A0A077ZIB6_TRITR Loading...

RabGAP-TBC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 365 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
1M40Very low48.6Very low173 Ų17364.5 Ų64.585%0.85232%0.324SS*.  0130.70-90.3179.516400107.6S5 R6M1-S5 WeakPolarHBondContact CG-OG 3.45Å; M1-R6 HydrophobicContact CB-CG 4.4Å; M1-R6 HydrophobicContact SD-CG 4.32Å
2S43.5Very low48.7Very low63 Ų6363.3 Ų63.344%0.44132%0.322SS..  trans-61156.8170.375.60000109.6V4 S5 R6S2-V4 PolarHBondContact O-N 3.41Å; S2-V4 PolarHBondContact OG-N 3.11Å; S2-S5 WeakPolarHBondContact O-CB 3.41Å; S2-S5 PolarHBondContact O-N 3.29Å; S2-S5 PolarHBondContact OG-N 3.21Å; S2-S5 VanDerWaalsContact OG-N 3.15Å; S2-R6 PolarHBondContact O-N 3.05Å; S2-R6 VanDerWaalsContact O-N 3.11Å
3I45.2Very low49Very low62 Ų6266.6 Ų66.632%0.31835%0.348SS..Hα-helixtrans-50.6-40.2174.3-83166.8000110R6 F7 I313I3-R6 PolarHBondContact O-N 3.23Å; I3-F7 VanDerWaalsContact O-CB 3.23Å; I3-F7 WeakPolarHBondContact O-CB 3.5Å; I3-F7 PolarHBondContact O-N 3.03Å; I3-I313 HydrophobicContact CG2-CD1 4.22Å; I3-I313 HydrophobicContact CG2-CG1 3.72Å
4V44.1Very low49.1Very low19 Ų1964.9 Ų64.912%0.11534%0.336CS..Hα-helixtrans-60.9-44.4174.71750000112.5S2 R6 F7 F8 D318S2-V4 PolarHBondContact O-N 3.41Å; S2-V4 PolarHBondContact OG-N 3.11Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 2.98Å; V4-F7 WeakPolarHBondContact O-CB 3.5Å; V4-F7 PolarHBondContact O-N 3.33Å; V4-F8 HydrophobicContact CG1-CD2 3.41Å; V4-F8 VanDerWaalsContact CG1-CD2 3.41Å; V4-F8 HydrophobicContact CG1-CE2 3.51Å; V4-F8 WeakPolarHBondContact O-CB 3.49Å; V4-F8 WeakPolarHBondContact O-CD2 3.42Å; V4-F8 PolarHBondContact O-N 2.69Å; V4-D318 HydrophobicContact CG2-CB 3.31Å; V4-D318 VanDerWaalsContact CG2-OD1 3.23Å; V4-D318 WeakPolarHBondContact CG2-OD1 3.43Å
5S47.5Very low49.1Very low44 Ų4461.3 Ų61.331%0.30832%0.319SS..Hα-helixtrans-64.5-37178179.30000112.8M1 S2 S9M1-S5 WeakPolarHBondContact CG-OG 3.45Å; S2-S5 WeakPolarHBondContact O-CB 3.41Å; S2-S5 PolarHBondContact O-N 3.29Å; S2-S5 PolarHBondContact OG-N 3.21Å; S2-S5 VanDerWaalsContact OG-N 3.15Å; S5-S9 WeakPolarHBondContact O-CB 3.45Å; S5-S9 PolarHBondContact O-N 3.39Å; S5-S9 PolarHBondContact O-OG 3.27Å
6R51.5Low48.7Very low146 Ų14667.2 Ų67.255%0.55135%0.351SS*.Hα-helixtrans-68.2-44.7171-97.2-176.5176.6178.3-1.2111.6M1 S2 I3 V4 S9 Y10 Y346M1-R6 HydrophobicContact CB-CG 4.4Å; M1-R6 HydrophobicContact SD-CG 4.32Å; S2-R6 PolarHBondContact O-N 3.05Å; S2-R6 VanDerWaalsContact O-N 3.11Å; I3-R6 PolarHBondContact O-N 3.23Å; V4-R6 VanDerWaalsContact C-N 3.34Å; V4-R6 PolarHBondContact O-N 2.98Å; R6-S9 WeakPolarHBondContact O-CA 3.35Å; R6-S9 VanDerWaalsContact O-CB 3.32Å; R6-S9 WeakPolarHBondContact O-CB 3.45Å; R6-S9 PolarHBondContact O-N 2.97Å; R6-S9 VanDerWaalsContact O-N 3.1Å; R6-Y10 VanDerWaalsContact O-CD2 3.27Å; R6-Y10 WeakPolarHBondContact O-CD2 3.31Å; R6-Y10 PolarHBondContact O-N 2.75Å; R6-Y10 VanDerWaalsContact O-N 3.08Å; R6-Y346 HydrophobicContact CB-CE2 4.29Å
7F53Low48.5Very low9 Ų972 Ų724%0.03938%0.377CS..Hα-helixtrans-58.6-48.9177.7177.7-101.4000111.8I3 V4 S9 Y10 F11 V339 A342 M343I3-F7 VanDerWaalsContact O-CB 3.23Å; I3-F7 WeakPolarHBondContact O-CB 3.5Å; I3-F7 PolarHBondContact O-N 3.03Å; V4-F7 WeakPolarHBondContact O-CB 3.5Å; V4-F7 PolarHBondContact O-N 3.33Å; F7-S9 VanDerWaalsContact C-N 3.29Å; F7-S9 PolarHBondContact O-N 2.87Å; F7-Y10 WeakPolarHBondContact O-CB 3.32Å; F7-Y10 PolarHBondContact O-N 3.1Å; F7-Y10 VanDerWaalsContact O-N 3.1Å; F7-F11 PolarHBondContact O-N 3.49Å; F7-V339 HydrophobicContact CE1-CG1 3.88Å; F7-V339 HydrophobicContact CZ-CB 4.25Å; F7-V339 HydrophobicContact CZ-CG1 3.53Å; F7-V339 WeakPolarHBondContact CZ-O 3.5Å; F7-A342 HydrophobicContact CD2-CB 4.37Å; F7-A342 HydrophobicContact CE2-CB 3.52Å; F7-A342 HydrophobicContact CZ-CB 3.79Å; F7-M343 HydrophobicContact CD2-CG 3.98Å; F7-M343 HydrophobicContact CE2-CB 4.14Å; F7-M343 HydrophobicContact CE2-CG 3.14Å; F7-M343 HydrophobicContact CE2-SD 4.3Å; F7-M343 HydrophobicContact CZ-CG 3.65Å; F7-M343 HydrophobicContact CZ-SD 4.36Å
8F55Low48.3Very low32 Ų3270.7 Ų70.714%0.1437%0.367CS..Hα-helixtrans-60.8-39.1173.5-89.9-79.4000110.9V4 Y10 F11 V12 C22V4-F8 HydrophobicContact CG1-CD2 3.41Å; V4-F8 VanDerWaalsContact CG1-CD2 3.41Å; V4-F8 HydrophobicContact CG1-CE2 3.51Å; V4-F8 WeakPolarHBondContact O-CB 3.49Å; V4-F8 WeakPolarHBondContact O-CD2 3.42Å; V4-F8 PolarHBondContact O-N 2.69Å; F8-Y10 VanDerWaalsContact C-N 3.26Å; F8-Y10 PolarHBondContact O-N 3.1Å; F8-F11 WeakPolarHBondContact O-CB 2.95Å; F8-F11 PolarHBondContact O-N 3.4Å; F8-F11 VanDerWaalsContact O-N 3.1Å; F8-V12 WeakPolarHBondContact O-CB 3.17Å; F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.25Å; F8-C22 HydrophobicContact CE1-CB 4.05Å
9S51.6Low47.7Very low55 Ų5574.6 Ų74.639%0.38538%0.381SS..Hα-helixtrans-58.4-37.9174.9-57.90000112.5S5 R6 F7 V13S5-S9 WeakPolarHBondContact O-CB 3.45Å; S5-S9 PolarHBondContact O-N 3.39Å; S5-S9 PolarHBondContact O-OG 3.27Å; R6-S9 WeakPolarHBondContact O-CA 3.35Å; R6-S9 VanDerWaalsContact O-CB 3.32Å; R6-S9 WeakPolarHBondContact O-CB 3.45Å; R6-S9 PolarHBondContact O-N 2.97Å; R6-S9 VanDerWaalsContact O-N 3.1Å; F7-S9 VanDerWaalsContact C-N 3.29Å; F7-S9 PolarHBondContact O-N 2.87Å; S9-V13 WeakPolarHBondContact O-CG2 3.19Å; S9-V13 PolarHBondContact O-N 2.83Å
10Y51.2Low47.2Very low102 Ų10277.4 Ų77.440%0.441%0.407SS..Hα-helixtrans-70.4-44.1171.9-78.6-79.6000112.1R6 F7 F8 V12 V13 F14 V345 Y346R6-Y10 VanDerWaalsContact O-CD2 3.27Å; R6-Y10 WeakPolarHBondContact O-CD2 3.31Å; R6-Y10 PolarHBondContact O-N 2.75Å; R6-Y10 VanDerWaalsContact O-N 3.08Å; F7-Y10 WeakPolarHBondContact O-CB 3.32Å; F7-Y10 PolarHBondContact O-N 3.1Å; F7-Y10 VanDerWaalsContact O-N 3.1Å; F8-Y10 VanDerWaalsContact C-N 3.26Å; F8-Y10 PolarHBondContact O-N 3.1Å; Y10-V12 PolarHBondContact O-N 3.41Å; Y10-V13 WeakPolarHBondContact O-CB 3.26Å; Y10-V13 PolarHBondContact O-N 3.28Å; Y10-V13 VanDerWaalsContact O-N 3.09Å; Y10-F14 HydrophobicContact CD1-CE2 4.49Å; Y10-F14 WeakPolarHBondContact O-CD2 3.45Å; Y10-F14 WeakPolarHBondContact O-CE2 3.43Å; Y10-F14 PolarHBondContact O-N 3.1Å; Y10-V345 HydrophobicContact CD1-CG1 4.19Å; Y10-V345 HydrophobicContact CE1-CG1 4.33Å; Y10-Y346 HydrophobicContact CD2-CD2 4.09Å; Y10-Y346 HydrophobicContact CE2-CD2 4.05Å
11F52Low46.9Very low4 Ų476.9 Ų76.92%0.01841%0.41CS..Hα-helixtrans-56.1-39.1176.6-170.8-96.9000112.4F7 F8 V13 F14 S15 M335 Y338 V339 A342F7-F11 PolarHBondContact O-N 3.49Å; F8-F11 WeakPolarHBondContact O-CB 2.95Å; F8-F11 PolarHBondContact O-N 3.4Å; F8-F11 VanDerWaalsContact O-N 3.1Å; F11-V13 VanDerWaalsContact C-N 3.32Å; F11-V13 PolarHBondContact O-N 3.39Å; F11-F14 PolarHBondContact O-N 3.45Å; F11-F14 VanDerWaalsContact O-N 3.09Å; F11-S15 PolarHBondContact O-N 3.42Å; F11-M335 HydrophobicContact CE1-CE 3.86Å; F11-M335 HydrophobicContact CE2-CE 4.23Å; F11-M335 HydrophobicContact CE2-CG 4.35Å; F11-M335 HydrophobicContact CZ-CE 3.5Å; F11-M335 HydrophobicContact CZ-CG 3.73Å; F11-M335 HydrophobicContact CZ-SD 4.49Å; F11-Y338 VanDerWaalsContact CE2-CB 3.5Å; F11-V339 HydrophobicContact CD2-CG2 4.1Å; F11-V339 HydrophobicContact CE2-CB 4.37Å; F11-V339 HydrophobicContact CE2-CG2 3.54Å; F11-V339 HydrophobicContact CZ-CG2 4.29Å; F11-A342 HydrophobicContact CB-CB 4.34Å; F11-A342 HydrophobicContact CD2-CB 4.3Å
