 VanDerWaalsContact C-N 3.35Å; E63-N65 PolarHBondContact O-N 3.07Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; N65-N68 PolarHBondContact O-N 3.45Å; N65-S69 WeakPolarHBondContact O-CB 3.33Å; N65-S69 PolarHBondContact O-N 3.48Å; N65-S69 PolarHBondContact O-OG 2.84Å
66N91Very high90.9Very high44 Ų4458.7 Ų58.724%0.23530%0.298CS..Hα-helixtrans-61.2-44.8174.7-172.6-82.9000111.1R11 K62 E63 N68 S69 I70R11-N66 VanDerWaalsContact NH2-CG 3.28Å; R11-N66 PolarHBondContact NH2-ND2 3.37Å; R11-N66 PolarHBondContact NH2-OD1 3.25Å; K62-N66 WeakPolarHBondContact O-CB 3.43Å; K62-N66 PolarHBondContact O-N 3.47Å; E63-N66 PolarHBondContact O-N 3.09Å; N66-N68 PolarHBondContact O-N 3.3Å; N66-S69 WeakPolarHBondContact O-CB 3.44Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 VanDerWaalsContact O-N 3.17Å; N66-I70 WeakPolarHBondContact O-CG1 3.44Å; N66-I70 PolarHBondContact O-N 2.99Å; N66-I70 VanDerWaalsContact O-N 3.09Å; N66-I70 WeakPolarHBondContact OD1-CD1 3.13Å
67A92.3Very high90.9Very high3 Ų355.7 Ų55.73%0.02528%0.279CS..Hα-helixtrans-63.2-44179.900000112.8V20 V23 L24 E63 I64 N65 S69 I70 L71V20-A67 HydrophobicContact CG1-CB 3.61Å; V23-A67 HydrophobicContact CB-CB 4.02Å; V23-A67 HydrophobicContact CG1-CB 3.98Å; L24-A67 HydrophobicContact CD1-CB 3.82Å; L24-A67 HydrophobicContact CG-CB 4.19Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.39Å; I64-A67 PolarHBondContact O-N 3.26Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.47Å; A67-I70 PolarHBondContact O-N 2.85Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.92Å
68N93.6Very high90.7Very high22 Ų2261.2 Ų61.212%0.11830%0.299CS..Hα-helixtrans-62.3-40173.8-175.767000112Y39 I64 N65 N66 I70 L71 N72Y39-N68 HydrophobicContact CD2-CB 3.39Å; Y39-N68 HydrophobicContact CE2-CB 3.85Å; Y39-N68 HydrophobicContact CG-CB 3.84Å; I64-N68 WeakPolarHBondContact O-CB 3.33Å; I64-N68 PolarHBondContact O-N 3.47Å; N65-N68 PolarHBondContact O-N 3.45Å; N66-N68 PolarHBondContact O-N 3.3Å; N68-I70 PolarHBondContact O-N 3.38Å; N68-L71 PolarHBondContact O-N 2.83Å; N68-N72 WeakPolarHBondContact O-CB 3.14Å; N68-N72 PolarHBondContact O-N 2.91Å
69S91.8Very high90.6Very high57 Ų5759.5 Ų59.540%0.39928%0.284SS..Hα-helixtrans-61.7-32.2177.5-57.30000112.8N65 N66 A67N65-S69 WeakPolarHBondContact O-CB 3.33Å; N65-S69 PolarHBondContact O-N 3.48Å; N65-S69 PolarHBondContact O-OG 2.84Å; N66-S69 WeakPolarHBondContact O-CB 3.44Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 VanDerWaalsContact O-N 3.17Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.47Å
70I91.1Very high90.4Very high8 Ų856.3 Ų56.34%0.04127%0.268CS..Hα-helixtrans-78.8-47.2177.3-66.2160.8000111.2V20 N66 A67 N68 D73 K76 R77 Y80 L88V20-I70 HydrophobicContact CG1-CB 4.09Å; V20-I70 HydrophobicContact CG1-CD1 4.19Å; V20-I70 HydrophobicContact CG1-CG2 4.16Å; V20-I70 HydrophobicContact CG2-CD1 3.98Å; N66-I70 WeakPolarHBondContact O-CG1 3.44Å; N66-I70 PolarHBondContact O-N 2.99Å; N66-I70 VanDerWaalsContact O-N 3.09Å; N66-I70 WeakPolarHBondContact OD1-CD1 3.13Å; A67-I70 PolarHBondContact O-N 2.85Å; N68-I70 PolarHBondContact O-N 3.38Å; I70-D73 VanDerWaalsContact O-O 3.05Å; I70-K76 HydrophobicContact CG2-CB 4.41Å; I70-R77 PolarHBondContact O-N 3Å; I70-Y80 HydrophobicContact CG2-CG 4.42Å; I70-L88 HydrophobicContact CB-CD2 4.47Å; I70-L88 HydrophobicContact CD1-CD1 3.58Å; I70-L88 HydrophobicContact CD1-CD2 4.19Å; I70-L88 HydrophobicContact CG1-CD1 4.08Å; I70-L88 HydrophobicContact CG1-CD2 3.8Å; I70-L88 HydrophobicContact CG2-CD1 4.01Å; I70-L88 HydrophobicContact CG2-CD2 3.94Å
71L90.6Very high90.3Very high5 Ų555.5 Ų55.53%0.02627%0.267CS..Hα-helixtrans-79.9-23.2-172.7-64.1-174.7000113.9V20 Y21 L24 I35 A67 N68 R77V20-L71 HydrophobicContact CB-CD2 4.45Å; V20-L71 HydrophobicContact CG1-CD1 4.09Å; V20-L71 HydrophobicContact CG1-CD2 3.94Å; V20-L71 HydrophobicContact CG1-CG 3.68Å; Y21-L71 HydrophobicContact CD1-CD1 3.69Å; Y21-L71 HydrophobicContact CD1-CD2 4.08Å; Y21-L71 HydrophobicContact CD2-CD2 4.36Å; Y21-L71 HydrophobicContact CE1-CD1 3.87Å; Y21-L71 HydrophobicContact CE1-CD2 3.55Å; Y21-L71 HydrophobicContact CE1-CG 4.36Å; Y21-L71 HydrophobicContact CE2-CD2 3.87Å; Y21-L71 HydrophobicContact CG-CD1 4.23Å; Y21-L71 HydrophobicContact CG-CD2 4.46Å; Y21-L71 VanDerWaalsContact CZ-CD2 3.45Å; L24-L71 HydrophobicContact CD1-CD1 3.55Å; L24-L71 HydrophobicContact CD1-CG 4.48Å; I35-L71 HydrophobicContact CD1-CB 3.96Å; I35-L71 HydrophobicContact CD1-CD1 4.36Å; I35-L71 HydrophobicContact CG1-CB 4.42Å; I35-L71 HydrophobicContact CG1-CD1 4.26Å; I35-L71 HydrophobicContact CG2-CB 3.91Å; I35-L71 HydrophobicContact CG2-CD1 4.44Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.92Å; N68-L71 PolarHBondContact O-N 2.83Å; L71-R77 HydrophobicContact CD2-CG 4.28Å
72N91.1Very high89.8Confident95 Ų9558.9 Ų58.951%0.50828%0.284SS..SBendtrans-77.4-24.1176.6-171.158.7000112.3N68N68-N72 WeakPolarHBondContact O-CB 3.14Å; N68-N72 PolarHBondContact O-N 2.91Å
73D90.8Very high89.4Confident46 Ų4655.4 Ų55.425%0.24627%0.267CS..SBendtrans-93.3117.6174.5-176.1-34.2000109.7I70 N75 K76 R77I70-D73 VanDerWaalsContact O-O 3.05Å; D73-N75 VanDerWaalsContact C-N 3.29Å; D73-N75 PolarHBondContact O-N 3.19Å; D73-N75 WeakPolarHBondContact OD1-CB 3.04Å; D73-N75 PolarHBondContact OD1-N 3.1Å; D73-K76 HydrophobicContact CB-CB 4.03Å; D73-K76 HydrophobicContact CB-CD 4.04Å; D73-K76 HydrophobicContact CB-CG 4.07Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-K76 PolarHBondContact OD1-N 3.05Å; D73-R77 VanDerWaalsContact O-CB 3.22Å; D73-R77 WeakPolarHBondContact O-CB 3.28Å; D73-R77 PolarHBondContact O-N 2.94Å
74E89.6Confident89.2Confident171 Ų17153.1 Ų53.180%0.79926%0.263SS*.Hα-helixtrans-64.2-33.1-175.8-162.1161.2-148.200112.6R78E74-R78 WeakPolarHBondContact O-CB 3.47Å; E74-R78 PolarHBondContact O-N 3.27Å
75N88.3Confident88.7Confident59 Ų5955.4 Ų55.432%0.31628%0.28SS..Hα-helixtrans-70.4-47.7176.5-74.2-54.6000111.1D73 R77 R78 I79D73-N75 VanDerWaalsContact C-N 3.29Å; D73-N75 PolarHBondContact O-N 3.19Å; D73-N75 WeakPolarHBondContact OD1-CB 3.04Å; D73-N75 PolarHBondContact OD1-N 3.1Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.08Å; N75-R78 PolarHBondContact O-N 2.84Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; N75-R78 VanDerWaalsContact OD1-NH2 3.14Å; N75-I79 VanDerWaalsContact O-CG1 3.31Å; N75-I79 WeakPolarHBondContact O-CG1 3.34Å; N75-I79 PolarHBondContact O-N 2.86Å
76K88.8Confident88.3Confident60 Ų6056.2 Ų56.226%0.26128%0.282SS..Hα-helixtrans-65.6-38.1178.9-64.9-178.3-175.8178.60111.6I70 D73 I79 Y80 L88I70-K76 HydrophobicContact CG2-CB 4.41Å; D73-K76 HydrophobicContact CB-CB 4.03Å; D73-K76 HydrophobicContact CB-CD 4.04Å; D73-K76 HydrophobicContact CB-CG 4.07Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-K76 PolarHBondContact OD1-N 3.05Å; K76-I79 PolarHBondContact O-N 3.46Å; K76-Y80 WeakPolarHBondContact O-CB 3.19Å; K76-Y80 PolarHBondContact O-N 3.35Å; K76-L88 HydrophobicContact CB-CD2 4.2Å