12V49.5Very low47.2Very low50 Ų5070.3 Ų70.330%0.30338%0.381SS..Hα-helixtrans-65.1-33.2178.6171.30000112.3F8 Y10 F14 F19F8-V12 WeakPolarHBondContact O-CB 3.17Å; F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.25Å; Y10-V12 PolarHBondContact O-N 3.41Å; V12-F14 PolarHBondContact O-N 3.09Å; V12-F19 HydrophobicContact CB-CD2 4.3Å; V12-F19 HydrophobicContact CB-CE2 4.15Å; V12-F19 HydrophobicContact CG1-CD2 3.78Å; V12-F19 HydrophobicContact CG1-CE2 3.65Å; V12-F19 HydrophobicContact CG2-CD2 3.62Å; V12-F19 HydrophobicContact CG2-CE2 3.34Å
13V53.2Low47.7Very low107 Ų10771.5 Ų71.565%0.64840%0.395SS*.Hα-helixtrans-67.5-28.6175.2174.50000111.3S9 Y10 F11S9-V13 WeakPolarHBondContact O-CG2 3.19Å; S9-V13 PolarHBondContact O-N 2.83Å; Y10-V13 WeakPolarHBondContact O-CB 3.26Å; Y10-V13 PolarHBondContact O-N 3.28Å; Y10-V13 VanDerWaalsContact O-N 3.09Å; F11-V13 VanDerWaalsContact C-N 3.32Å; F11-V13 PolarHBondContact O-N 3.39Å
14F49.5Very low48.6Very low43 Ų4370.6 Ų70.619%0.18939%0.393CS..Hα-helixtrans-95.3-12.6-173.2-55.9-48.9000114.5Y10 F11 V12 V279 A342 V345Y10-F14 HydrophobicContact CD1-CE2 4.49Å; Y10-F14 WeakPolarHBondContact O-CD2 3.45Å; Y10-F14 WeakPolarHBondContact O-CE2 3.43Å; Y10-F14 PolarHBondContact O-N 3.1Å; F11-F14 PolarHBondContact O-N 3.45Å; F11-F14 VanDerWaalsContact O-N 3.09Å; V12-F14 PolarHBondContact O-N 3.09Å; F14-V279 HydrophobicContact CD1-CB 4.4Å; F14-V279 HydrophobicContact CD1-CG1 3.67Å; F14-V279 HydrophobicContact CD1-CG2 3.77Å; F14-V279 HydrophobicContact CE1-CB 4.27Å; F14-V279 HydrophobicContact CE1-CG1 3.14Å; F14-V279 HydrophobicContact CE1-CG2 4.13Å; F14-V279 HydrophobicContact CZ-CG1 3.67Å; F14-A342 HydrophobicContact CD2-CB 4.21Å; F14-A342 HydrophobicContact CE2-CB 4.41Å; F14-V345 HydrophobicContact CE2-CB 4.36Å; F14-V345 HydrophobicContact CE2-CG1 4.43Å; F14-V345 HydrophobicContact CE2-CG2 4.38Å; F14-V345 HydrophobicContact CZ-CB 4.35Å; F14-V345 HydrophobicContact CZ-CG1 4.06Å; F14-V345 HydrophobicContact CZ-CG2 4.2Å
15S50.2Low49.5Very low11 Ų1171.1 Ų71.18%0.07740%0.395CS..  trans-139.9102.9-178.9103.30000110.4F11 D17 Y18F11-S15 PolarHBondContact O-N 3.42Å; S15-D17 PolarHBondContact O-N 3.09Å; S15-Y18 VanDerWaalsContact CB-CD2 3.48Å; S15-Y18 VanDerWaalsContact OG-CB 3.32Å; S15-Y18 WeakPolarHBondContact OG-CB 3.29Å; S15-Y18 WeakPolarHBondContact OG-CD2 3.28Å
16N42.5Very low50.1Low155 Ų15573.1 Ų73.183%0.82941%0.407SS*.SBendtrans-72.1-18.3175.8-84.5-26.9000112.6
17D45.3Very low50.6Low149 Ų14969.9 Ų69.980%0.79740%0.401SS*.SBendtrans-96.5-18.2-171.2-66.1-34.3000114.7S15S15-D17 PolarHBondContact O-N 3.09Å
18Y45Very low50.8Low49 Ų4978.5 Ų78.519%0.19244%0.441CS..SBendtrans-93.33-171.5-64.6-97.9000114.6S15 S20 C22 D329 Y338S15-Y18 VanDerWaalsContact CB-CD2 3.48Å; S15-Y18 VanDerWaalsContact OG-CB 3.32Å; S15-Y18 WeakPolarHBondContact OG-CB 3.29Å; S15-Y18 WeakPolarHBondContact OG-CD2 3.28Å; Y18-S20 VanDerWaalsContact C-N 3.3Å; Y18-S20 PolarHBondContact O-N 3.34Å; Y18-C22 PolarHBondContact O-SG 3.19Å; Y18-C22 VanDerWaalsContact O-SG 3.39Å; Y18-D329 WeakPolarHBondContact CD1-OD2 3.4Å; Y18-D329 VanDerWaalsContact CE1-OD2 3.26Å; Y18-D329 WeakPolarHBondContact CE1-OD2 3.34Å; Y18-Y338 HydrophobicContact CE2-CE2 4.45Å
19F37Very low51.1Low144 Ų14479 Ų7963%0.63245%0.448SS*.THydrogen-bonded Turntrans-74.5-13.4-171.6-151.8-89.4000114.5V12 S21V12-F19 HydrophobicContact CB-CD2 4.3Å; V12-F19 HydrophobicContact CB-CE2 4.15Å; V12-F19 HydrophobicContact CG1-CD2 3.78Å; V12-F19 HydrophobicContact CG1-CE2 3.65Å; V12-F19 HydrophobicContact CG2-CD2 3.62Å; V12-F19 HydrophobicContact CG2-CE2 3.34Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 3.27Å
20S36.6Very low52.2Low130 Ų13080.9 Ų80.991%0.90945%0.454SS*.THydrogen-bonded Turntrans-79-11.2-176.9-66.40000114.5Y18Y18-S20 VanDerWaalsContact C-N 3.3Å; Y18-S20 PolarHBondContact O-N 3.34Å
21S40.7Very low53.7Low67 Ų6780.6 Ų80.647%0.46946%0.459SS..THydrogen-bonded Turntrans-125.9-7.6-170.7530000116F19 A23F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 3.27Å; S21-A23 PolarHBondContact O-N 3.42Å
22C46.1Very low55.3Low36 Ų3681.4 Ų81.424%0.24346%0.462CS..  trans-78.340.7-175.9-63.70000114.1F8 Y18 T325F8-C22 HydrophobicContact CE1-CB 4.05Å; Y18-C22 PolarHBondContact O-SG 3.19Å; Y18-C22 VanDerWaalsContact O-SG 3.39Å; C22-T325 HydrophobicContact CB-CG2 4.19Å; C22-T325 WeakPolarHBondContact SG-CG2 3.42Å
23A54.5Low57.2Low88 Ų8879.5 Ų79.573%0.72745%0.451SS*.  trans-87.8105.9167.800000108.3S21S21-A23 PolarHBondContact O-N 3.42Å
24C63.8Low58.8Low43 Ų4376.2 Ų76.229%0.29143%0.431SS..PPolyproline II helixtrans-54.3142.2172.5-52.10000109.6P26 C321C24-P26 VanDerWaalsContact O-CD 3.31Å; C24-P26 WeakPolarHBondContact O-CD 3.48Å; C24-C321 HydrophobicContact CB-CB 4.09Å; C24-C321 VanDerWaalsContact SG-CB 3.55Å
25I62.9Low60.7Low29 Ų2976 Ų7615%0.14944%0.435CS..PPolyproline II helixtrans-68.4121.8-178.5-61.1167.5000107D27 L31 R32 C35 D324I25-D27 PolarHBondContact O-N 3.15Å; I25-L31 HydrophobicContact CG2-CB 4.4Å; I25-R32 HydrophobicContact CB-CB 4.29Å; I25-R32 HydrophobicContact CB-CG 4.37Å; I25-R32 HydrophobicContact CD1-CG 4.14Å; I25-R32 HydrophobicContact CG2-CB 3.93Å; I25-R32 PolarHBondContact O-NH2 2.76Å; I25-C35 HydrophobicContact CD1-CB 3.49Å; I25-C35 VanDerWaalsContact CD1-CB 3.49Å; I25-D324 HydrophobicContact CG1-CB 4.48Å; I25-D324 PolarHBondContact N-OD2 3.41Å
26P60.9Low62.6Low87 Ų8775.5 Ų75.557%0.56543%0.431SS*.PPolyproline II helixtrans-60.5125.4-177.7-20.530.4000110.4C24 E28 S29C24-P26 VanDerWaalsContact O-CD 3.31Å; C24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-E28 PolarHBondContact O-N 3.15Å; P26-S29 WeakPolarHBondContact O-CB 3.23Å; P26-S29 PolarHBondContact O-N 3.47Å; P26-S29 VanDerWaalsContact O-N 3.11Å; P26-S29 PolarHBondContact O-OG 2.94Å
27D62.7Low64.8Low78 Ų7868.1 Ų68.142%0.41739%0.392SS..G310 helixtrans-52.5-39.7178.5-84.4-63.1000112.5I25 S29 N30 R32I25-D27 PolarHBondContact O-N 3.15Å; D27-S29 PolarHBondContact O-N 3.11Å; D27-N30 PolarHBondContact O-N 2.61Å; D27-R32 IonicContact OD1-CZ 3.53Å; D27-R32 IonicContact OD1-NH1 3.2Å; D27-R32 PolarHBondContact OD1-NH1 2.84Å; D27-R32 IonicContact OD1-NH2 2.68Å; D27-R32 PolarHBondContact OD1-NH2 3.31Å; D27-R32 IonicContact OD2-NH2 3.23Å; D27-R32 PolarHBondContact OD2-NH2 3.13Å; D27-R32 VanDerWaalsContact OD2-NH2 3.13Å
28E57.1Low66.9Low189 Ų18963.9 Ų63.988%0.88337%0.368SS*.G310 helixtrans-62.4-18.5-176.2-60.4-172.317700113.7P26P26-E28 PolarHBondContact O-N 3.15Å
29S61.5Low68.8Low42 Ų4264.6 Ų64.629%0.29438%0.376SS..G310 helixtrans-80.4-14.8-175.2700000113.8P26 D27 L31P26-S29 WeakPolarHBondContact O-CB 3.23Å; P26-S29 PolarHBondContact O-N 3.47Å; P26-S29 VanDerWaalsContact O-N 3.11Å; P26-S29 PolarHBondContact O-OG 2.94Å; D27-S29 PolarHBondContact O-N 3.11Å; S29-L31 WeakPolarHBondContact O-CG 3.27Å; S29-L31 PolarHBondContact O-N 3.19Å; S29-L31 WeakPolarHBondContact OG-CB 3.44Å; S29-L31 PolarHBondContact OG-N 2.88Å
30N73.5Confident71.3Confident95 Ų9557.8 Ų57.851%0.50835%0.346SS..SBendtrans5215.1-167.8-63.9-48.1000113.8D27 A227D27-N30 PolarHBondContact O-N 2.61Å; N30-A227 HydrophobicContact CB-CB 4.21Å; N30-A227 VanDerWaalsContact CG-CB 3.48Å; N30-A227 VanDerWaalsContact OD1-CB 3.29Å; N30-A227 WeakPolarHBondContact OD1-CB 3.23Å
31L82.6Confident73.6Confident97 Ų9756.6 Ų56.651%0.50833%0.329SS..  trans-85.1-23.8-176.2-63.8176.3000112.2I25 S29 T34 C35I25-L31 HydrophobicContact CG2-CB 4.4Å; S29-L31 WeakPolarHBondContact O-CG 3.27Å; S29-L31 PolarHBondContact O-N 3.19Å; S29-L31 WeakPolarHBondContact OG-CB 3.44Å; S29-L31 PolarHBondContact OG-N 2.88Å; L31-T34 WeakPolarHBondContact O-CA 3.34Å; L31-T34 WeakPolarHBondContact O-CB 3.49Å; L31-T34 PolarHBondContact O-N 3.41Å; L31-C35 PolarHBondContact O-N 3.32Å; L31-C35 PolarHBondContact O-SG 3.31Å; L31-C35 VanDerWaalsContact O-SG 3.39Å