77R89.4Confident88Confident46 Ų4654.2 Ų54.217%0.17427%0.271CS..Hα-helixtrans-58.9-47.8172.2-176.6177.8178.6165.41.2111.2Y21 A30 I70 L71 D73 N75 Y80 D81Y21-R77 PolarHBondContact OH-NE 3.07Å; Y21-R77 VanDerWaalsContact OH-NE 3.1Å; A30-R77 PolarHBondContact O-NH1 3.03Å; A30-R77 VanDerWaalsContact O-NH1 3.1Å; A30-R77 PolarHBondContact O-NH2 3.46Å; I70-R77 PolarHBondContact O-N 3Å; L71-R77 HydrophobicContact CD2-CG 4.28Å; D73-R77 VanDerWaalsContact O-CB 3.22Å; D73-R77 WeakPolarHBondContact O-CB 3.28Å; D73-R77 PolarHBondContact O-N 2.94Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.08Å; R77-Y80 PolarHBondContact O-N 2.84Å; R77-D81 IonicContact NE-OD2 2.69Å; R77-D81 WeakPolarHBondContact O-CB 3.34Å; R77-D81 VanDerWaalsContact O-CG 3.28Å; R77-D81 PolarHBondContact O-N 3.14Å
78R86.6Confident87.7Confident119 Ų11954.8 Ų54.845%0.44927%0.274SS..Hα-helixtrans-60.5-48176.4-174.3-177.664.7-150.2-14.7111.7E74 N75 Y80 D81 E82E74-R78 WeakPolarHBondContact O-CB 3.47Å; E74-R78 PolarHBondContact O-N 3.27Å; N75-R78 PolarHBondContact O-N 2.84Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; N75-R78 VanDerWaalsContact OD1-NH2 3.14Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.35Å; R78-D81 PolarHBondContact O-N 3.22Å; R78-E82 WeakPolarHBondContact O-CB 3.38Å; R78-E82 PolarHBondContact O-N 3.17Å
79I86.8Confident87.2Confident6 Ų658.2 Ų58.23%0.03129%0.286CS..Hα-helixtrans-58.6-43.9178.7-69166.3000110.5N75 K76 Y83 G87 V99N75-I79 VanDerWaalsContact O-CG1 3.31Å; N75-I79 WeakPolarHBondContact O-CG1 3.34Å; N75-I79 PolarHBondContact O-N 2.86Å; K76-I79 PolarHBondContact O-N 3.46Å; I79-Y83 HydrophobicContact CG2-CD2 4.44Å; I79-Y83 WeakPolarHBondContact O-CA 3.49Å; I79-Y83 WeakPolarHBondContact O-CB 3.46Å; I79-Y83 PolarHBondContact O-N 3.33Å; I79-G87 WeakPolarHBondContact CG2-O 3.3Å; I79-V99 HydrophobicContact CD1-CG1 4.24Å; I79-V99 HydrophobicContact CG1-CG1 4.27Å; I79-V99 HydrophobicContact CG2-CG1 4.06Å
80Y87Confident86.9Confident33 Ų3357.3 Ų57.313%0.12928%0.278CS..Hα-helixtrans-66.2-42176.8179.5-102.9000112.6T19 V20 Y21 I70 K76 R77 R78 E82 G84 L88T19-Y80 VanDerWaalsContact CA-OH 3.27Å; T19-Y80 WeakPolarHBondContact CA-OH 3.42Å; V20-Y80 HydrophobicContact CB-CD1 4.38Å; V20-Y80 HydrophobicContact CB-CE1 3.87Å; V20-Y80 HydrophobicContact CB-CE2 4.38Å; V20-Y80 HydrophobicContact CG2-CD1 4.21Å; V20-Y80 HydrophobicContact CG2-CD2 3.9Å; V20-Y80 HydrophobicContact CG2-CE1 3.78Å; V20-Y80 HydrophobicContact CG2-CE2 3.39Å; V20-Y80 HydrophobicContact CG2-CG 4.25Å; V20-Y80 PolarHBondContact N-OH 3.22Å; V20-Y80 VanDerWaalsContact N-OH 3.08Å; Y21-Y80 HydrophobicContact CD2-CE1 4.08Å; Y21-Y80 HydrophobicContact CE2-CD1 4.09Å; Y21-Y80 AromaticContact CE2-CE1 3.91Å; Y21-Y80 HydrophobicContact CE2-CE1 3.91Å; I70-Y80 HydrophobicContact CG2-CG 4.42Å; K76-Y80 WeakPolarHBondContact O-CB 3.19Å; K76-Y80 PolarHBondContact O-N 3.35Å; R77-Y80 PolarHBondContact O-N 2.84Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.27Å; Y80-E82 PolarHBondContact O-N 3.33Å; Y80-G84 WeakPolarHBondContact O-CA 2.99Å; Y80-G84 PolarHBondContact O-N 3.45Å; Y80-L88 HydrophobicContact CD2-CD1 3.3Å; Y80-L88 HydrophobicContact CD2-CG 4.22Å; Y80-L88 HydrophobicContact CE2-CD1 4.13Å; Y80-L88 HydrophobicContact CG-CD1 3.95Å
81D87.1Confident86.6Confident53 Ų5357.3 Ų57.328%0.28328%0.279SS..Hα-helixtrans-67.6-28.9-178.5-76.9-21.7000112.7Y21 K28 R77 R78Y21-D81 WeakPolarHBondContact CE2-OD1 3.39Å; Y21-D81 PolarHBondContact OH-OD1 3.14Å; Y21-D81 PolarHBondContact OH-OD2 3.37Å; Y21-D81 VanDerWaalsContact OH-OD2 3.06Å; K28-D81 WeakPolarHBondContact CE-OD1 3.34Å; K28-D81 PolarHBondContact NZ-O 3.48Å; R77-D81 IonicContact NE-OD2 2.69Å; R77-D81 WeakPolarHBondContact O-CB 3.34Å; R77-D81 VanDerWaalsContact O-CG 3.28Å; R77-D81 PolarHBondContact O-N 3.14Å; R78-D81 PolarHBondContact O-N 3.22Å
82E82.7Confident86.3Confident118 Ų11862.1 Ų62.155%0.55130%0.301SS*.Hα-helixtrans-93.9-37.8-178-165.2176.6170.700112.9R78 Y80R78-E82 WeakPolarHBondContact O-CB 3.38Å; R78-E82 PolarHBondContact O-N 3.17Å; Y80-E82 VanDerWaalsContact C-N 3.27Å; Y80-E82 PolarHBondContact O-N 3.33Å
83Y81.8Confident85.9Confident73 Ų7363 Ų6329%0.28630%0.302SS..Hα-helixtrans-126.3-0.8-170.4-53.8-71.3000114.5I79 G87 F103I79-Y83 HydrophobicContact CG2-CD2 4.44Å; I79-Y83 WeakPolarHBondContact O-CA 3.49Å; I79-Y83 WeakPolarHBondContact O-CB 3.46Å; I79-Y83 PolarHBondContact O-N 3.33Å; Y83-G87 PolarHBondContact O-N 3.46Å; Y83-F103 AromaticContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD2 4.05Å; Y83-F103 AromaticContact CD1-CE1 3.12Å; Y83-F103 HydrophobicContact CD1-CE1 3.12Å; Y83-F103 AromaticContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CG 4.14Å; Y83-F103 AromaticContact CD1-CZ 3.04Å; Y83-F103 HydrophobicContact CD1-CZ 3.04Å; Y83-F103 AromaticContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CE1 4.35Å; Y83-F103 AromaticContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CG 4.44Å; Y83-F103 AromaticContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CE1-CB 4.28Å; Y83-F103 AromaticContact CE1-CD1 3.12Å; Y83-F103 HydrophobicContact CE1-CD1 3.12Å; Y83-F103 AromaticContact CE1-CD2 3.62Å; Y83-F103 HydrophobicContact CE1-CD2 3.62Å; Y83-F103 AromaticContact CE1-CE1 3.14Å; Y83-F103 HydrophobicContact CE1-CE1 3.14Å; Y83-F103 AromaticContact CE1-CE2 3.6Å; Y83-F103 HydrophobicContact CE1-CE2 3.6Å; Y83-F103 AromaticContact CE1-CG 3.41Å; Y83-F103 HydrophobicContact CE1-CG 3.41Å; Y83-F103 VanDerWaalsContact CE1-CG 3.41Å; Y83-F103 AromaticContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE1-CZ 3.41Å; Y83-F103 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE2-CD1 4.32Å; Y83-F103 AromaticContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CE1 4.4Å; Y83-F103 AromaticContact CE2-CE2 3.26Å; Y83-F103 HydrophobicContact CE2-CE2 3.26Å; Y83-F103 AromaticContact CE2-CG 3.79Å; Y83-F103 HydrophobicContact CE2-CG 3.79Å; Y83-F103 AromaticContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CG-CD1 4.42Å; Y83-F103 HydrophobicContact CG-CD2 4.04Å; Y83-F103 AromaticContact CG-CE1 3.75Å; Y83-F103 HydrophobicContact CG-CE1 3.75Å; Y83-F103 AromaticContact CG-CE2 3.24Å; Y83-F103 HydrophobicContact CG-CE2 3.24Å; Y83-F103 AromaticContact CG-CZ 3.11Å; Y83-F103 HydrophobicContact CG-CZ 3.11Å; Y83-F103 AromaticContact CZ-CD1 3.49Å; Y83-F103 VanDerWaalsContact CZ-CD1 3.49Å; Y83-F103 AromaticContact CZ-CD2 3.16Å; Y83-F103 AromaticContact CZ-CE1 3.82Å; Y83-F103 AromaticContact CZ-CE2 3.47Å; Y83-F103 VanDerWaalsContact CZ-CE2 3.47Å; Y83-F103 AromaticContact CZ-CG 3.19Å; Y83-F103 AromaticContact CZ-CZ 3.83Å; Y83-F103 WeakPolarHBondContact OH-CB 3.45Å; Y83-F103 VanDerWaalsContact OH-CG 3.3Å; Y83-F103 WeakPolarHBondContact OH-CG 3.37Å
84G86.5Confident85.4Confident26 Ų2667.6 Ų67.627%0.26832%0.32SS..Hα-helixtrans66.7-152.7177.900000114Y80 M86 G87 L88Y80-G84 WeakPolarHBondContact O-CA 2.99Å; Y80-G84 PolarHBondContact O-N 3.45Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 2.94Å; G84-G87 PolarHBondContact O-N 3.49Å; G84-L88 PolarHBondContact O-N 2.66Å
85S84.4Confident85Confident51 Ų5161 Ų6136%0.35730%0.299SS..Hα-helixtrans-64.5-27.7-178.651.70000113.4Y89S85-Y89 PolarHBondContact O-N 2.87Å; S85-Y89 VanDerWaalsContact O-N 3.07Å