32R86.8Confident75.6Confident20 Ų2053.5 Ų53.58%0.07531%0.308CS..Hα-helixtrans-51.5-48.5-174-168.8-177-59121.1-0.2113.7I25 D27 T34 C35 W36 V222 I320 D324I25-R32 HydrophobicContact CB-CB 4.29Å; I25-R32 HydrophobicContact CB-CG 4.37Å; I25-R32 HydrophobicContact CD1-CG 4.14Å; I25-R32 HydrophobicContact CG2-CB 3.93Å; I25-R32 PolarHBondContact O-NH2 2.76Å; D27-R32 IonicContact OD1-CZ 3.53Å; D27-R32 IonicContact OD1-NH1 3.2Å; D27-R32 PolarHBondContact OD1-NH1 2.84Å; D27-R32 IonicContact OD1-NH2 2.68Å; D27-R32 PolarHBondContact OD1-NH2 3.31Å; D27-R32 IonicContact OD2-NH2 3.23Å; D27-R32 PolarHBondContact OD2-NH2 3.13Å; D27-R32 VanDerWaalsContact OD2-NH2 3.13Å; R32-T34 VanDerWaalsContact C-N 3.28Å; R32-T34 PolarHBondContact O-N 2.79Å; R32-C35 PolarHBondContact O-N 2.86Å; R32-W36 HydrophobicContact CG-CG 4.47Å; R32-W36 VanDerWaalsContact O-CD1 3.32Å; R32-W36 PolarHBondContact O-N 3.27Å; R32-V222 HydrophobicContact CG-CG1 4.15Å; R32-I320 VanDerWaalsContact NE-CG2 3.34Å; R32-D324 VanDerWaalsContact CD-OD1 3.28Å; R32-D324 WeakPolarHBondContact CD-OD1 3.49Å; R32-D324 WeakPolarHBondContact CG-OD1 3.47Å; R32-D324 IonicContact NE-OD1 3.15Å; R32-D324 PolarHBondContact NE-OD1 3.49Å; R32-D324 IonicContact NE-OD2 2.61Å; R32-D324 PolarHBondContact NE-OD2 3.21Å
33P88.8Confident77.6Confident11 Ų1152 Ų527%0.07130%0.297CS..Hα-helixtrans-58.8-40.5177.5-24.335.5000112.6R37 V222 F223 D226P33-R37 VanDerWaalsContact O-CG 3.25Å; P33-R37 WeakPolarHBondContact O-CG 3.5Å; P33-R37 PolarHBondContact O-N 3.22Å; P33-V222 HydrophobicContact CB-CG1 4.23Å; P33-V222 HydrophobicContact CG-CG1 3.98Å; P33-F223 HydrophobicContact CB-CD1 4.04Å; P33-F223 HydrophobicContact CB-CE1 4.43Å; P33-F223 WeakPolarHBondContact O-CE1 3.31Å; P33-D226 HydrophobicContact CB-CB 4.23Å; P33-D226 WeakPolarHBondContact CB-OD2 3.32Å; P33-D226 HydrophobicContact CG-CB 4Å
34T87.5Confident79Confident38 Ų3849.4 Ų49.423%0.23327%0.273CS..Hα-helixtrans-69.2-41.6178.9-55.40000111.4L31 R32 R37 L38 W50L31-T34 WeakPolarHBondContact O-CA 3.34Å; L31-T34 WeakPolarHBondContact O-CB 3.49Å; L31-T34 PolarHBondContact O-N 3.41Å; R32-T34 VanDerWaalsContact C-N 3.28Å; R32-T34 PolarHBondContact O-N 2.79Å; T34-R37 PolarHBondContact O-N 3.08Å; T34-L38 HydrophobicContact CG2-CD1 4.34Å; T34-L38 PolarHBondContact O-N 3.06Å; T34-L38 VanDerWaalsContact O-N 3.09Å; T34-W50 HydrophobicContact CG2-CH2 3.95Å; T34-W50 HydrophobicContact CG2-CZ3 4.09Å
35C88.3Confident79.9Confident39 Ų3953.4 Ų53.426%0.26430%0.298SS..Hα-helixtrans-61.7-45.8175.7-68.10000111.6I25 L31 R32 R37 L38 L39I25-C35 HydrophobicContact CD1-CB 3.49Å; I25-C35 VanDerWaalsContact CD1-CB 3.49Å; L31-C35 PolarHBondContact O-N 3.32Å; L31-C35 PolarHBondContact O-SG 3.31Å; L31-C35 VanDerWaalsContact O-SG 3.39Å; R32-C35 PolarHBondContact O-N 2.86Å; C35-R37 PolarHBondContact O-N 3.21Å; C35-L38 PolarHBondContact O-N 3.34Å; C35-L39 WeakPolarHBondContact O-CB 3.21Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 3.29Å; C35-L39 PolarHBondContact O-N 2.96Å
36W90Very high80.9Confident0 Ų059 Ų590%032%0.323CS..Hα-helixtrans-62.8-43.6178.4-80.536.6000111.6R32 L38 L39 L40 P218 I219 V222 F223 I320 W323 D324 I327R32-W36 HydrophobicContact CG-CG 4.47Å; R32-W36 VanDerWaalsContact O-CD1 3.32Å; R32-W36 PolarHBondContact O-N 3.27Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 PolarHBondContact O-N 2.87Å; W36-L39 PolarHBondContact O-N 2.89Å; W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 2.95Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.68Å; W36-P218 HydrophobicContact CH2-CB 4.22Å; W36-P218 HydrophobicContact CZ3-CB 4.4Å; W36-I219 HydrophobicContact CE3-CG1 4.16Å; W36-I219 HydrophobicContact CZ3-CB 4.31Å; W36-I219 HydrophobicContact CZ3-CG1 3.86Å; W36-V222 HydrophobicContact CD2-CG1 4.3Å; W36-V222 HydrophobicContact CD2-CG2 4.43Å; W36-V222 HydrophobicContact CE3-CB 4.25Å; W36-V222 HydrophobicContact CE3-CG1 4.42Å; W36-V222 HydrophobicContact CE3-CG2 4.2Å; W36-V222 HydrophobicContact CH2-CG2 3.87Å; W36-V222 HydrophobicContact CZ2-CG2 4.1Å; W36-V222 HydrophobicContact CZ3-CB 4.37Å; W36-V222 HydrophobicContact CZ3-CG2 3.93Å; W36-F223 HydrophobicContact CB-CE1 3.82Å; W36-F223 HydrophobicContact CB-CZ 4.08Å; W36-I320 HydrophobicContact CZ2-CG2 3.94Å; W36-W323 HydrophobicContact CH2-CB 3.45Å; W36-W323 VanDerWaalsContact CH2-CB 3.45Å; W36-W323 HydrophobicContact CH2-CG 4.01Å; W36-W323 HydrophobicContact CZ2-CB 3.47Å; W36-W323 VanDerWaalsContact CZ2-CB 3.47Å; W36-W323 HydrophobicContact CZ2-CG 4.49Å; W36-D324 PolarHBondContact NE1-OD1 3.32Å; W36-I327 HydrophobicContact CD2-CD1 3.62Å; W36-I327 HydrophobicContact CE3-CD1 3.75Å; W36-I327 HydrophobicContact CG-CD1 4.19Å; W36-I327 HydrophobicContact CH2-CD1 4.05Å; W36-I327 HydrophobicContact CZ2-CD1 3.93Å; W36-I327 HydrophobicContact CZ3-CD1 3.94Å
37R89.6Confident82.1Confident0 Ų064.3 Ų64.30%033%0.332CS..Hα-helixtrans-59.3-37.8175.4-71.7174.6-175.2110.85112.4P33 T34 C35 C42 L43 F223 D226 W231 D238P33-R37 VanDerWaalsContact O-CG 3.25Å; P33-R37 WeakPolarHBondContact O-CG 3.5Å; P33-R37 PolarHBondContact O-N 3.22Å; T34-R37 PolarHBondContact O-N 3.08Å; C35-R37 PolarHBondContact O-N 3.21Å; R37-C42 HydrophobicContact CB-CB 4.43Å; R37-C42 CarbonylContact O-C 3.54Å; R37-C42 WeakPolarHBondContact O-CA 3.47Å; R37-C42 WeakPolarHBondContact O-CB 3.49Å; R37-C42 PolarHBondContact O-N 3.2Å; R37-L43 HydrophobicContact CB-CD1 3.58Å; R37-L43 HydrophobicContact CB-CG 3.87Å; R37-L43 HydrophobicContact CG-CD1 4.47Å; R37-L43 PolarHBondContact O-N 2.85Å; R37-F223 HydrophobicContact CG-CE1 3.77Å; R37-F223 HydrophobicContact CG-CE2 4.27Å; R37-F223 HydrophobicContact CG-CZ 3.62Å; R37-D226 IonicContact CZ-OD2 4Å; R37-D226 IonicContact NH1-OD2 3.08Å; R37-D226 PolarHBondContact NH1-OD2 3.46Å; R37-D226 IonicContact NH2-OD2 3.9Å; R37-D226 PolarHBondContact NH2-OD2 3.42Å; R37-W231 VanDerWaalsContact CD-CZ3 3.48Å; R37-W231 VanDerWaalsContact NE-CE3 3.33Å; R37-D238 IonicContact CZ-OD2 2.84Å; R37-D238 IonicContact NE-OD2 3.27Å; R37-D238 PolarHBondContact NE-OD2 2.75Å; R37-D238 IonicContact NH2-OD2 3.13Å; R37-D238 PolarHBondContact NH2-OD2 3.45Å
38L87.9Confident83.2Confident59 Ų5970.7 Ų70.731%0.30936%0.356SS..Hα-helixtrans-71.9-49176.1-76.8166000112.2T34 C35 W36 L40 N41 L43 W50T34-L38 HydrophobicContact CG2-CD1 4.34Å; T34-L38 PolarHBondContact O-N 3.06Å; T34-L38 VanDerWaalsContact O-N 3.09Å; C35-L38 PolarHBondContact O-N 3.34Å; W36-L38 VanDerWaalsContact C-N 3.26Å; W36-L38 PolarHBondContact O-N 2.87Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.49Å; L38-N41 PolarHBondContact O-N 3.09Å; L38-N41 VanDerWaalsContact O-N 3.1Å; L38-L43 HydrophobicContact CD2-CB 3.7Å; L38-L43 HydrophobicContact CG-CB 4.16Å; L38-L43 HydrophobicContact CG-CD1 4.39Å; L38-W50 HydrophobicContact CD1-CH2 4.19Å; L38-W50 HydrophobicContact CD1-CZ2 4.12Å; L38-W50 HydrophobicContact CD2-CZ2 3.77Å; L38-W50 HydrophobicContact CG-CZ2 4.26Å
39L86.4Confident84.6Confident65 Ų6563.2 Ų63.234%0.3433%0.33SS..Hα-helixtrans-71.1-26-175.7-66.9169.8000113.4C35 W36 N41 I327 A328C35-L39 WeakPolarHBondContact O-CB 3.21Å; C35-L39 VanDerWaalsContact O-CG 3.29Å; C35-L39 WeakPolarHBondContact O-CG 3.29Å; C35-L39 PolarHBondContact O-N 2.96Å; W36-L39 PolarHBondContact O-N 2.89Å; L39-N41 VanDerWaalsContact C-N 3.29Å; L39-I327 HydrophobicContact CB-CG2 3.29Å; L39-I327 HydrophobicContact CD1-CG2 3.85Å; L39-I327 HydrophobicContact CG-CG2 4.2Å; L39-A328 HydrophobicContact CD1-CB 4.24Å
40L88.5Confident86Confident1 Ų163 Ų631%0.00532%0.323CS..THydrogen-bonded Turntrans-92.215.5172.4-61.9176.7000112.5W36 L38 C42 I219 C242 N245 L246 I327W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 2.95Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.68Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-L40 PolarHBondContact O-N 3.49Å; L40-C42 PolarHBondContact O-N 3.43Å; L40-C42 VanDerWaalsContact O-N 3.08Å; L40-I219 HydrophobicContact CD1-CD1 4.1Å; L40-I219 HydrophobicContact CD1-CG1 4.32Å; L40-C242 HydrophobicContact CB-CB 4.04Å; L40-C242 HydrophobicContact CD1-CB 3.74Å; L40-N245 VanDerWaalsContact O-CB 3.32Å; L40-N245 WeakPolarHBondContact O-CB 3.42Å; L40-N245 PolarHBondContact O-ND2 3.09Å; L40-L246 HydrophobicContact CD2-CB 4.29Å; L40-L246 HydrophobicContact CD2-CD1 4.3Å; L40-I327 HydrophobicContact CD1-CD1 4.12Å; L40-I327 HydrophobicContact CD2-CD1 4.31Å; L40-I327 HydrophobicContact CD2-CG1 4.08Å; L40-I327 HydrophobicContact CD2-CG2 3.92Å; L40-I327 HydrophobicContact CG-CD1 4.36Å; L40-I327 HydrophobicContact CG-CG2 4Å
41N85.4Confident86.7Confident105 Ų10563.2 Ų63.256%0.56133%0.332SS*.THydrogen-bonded Turntrans57.125175.1-61-48.5000115L38 L39 N245L38-N41 PolarHBondContact O-N 3.09Å; L38-N41 VanDerWaalsContact O-N 3.1Å; L39-N41 VanDerWaalsContact C-N 3.29Å; N41-N245 VanDerWaalsContact C-ND2 3.33Å; N41-N245 PolarHBondContact O-ND2 3.33Å; N41-N245 VanDerWaalsContact O-ND2 3.1Å
42C83.7Confident87.1Confident2 Ų262.2 Ų62.21%0.01434%0.337CS..SBendtrans-83.8-15.8172.4-1740000112.1R37 L40 F53 C242R37-C42 HydrophobicContact CB-CB 4.43Å; R37-C42 CarbonylContact O-C 3.54Å; R37-C42 WeakPolarHBondContact O-CA 3.47Å; R37-C42 WeakPolarHBondContact O-CB 3.49Å; R37-C42 PolarHBondContact O-N 3.2Å; L40-C42 PolarHBondContact O-N 3.43Å; L40-C42 VanDerWaalsContact O-N 3.08Å; C42-F53 WeakPolarHBondContact O-CE1 3.11Å; C42-C242 WeakPolarHBondContact CB-SG 3.49Å
43L86.2Confident87.3Confident5 Ų564.3 Ų64.33%0.02635%0.347CS..SBendtrans-121.2135170.9-73.6173000109.9R37 L38 W50 L54 W231R37-L43 HydrophobicContact CB-CD1 3.58Å; R37-L43 HydrophobicContact CB-CG 3.87Å; R37-L43 HydrophobicContact CG-CD1 4.47Å; R37-L43 PolarHBondContact O-N 2.85Å; L38-L43 HydrophobicContact CD2-CB 3.7Å; L38-L43 HydrophobicContact CG-CB 4.16Å; L38-L43 HydrophobicContact CG-CD1 4.39Å; L43-W50 HydrophobicContact CD1-CD2 4.19Å; L43-W50 HydrophobicContact CD1-CE3 4.14Å; L43-W50 HydrophobicContact CD1-CH2 4.26Å; L43-W50 HydrophobicContact CD1-CZ2 4.32Å; L43-W50 HydrophobicContact CD1-CZ3 4.16Å; L43-W50 HydrophobicContact CD2-CB 4.26Å; L43-W50 HydrophobicContact CD2-CD2 4.06Å; L43-W50 HydrophobicContact CD2-CE3 4.5Å; L43-W50 HydrophobicContact CD2-CG 3.94Å; L43-L54 HydrophobicContact CD2-CD1 3.88Å; L43-L54 HydrophobicContact CD2-CD2 3.71Å; L43-L54 HydrophobicContact CD2-CG 3.77Å; L43-W231 HydrophobicContact CD1-CH2 4.03Å; L43-W231 HydrophobicContact CD1-CZ3 4.33Å; L43-W231 HydrophobicContact CD2-CH2 4.25Å
44P85.1Confident87.5Confident33 Ų3364.2 Ų64.221%0.21435%0.346CS..  trans-65.5153.1170.727.2-31.4000109.9E46 W50 F53P44-E46 PolarHBondContact O-N 3.49Å; P44-E46 VanDerWaalsContact O-N 3.15Å; P44-W50 PolarHBondContact O-NE1 3.39Å; P44-F53 HydrophobicContact CG-CB 4.38Å; P44-F53 HydrophobicContact CG-CD2 4.38Å; P44-F53 HydrophobicContact CG-CG 4.22Å
45P82.4Confident87.7Confident126 Ų12666.2 Ų66.282%0.81836%0.362SS*.SBendtrans-61.8-26.3179.923.9-33.3000112.4R47P45-R47 PolarHBondContact O-N 3.26Å
46E83.7Confident88Confident147 Ų14768 Ų6869%0.68737%0.374SS*.  trans-84.5108.3179.6-65.9-177.1-168.500112.6P44 K48 G49 W50P44-E46 PolarHBondContact O-N 3.49Å; P44-E46 VanDerWaalsContact O-N 3.15Å; E46-K48 PolarHBondContact O-N 2.78Å; E46-K48 VanDerWaalsContact O-N 3.09Å; E46-G49 PolarHBondContact O-N 3.04Å; E46-W50 PolarHBondContact O-NE1 3.37Å
47R86Confident88.1Confident198 Ų19870.4 Ų70.475%0.74739%0.386SS*.G310 helixtrans-56.6-28.1-179.6-168.4173.3179.4-175.70.7114.9P45 G49 W50P45-R47 PolarHBondContact O-N 3.26Å; R47-G49 PolarHBondContact O-N 3.05Å; R47-W50 HydrophobicContact CB-CD2 4.43Å; R47-W50 HydrophobicContact CB-CZ2 4.31Å; R47-W50 HydrophobicContact CG-CD2 4.03Å; R47-W50 HydrophobicContact CG-CE3 4.08Å; R47-W50 HydrophobicContact CG-CH2 4.38Å; R47-W50 HydrophobicContact CG-CZ2 4.31Å; R47-W50 HydrophobicContact CG-CZ3 4.27Å; R47-W50 PolarHBondContact O-N 3.3Å
48K86.6Confident88.3Confident212 Ų21272 Ų7292%0.92239%0.391SS*.G310 helixtrans-63.6-27.5-177.8-66.7-177.8-178.9176.90112.8E46E46-K48 PolarHBondContact O-N 2.78Å; E46-K48 VanDerWaalsContact O-N 3.09Å
49G86.2Confident88.6Confident32 Ų3275.6 Ų75.633%0.3340%0.404SS..G310 helixtrans-92.9-6.1-17800000115.1E46 R47 S51 A52 F53E46-G49 PolarHBondContact O-N 3.04Å; R47-G49 PolarHBondContact O-N 3.05Å; G49-S51 PolarHBondContact O-N 2.73Å; G49-A52 PolarHBondContact O-N 3.33Å; G49-F53 VanDerWaalsContact O-CB 3.31Å; G49-F53 WeakPolarHBondContact O-CB 3.31Å; G49-F53 PolarHBondContact O-N 3Å
50W90.5Very high89Confident38 Ų3876.6 Ų76.614%0.14441%0.41CS..Hα-helixtrans-59.2-45.9-168.5-72.77.8000113.2T34 L38 L43 P44 E46 R47 A52 F53 L54 W231T34-W50 HydrophobicContact CG2-CH2 3.95Å; T34-W50 HydrophobicContact CG2-CZ3 4.09Å; L38-W50 HydrophobicContact CD1-CH2 4.19Å; L38-W50 HydrophobicContact CD1-CZ2 4.12Å; L38-W50 HydrophobicContact CD2-CZ2 3.77Å; L38-W50 HydrophobicContact CG-CZ2 4.26Å; L43-W50 HydrophobicContact CD1-CD2 4.19Å; L43-W50 HydrophobicContact CD1-CE3 4.14Å; L43-W50 HydrophobicContact CD1-CH2 4.26Å; L43-W50 HydrophobicContact CD1-CZ2 4.32Å; L43-W50 HydrophobicContact CD1-CZ3 4.16Å; L43-W50 HydrophobicContact CD2-CB 4.26Å; L43-W50 HydrophobicContact CD2-CD2 4.06Å; L43-W50 HydrophobicContact CD2-CE3 4.5Å; L43-W50 HydrophobicContact CD2-CG 3.94Å; P44-W50 PolarHBondContact O-NE1 3.39Å; E46-W50 PolarHBondContact O-NE1 3.37Å; R47-W50 HydrophobicContact CB-CD2 4.43Å; R47-W50 HydrophobicContact CB-CZ2 4.31Å; R47-W50 HydrophobicContact CG-CD2 4.03Å; R47-W50 HydrophobicContact CG-CE3 4.08Å; R47-W50 HydrophobicContact CG-CH2 4.38Å; R47-W50 HydrophobicContact CG-CZ2 4.31Å; R47-W50 HydrophobicContact CG-CZ3 4.27Å; R47-W50 PolarHBondContact O-N 3.3Å; W50-A52 PolarHBondContact O-N 3.43Å; W50-F53 PolarHBondContact O-N 3.28Å; W50-L54 VanDerWaalsContact O-CB 3.27Å; W50-L54 WeakPolarHBondContact O-CB 3.49Å; W50-L54 WeakPolarHBondContact O-CD1 3.46Å; W50-L54 WeakPolarHBondContact O-CG 3.5Å; W50-L54 PolarHBondContact O-N 3.35Å; W50-W231 HydrophobicContact CE3-CH2 4.43Å
51S89.1Confident89.3Confident100 Ų10076.8 Ų76.870%0.69941%0.41SS*.Hα-helixtrans-62.7-46.4-176.1175.80000112.3G49 S55G49-S51 PolarHBondContact O-N 2.73Å; S51-S55 WeakPolarHBondContact O-CB 3.35Å; S51-S55 PolarHBondContact O-N 3.1Å
52A90.9Very high89.7Confident75 Ų7575.8 Ų75.862%0.6241%0.405SS*.Hα-helixtrans-66.8-43.8178.500000111.5G49 W50 S55 S56G49-A52 PolarHBondContact O-N 3.33Å; W50-A52 PolarHBondContact O-N 3.43Å; A52-S55 PolarHBondContact O-N 2.82Å; A52-S56 PolarHBondContact O-N 3.27Å
53F91.1Very high90.1Very high65 Ų6580 Ų8029%0.28543%0.427SS..Hα-helixtrans-61-50.1179.2-175.1-88.3000111.8C42 P44 G49 W50 S55 S56 H57C42-F53 WeakPolarHBondContact O-CE1 3.11Å; P44-F53 HydrophobicContact CG-CB 4.38Å; P44-F53 HydrophobicContact CG-CD2 4.38Å; P44-F53 HydrophobicContact CG-CG 4.22Å; G49-F53 VanDerWaalsContact O-CB 3.31Å; G49-F53 WeakPolarHBondContact O-CB 3.31Å; G49-F53 PolarHBondContact O-N 3Å; W50-F53 PolarHBondContact O-N 3.28Å; F53-S55 PolarHBondContact O-N 2.68Å; F53-S56 PolarHBondContact O-N 3.33Å; F53-H57 AromaticContact CD1-CE1 3.86Å; F53-H57 AromaticContact CD1-ND1 3.58Å; F53-H57 AromaticContact CD2-CE1 3.76Å; F53-H57 AromaticContact CE1-CD2 3.94Å; F53-H57 AromaticContact CE1-CE1 3.3Å; F53-H57 WeakPolarHBondContact CE1-CE1 3Å; F53-H57 AromaticContact CE1-CG 3.82Å; F53-H57 AromaticContact CE1-ND1 3.39Å; F53-H57 WeakPolarHBondContact CE1-ND1 3.42Å; F53-H57 AromaticContact CE1-NE2 3.63Å; F53-H57 AromaticContact CE2-CE1 3.22Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.41Å; F53-H57 AromaticContact CE2-ND1 3.89Å; F53-H57 AromaticContact CE2-NE2 3.93Å; F53-H57 AromaticContact CG-ND1 3.9Å; F53-H57 AromaticContact CZ-CE1 2.97Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.13Å; F53-H57 AromaticContact CZ-ND1 3.59Å; F53-H57 AromaticContact CZ-NE2 3.29Å; F53-H57 VanDerWaalsContact CZ-NE2 3.29Å; F53-H57 WeakPolarHBondContact CZ-NE2 3.47Å; F53-H57 PolarHBondContact O-N 3.42Å; F53-H57 PolarHBondContact O-ND1 3.36Å