86M82.8Confident84.4Confident86 Ų8661.1 Ų61.142%0.42430%0.297SS..Hα-helixtrans-67.2-43.3175.1-82.6-60.197.200112.6M13 G84 L88 Y89 V90M13-M86 HydrophobicContact CB-CE 4.13Å; M13-M86 HydrophobicContact CG-CE 4.13Å; M13-M86 HydrophobicContact SD-CE 3.3Å; M13-M86 WeakPolarHBondContact SD-CE 3.43Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 2.94Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.1Å; M86-Y89 PolarHBondContact O-N 2.97Å; M86-V90 WeakPolarHBondContact O-CG2 3.5Å; M86-V90 PolarHBondContact O-N 3.4Å
87G84.3Confident83.8Confident1 Ų164.2 Ų64.21%0.0131%0.313CS..Hα-helixtrans-59.2-40.9176.600000112.4I79 Y83 G84 V90 S91I79-G87 WeakPolarHBondContact CG2-O 3.3Å; Y83-G87 PolarHBondContact O-N 3.46Å; G84-G87 PolarHBondContact O-N 3.49Å; G87-V90 PolarHBondContact O-N 3.26Å; G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.32Å
88L86.6Confident83.3Confident15 Ų1564.5 Ų64.58%0.07932%0.322CS..Hα-helixtrans-62.6-46.4174.6-80.7165.6000112.5I70 K76 Y80 G84 M86 V90 S91 E92I70-L88 HydrophobicContact CB-CD2 4.47Å; I70-L88 HydrophobicContact CD1-CD1 3.58Å; I70-L88 HydrophobicContact CD1-CD2 4.19Å; I70-L88 HydrophobicContact CG1-CD1 4.08Å; I70-L88 HydrophobicContact CG1-CD2 3.8Å; I70-L88 HydrophobicContact CG2-CD1 4.01Å; I70-L88 HydrophobicContact CG2-CD2 3.94Å; K76-L88 HydrophobicContact CB-CD2 4.2Å; Y80-L88 HydrophobicContact CD2-CD1 3.3Å; Y80-L88 HydrophobicContact CD2-CG 4.22Å; Y80-L88 HydrophobicContact CE2-CD1 4.13Å; Y80-L88 HydrophobicContact CG-CD1 3.95Å; G84-L88 PolarHBondContact O-N 2.66Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.1Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.38Å; L88-S91 WeakPolarHBondContact CA-OG 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.34Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.1Å; L88-S91 PolarHBondContact O-OG 3.37Å; L88-E92 PolarHBondContact O-N 3.24Å
89Y84.3Confident82.8Confident95 Ų9558.9 Ų58.937%0.37330%0.301SS..Hα-helixtrans-58.9-44.9179177.2-106.9000111.8M13 S85 M86 S91 E92 Q93M13-Y89 HydrophobicContact CE-CD1 4.06Å; M13-Y89 HydrophobicContact CE-CD2 3.49Å; M13-Y89 VanDerWaalsContact CE-CD2 3.49Å; M13-Y89 HydrophobicContact CE-CE1 3.96Å; M13-Y89 HydrophobicContact CE-CE2 3.38Å; M13-Y89 HydrophobicContact CE-CG 3.83Å; S85-Y89 PolarHBondContact O-N 2.87Å; S85-Y89 VanDerWaalsContact O-N 3.07Å; M86-Y89 PolarHBondContact O-N 2.97Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.26Å; Y89-E92 PolarHBondContact O-N 3.34Å; Y89-Q93 HydrophobicContact CD2-CG 4.37Å; Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 HydrophobicContact CE2-CG 3.91Å; Y89-Q93 WeakPolarHBondContact O-CG 3.34Å; Y89-Q93 PolarHBondContact O-N 3.49Å; Y89-Q93 VanDerWaalsContact O-N 3.17Å
90V84.1Confident82.3Confident37 Ų3762.5 Ų62.522%0.22432%0.316CS..Hα-helixtrans-65-38.3176.6-178.20000110.8M86 G87 L88 E92 Q93 F94 V99M86-V90 WeakPolarHBondContact O-CG2 3.5Å; M86-V90 PolarHBondContact O-N 3.4Å; G87-V90 PolarHBondContact O-N 3.26Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.38Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3Å; V90-Q93 PolarHBondContact O-N 2.86Å; V90-F94 HydrophobicContact CG1-CD2 3.93Å; V90-F94 PolarHBondContact O-N 3.35Å; V90-V99 HydrophobicContact CB-CG2 4.01Å; V90-V99 HydrophobicContact CG1-CG2 3.76Å
91S85.5Confident81.9Confident9 Ų966.9 Ų66.96%0.06333%0.333CS..Hα-helixtrans-63.5-37.6176.877.60000113.1G87 L88 Y89 G95 V99G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.32Å; L88-S91 WeakPolarHBondContact CA-OG 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.34Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.1Å; L88-S91 PolarHBondContact O-OG 3.37Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.26Å; S91-G95 CarbonylContact O-C 3.6Å; S91-G95 VanDerWaalsContact O-CA 3.23Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 3.1Å; S91-G95 VanDerWaalsContact O-N 3.1Å; S91-V99 VanDerWaalsContact N-CG2 3.3Å
92E84.3Confident81.3Confident105 Ų10571 Ų7149%0.49135%0.346SS..Hα-helixtrans-72.3-31178.7-74.3-176.1154.500112.3L88 Y89 V90L88-E92 PolarHBondContact O-N 3.24Å; Y89-E92 PolarHBondContact O-N 3.34Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3Å
93Q82.1Confident80.8Confident115 Ų11567.3 Ų67.354%0.53733%0.328SS..Hα-helixtrans-89.6-41.5-176.9-67-59.9-53.100113.7Y89 V90Y89-Q93 HydrophobicContact CD2-CG 4.37Å; Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 HydrophobicContact CE2-CG 3.91Å; Y89-Q93 WeakPolarHBondContact O-CG 3.34Å; Y89-Q93 PolarHBondContact O-N 3.49Å; Y89-Q93 VanDerWaalsContact O-N 3.17Å; V90-Q93 PolarHBondContact O-N 2.86Å
94F80.6Confident80.3Confident141 Ų14167.1 Ų67.162%0.61833%0.331SS*.Hα-helixtrans-115.4-0.3-170-60-79.3000113.1V90 S98V90-F94 HydrophobicContact CG1-CD2 3.93Å; V90-F94 PolarHBondContact O-N 3.35Å; F94-S98 WeakPolarHBondContact O-CB 3.43Å; F94-S98 PolarHBondContact O-OG 3.24Å
95G82.1Confident79.5Confident34 Ų3468.8 Ų68.835%0.35133%0.333SS..  trans82.3160.9-176.200000113.4S91 E97 S98 V99S91-G95 CarbonylContact O-C 3.6Å; S91-G95 VanDerWaalsContact O-CA 3.23Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 3.1Å; S91-G95 VanDerWaalsContact O-N 3.1Å; G95-E97 VanDerWaalsContact C-N 3.29Å; G95-E97 PolarHBondContact O-N 2.67Å; G95-S98 PolarHBondContact O-N 2.91Å; G95-V99 PolarHBondContact O-N 3.45Å
96E73.8Confident78.9Confident61 Ų6169.6 Ų69.629%0.28534%0.339SS..Hα-helixtrans-64.3-32.6-174.1-60.4176.1-154.400112.8V99 K100E96-V99 PolarHBondContact O-N 3.41Å; E96-K100 PolarHBondContact O-N 3.34Å
97E77.5Confident78.8Confident125 Ų12570.8 Ų70.858%0.58434%0.341SS*.Hα-helixtrans-69.5-36.9179.3-61.3-56.3103.300112.1G95 V99 K100 Y101G95-E97 VanDerWaalsContact C-N 3.29Å; G95-E97 PolarHBondContact O-N 2.67Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 PolarHBondContact O-N 2.76Å; E97-K100 PolarHBondContact O-N 3.5Å; E97-K100 IonicContact OE1-NZ 3.51Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-Y101 WeakPolarHBondContact O-CB 3.23Å; E97-Y101 PolarHBondContact O-N 3.13Å
98S78.1Confident78.3Confident52 Ų5281.2 Ų81.236%0.36438%0.381SS..Hα-helixtrans-66.6-33.4176.8-61.80000112.1F94 G95 Y101 Y102F94-S98 WeakPolarHBondContact O-CB 3.43Å; F94-S98 PolarHBondContact O-OG 3.24Å; G95-S98 PolarHBondContact O-N 2.91Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y102 WeakPolarHBondContact O-CB 3.2Å; S98-Y102 PolarHBondContact O-N 3.4Å
99V76Confident78Confident1 Ų188.2 Ų88.21%0.00641%0.406CS..Hα-helixtrans-66.7-47.6175.2-178.50000110.3I79 V90 S91 G95 E96 E97 Y101 Y102 F103I79-V99 HydrophobicContact CD1-CG1 4.24Å; I79-V99 HydrophobicContact CG1-CG1 4.27Å; I79-V99 HydrophobicContact CG2-CG1 4.06Å; V90-V99 HydrophobicContact CB-CG2 4.01Å; V90-V99 HydrophobicContact CG1-CG2 3.76Å; S91-V99 VanDerWaalsContact N-CG2 3.3Å; G95-V99 PolarHBondContact O-N 3.45Å; E96-V99 PolarHBondContact O-N 3.41Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 PolarHBondContact O-N 2.76Å; V99-Y101 VanDerWaalsContact C-N 3.3Å; V99-Y101 PolarHBondContact O-N 3.28Å; V99-Y102 PolarHBondContact O-N 3.49Å; V99-F103 HydrophobicContact CG1-CD2 3.56Å; V99-F103 HydrophobicContact CG1-CE2 3.22Å; V99-F103 HydrophobicContact CG1-CZ 4.35Å; V99-F103 WeakPolarHBondContact O-CD2 3.41Å; V99-F103 WeakPolarHBondContact O-CG 3.25Å; V99-F103 PolarHBondContact O-N 3.45Å