54L91.9Very high90.3Very high9 Ų980.5 Ų80.55%0.04743%0.43CS..Hα-helixtrans-63-41.7178.1-72.3169.1000111.7L43 W50 S56 H57 R58 W231L43-L54 HydrophobicContact CD2-CD1 3.88Å; L43-L54 HydrophobicContact CD2-CD2 3.71Å; L43-L54 HydrophobicContact CD2-CG 3.77Å; W50-L54 VanDerWaalsContact O-CB 3.27Å; W50-L54 WeakPolarHBondContact O-CB 3.49Å; W50-L54 WeakPolarHBondContact O-CD1 3.46Å; W50-L54 WeakPolarHBondContact O-CG 3.5Å; W50-L54 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 3.04Å; L54-H57 PolarHBondContact O-N 3.2Å; L54-R58 VanDerWaalsContact O-CB 3.25Å; L54-R58 WeakPolarHBondContact O-CB 3.23Å; L54-R58 WeakPolarHBondContact O-CD 3.22Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 2.97Å; L54-W231 HydrophobicContact CD1-CE3 4.49Å; L54-W231 HydrophobicContact CD1-CH2 3.38Å; L54-W231 HydrophobicContact CD1-CZ2 4.17Å; L54-W231 HydrophobicContact CD1-CZ3 3.53Å; L54-W231 HydrophobicContact CD2-CZ3 4.19Å
55S92.8Very high90.6Very high80 Ų8079.1 Ų79.156%0.55942%0.421SS*.Hα-helixtrans-60.6-40.1177.7-172.50000111.6S51 A52 F53 K59S51-S55 WeakPolarHBondContact O-CB 3.35Å; S51-S55 PolarHBondContact O-N 3.1Å; A52-S55 PolarHBondContact O-N 2.82Å; F53-S55 PolarHBondContact O-N 2.68Å; S55-K59 VanDerWaalsContact O-CB 3.3Å; S55-K59 WeakPolarHBondContact O-CB 3.47Å; S55-K59 PolarHBondContact O-N 2.87Å; S55-K59 VanDerWaalsContact O-N 3.12Å
56S93.9Very high90.8Very high76 Ų7677 Ų7753%0.53140%0.4SS..Hα-helixtrans-68.7-44.6177-168.20000112A52 F53 L54 K59 L60A52-S56 PolarHBondContact O-N 3.27Å; F53-S56 PolarHBondContact O-N 3.33Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 3.04Å; S56-K59 PolarHBondContact O-N 2.71Å; S56-L60 WeakPolarHBondContact O-CB 3.13Å; S56-L60 PolarHBondContact O-N 3.46Å
57H92.4Very high90.9Very high51 Ų5175.4 Ų75.424%0.23639%0.393CS..Hα-helixtrans-65.6-46.2-179.8-80.367.3000111.5F53 L54 K59 L60 Y61 F241F53-H57 AromaticContact CD1-CE1 3.86Å; F53-H57 AromaticContact CD1-ND1 3.58Å; F53-H57 AromaticContact CD2-CE1 3.76Å; F53-H57 AromaticContact CE1-CD2 3.94Å; F53-H57 AromaticContact CE1-CE1 3.3Å; F53-H57 WeakPolarHBondContact CE1-CE1 3Å; F53-H57 AromaticContact CE1-CG 3.82Å; F53-H57 AromaticContact CE1-ND1 3.39Å; F53-H57 WeakPolarHBondContact CE1-ND1 3.42Å; F53-H57 AromaticContact CE1-NE2 3.63Å; F53-H57 AromaticContact CE2-CE1 3.22Å; F53-H57 WeakPolarHBondContact CE2-CE1 3.41Å; F53-H57 AromaticContact CE2-ND1 3.89Å; F53-H57 AromaticContact CE2-NE2 3.93Å; F53-H57 AromaticContact CG-ND1 3.9Å; F53-H57 AromaticContact CZ-CE1 2.97Å; F53-H57 WeakPolarHBondContact CZ-CE1 3.13Å; F53-H57 AromaticContact CZ-ND1 3.59Å; F53-H57 AromaticContact CZ-NE2 3.29Å; F53-H57 VanDerWaalsContact CZ-NE2 3.29Å; F53-H57 WeakPolarHBondContact CZ-NE2 3.47Å; F53-H57 PolarHBondContact O-N 3.42Å; F53-H57 PolarHBondContact O-ND1 3.36Å; L54-H57 PolarHBondContact O-N 3.2Å; H57-K59 VanDerWaalsContact C-N 3.35Å; H57-K59 PolarHBondContact O-N 3.03Å; H57-L60 WeakPolarHBondContact O-CB 3.18Å; H57-L60 PolarHBondContact O-N 3.14Å; H57-Y61 PolarHBondContact O-N 3.1Å; H57-F241 HydrophobicContact CB-CD2 3.98Å; H57-F241 HydrophobicContact CB-CE2 3.62Å; H57-F241 HydrophobicContact CB-CZ 3.99Å; H57-F241 AromaticContact CD2-CD1 3.71Å; H57-F241 AromaticContact CD2-CE1 3.69Å; H57-F241 AromaticContact CD2-CG 3.9Å; H57-F241 AromaticContact CD2-CZ 3.88Å; H57-F241 WeakPolarHBondContact O-CE2 3.46Å; H57-F241 VanDerWaalsContact O-CZ 3.26Å; H57-F241 WeakPolarHBondContact O-CZ 3.38Å
58R94.3Very high90.9Very high33 Ų3367.6 Ų67.613%0.12537%0.365CS..Hα-helixtrans-62.2-42.6178.2-69.7164179.7-178.5-1111.5L54 Y61 D62 H234 A237 D238L54-R58 VanDerWaalsContact O-CB 3.25Å; L54-R58 WeakPolarHBondContact O-CB 3.23Å; L54-R58 WeakPolarHBondContact O-CD 3.22Å; L54-R58 WeakPolarHBondContact O-CG 3.45Å; L54-R58 PolarHBondContact O-N 2.97Å; R58-Y61 WeakPolarHBondContact O-CB 3.37Å; R58-Y61 PolarHBondContact O-N 3.44Å; R58-D62 VanDerWaalsContact O-CG 3.3Å; R58-D62 PolarHBondContact O-N 2.99Å; R58-H234 HydrophobicContact CG-CB 4.29Å; R58-H234 VanDerWaalsContact CZ-CB 3.45Å; R58-H234 VanDerWaalsContact NE-CB 3.3Å; R58-H234 PolarHBondContact NH1-CD2 3.19Å; R58-A237 HydrophobicContact CG-CB 4.06Å; R58-D238 IonicContact CZ-OD1 3.59Å; R58-D238 IonicContact NE-OD1 3.57Å; R58-D238 PolarHBondContact NE-OD1 3.13Å; R58-D238 IonicContact NH2-OD1 2.84Å; R58-D238 PolarHBondContact NH2-OD1 3.39Å; R58-D238 IonicContact NH2-OD2 3.07Å; R58-D238 PolarHBondContact NH2-OD2 3.08Å; R58-D238 VanDerWaalsContact NH2-OD2 3.08Å
59K94.4Very high90.6Very high134 Ų13457.6 Ų57.658%0.58332%0.321SS*.Hα-helixtrans-61-45.3173.5-175-177.8176.3-173.80111.9S55 S56 H57 Y61 D62 D63S55-K59 VanDerWaalsContact O-CB 3.3Å; S55-K59 WeakPolarHBondContact O-CB 3.47Å; S55-K59 PolarHBondContact O-N 2.87Å; S55-K59 VanDerWaalsContact O-N 3.12Å; S56-K59 PolarHBondContact O-N 2.71Å; H57-K59 VanDerWaalsContact C-N 3.35Å; H57-K59 PolarHBondContact O-N 3.03Å; K59-Y61 VanDerWaalsContact C-N 3.27Å; K59-Y61 PolarHBondContact O-N 3.35Å; K59-D62 WeakPolarHBondContact O-CB 3.42Å; K59-D62 PolarHBondContact O-N 3.27Å; K59-D62 VanDerWaalsContact O-N 3.16Å; K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.38Å
60L94.9Very high90Very high87 Ų8757.2 Ų57.246%0.45531%0.312SS..Hα-helixtrans-59.7-41.4177.1-176.5142.7000111.1S56 H57 D63 L64 F241S56-L60 WeakPolarHBondContact O-CB 3.13Å; S56-L60 PolarHBondContact O-N 3.46Å; H57-L60 WeakPolarHBondContact O-CB 3.18Å; H57-L60 PolarHBondContact O-N 3.14Å; L60-D63 PolarHBondContact O-N 3.25Å; L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.21Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 2.87Å; L60-F241 HydrophobicContact CD2-CE1 3.96Å; L60-F241 HydrophobicContact CD2-CZ 3.7Å
61Y94.7Very high88.9Confident4 Ų460.7 Ų60.72%0.01633%0.33CS..Hα-helixtrans-62.7-43.5174.6-173.5-101000112.6H57 R58 K59 D63 L64 V65 I198 E236 A237 Y240H57-Y61 PolarHBondContact O-N 3.1Å; R58-Y61 WeakPolarHBondContact O-CB 3.37Å; R58-Y61 PolarHBondContact O-N 3.44Å; K59-Y61 VanDerWaalsContact C-N 3.27Å; K59-Y61 PolarHBondContact O-N 3.35Å; Y61-D63 VanDerWaalsContact C-N 3.27Å; Y61-D63 PolarHBondContact O-N 2.93Å; Y61-L64 WeakPolarHBondContact O-CB 3.21Å; Y61-L64 PolarHBondContact O-N 2.93Å; Y61-L64 VanDerWaalsContact O-N 3.13Å; Y61-V65 HydrophobicContact CD1-CG2 3.96Å; Y61-V65 HydrophobicContact CE1-CG2 3.56Å; Y61-V65 WeakPolarHBondContact O-CG2 3.25Å; Y61-V65 PolarHBondContact O-N 3.19Å; Y61-I198 HydrophobicContact CE2-CD1 3.9Å; Y61-E236 HydrophobicContact CE1-CG 3.66Å; Y61-E236 WeakPolarHBondContact CE1-OE1 3.49Å; Y61-E236 WeakPolarHBondContact OH-CG 3.5Å; Y61-E236 PolarHBondContact OH-OE1 3.27Å; Y61-A237 HydrophobicContact CD1-CB 3.62Å; Y61-A237 HydrophobicContact CE1-CB 4.38Å; Y61-A237 HydrophobicContact CG-CB 3.79Å; Y61-Y240 AromaticContact CD2-CD1 3.47Å; Y61-Y240 HydrophobicContact CD2-CD1 3.47Å; Y61-Y240 VanDerWaalsContact CD2-CD1 3.47Å; Y61-Y240 HydrophobicContact CD2-CD2 4.29Å; Y61-Y240 HydrophobicContact CD2-CE1 4.21Å; Y61-Y240 AromaticContact CD2-CG 3.54Å; Y61-Y240 HydrophobicContact CD2-CG 3.54Å; Y61-Y240 AromaticContact CE2-CD1 3.79Å; Y61-Y240 HydrophobicContact CE2-CD1 3.79Å; Y61-Y240 AromaticContact CE2-CD2 3.76Å; Y61-Y240 HydrophobicContact CE2-CD2 3.76Å; Y61-Y240 AromaticContact CE2-CG 3.32Å; Y61-Y240 HydrophobicContact CE2-CG 3.32Å
62D92.3Very high87.7Confident84 Ų8457.8 Ų57.845%0.44930%0.304SS..Hα-helixtrans-59.1-40.8175.7-66-25.8000111.3R58 K59 V65 Q66R58-D62 VanDerWaalsContact O-CG 3.3Å; R58-D62 PolarHBondContact O-N 2.99Å; K59-D62 WeakPolarHBondContact O-CB 3.42Å; K59-D62 PolarHBondContact O-N 3.27Å; K59-D62 VanDerWaalsContact O-N 3.16Å; D62-V65 PolarHBondContact O-N 2.84Å; D62-Q66 WeakPolarHBondContact O-CG 3.33Å; D62-Q66 PolarHBondContact O-N 3.4Å
63D92Very high86Confident90 Ų9055.3 Ų55.348%0.48128%0.279SS..Hα-helixtrans-63.2-40.8175.7-64.8-27.3000111.3K59 L60 Y61 Q66 E67K59-D63 VanDerWaalsContact O-CG 3.31Å; K59-D63 PolarHBondContact O-N 3.38Å; L60-D63 PolarHBondContact O-N 3.25Å; Y61-D63 VanDerWaalsContact C-N 3.27Å; Y61-D63 PolarHBondContact O-N 2.93Å; D63-Q66 PolarHBondContact O-N 3.44Å; D63-E67 WeakPolarHBondContact O-CB 3.35Å; D63-E67 PolarHBondContact O-N 3.46Å
64L92.2Very high84.2Confident17 Ų1755.2 Ų55.29%0.08928%0.284CS..Hα-helixtrans-65-38.1175.3-65.9172.8000112.8L60 Y61 Q66 E67 F68 I198 L202 Y240L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.21Å; L60-L64 VanDerWaalsContact O-CG 3.3Å; L60-L64 WeakPolarHBondContact O-CG 3.49Å; L60-L64 PolarHBondContact O-N 2.87Å; Y61-L64 WeakPolarHBondContact O-CB 3.21Å; Y61-L64 PolarHBondContact O-N 2.93Å; Y61-L64 VanDerWaalsContact O-N 3.13Å; L64-Q66 VanDerWaalsContact C-N 3.35Å; L64-E67 PolarHBondContact O-N 2.89Å; L64-F68 HydrophobicContact CB-CD2 4.49Å; L64-F68 HydrophobicContact CD2-CD2 4.46Å; L64-F68 HydrophobicContact CD2-CE2 3.84Å; L64-F68 PolarHBondContact O-N 3.37Å; L64-I198 HydrophobicContact CB-CG2 4.08Å; L64-I198 HydrophobicContact CD1-CG2 4.19Å; L64-L202 HydrophobicContact CD1-CD1 3.67Å; L64-L202 HydrophobicContact CD2-CD1 3.91Å; L64-L202 HydrophobicContact CD2-CD2 4.09Å; L64-L202 HydrophobicContact CD2-CG 4.43Å; L64-L202 HydrophobicContact CG-CD1 4.4Å; L64-Y240 HydrophobicContact CD1-CE1 4.15Å
65V90.1Very high82.2Confident4 Ų458 Ų582%0.02430%0.304CS..Hα-helixtrans-62.7-45.7175172.50000109.6Y61 D62 V69 V70 I133 I198Y61-V65 HydrophobicContact CD1-CG2 3.96Å; Y61-V65 HydrophobicContact CE1-CG2 3.56Å; Y61-V65 WeakPolarHBondContact O-CG2 3.25Å; Y61-V65 PolarHBondContact O-N 3.19Å; D62-V65 PolarHBondContact O-N 2.84Å; V65-V69 HydrophobicContact CG1-CB 4.39Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V65-V69 WeakPolarHBondContact O-CA 3.45Å; V65-V69 WeakPolarHBondContact O-CB 3.44Å; V65-V69 PolarHBondContact O-N 3.36Å; V65-V70 PolarHBondContact O-N 3.24Å; V65-I133 HydrophobicContact CG1-CD1 4.05Å; V65-I198 HydrophobicContact CB-CD1 4.42Å; V65-I198 HydrophobicContact CG2-CD1 3.58Å
66Q86.8Confident80.3Confident80 Ų8056.5 Ų56.537%0.37429%0.291SS..Iπ-helixtrans-60.9-46.9176.9-68.2-71.5-5.600111.8D62 D63 L64 V70 H71 I133D62-Q66 WeakPolarHBondContact O-CG 3.33Å; D62-Q66 PolarHBondContact O-N 3.4Å; D63-Q66 PolarHBondContact O-N 3.44Å; L64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-V70 WeakPolarHBondContact O-CB 3.45Å; Q66-V70 PolarHBondContact O-N 3.13Å; Q66-H71 PolarHBondContact O-N 3.38Å; Q66-I133 HydrophobicContact CG-CD1 4.24Å; Q66-I133 VanDerWaalsContact NE2-CG1 3.31Å
67E86.4Confident78.2Confident114 Ų11458.2 Ų58.253%0.53330%0.295SS..Iπ-helixtrans-65.8-48-177.2-172.9-178.3164.700112.7D63 L64 H71D63-E67 WeakPolarHBondContact O-CB 3.35Å; D63-E67 PolarHBondContact O-N 3.46Å; L64-E67 PolarHBondContact O-N 2.89Å; E67-H71 VanDerWaalsContact O-CB 3.27Å; E67-H71 WeakPolarHBondContact O-CB 3.42Å
68F84.8Confident76.1Confident35 Ų3561.2 Ų61.215%0.15431%0.308CS..Iπ-helixtrans-94.7-24.6-171.3-62.9-45.2000114.6L64 I198 K201 L202L64-F68 HydrophobicContact CB-CD2 4.49Å; L64-F68 HydrophobicContact CD2-CD2 4.46Å; L64-F68 HydrophobicContact CD2-CE2 3.84Å; L64-F68 PolarHBondContact O-N 3.37Å; F68-I198 HydrophobicContact CD2-CG2 4.33Å; F68-K201 HydrophobicContact CB-CG 4.38Å; F68-K201 HydrophobicContact CD1-CB 4.18Å; F68-K201 HydrophobicContact CD1-CG 4.39Å; F68-K201 HydrophobicContact CD2-CB 4.04Å; F68-K201 HydrophobicContact CE1-CB 4.35Å; F68-K201 HydrophobicContact CE2-CB 4.17Å; F68-K201 HydrophobicContact CG-CB 4.04Å; F68-K201 HydrophobicContact CG-CG 4.22Å; F68-K201 HydrophobicContact CZ-CB 4.34Å; F68-L202 HydrophobicContact CE2-CD1 4.39Å; F68-L202 HydrophobicContact CE2-CD2 3.8Å; F68-L202 HydrophobicContact CE2-CG 3.75Å; F68-L202 HydrophobicContact CZ-CD2 4.01Å; F68-L202 HydrophobicContact CZ-CG 4.35Å
69V80.8Confident73.7Confident2 Ų269.4 Ų69.41%0.01235%0.348CS..Iπ-helixtrans-106.8-30.9-173.1-168.90000112.2V65 W72 M134 L142 R194 F197 I198V65-V69 HydrophobicContact CG1-CB 4.39Å; V65-V69 HydrophobicContact CG1-CG2 4.46Å; V65-V69 WeakPolarHBondContact O-CA 3.45Å; V65-V69 WeakPolarHBondContact O-CB 3.44Å; V65-V69 PolarHBondContact O-N 3.36Å; V69-W72 PolarHBondContact O-NE1 2.93Å; V69-M134 HydrophobicContact CG1-CE 3.25Å; V69-L142 HydrophobicContact CG1-CD1 4.26Å; V69-L142 HydrophobicContact CG1-CD2 3.98Å; V69-L142 HydrophobicContact CG1-CG 3.94Å; V69-L142 HydrophobicContact CG2-CD1 4.46Å; V69-R194 HydrophobicContact CG2-CG 4.15Å; V69-F197 HydrophobicContact CG2-CD1 4.43Å; V69-I198 HydrophobicContact CG2-CD1 4.33Å; V69-I198 HydrophobicContact CG2-CG1 4.25Å
70V74Confident71.2Confident24 Ų2466.5 Ų66.515%0.14536%0.357CS..Iπ-helixtrans-101.8-46-175.2-1730000111.3V65 Q66 W72 E73 I133V65-V70 PolarHBondContact O-N 3.24Å; Q66-V70 WeakPolarHBondContact O-CB 3.45Å; Q66-V70 PolarHBondContact O-N 3.13Å; V70-W72 PolarHBondContact O-N 3.05Å; V70-W72 VanDerWaalsContact O-N 3.08Å; V70-E73 WeakPolarHBondContact O-CB 3.31Å; V70-E73 PolarHBondContact O-N 3.49Å; V70-I133 HydrophobicContact CB-CG2 4.46Å; V70-I133 HydrophobicContact CG1-CG2 4.15Å; V70-I133 HydrophobicContact CG2-CB 4.44Å; V70-I133 HydrophobicContact CG2-CG2 3.44Å; V70-I133 VanDerWaalsContact CG2-CG2 3.44Å
71H66.6Low68.6Low111 Ų11166 Ų6651%0.51436%0.361SS..Hα-helixtrans-59.5-27.7-172.3-170.644.8000114.2Q66 E67 E73 T74Q66-H71 PolarHBondContact O-N 3.38Å; E67-H71 VanDerWaalsContact O-CB 3.27Å; E67-H71 WeakPolarHBondContact O-CB 3.42Å; H71-E73 PolarHBondContact O-N 3.07Å; H71-T74 WeakPolarHBondContact O-CB 3.45Å; H71-T74 PolarHBondContact O-N 3.33Å; H71-T74 PolarHBondContact O-OG1 3.09Å
72W63.7Low66.3Low39 Ų3972.8 Ų72.815%0.14840%0.397CS..Hα-helixtrans-64.1-27.5178.979.6-88.1000112.9V69 V70 T74 C75 T76 Y99 V140 R145V69-W72 PolarHBondContact O-NE1 2.93Å; V70-W72 PolarHBondContact O-N 3.05Å; V70-W72 VanDerWaalsContact O-N 3.08Å; W72-T74 VanDerWaalsContact C-N 3.33Å; W72-C75 WeakPolarHBondContact O-CB 3.25Å; W72-C75 PolarHBondContact O-N 3.11Å; W72-T76 HydrophobicContact CE3-CG2 3.81Å; W72-T76 HydrophobicContact CZ3-CG2 3.78Å; W72-T76 PolarHBondContact O-N 3.38Å; W72-Y99 HydrophobicContact CD2-CD2 4.31Å; W72-Y99 AromaticContact CD2-CE2 3.88Å; W72-Y99 HydrophobicContact CD2-CE2 3.88Å; W72-Y99 AromaticContact CE3-CD2 3.71Å; W72-Y99 HydrophobicContact CE3-CD2 3.71Å; W72-Y99 AromaticContact CE3-CE2 3.19Å; W72-Y99 HydrophobicContact CE3-CE2 3.19Å; W72-Y99 HydrophobicContact CH2-CE2 4.01Å; W72-Y99 HydrophobicContact CZ3-CD2 4.19Å; W72-Y99 AromaticContact CZ3-CE2 3.26Å; W72-Y99 HydrophobicContact CZ3-CE2 3.26Å; W72-Y99 AromaticContact CZ3-CZ 3.72Å; W72-V140 HydrophobicContact CZ2-CB 4.3Å; W72-R145 HydrophobicContact CH2-CG 3.7Å; W72-R145 HydrophobicContact CZ2-CG 3.44Å; W72-R145 VanDerWaalsContact CZ2-CG 3.44Å; W72-R145 VanDerWaalsContact NE1-NH1 3.18Å