100K76.8Confident77.9Confident82 Ų8286 Ų8636%0.35740%0.399SS..Hα-helixtrans-57-45.5173.9-67.5172.1-169.1157.10110.8E96 E97 F103 L104E96-K100 PolarHBondContact O-N 3.34Å; E97-K100 PolarHBondContact O-N 3.5Å; E97-K100 IonicContact OE1-NZ 3.51Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; K100-F103 PolarHBondContact O-N 3.36Å; K100-L104 VanDerWaalsContact O-CB 3.25Å; K100-L104 WeakPolarHBondContact O-CB 3.19Å; K100-L104 PolarHBondContact O-N 3.01Å
101Y77.8Confident77.8Confident125 Ų12590 Ų9049%0.4941%0.413SS..Hα-helixtrans-67.2-44.1179.3-172.9-110.6000112.7E97 S98 V99 F103 L104 M105E97-Y101 WeakPolarHBondContact O-CB 3.23Å; E97-Y101 PolarHBondContact O-N 3.13Å; S98-Y101 PolarHBondContact O-N 3.43Å; V99-Y101 VanDerWaalsContact C-N 3.3Å; V99-Y101 PolarHBondContact O-N 3.28Å; Y101-F103 VanDerWaalsContact C-N 3.29Å; Y101-F103 PolarHBondContact O-N 2.83Å; Y101-L104 CarbonylContact O-C 3.53Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 3.36Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; Y101-M105 HydrophobicContact CD1-CE 3.38Å; Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD1-SD 3.93Å; Y101-M105 HydrophobicContact CD2-CG 4.38Å; Y101-M105 HydrophobicContact CE1-CE 3.13Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 3.18Å; Y101-M105 WeakPolarHBondContact CE1-SD 3.33Å; Y101-M105 HydrophobicContact CE2-CG 4.05Å; Y101-M105 HydrophobicContact CE2-SD 4.37Å; Y101-M105 HydrophobicContact CG-CE 4.44Å; Y101-M105 HydrophobicContact CG-CG 4.37Å; Y101-M105 WeakPolarHBondContact O-CB 3.46Å; Y101-M105 VanDerWaalsContact O-CG 3.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.18Å; Y101-M105 PolarHBondContact O-N 3.32Å; Y101-M105 PolarHBondContact OH-SD 2.87Å
102Y76.5Confident77.8Confident140 Ų14093.3 Ų93.355%0.54944%0.436SS..Hα-helixtrans-57.1-44.6176.2-178.1-95.9000111.2S98 V99 M105 S106S98-Y102 WeakPolarHBondContact O-CB 3.2Å; S98-Y102 PolarHBondContact O-N 3.4Å; V99-Y102 PolarHBondContact O-N 3.49Å; Y102-M105 PolarHBondContact O-N 3.01Å; Y102-S106 PolarHBondContact O-N 3.12Å
103F70.7Confident77.9Confident40 Ų4092.9 Ų92.918%0.17544%0.437CS..Hα-helixtrans-73.4-34.7176.1-65.2-54.5000113.3Y83 V99 K100 Y101 M105 S106 K107Y83-F103 AromaticContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD2 4.05Å; Y83-F103 AromaticContact CD1-CE1 3.12Å; Y83-F103 HydrophobicContact CD1-CE1 3.12Å; Y83-F103 AromaticContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CG 4.14Å; Y83-F103 AromaticContact CD1-CZ 3.04Å; Y83-F103 HydrophobicContact CD1-CZ 3.04Å; Y83-F103 AromaticContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CE1 4.35Å; Y83-F103 AromaticContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CG 4.44Å; Y83-F103 AromaticContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CE1-CB 4.28Å; Y83-F103 AromaticContact CE1-CD1 3.12Å; Y83-F103 HydrophobicContact CE1-CD1 3.12Å; Y83-F103 AromaticContact CE1-CD2 3.62Å; Y83-F103 HydrophobicContact CE1-CD2 3.62Å; Y83-F103 AromaticContact CE1-CE1 3.14Å; Y83-F103 HydrophobicContact CE1-CE1 3.14Å; Y83-F103 AromaticContact CE1-CE2 3.6Å; Y83-F103 HydrophobicContact CE1-CE2 3.6Å; Y83-F103 AromaticContact CE1-CG 3.41Å; Y83-F103 HydrophobicContact CE1-CG 3.41Å; Y83-F103 VanDerWaalsContact CE1-CG 3.41Å; Y83-F103 AromaticContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE1-CZ 3.41Å; Y83-F103 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE2-CD1 4.32Å; Y83-F103 AromaticContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CE1 4.4Å; Y83-F103 AromaticContact CE2-CE2 3.26Å; Y83-F103 HydrophobicContact CE2-CE2 3.26Å; Y83-F103 AromaticContact CE2-CG 3.79Å; Y83-F103 HydrophobicContact CE2-CG 3.79Å; Y83-F103 AromaticContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CG-CD1 4.42Å; Y83-F103 HydrophobicContact CG-CD2 4.04Å; Y83-F103 AromaticContact CG-CE1 3.75Å; Y83-F103 HydrophobicContact CG-CE1 3.75Å; Y83-F103 AromaticContact CG-CE2 3.24Å; Y83-F103 HydrophobicContact CG-CE2 3.24Å; Y83-F103 AromaticContact CG-CZ 3.11Å; Y83-F103 HydrophobicContact CG-CZ 3.11Å; Y83-F103 AromaticContact CZ-CD1 3.49Å; Y83-F103 VanDerWaalsContact CZ-CD1 3.49Å; Y83-F103 AromaticContact CZ-CD2 3.16Å; Y83-F103 AromaticContact CZ-CE1 3.82Å; Y83-F103 AromaticContact CZ-CE2 3.47Å; Y83-F103 VanDerWaalsContact CZ-CE2 3.47Å; Y83-F103 AromaticContact CZ-CG 3.19Å; Y83-F103 AromaticContact CZ-CZ 3.83Å; Y83-F103 WeakPolarHBondContact OH-CB 3.45Å; Y83-F103 VanDerWaalsContact OH-CG 3.3Å; Y83-F103 WeakPolarHBondContact OH-CG 3.37Å; V99-F103 HydrophobicContact CG1-CD2 3.56Å; V99-F103 HydrophobicContact CG1-CE2 3.22Å; V99-F103 HydrophobicContact CG1-CZ 4.35Å; V99-F103 WeakPolarHBondContact O-CD2 3.41Å; V99-F103 WeakPolarHBondContact O-CG 3.25Å; V99-F103 PolarHBondContact O-N 3.45Å; K100-F103 PolarHBondContact O-N 3.36Å; Y101-F103 VanDerWaalsContact C-N 3.29Å; Y101-F103 PolarHBondContact O-N 2.83Å; F103-M105 VanDerWaalsContact C-N 3.3Å; F103-M105 PolarHBondContact O-N 3.25Å; F103-S106 PolarHBondContact O-N 3Å; F103-S106 VanDerWaalsContact O-N 3.13Å; F103-K107 WeakPolarHBondContact O-CG 3.34Å; F103-K107 PolarHBondContact O-N 3.27Å
104L71.3Confident78Confident68 Ų6890.5 Ų90.536%0.35643%0.43SS..Hα-helixtrans-60.4-41.9172-158.972.4000111.3K100 Y101 S106 K107 W109K100-L104 VanDerWaalsContact O-CB 3.25Å; K100-L104 WeakPolarHBondContact O-CB 3.19Å; K100-L104 PolarHBondContact O-N 3.01Å; Y101-L104 CarbonylContact O-C 3.53Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 3.36Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; L104-S106 VanDerWaalsContact C-N 3.29Å; L104-S106 PolarHBondContact O-N 3.29Å; L104-K107 HydrophobicContact CD1-CD 4.29Å; L104-K107 WeakPolarHBondContact O-CB 3.22Å; L104-K107 PolarHBondContact O-N 3.24Å; L104-W109 HydrophobicContact CD1-CZ2 3.77Å; L104-W109 HydrophobicContact CG-CZ2 4.04Å
105M70.4Confident78.2Confident61 Ų6188.9 Ų88.930%0.343%0.427SS..Hα-helixtrans-69.4-26.1175.2-72.7-155.3-69.800113Y101 Y102 F103 K107 F110Y101-M105 HydrophobicContact CD1-CE 3.38Å; Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD1-SD 3.93Å; Y101-M105 HydrophobicContact CD2-CG 4.38Å; Y101-M105 HydrophobicContact CE1-CE 3.13Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 3.18Å; Y101-M105 WeakPolarHBondContact CE1-SD 3.33Å; Y101-M105 HydrophobicContact CE2-CG 4.05Å; Y101-M105 HydrophobicContact CE2-SD 4.37Å; Y101-M105 HydrophobicContact CG-CE 4.44Å; Y101-M105 HydrophobicContact CG-CG 4.37Å; Y101-M105 WeakPolarHBondContact O-CB 3.46Å; Y101-M105 VanDerWaalsContact O-CG 3.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.18Å; Y101-M105 PolarHBondContact O-N 3.32Å; Y101-M105 PolarHBondContact OH-SD 2.87Å; Y102-M105 PolarHBondContact O-N 3.01Å; F103-M105 VanDerWaalsContact C-N 3.3Å; F103-M105 PolarHBondContact O-N 3.25Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 3.4Å; M105-F110 HydrophobicContact CB-CD1 3.75Å; M105-F110 HydrophobicContact CB-CE1 3.69Å; M105-F110 HydrophobicContact CB-CG 4.38Å; M105-F110 HydrophobicContact CB-CZ 4.31Å; M105-F110 HydrophobicContact CG-CD1 3.89Å; M105-F110 HydrophobicContact CG-CD2 4.46Å; M105-F110 HydrophobicContact CG-CE1 3.43Å; M105-F110 VanDerWaalsContact CG-CE1 3.43Å; M105-F110 HydrophobicContact CG-CE2 4.09Å; M105-F110 HydrophobicContact CG-CG 4.37Å; M105-F110 HydrophobicContact CG-CZ 3.54Å; M105-F110 VanDerWaalsContact O-CD1 3.25Å; M105-F110 WeakPolarHBondContact O-CD1 3.39Å; M105-F110 HydrophobicContact SD-CE1 3.65Å; M105-F110 HydrophobicContact SD-CZ 3.67Å