73E56.3Low64.4Low22 Ų2276.2 Ų76.210%0.10342%0.421CS..Hα-helixtrans-70.6-32.3177.9-64.6-176165.400112.2V70 H71 C75 T76 N77 A139 V140V70-E73 WeakPolarHBondContact O-CB 3.31Å; V70-E73 PolarHBondContact O-N 3.49Å; H71-E73 PolarHBondContact O-N 3.07Å; E73-C75 PolarHBondContact O-N 3.11Å; E73-T76 PolarHBondContact O-N 3.39Å; E73-T76 VanDerWaalsContact O-N 3.1Å; E73-T76 PolarHBondContact O-OG1 2.92Å; E73-N77 WeakPolarHBondContact O-CB 3.47Å; E73-N77 PolarHBondContact O-N 3Å; E73-A139 VanDerWaalsContact OE1-CA 3.3Å; E73-A139 WeakPolarHBondContact OE1-CA 3.39Å; E73-A139 WeakPolarHBondContact OE2-CA 3.47Å; E73-V140 WeakPolarHBondContact OE1-CA 3.36Å; E73-V140 WeakPolarHBondContact OE1-CB 3.03Å; E73-V140 PolarHBondContact OE1-N 2.87Å
74T54.1Low62.6Low63 Ų6376.1 Ų76.139%0.38743%0.433SS..Hα-helixtrans-63.5-37174.9-350000109.7H71 W72 T76 E78H71-T74 WeakPolarHBondContact O-CB 3.45Å; H71-T74 PolarHBondContact O-N 3.33Å; H71-T74 PolarHBondContact O-OG1 3.09Å; W72-T74 VanDerWaalsContact C-N 3.33Å; T74-T76 VanDerWaalsContact C-N 3.28Å; T74-T76 PolarHBondContact O-N 3.24Å; T74-E78 HydrophobicContact CG2-CG 4.36Å; T74-E78 WeakPolarHBondContact O-CG 3.48Å; T74-E78 PolarHBondContact O-N 3.25Å
75C49.8Very low61.1Low69 Ų6978.1 Ų78.147%0.46644%0.444SS..Hα-helixtrans-68.3-21.9174.8-56.50000114W72 E73W72-C75 WeakPolarHBondContact O-CB 3.25Å; W72-C75 PolarHBondContact O-N 3.11Å; E73-C75 PolarHBondContact O-N 3.11Å
76T52.7Low60.2Low47 Ų4782.6 Ų82.629%0.28846%0.464SS..Hα-helixtrans-96.4-27.6178.861.30000113.7W72 E73 T74 W96W72-T76 HydrophobicContact CE3-CG2 3.81Å; W72-T76 HydrophobicContact CZ3-CG2 3.78Å; W72-T76 PolarHBondContact O-N 3.38Å; E73-T76 PolarHBondContact O-N 3.39Å; E73-T76 VanDerWaalsContact O-N 3.1Å; E73-T76 PolarHBondContact O-OG1 2.92Å; T74-T76 VanDerWaalsContact C-N 3.28Å; T74-T76 PolarHBondContact O-N 3.24Å; T76-W96 HydrophobicContact CG2-CH2 3.52Å; T76-W96 HydrophobicContact CG2-CZ2 4.02Å; T76-W96 HydrophobicContact CG2-CZ3 4.09Å
77N49.3Very low59.3Low113 Ų11381.8 Ų81.860%0.60447%0.466SS*.Hα-helixtrans-102-6.1-171.8-63.2-12.1000113.7E73 E79E73-N77 WeakPolarHBondContact O-CB 3.47Å; E73-N77 PolarHBondContact O-N 3Å; N77-E79 PolarHBondContact O-N 2.96Å
78E48.8Very low58.4Low113 Ų11383.3 Ų83.353%0.52848%0.477SS..  trans-71.582.1168.3-78.5-173-164.100110T74 G80 S81T74-E78 HydrophobicContact CG2-CG 4.36Å; T74-E78 WeakPolarHBondContact O-CG 3.48Å; T74-E78 PolarHBondContact O-N 3.25Å; E78-G80 PolarHBondContact O-N 3.23Å; E78-S81 VanDerWaalsContact OE2-CB 3.23Å; E78-S81 WeakPolarHBondContact OE2-CB 3.29Å
79E43.5Very low57.7Low205 Ų20582.4 Ų82.496%0.95848%0.475SS*.THydrogen-bonded Turntrans-60.516.5166.5-64.9-174.5155.400113.3N77N77-E79 PolarHBondContact O-N 2.96Å
80G40.9Very low57Low74 Ų7486.9 Ų86.976%0.76351%0.512SS*.THydrogen-bonded Turntrans-149.1-1.8-165.500000118.8E78E78-G80 PolarHBondContact O-N 3.23Å
81S40.5Very low56.7Low77 Ų7791.6 Ų91.654%0.53853%0.532SS..SBendtrans-134.4108.2-179.2-163.80000111.6E78E78-S81 VanDerWaalsContact OE2-CB 3.23Å; E78-S81 WeakPolarHBondContact OE2-CB 3.29Å
82N47Very low56.9Low146 Ų14692.1 Ų92.178%0.78155%0.546SS*.  trans69.884.9-177-71.8-18.3000117.2A84N82-A84 PolarHBondContact O-N 2.91Å
83T51.8Low57.3Low156 Ų15695.9 Ų95.996%0.95757%0.573SS**THydrogen-bonded Turntrans-6114173.354.40000116.6
84A54.7Low58.1Low87 Ų8795 Ų9572%0.71957%0.57SS**THydrogen-bonded Turntrans-102.5-28.7-176.700000113.4N82 H86N82-A84 PolarHBondContact O-N 2.91Å; A84-H86 PolarHBondContact O-N 2.97Å
85D61.2Low59Low60 Ų6095.4 Ų95.432%0.32157%0.573SS.*  trans-102.391.6-169.3-124.9-20.1000111.6S89 S94 P95 W96D85-S89 VanDerWaalsContact OD1-CB 3.23Å; D85-S89 WeakPolarHBondContact OD1-CB 3.49Å; D85-S89 PolarHBondContact OD1-OG 3.42Å; D85-S94 VanDerWaalsContact CG-OG 3.26Å; D85-S94 WeakPolarHBondContact OD1-CB 3.22Å; D85-S94 PolarHBondContact OD1-OG 2.8Å; D85-S94 PolarHBondContact OD2-OG 3.36Å; D85-P95 WeakPolarHBondContact OD2-CD 3.36Å; D85-W96 PolarHBondContact O-NE1 3.23Å; D85-W96 VanDerWaalsContact O-NE1 3.13Å
86H70.1Confident60.2Low97 Ų9794.4 Ų94.445%0.44956%0.559SS.*  trans-97.6162178.581.7-25.1000111.7A84 L88 S89 W96A84-H86 PolarHBondContact O-N 2.97Å; H86-L88 VanDerWaalsContact CE1-CB 3.49Å; H86-L88 WeakPolarHBondContact CE1-CB 3.38Å; H86-L88 PolarHBondContact CE1-O 2.63Å; H86-L88 VanDerWaalsContact CE1-O 3.28Å; H86-L88 VanDerWaalsContact ND1-C 3.33Å; H86-L88 PolarHBondContact ND1-N 3.11Å; H86-L88 WeakPolarHBondContact NE2-CB 3.25Å; H86-L88 PolarHBondContact O-N 3.22Å; H86-S89 PolarHBondContact CE1-N 2.87Å; H86-S89 WeakPolarHBondContact ND1-CA 3.27Å; H86-S89 PolarHBondContact ND1-N 2.95Å; H86-S89 WeakPolarHBondContact O-CB 3.21Å; H86-S89 PolarHBondContact O-N 3.19Å; H86-W96 VanDerWaalsContact C-CD1 3.47Å
87P68.4Low61.2Low63 Ų6393.7 Ų93.741%0.40956%0.556SS.*THydrogen-bonded Turntrans-60-10.7179.120.1-32.9000115.7W96 F100P87-W96 HydrophobicContact CB-CD2 3.88Å; P87-W96 HydrophobicContact CB-CE3 3.78Å; P87-W96 HydrophobicContact CB-CH2 4.15Å; P87-W96 HydrophobicContact CB-CZ2 4.23Å; P87-W96 HydrophobicContact CB-CZ3 3.93Å; P87-W96 HydrophobicContact CG-CZ2 4.42Å; P87-F100 HydrophobicContact CB-CZ 4.18Å; P87-F100 WeakPolarHBondContact O-CE2 3.33Å; P87-F100 WeakPolarHBondContact O-CZ 3.16Å
88L68.3Low62.6Low146 Ų14692.4 Ų92.476%0.76455%0.546SS*.THydrogen-bonded Turntrans-101.713173.4-57.4166.9000112.1H86 A90H86-L88 VanDerWaalsContact CE1-CB 3.49Å; H86-L88 WeakPolarHBondContact CE1-CB 3.38Å; H86-L88 PolarHBondContact CE1-O 2.63Å; H86-L88 VanDerWaalsContact CE1-O 3.28Å; H86-L88 VanDerWaalsContact ND1-C 3.33Å; H86-L88 PolarHBondContact ND1-N 3.11Å; H86-L88 WeakPolarHBondContact NE2-CB 3.25Å; H86-L88 PolarHBondContact O-N 3.22Å; L88-A90 PolarHBondContact O-N 3.2Å
89S68.7Low64.1Low17 Ų1788.8 Ų88.812%0.11953%0.528CS..  trans-67.3118.5-177.5177.20000108.7D85 H86 E91D85-S89 VanDerWaalsContact OD1-CB 3.23Å; D85-S89 WeakPolarHBondContact OD1-CB 3.49Å; D85-S89 PolarHBondContact OD1-OG 3.42Å; H86-S89 PolarHBondContact CE1-N 2.87Å; H86-S89 WeakPolarHBondContact ND1-CA 3.27Å; H86-S89 PolarHBondContact ND1-N 2.95Å; H86-S89 WeakPolarHBondContact O-CB 3.21Å; H86-S89 PolarHBondContact O-N 3.19Å; S89-E91 VanDerWaalsContact C-N 3.26Å
90A67.1Low65.9Low95 Ų9583.5 Ų83.579%0.78550%0.502SS*.  trans-85.80.5177.600000112.4L88L88-A90 PolarHBondContact O-N 3.2Å
91E67.3Low67.9Low124 Ų12485.1 Ų85.158%0.57949%0.488SS*.  trans-71.1127.8-179.9-68.1-166.6174.300110.2S89 T93 S94S89-E91 VanDerWaalsContact C-N 3.26Å; E91-T93 PolarHBondContact O-N 2.87Å; E91-T93 VanDerWaalsContact O-N 3.08Å; E91-S94 WeakPolarHBondContact O-CB 3.25Å; E91-S94 PolarHBondContact O-N 3.35Å
92P70.6Confident70Confident122 Ų12282.5 Ų82.579%0.79247%0.468SS*.THydrogen-bonded Turntrans-65.3-16.4-17624-32.1000113.5S94P92-S94 VanDerWaalsContact C-N 3.35Å
93T72Confident71.8Confident118 Ų11875.8 Ų75.872%0.72443%0.432SS*.THydrogen-bonded Turntrans-83.9-8.7174.545.20000113.5E91E91-T93 PolarHBondContact O-N 2.87Å; E91-T93 VanDerWaalsContact O-N 3.08Å
94S72.6Confident73.4Confident4 Ų475.2 Ų75.23%0.02842%0.419CS..  trans-65.6132.5-178-175.50000111.4D85 E91 P92 W96 C97D85-S94 VanDerWaalsContact CG-OG 3.26Å; D85-S94 WeakPolarHBondContact OD1-CB 3.22Å; D85-S94 PolarHBondContact OD1-OG 2.8Å; D85-S94 PolarHBondContact OD2-OG 3.36Å; E91-S94 WeakPolarHBondContact O-CB 3.25Å; E91-S94 PolarHBondContact O-N 3.35Å; P92-S94 VanDerWaalsContact C-N 3.35Å; S94-W96 PolarHBondContact O-N 2.84Å; S94-W96 VanDerWaalsContact O-N 3.13Å; S94-W96 WeakPolarHBondContact OG-CB 3.27Å; S94-W96 PolarHBondContact OG-N 3.38Å; S94-C97 WeakPolarHBondContact O-CB 3.4Å; S94-C97 PolarHBondContact O-N 3.36Å; S94-C97 VanDerWaalsContact O-N 3.07Å