106S71.3Confident78.4Confident68 Ų6890 Ų9048%0.47643%0.428SS..Hα-helixtrans-77.8-12.7174.8-168.30000113.3Y102 F103 L104Y102-S106 PolarHBondContact O-N 3.12Å; F103-S106 PolarHBondContact O-N 3Å; F103-S106 VanDerWaalsContact O-N 3.13Å; L104-S106 VanDerWaalsContact C-N 3.29Å; L104-S106 PolarHBondContact O-N 3.29Å
107K80.5Confident78.7Confident111 Ų11190.1 Ų90.148%0.48344%0.435SS..SBendtrans-71.4146178.8-64.8-172.6170.91700111.2F103 L104 M105 W109 F110 K111F103-K107 WeakPolarHBondContact O-CG 3.34Å; F103-K107 PolarHBondContact O-N 3.27Å; L104-K107 HydrophobicContact CD1-CD 4.29Å; L104-K107 WeakPolarHBondContact O-CB 3.22Å; L104-K107 PolarHBondContact O-N 3.24Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 3.4Å; K107-W109 PolarHBondContact O-N 3.14Å; K107-F110 PolarHBondContact O-N 3.48Å; K107-K111 PolarHBondContact O-N 2.94Å; K107-K111 VanDerWaalsContact O-N 3.12Å
108W73.8Confident79Confident221 Ų22187.6 Ų87.684%0.83743%0.429SS*.Hα-helixtrans-58.6-38.9-175.3-81.54.2000114.7F110 K111 S112W108-F110 VanDerWaalsContact C-N 3.31Å; W108-F110 PolarHBondContact O-N 2.79Å; W108-K111 PolarHBondContact O-N 2.89Å; W108-S112 WeakPolarHBondContact O-CB 3.36Å; W108-S112 PolarHBondContact O-N 2.87Å; W108-S112 PolarHBondContact O-OG 3.46Å; W108-S112 VanDerWaalsContact O-OG 3.08Å
109W81.8Confident79.2Confident162 Ų16290.4 Ų90.461%0.61444%0.439SS*.Hα-helixtrans-58.7-37.4172.968.9-50.9000113.4L104 K107 L113L104-W109 HydrophobicContact CD1-CZ2 3.77Å; L104-W109 HydrophobicContact CG-CZ2 4.04Å; K107-W109 PolarHBondContact O-N 3.14Å; W109-L113 VanDerWaalsContact O-CB 3.24Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 3.48Å
110F82Confident79.4Confident49 Ų4997.3 Ų97.322%0.21547%0.469CS..Hα-helixtrans-72.6-41175.8-173.3-92.6000111.4M105 K107 W108 S112 L113 V114M105-F110 HydrophobicContact CB-CD1 3.75Å; M105-F110 HydrophobicContact CB-CE1 3.69Å; M105-F110 HydrophobicContact CB-CG 4.38Å; M105-F110 HydrophobicContact CB-CZ 4.31Å; M105-F110 HydrophobicContact CG-CD1 3.89Å; M105-F110 HydrophobicContact CG-CD2 4.46Å; M105-F110 HydrophobicContact CG-CE1 3.43Å; M105-F110 VanDerWaalsContact CG-CE1 3.43Å; M105-F110 HydrophobicContact CG-CE2 4.09Å; M105-F110 HydrophobicContact CG-CG 4.37Å; M105-F110 HydrophobicContact CG-CZ 3.54Å; M105-F110 VanDerWaalsContact O-CD1 3.25Å; M105-F110 WeakPolarHBondContact O-CD1 3.39Å; M105-F110 HydrophobicContact SD-CE1 3.65Å; M105-F110 HydrophobicContact SD-CZ 3.67Å; K107-F110 PolarHBondContact O-N 3.48Å; W108-F110 VanDerWaalsContact C-N 3.31Å; W108-F110 PolarHBondContact O-N 2.79Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 2.8Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.45Å; F110-V114 HydrophobicContact CD1-CG2 3.85Å; F110-V114 HydrophobicContact CE1-CG2 3.48Å; F110-V114 VanDerWaalsContact CE1-CG2 3.48Å; F110-V114 HydrophobicContact CE2-CG2 4.5Å; F110-V114 HydrophobicContact CZ-CG2 3.84Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.83Å
111K81.2Confident79.4Confident121 Ų12197.7 Ų97.753%0.52648%0.479SS..Hα-helixtrans-61.6-42.3174.1-60-178.387.576.30111.2K107 W108 V114 L115K107-K111 PolarHBondContact O-N 2.94Å; K107-K111 VanDerWaalsContact O-N 3.12Å; W108-K111 PolarHBondContact O-N 2.89Å; K111-V114 PolarHBondContact O-N 2.78Å; K111-L115 VanDerWaalsContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 PolarHBondContact O-N 2.89Å
112S84.7Confident79Confident77 Ų7795 Ų9554%0.53848%0.477SS..Hα-helixtrans-66.1-38.1174-65.20000112.2W108 F110 L115 C116W108-S112 WeakPolarHBondContact O-CB 3.36Å; W108-S112 PolarHBondContact O-N 2.87Å; W108-S112 PolarHBondContact O-OG 3.46Å; W108-S112 VanDerWaalsContact O-OG 3.08Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 2.8Å; S112-L115 PolarHBondContact O-N 2.69Å; S112-C116 WeakPolarHBondContact O-CB 3.31Å; S112-C116 PolarHBondContact O-N 2.79Å
113L86.3Confident78.3Confident97 Ų9791.5 Ų91.551%0.50847%0.473SS..Hα-helixtrans-63.5-47.1174.4-179.166.7000110.9W109 F110 C116 C117W109-L113 VanDerWaalsContact O-CB 3.24Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 3.48Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.45Å; L113-C116 PolarHBondContact O-N 3.2Å; L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 2.82Å; L113-C117 PolarHBondContact O-SG 2.8Å
114V85.6Confident77.9Confident64 Ų6493.6 Ų93.639%0.38849%0.492SS..Hα-helixtrans-65.1-40.5177.1173.10000111.1F110 K111 C117 T118F110-V114 HydrophobicContact CD1-CG2 3.85Å; F110-V114 HydrophobicContact CE1-CG2 3.48Å; F110-V114 VanDerWaalsContact CE1-CG2 3.48Å; F110-V114 HydrophobicContact CE2-CG2 4.5Å; F110-V114 HydrophobicContact CZ-CG2 3.84Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.83Å; K111-V114 PolarHBondContact O-N 2.78Å; V114-C117 PolarHBondContact O-N 3.46Å; V114-T118 HydrophobicContact CG1-CG2 4.3Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 WeakPolarHBondContact O-CG2 3.24Å; V114-T118 PolarHBondContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 3.08Å
115L85.3Confident77.4Confident107 Ų10794.4 Ų94.456%0.5650%0.502SS*.Hα-helixtrans-66.9-41.8176.9-159.6153.4000111K111 S112 T118 L119K111-L115 VanDerWaalsContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 PolarHBondContact O-N 2.89Å; S112-L115 PolarHBondContact O-N 2.69Å; L115-T118 WeakPolarHBondContact CA-OG1 3.23Å; L115-T118 PolarHBondContact O-OG1 3.26Å; L115-L119 HydrophobicContact CD2-CD1 3.5Å; L115-L119 VanDerWaalsContact CD2-CD1 3.5Å; L115-L119 HydrophobicContact CD2-CG 4.05Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 3.37Å
116C84.4Confident76.9Confident57 Ų5794.9 Ų94.939%0.38551%0.51SS..Hα-helixtrans-64-49.7173.8-170.50000111.1S112 L113 T118 L119 F120S112-C116 WeakPolarHBondContact O-CB 3.31Å; S112-C116 PolarHBondContact O-N 2.79Å; L113-C116 PolarHBondContact O-N 3.2Å; C116-T118 PolarHBondContact O-N 3.45Å; C116-L119 PolarHBondContact O-N 3.38Å; C116-L119 VanDerWaalsContact O-N 3.17Å; C116-F120 WeakPolarHBondContact O-CB 2.81Å; C116-F120 WeakPolarHBondContact O-CD2 3.37Å; C116-F120 PolarHBondContact O-N 3.36Å; C116-F120 WeakPolarHBondContact SG-CD2 2.97Å; C116-F120 VanDerWaalsContact SG-CE2 3.54Å
117C81.9Confident76.1Confident64 Ų6495.3 Ų95.343%0.43251%0.512SS..Hα-helixtrans-58.9-45.4177-74.60000111.4L113 V114 F120 T121L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 2.82Å; L113-C117 PolarHBondContact O-SG 2.8Å; V114-C117 PolarHBondContact O-N 3.46Å; C117-F120 PolarHBondContact O-N 2.73Å; C117-T121 WeakPolarHBondContact O-CB 3.5Å; C117-T121 VanDerWaalsContact O-CG2 3.29Å; C117-T121 WeakPolarHBondContact O-CG2 3.24Å; C117-T121 PolarHBondContact O-N 3.34Å; C117-T121 PolarHBondContact O-OG1 2.8Å
118T82.6Confident74.9Confident73 Ų7393.4 Ų93.445%0.44851%0.512SS..Hα-helixtrans-65.3-37.6176.351.30000111.9V114 L115 C116 C122V114-T118 HydrophobicContact CG1-CG2 4.3Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 WeakPolarHBondContact O-CG2 3.24Å; V114-T118 PolarHBondContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 3.08Å; L115-T118 WeakPolarHBondContact CA-OG1 3.23Å; L115-T118 PolarHBondContact O-OG1 3.26Å; C116-T118 PolarHBondContact O-N 3.45Å; T118-C122 WeakPolarHBondContact O-CA 3.49Å; T118-C122 WeakPolarHBondContact O-CB 3.33Å; T118-C122 PolarHBondContact O-N 2.84Å
119L83.4Confident74Confident111 Ų11186.5 Ų86.558%0.58150%0.497SS*.Hα-helixtrans-67.2-42173.6-72.5177.3000112.2L115 C116 C123L115-L119 HydrophobicContact CD2-CD1 3.5Å; L115-L119 VanDerWaalsContact CD2-CD1 3.5Å; L115-L119 HydrophobicContact CD2-CG 4.05Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 3.37Å; C116-L119 PolarHBondContact O-N 3.38Å; C116-L119 VanDerWaalsContact O-N 3.17Å; L119-C123 WeakPolarHBondContact O-CA 3.48Å; L119-C123 WeakPolarHBondContact O-CB 3.28Å; L119-C123 PolarHBondContact O-N 3.34Å
120F79.3Confident72.7Confident145 Ų14584.1 Ų84.164%0.63650%0.504SS*.Hα-helixtrans-72.1-41.8179.2-89-86.1000112.4C116 C117 C124C116-F120 WeakPolarHBondContact O-CB 2.81Å; C116-F120 WeakPolarHBondContact O-CD2 3.37Å; C116-F120 PolarHBondContact O-N 3.36Å; C116-F120 WeakPolarHBondContact SG-CD2 2.97Å; C116-F120 VanDerWaalsContact SG-CE2 3.54Å; C117-F120 PolarHBondContact O-N 2.73Å; F120-C124 WeakPolarHBondContact O-CB 3.36Å; F120-C124 PolarHBondContact O-N 2.79Å; F120-C124 PolarHBondContact O-SG 3.41Å
121T76.1Confident71Confident90 Ų9091 Ų9155%0.55253%0.534SS*.Hα-helixtrans-76.4-35.3177.860.80000112.2C117 C124 C125C117-T121 WeakPolarHBondContact O-CB 3.5Å; C117-T121 VanDerWaalsContact O-CG2 3.29Å; C117-T121 WeakPolarHBondContact O-CG2 3.24Å; C117-T121 PolarHBondContact O-N 3.34Å; C117-T121 PolarHBondContact O-OG1 2.8Å; T121-C124 CarbonylContact O-C 3.57Å; T121-C124 PolarHBondContact O-N 2.83Å; T121-C125 PolarHBondContact O-N 2.75Å
122C69.7Low69.6Low68 Ų6888.1 Ų88.146%0.45953%0.528SS..Hα-helixtrans-71-32.4171.5-169.50000111.2T118 C125 C126T118-C122 WeakPolarHBondContact O-CA 3.49Å; T118-C122 WeakPolarHBondContact O-CB 3.33Å; T118-C122 PolarHBondContact O-N 2.84Å; C122-C125 PolarHBondContact O-N 2.8Å; C122-C126 VanDerWaalsContact O-CB 3.23Å; C122-C126 WeakPolarHBondContact O-CB 3.08Å; C122-C126 PolarHBondContact O-N 3.33Å
123C62Low67.9Low67 Ų6789.8 Ų89.845%0.45354%0.539SS..Hα-helixtrans-66-40.6168.9-171.90000110.7L119 C125 C127L119-C123 WeakPolarHBondContact O-CA 3.48Å; L119-C123 WeakPolarHBondContact O-CB 3.28Å; L119-C123 PolarHBondContact O-N 3.34Å; C123-C125 PolarHBondContact O-N 3.23Å; C123-C127 WeakPolarHBondContact O-CA 3.5Å; C123-C127 WeakPolarHBondContact O-CB 3.29Å; C123-C127 PolarHBondContact O-N 3.07Å; C123-C127 PolarHBondContact O-SG 3.06Å; C123-C127 VanDerWaalsContact O-SG 3.4Å
124C62.1Low66.3Low85 Ų8588.8 Ų88.857%0.57455%0.551SS**Hα-helixtrans-66.5-31.2172.6-70.70000113.4F120 T121 C128F120-C124 WeakPolarHBondContact O-CB 3.36Å; F120-C124 PolarHBondContact O-N 2.79Å; F120-C124 PolarHBondContact O-SG 3.41Å; T121-C124 CarbonylContact O-C 3.57Å; T121-C124 PolarHBondContact O-N 2.83Å; C124-C128 WeakPolarHBondContact O-CB 3.45Å; C124-C128 PolarHBondContact O-N 3.34Å; C124-C128 PolarHBondContact O-SG 3.17Å
125C61.9Low64.9Low85 Ų8594.9 Ų94.957%0.57457%0.573SS**Hα-helixtrans-79.1-48.2172.9-89.40000112.5T121 C122 C123 C129T121-C125 PolarHBondContact O-N 2.75Å; C122-C125 PolarHBondContact O-N 2.8Å; C123-C125 PolarHBondContact O-N 3.23Å; C125-C129 VanDerWaalsContact O-CB 3.28Å; C125-C129 WeakPolarHBondContact O-CB 3.35Å; C125-C129 PolarHBondContact O-N 2.93Å; C125-C129 PolarHBondContact O-SG 2.87Å
126C58.2Low63.2Low70 Ų7094.6 Ų94.647%0.47358%0.579SS.*Hα-helixtrans-72.5-37.4-178.2-75.10000113.1C122 C129 C130C122-C126 VanDerWaalsContact O-CB 3.23Å; C122-C126 WeakPolarHBondContact O-CB 3.08Å; C122-C126 PolarHBondContact O-N 3.33Å; C126-C129 PolarHBondContact O-N 3.49Å; C126-C130 WeakPolarHBondContact O-CB 3.06Å; C126-C130 PolarHBondContact O-N 3.4Å; C126-C130 PolarHBondContact O-SG 2.82Å; C126-C130 VanDerWaalsContact O-SG 3.36Å
127C54.8Low61.7Low77 Ų7799 Ų9952%0.5259%0.591SS.*Hα-helixtrans-76.5-28.6176-63.70000112.2C123 F131C123-C127 WeakPolarHBondContact O-CA 3.5Å; C123-C127 WeakPolarHBondContact O-CB 3.29Å; C123-C127 PolarHBondContact O-N 3.07Å; C123-C127 PolarHBondContact O-SG 3.06Å; C123-C127 VanDerWaalsContact O-SG 3.4Å; C127-F131 PolarHBondContact O-N 2.84Å
128C55.4Low60.8Low71 Ų71100.5 Ų100.548%0.4860%0.6SS.*Hα-helixtrans-73.5-36.9168.9-68.60000111.7C124 C132C124-C128 WeakPolarHBondContact O-CB 3.45Å; C124-C128 PolarHBondContact O-N 3.34Å; C124-C128 PolarHBondContact O-SG 3.17Å; C128-C132 WeakPolarHBondContact O-CA 3.46Å; C128-C132 WeakPolarHBondContact O-CB 3.44Å; C128-C132 PolarHBondContact O-N 2.97Å; C128-C132 PolarHBondContact O-SG 3.34Å; C128-C132 VanDerWaalsContact O-SG 3.34Å
129C54.7Low60Low77 Ų77102 Ų10252%0.5261%0.612SS.*Hα-helixtrans-74.2-30.6178.3-66.40000113.5C125 C126 C133C125-C129 VanDerWaalsContact O-CB 3.28Å; C125-C129 WeakPolarHBondContact O-CB 3.35Å; C125-C129 PolarHBondContact O-N 2.93Å; C125-C129 PolarHBondContact O-SG 2.87Å; C126-C129 PolarHBondContact O-N 3.49Å; C129-C133 WeakPolarHBondContact O-CB 3.46Å; C129-C133 PolarHBondContact O-SG 3.46Å
130C55Low58.9Low112 Ų112102.1 Ų102.176%0.75761%0.613SS**Hα-helixtrans-84.3-21.5179.3-68.50000114.2C126C126-C130 WeakPolarHBondContact O-CB 3.06Å; C126-C130 PolarHBondContact O-N 3.4Å; C126-C130 PolarHBondContact O-SG 2.82Å; C126-C130 VanDerWaalsContact O-SG 3.36Å
131F47.4Very low57.8Low194 Ų194101.8 Ų101.885%0.85162%0.618SS**Hα-helixtrans-109.9-12.5177.2-136.5-100.3000114.5C127C127-F131 PolarHBondContact O-N 2.84Å
132C50.2Low56.9Low60 Ų60106.1 Ų106.141%0.40563%0.631SS.*Hα-helixtrans-98.7-8.2174.6-59.10000114.9C128 G134 K135 C136C128-C132 WeakPolarHBondContact O-CA 3.46Å; C128-C132 WeakPolarHBondContact O-CB 3.44Å; C128-C132 PolarHBondContact O-N 2.97Å; C128-C132 PolarHBondContact O-SG 3.34Å; C128-C132 VanDerWaalsContact O-SG 3.34Å; C132-G134 PolarHBondContact O-N 3.02Å; C132-K135 PolarHBondContact O-N 3.3Å; C132-K135 VanDerWaalsContact O-N 3.14Å; C132-C136 PolarHBondContact O-N 3.4Å
133C50Low56.3Low112 Ų112111.8 Ų111.876%0.75765%0.651SS**THydrogen-bonded Turntrans-69.44.1177.6-81.30000115.3C129C129-C133 WeakPolarHBondContact O-CB 3.46Å; C129-C133 PolarHBondContact O-SG 3.46Å
134G53.7Low56Low75 Ų75115.1 Ų115.177%0.77366%0.664SS**THydrogen-bonded Turntrans-104.4-6.717000000115.4C132C132-G134 PolarHBondContact O-N 3.02Å
135K55.8Low55.3Low192 Ų192121.4 Ų121.484%0.83568%0.677SS**THydrogen-bonded Turntrans-133.48-174.2-99.7-90.2169.5650114C132C132-K135 PolarHBondContact O-N 3.3Å; C132-K135 VanDerWaalsContact O-N 3.14Å
136C49.5Very low54.9Low101 Ų101124.9 Ų124.968%0.68269%0.686SS**  trans-105.257.2164.1-650000109.4C132 P138C132-C136 PolarHBondContact O-N 3.4Å; C136-P138 VanDerWaalsContact O-CD 3.29Å; C136-P138 WeakPolarHBondContact O-CD 3.49Å
137K52.4Low54.9Low149 Ų149129.7 Ų129.765%0.64870%0.695SS**  trans-79.2108.1153.2-176.7168.116773.20103.8D140K137-D140 WeakPolarHBondContact CE-OD2 3.4Å; K137-D140 IonicContact NZ-OD1 3.83Å; K137-D140 IonicContact NZ-OD2 2.64Å; K137-D140 PolarHBondContact NZ-OD2 2.92Å
138P63.9Low55.4Low96 Ų96130.2 Ų130.262%0.62370%0.696SS**  trans-53.1137.5163.625.2-31000106.2C136 D140C136-P138 VanDerWaalsContact O-CD 3.29Å; C136-P138 WeakPolarHBondContact O-CD 3.49Å; P138-D140 PolarHBondContact O-N 3.25Å
139P65Low56.1Low106 Ų106130.4 Ų130.469%0.68869%0.692SS**  trans-49.6132.4171.323.7-31.8000107D141P139-D141 PolarHBondContact O-N 3.12Å
140D60.9Low56.8Low113 Ų113130.1 Ų130.160%0.60469%0.689SS**  trans-63.793.5168.7-68.4-72.3000105.3K137 P138 E142K137-D140 WeakPolarHBondContact CE-OD2 3.4Å; K137-D140 IonicContact NZ-OD1 3.83Å; K137-D140 IonicContact NZ-OD2 2.64Å; K137-D140 PolarHBondContact NZ-OD2 2.92Å; P138-D140 PolarHBondContact O-N 3.25Å; D140-E142 PolarHBondContact O-N 3.46Å
141D54.8Low57.4Low138 Ų138132 Ų13274%0.73869%0.687SS**  trans-74.673.7167.654.6-60.2000107.8P139 E143P139-D141 PolarHBondContact O-N 3.12Å; D141-E143 PolarHBondContact O-N 3.1Å
142E57.8Low58.5Low180 Ų180128.4 Ų128.484%0.84168%0.676SS**THydrogen-bonded Turntrans-737.9179.3-126.4-173.8141.700113.7D140D140-E142 PolarHBondContact O-N 3.46Å
143E57.8Low59.4Low188 Ų188129.6 Ų129.688%0.87968%0.678SS**THydrogen-bonded Turntrans-142.924.5-168-73.4-153.5128.700118.8D141D141-E143 PolarHBondContact O-N 3.1Å
144N54.9Low60.4Low136 Ų136131 Ų13173%0.72767%0.673SS**  trans-154.357.8164.2-151-18.1000115.8
145Y46.4Very low61.2Low217 Ų217130 Ų13085%0.85166%0.658SS**  trans-10491.8152.7-141.4-91.8000107.3Y147Y145-Y147 PolarHBondContact O-N 3.07Å
146Q55.2Low61.6Low159 Ų159127.4 Ų127.474%0.74365%0.649SS**  trans-62.793164.7-174.88811.100106.6V148Q146-V148 PolarHBondContact O-N 3.48Å
147Y57.3Low62.5Low170 Ų170126.7 Ų126.767%0.66764%0.637SS**  trans-60.4109.6172.1-175.4-95.2000107.4Y145 D149Y145-Y147 PolarHBondContact O-N 3.07Å; Y147-D149 PolarHBondContact O-N 3.37Å
148V65.1Low63.4Low89 Ų89128.7 Ų128.754%0.53964%0.641SS.*  trans-76.5113.7174-179.20000106.5Q146 L153Q146-V148 PolarHBondContact O-N 3.48Å; V148-L153 HydrophobicContact CG1-CB 4.19Å
149D70.4Confident63.5Low74 Ų74127.6 Ų127.640%0.39664%0.64SS.*  trans-63.8128.3174.9-167.4-82.7000109.3Y147 E151 D152 L153Y147-D149 PolarHBondContact O-N 3.37Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CB 3.29Å; D149-E151 PolarHBondContact OD1-N 3.14Å; D149-E151 VanDerWaalsContact OD1-N 3.12Å; D149-D152 PolarHBondContact O-N 3.47Å; D149-D152 VanDerWaalsContact O-N 3.13Å; D149-L153 PolarHBondContact O-N 3.13Å
150P69.6Low63.4Low72 Ų72129 Ų12947%0.46864%0.641SS.*Hα-helixtrans-56-27.2-176-26.634.4000114.6L153 E154P150-L153 PolarHBondContact O-N 3Å; P150-E154 PolarHBondContact O-N 3.24Å; P150-E154 VanDerWaalsContact O-N 3.07Å
151E66.9Low63.4Low152 Ų152131 Ų13171%0.7165%0.647SS**Hα-helixtrans-71.4-33.7-179.3-62.3-174159.700112.1D149 A155D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CB 3.29Å; D149-E151 PolarHBondContact OD1-N 3.14Å; D149-E151 VanDerWaalsContact OD1-N 3.12Å; E151-A155 WeakPolarHBondContact O-CB 3.26Å; E151-A155 PolarHBondContact O-N 3.39Å
152D70.5Confident63.5Low117 Ų117131.3 Ų131.363%0.62665%0.649SS**Hα-helixtrans-72.5-35.4175.9-92.6-25.7000111.7D149 A155 Q156D149-D152 PolarHBondContact O-N 3.47Å; D149-D152 VanDerWaalsContact O-N 3.13Å; D152-A155 PolarHBondContact O-N 2.93Å; D152-Q156 WeakPolarHBondContact O-CB 3.02Å; D152-Q156 PolarHBondContact O-N 3.38Å
153L69.2Low63.2Low85 Ų85125.3 Ų125.345%0.44564%0.635SS.*Hα-helixtrans-69.8-39.4176.4-169.963.2000111.3V148 D149 P150 Q156 I157V148-L153 HydrophobicContact CG1-CB 4.19Å; D149-L153 PolarHBondContact O-N 3.13Å; P150-L153 PolarHBondContact O-N 3Å; L153-Q156 PolarHBondContact O-N 2.94Å; L153-I157 HydrophobicContact CG-CD1 4.02Å; L153-I157 WeakPolarHBondContact O-CB 3.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.37Å
154E70.5Confident62.7Low141 Ų141119.7 Ų119.766%0.65963%0.627SS**Hα-helixtrans-67.4-35.7172.5-79.8-170.1132.300112.4P150 R158P150-E154 PolarHBondContact O-N 3.24Å; P150-E154 VanDerWaalsContact O-N 3.07Å; E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.49Å; E154-R158 PolarHBondContact O-N 2.96Å
155A70.6Confident62.3Low54 Ų54119.4 Ų119.445%0.44663%0.631SS.*Hα-helixtrans-65.5-38.6173.400000112E151 D152 A159E151-A155 WeakPolarHBondContact O-CB 3.26Å; E151-A155 PolarHBondContact O-N 3.39Å; D152-A155 PolarHBondContact O-N 2.93Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.43Å
156Q63.8Low62.2Low139 Ų139114.7 Ų114.765%0.6563%0.625SS**Hα-helixtrans-68.7-44176.1-129.9167.639.300112D152 L153 R158 A159 D160D152-Q156 WeakPolarHBondContact O-CB 3.02Å; D152-Q156 PolarHBondContact O-N 3.38Å; L153-Q156 PolarHBondContact O-N 2.94Å; Q156-R158 VanDerWaalsContact C-N 3.3Å; Q156-R158 PolarHBondContact O-N 2.93Å; Q156-A159 PolarHBondContact O-N 3.36Å; Q156-D160 WeakPolarHBondContact O-CB 3.2Å; Q156-D160 PolarHBondContact O-N 3.45Å
157I68.5Low61.8Low85 Ų85113.6 Ų113.644%0.43663%0.629SS.*Hα-helixtrans-65.7-34.1176.6-67.8164000111.5L153 Q161L153-I157 HydrophobicContact CG-CD1 4.02Å; L153-I157 WeakPolarHBondContact O-CB 3.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.37Å; I157-Q161 WeakPolarHBondContact O-CG 3.13Å; I157-Q161 PolarHBondContact O-N 3.01Å
158R72.2Confident61.3Low192 Ų192112.1 Ų112.173%0.72563%0.631SS**Hα-helixtrans-69.9-41.9173.5-173.4-178.2-73.2176.7-0.1111.3E154 Q156 D160 Q161E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.49Å; E154-R158 PolarHBondContact O-N 2.96Å; Q156-R158 VanDerWaalsContact C-N 3.3Å; Q156-R158 PolarHBondContact O-N 2.93Å; R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 3.24Å; R158-Q161 PolarHBondContact O-N 2.95Å
159A66.3Low60.8Low72 Ų72114.9 Ų114.960%0.59564%0.641SS**Hα-helixtrans-65.1-34.717700000112.8A155 Q156A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.43Å; Q156-A159 PolarHBondContact O-N 3.36Å
160D62.5Low59.6Low136 Ų136118.3 Ų118.373%0.72766%0.658SS**Hα-helixtrans-76.8-24.4179.1-131.9-110.7000113Q156 R158Q156-D160 WeakPolarHBondContact O-CB 3.2Å; Q156-D160 PolarHBondContact O-N 3.45Å; R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 3.24Å
161Q60.8Low58.1Low155 Ų155123.2 Ų123.272%0.72468%0.675SS**Hα-helixtrans-77.3-19.4177.6-84.4-177.860.500114.4I157 R158I157-Q161 WeakPolarHBondContact O-CG 3.13Å; I157-Q161 PolarHBondContact O-N 3.01Å; R158-Q161 PolarHBondContact O-N 2.95Å
162D57Low57.3Low145 Ų145122.1 Ų122.178%0.77568%0.681SS**SBendtrans-97.4-5.3178.3-76.1-62.8000113.7
163G51.3Low55.9Low54 Ų54121.3 Ų121.356%0.55769%0.69SS**SBendtrans-114.690.1179.300000112.3
164G47.5Very low54.6Low69 Ų69123.1 Ų123.171%0.71171%0.71SS**  trans-56.2151.8-166.500000118.7
165T46.3Very low53.2Low131 Ų131123.4 Ų123.480%0.80472%0.716SS**  trans90.486.3145.5-42.40000118.3
166T43.7Very low51.6Low118 Ų118128.7 Ų128.772%0.72474%0.736SS**  159.4119.111244.20000111.2I168T166-I168 PolarHBondContact O-N 2.84Å
167V46.8Very low50.4Low136 Ų136125.4 Ų125.482%0.82474%0.739SS**  trans-76.3107.2172.7177.80000108.6I169V167-I169 HydrophobicContact CG1-CG1 4.17Å; V167-I169 PolarHBondContact O-N 3.33Å
168I47Very low49.3Very low138 Ų138127 Ų12771%0.70876%0.755SS**  trans-80.8103.2174.7-57.6-178.5000108.8T166 I170T166-I168 PolarHBondContact O-N 2.84Å; I168-I170 HydrophobicContact CG2-CD1 3.95Å; I168-I170 HydrophobicContact CG2-CG1 3.94Å
169I54.8Low47.6Very low148 Ų148126.8 Ų126.876%0.75976%0.763SS**  trans-91.8103.4166.2-59.6173.4000107.6V167V167-I169 HydrophobicContact CG1-CG1 4.17Å; V167-I169 PolarHBondContact O-N 3.33Å
170I46.2Very low45.8Very low145 Ų145129.8 Ų129.874%0.74477%0.774SS**  trans-142.3113.3163.6-50.4173.6000109.3I168I168-I170 HydrophobicContact CG2-CD1 3.95Å; I168-I170 HydrophobicContact CG2-CG1 3.94Å
171Q38.4Very low44.7Very low176 Ų176128.4 Ų128.482%0.82277%0.772SS**PPolyproline II helixtrans-82.5142.6163.8-74.8-179.7-13.200109.4A173Q171-A173 PolarHBondContact O-N 3.18Å
172P49.6Very low43.4Very low129 Ų129129.7 Ų129.784%0.83878%0.778SS**PPolyproline II helixtrans-77.9124.1-178.830.5-32000111.3
173A41.2Very low42.2Very low99 Ų99130.8 Ų130.882%0.81878%0.778SS**PPolyproline II helixtrans-91.3144.2169.400000110.7Q171Q171-A173 PolarHBondContact O-N 3.18Å
174S41.2Very low41.5Very low124 Ų124135.8 Ų135.887%0.86779%0.787SS**PPolyproline II helixtrans-59.4136.2-175.8-36.90000113.6
175D41.8Very low41.7Very low146 Ų146137.1 Ų137.178%0.78179%0.786SS**PPolyproline II helixtrans-56.9134.2173.5-156.2-89.2000112.6
176L37.7Very low41.8Very low165 Ų165140.3 Ų140.386%0.86479%0.788SS**  trans179.9114.4133.1-90.9170.8000107.8
177G38.5Very low42Very low70 Ų70140.7 Ų140.772%0.72279%0.793SS**  trans-71.9-162.1-179.900000115
178P45.1Very low42.4Very low119 Ų119141.7 Ų141.777%0.77379%0.792SS**  cis-134.2163.34.343.3-26.2000115.9
179E35.2Very low42.7Very low188 Ų188140.7 Ų140.788%0.87980%0.795SS**  trans65.7111.4153.4-42.2-129.7101.300120.6
180T28.4Very low43.2Very low135 Ų135141 Ų14183%0.82880%0.797SS**  trans-56.5171.1161.329.10000114.8
181P40.8Very low43.8Very low106 Ų106140.1 Ų140.169%0.68880%0.801SS**  cis-138.7169.119.536.1-14.3000117.4
182E33.4Very low45.3Very low182 Ų182139.9 Ų139.985%0.8580%0.802SS**  trans104.1130.7152-53.5-160.1102.700120
183E32.3Very low45.9Very low168 Ų168139.7 Ų139.779%0.78580%0.801SS**  trans92.988.8152-118.1177.397.400120.8
184Q35.8Very low46.9Very low159 Ų159143.5 Ų143.574%0.74380%0.804SS**  7291.8118.1-156.2164.14100119.8
185S50.7Low48.4Very low98 Ų98143.1 Ų143.169%0.68580%0.798SS**  trans39.4110.5130.566.40000119.9
186K49.1Very low49.6Very low197 Ų197141.4 Ų141.486%0.85780%0.795SS**  trans-163.1131.1137.5-106.2161.9-169.3178.50110.8
187P47.8Very low50.4Low126 Ų126139.9 Ų139.982%0.81880%0.795SS**PPolyproline II helixtrans-70.4137.7175.326.1-30.1000111.4
188I54.9Low51.1Low157 Ų157145.1 Ų145.181%0.80580%0.8SS**PPolyproline II helixtrans-72.5127174.8-59.9162.3000108.2L190I188-L190 PolarHBondContact O-N 2.64Å
189P53.7Low51.1Low117 Ų117145.4 Ų145.476%0.7680%0.802SS**PPolyproline II helixtrans-71.8129.8178.6-7.321.7000110.9
190L65.1Low51.3Low155 Ų155145.8 Ų145.881%0.81280%0.804SS**PPolyproline II helixtrans-69.2138.8168.8-67.6169.5000110I188 M192I188-L190 PolarHBondContact O-N 2.64Å; L190-M192 PolarHBondContact O-N 3.19Å
191P60Low52.2Low126 Ų126144.3 Ų144.382%0.81880%0.799SS**PPolyproline II helixtrans-69122.4173.126.4-29.8000110
192M69.8Low52.7Low172 Ų172144.6 Ų144.685%0.84780%0.801SS**PPolyproline II helixtrans-74.7153.8178.5-68.3-167.9-79.900112.1L190L190-M192 PolarHBondContact O-N 3.19Å
193P62Low53.3Low125 Ų125142.2 Ų142.281%0.81280%0.801SS**PPolyproline II helixtrans-64.1137.6172.7-1428000111.1
194M61.5Low53.7Low179 Ų179139.6 Ų139.688%0.88280%0.802SS**PPolyproline II helixtrans-62.3137.2177.1-67.9-173.8-69.300111.3
195P72.9Confident53.8Low115 Ų115136 Ų13675%0.74780%0.799SS**PPolyproline II helixtrans-71.8152.817529.3-33.5000111.8
196P65.9Low53.2Low111 Ų111139.5 Ų139.572%0.72181%0.81SS**PPolyproline II helixtrans-66.6150.2174.229.3-33.1000110.7E198P196-E198 PolarHBondContact O-N 2.8Å
197P55.8Low52.6Low132 Ų132136.4 Ų136.486%0.85781%0.808SS**PPolyproline II helixtrans-66.9121-179.526.6-32.5000110.7
198E53.8Low52Low180 Ų180135.3 Ų135.384%0.84181%0.81SS**PPolyproline II helixtrans-70.2149.3173.3-88.7-17912700111.9P196 Q200P196-E198 PolarHBondContact O-N 2.8Å; E198-Q200 PolarHBondContact O-N 2.94Å
199P44.7Very low51Low125 Ų125131.3 Ų131.381%0.81281%0.807SS**PPolyproline II helixtrans-71.2128.7-179.6-6.623.1000110.5S201P199-S201 PolarHBondContact O-N 3.27Å; P199-S201 VanDerWaalsContact O-N 3.14Å
200Q39.4Very low50.2Low197 Ų197135.3 Ų135.392%0.92182%0.815SS**  trans-68.5111.8172-64.2-178.25.900109.6E198E198-Q200 PolarHBondContact O-N 2.94Å
201S46.3Very low49.1Very low104 Ų104136.6 Ų136.673%0.72782%0.817SS**PPolyproline II helixtrans-69.6144.4165.851.80000110.6P199P199-S201 PolarHBondContact O-N 3.27Å; P199-S201 VanDerWaalsContact O-N 3.14Å
202P52.8Low48Very low112 Ų112137.9 Ų137.973%0.72782%0.817SS**PPolyproline II helixtrans-71.3151.5-176.330.2-34.8000111.8S204P202-S204 PolarHBondContact O-N 3.48Å
203P45.1Very low47.1Very low131 Ų131134.7 Ų134.785%0.85181%0.81SS**PPolyproline II helixtrans-67.7123.5170.626.7-31000110.5
204S41.6Very low46.1Very low114 Ų114140 Ų14080%0.79781%0.813SS**PPolyproline II helixtrans-57.3147.7172.4-710000113P202P202-S204 PolarHBondContact O-N 3.48Å
205A38.1Very low45Very low83 Ų83138.5 Ų138.569%0.68681%0.809SS**PPolyproline II helixtrans-51.1136.8170.300000113.4
206N37.7Very low43.5Very low172 Ų172137.4 Ų137.492%0.9280%0.804SS**  trans-105.8116.2149.5-72.2-28.5000107
207T36.7Very low42.5Very low131 Ų131139.5 Ų139.580%0.80481%0.808SS**  trans-118.9148.5171.2-64.20000108.6
208A35.4Very low42Very low104 Ų104140.9 Ų140.986%0.8680%0.803SS**  trans87.1121.2173.800000114.2
209G32.7Very low41.4Very low72 Ų72139.4 Ų139.474%0.74280%0.796SS**  cis149.81316.600000107.2
210E37Very low41.8Very low201 Ų201138.4 Ų138.494%0.93979%0.792SS**  trans-150.2115.8155.5-158130.390.400108.8
211E41.1Very low42.2Very low183 Ų183142.4 Ų142.486%0.85581%0.807SS**  trans-74143.5175.9-63.61768100111
212N37.5Very low41.9Very low152 Ų152144.4 Ų144.481%0.81381%0.811SS**  -177.5168.4117.9-124.1-28.4000112.1
213P50.7Low41.4Very low106 Ų106146.1 Ų146.169%0.68882%0.815SS**  -120.9171.3-11639.1-20.3000113.9
214R40.7Very low41.2Very low237 Ų237146.9 Ų146.989%0.89481%0.813SS**  trans-37.5136.5162-75.5173171162.3-2.9112.6
215D38.7Very low41.2Very low146 Ų146148.8 Ų148.878%0.78181%0.814SS**  -164.3142.7107.1-127.3-53.5000114.2
216S41Very low41.3Very low92 Ų92152.9 Ų152.964%0.64382%0.822SS**  trans91.6125.9138.2-76.50000123.9
217L45.4Very low41.6Very low156 Ų156151.7 Ų151.782%0.81782%0.815SS**  trans87.3109.1159.3-84.985.6000118.2
218Q44.8Very low41.9Very low161 Ų161153.1 Ų153.175%0.75282%0.816SS**  45.7131.967.7-80.9176.4-80.300111.7
219E41.5Very low42.4Very low149 Ų149156.9 Ų156.970%0.69681%0.813SS**  cis-173.1165.124.2-129.3176.89300108.1
220S54.3Low43.2Very low103 Ų103164 Ų16472%0.7282%0.819SS**  trans22.7115.2142.1-57.30000120.4
221K46.1Very low43.8Very low282 Ų282160.6 Ų160.6100%1.22681%0.808SS**  157.80111.4-167.8166.3-175179.90112.1

Retrieved 221 of 221 residues in 487 ms (Link to these results)