95P73.7Confident75Confident71 Ų7172.2 Ų72.246%0.46139%0.391SS..Hα-helixtrans-54.6-29.3169.9-24.434.3000112.4D85 C97 Q98 Y99D85-P95 WeakPolarHBondContact OD2-CD 3.36Å; P95-C97 PolarHBondContact O-N 2.86Å; P95-Q98 PolarHBondContact O-N 2.87Å; P95-Y99 PolarHBondContact O-N 3.19Å
96W74Confident76.4Confident47 Ų4769.3 Ų69.318%0.17838%0.376CS..Hα-helixtrans-65.6-37.1177.8-69.5105000112.9T76 D85 H86 P87 S94 Q98 Y99 F100T76-W96 HydrophobicContact CG2-CH2 3.52Å; T76-W96 HydrophobicContact CG2-CZ2 4.02Å; T76-W96 HydrophobicContact CG2-CZ3 4.09Å; D85-W96 PolarHBondContact O-NE1 3.23Å; D85-W96 VanDerWaalsContact O-NE1 3.13Å; H86-W96 VanDerWaalsContact C-CD1 3.47Å; P87-W96 HydrophobicContact CB-CD2 3.88Å; P87-W96 HydrophobicContact CB-CE3 3.78Å; P87-W96 HydrophobicContact CB-CH2 4.15Å; P87-W96 HydrophobicContact CB-CZ2 4.23Å; P87-W96 HydrophobicContact CB-CZ3 3.93Å; P87-W96 HydrophobicContact CG-CZ2 4.42Å; S94-W96 PolarHBondContact O-N 2.84Å; S94-W96 VanDerWaalsContact O-N 3.13Å; S94-W96 WeakPolarHBondContact OG-CB 3.27Å; S94-W96 PolarHBondContact OG-N 3.38Å; W96-Q98 VanDerWaalsContact C-N 3.26Å; W96-Q98 PolarHBondContact O-N 3.45Å; W96-Y99 AromaticContact CE3-CD1 3.82Å; W96-Y99 HydrophobicContact CE3-CD1 3.82Å; W96-Y99 HydrophobicContact CE3-CE1 4.4Å; W96-Y99 HydrophobicContact CE3-CG 4.29Å; W96-Y99 AromaticContact CZ3-CD1 3.94Å; W96-Y99 HydrophobicContact CZ3-CD1 3.94Å; W96-Y99 HydrophobicContact CZ3-CE1 4.07Å; W96-Y99 WeakPolarHBondContact O-CB 3.31Å; W96-Y99 PolarHBondContact O-N 3.23Å; W96-F100 HydrophobicContact CB-CD2 4.46Å; W96-F100 HydrophobicContact CB-CE2 4.04Å; W96-F100 HydrophobicContact CE3-CE2 4.32Å; W96-F100 HydrophobicContact CE3-CZ 4.21Å; W96-F100 WeakPolarHBondContact O-CD2 3.48Å; W96-F100 PolarHBondContact O-N 3.39Å
97C74.7Confident77.2Confident32 Ų3266.7 Ų66.722%0.21637%0.365CS..Hα-helixtrans-59.5-39.9174.2-89.10000111.6S94 P95 K101S94-C97 WeakPolarHBondContact O-CB 3.4Å; S94-C97 PolarHBondContact O-N 3.36Å; S94-C97 VanDerWaalsContact O-N 3.07Å; P95-C97 PolarHBondContact O-N 2.86Å; C97-K101 VanDerWaalsContact O-CG 3.3Å; C97-K101 WeakPolarHBondContact O-CG 3.39Å; C97-K101 PolarHBondContact O-N 3Å
98Q78.9Confident78.1Confident86 Ų8667.4 Ų67.440%0.40236%0.363SS..Hα-helixtrans-72.3-40.1175.6-171.760.240.400111.2P95 W96 F100 K101 D102P95-Q98 PolarHBondContact O-N 2.87Å; W96-Q98 VanDerWaalsContact C-N 3.26Å; W96-Q98 PolarHBondContact O-N 3.45Å; Q98-F100 PolarHBondContact O-N 3.48Å; Q98-K101 PolarHBondContact O-N 2.85Å; Q98-D102 PolarHBondContact NE2-OD1 3.49Å; Q98-D102 WeakPolarHBondContact O-CB 3.3Å; Q98-D102 PolarHBondContact O-N 3.38Å
99Y79.8Confident79.2Confident37 Ų3760.4 Ų60.415%0.14533%0.326CS..Hα-helixtrans-56.5-46.5176.2178.6-99.9000112.4W72 P95 W96 D102 N103 R145W72-Y99 HydrophobicContact CD2-CD2 4.31Å; W72-Y99 AromaticContact CD2-CE2 3.88Å; W72-Y99 HydrophobicContact CD2-CE2 3.88Å; W72-Y99 AromaticContact CE3-CD2 3.71Å; W72-Y99 HydrophobicContact CE3-CD2 3.71Å; W72-Y99 AromaticContact CE3-CE2 3.19Å; W72-Y99 HydrophobicContact CE3-CE2 3.19Å; W72-Y99 HydrophobicContact CH2-CE2 4.01Å; W72-Y99 HydrophobicContact CZ3-CD2 4.19Å; W72-Y99 AromaticContact CZ3-CE2 3.26Å; W72-Y99 HydrophobicContact CZ3-CE2 3.26Å; W72-Y99 AromaticContact CZ3-CZ 3.72Å; P95-Y99 PolarHBondContact O-N 3.19Å; W96-Y99 AromaticContact CE3-CD1 3.82Å; W96-Y99 HydrophobicContact CE3-CD1 3.82Å; W96-Y99 HydrophobicContact CE3-CE1 4.4Å; W96-Y99 HydrophobicContact CE3-CG 4.29Å; W96-Y99 AromaticContact CZ3-CD1 3.94Å; W96-Y99 HydrophobicContact CZ3-CD1 3.94Å; W96-Y99 HydrophobicContact CZ3-CE1 4.07Å; W96-Y99 WeakPolarHBondContact O-CB 3.31Å; W96-Y99 PolarHBondContact O-N 3.23Å; Y99-D102 PolarHBondContact O-N 3.02Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.39Å; Y99-N103 VanDerWaalsContact CZ-ND2 3.27Å; Y99-N103 VanDerWaalsContact O-CB 3.31Å; Y99-N103 WeakPolarHBondContact O-CB 3.43Å; Y99-N103 VanDerWaalsContact O-CG 3.26Å; Y99-N103 PolarHBondContact O-N 3.06Å; Y99-N103 PolarHBondContact O-OD1 3.08Å; Y99-N103 PolarHBondContact OH-ND2 2.84Å; Y99-R145 VanDerWaalsContact CD2-NH2 3.27Å; Y99-R145 VanDerWaalsContact CE2-CZ 3.41Å
100F80.7Confident80.3Confident94 Ų9460.2 Ų60.241%0.41232%0.324SS..Hα-helixtrans-67.7-39177.9-66.7-59.9000112.7P87 W96 Q98 D102 N103 E104P87-F100 HydrophobicContact CB-CZ 4.18Å; P87-F100 WeakPolarHBondContact O-CE2 3.33Å; P87-F100 WeakPolarHBondContact O-CZ 3.16Å; W96-F100 HydrophobicContact CB-CD2 4.46Å; W96-F100 HydrophobicContact CB-CE2 4.04Å; W96-F100 HydrophobicContact CE3-CE2 4.32Å; W96-F100 HydrophobicContact CE3-CZ 4.21Å; W96-F100 WeakPolarHBondContact O-CD2 3.48Å; W96-F100 PolarHBondContact O-N 3.39Å; Q98-F100 PolarHBondContact O-N 3.48Å; F100-D102 VanDerWaalsContact C-N 3.33Å; F100-D102 PolarHBondContact O-N 2.87Å; F100-N103 WeakPolarHBondContact O-CB 3.41Å; F100-N103 PolarHBondContact O-N 3.01Å; F100-E104 PolarHBondContact O-N 3.1Å
101K82.8Confident81.2Confident109 Ų10960.4 Ų60.447%0.47431%0.307SS..Hα-helixtrans-63-40.9173.8-73.3171.7-174.9170.40112C97 Q98 N103 E104 V105C97-K101 VanDerWaalsContact O-CG 3.3Å; C97-K101 WeakPolarHBondContact O-CG 3.39Å; C97-K101 PolarHBondContact O-N 3Å; Q98-K101 PolarHBondContact O-N 2.85Å; K101-N103 VanDerWaalsContact C-N 3.31Å; K101-E104 PolarHBondContact O-N 2.9Å; K101-V105 PolarHBondContact O-N 2.68Å
102D85.8Confident82.2Confident22 Ų2255.2 Ų55.212%0.11828%0.283CS..Hα-helixtrans-64.5-40.1176.1-71.1-11.1000110.7Q98 Y99 F100 E104 V105 L106 F197 K201Q98-D102 PolarHBondContact NE2-OD1 3.49Å; Q98-D102 WeakPolarHBondContact O-CB 3.3Å; Q98-D102 PolarHBondContact O-N 3.38Å; Y99-D102 PolarHBondContact O-N 3.02Å; F100-D102 VanDerWaalsContact C-N 3.33Å; F100-D102 PolarHBondContact O-N 2.87Å; D102-E104 PolarHBondContact O-N 2.97Å; D102-V105 PolarHBondContact O-N 3.26Å; D102-L106 VanDerWaalsContact O-CB 3.28Å; D102-L106 WeakPolarHBondContact O-CB 3.47Å; D102-L106 PolarHBondContact O-N 3.23Å; D102-F197 HydrophobicContact CB-CE2 3.98Å; D102-F197 HydrophobicContact CB-CZ 4.03Å; D102-K201 WeakPolarHBondContact OD1-CD 3.48Å; D102-K201 IonicContact OD1-NZ 3.15Å; D102-K201 PolarHBondContact OD1-NZ 2.91Å; D102-K201 IonicContact OD2-NZ 3.37Å; D102-K201 PolarHBondContact OD2-NZ 3.39Å
103N84.3Confident83Confident5 Ų549.4 Ų49.43%0.02725%0.246CC..Hα-helixtrans-65-35.4177.4-84.66.6000113.3Y99 F100 K101 L106 L107 R145 I149Y99-N103 WeakPolarHBondContact CE1-ND2 3.39Å; Y99-N103 VanDerWaalsContact CZ-ND2 3.27Å; Y99-N103 VanDerWaalsContact O-CB 3.31Å; Y99-N103 WeakPolarHBondContact O-CB 3.43Å; Y99-N103 VanDerWaalsContact O-CG 3.26Å; Y99-N103 PolarHBondContact O-N 3.06Å; Y99-N103 PolarHBondContact O-OD1 3.08Å; Y99-N103 PolarHBondContact OH-ND2 2.84Å; F100-N103 WeakPolarHBondContact O-CB 3.41Å; F100-N103 PolarHBondContact O-N 3.01Å; K101-N103 VanDerWaalsContact C-N 3.31Å; N103-L106 PolarHBondContact O-N 2.97Å; N103-L107 WeakPolarHBondContact O-CB 3.32Å; N103-L107 PolarHBondContact O-N 2.86Å; N103-R145 PolarHBondContact OD1-NE 2.88Å; N103-R145 PolarHBondContact OD1-NH2 3.17Å; N103-I149 HydrophobicContact CB-CD1 3.58Å
104E86.2Confident83.7Confident143 Ų14345.8 Ų45.867%0.66822%0.219SC*.Hα-helixtrans-62.7-45.6172.1-74.5179.4178.300111.8F100 K101 D102 L107 Q108F100-E104 PolarHBondContact O-N 3.1Å; K101-E104 PolarHBondContact O-N 2.9Å; D102-E104 PolarHBondContact O-N 2.97Å; E104-L107 PolarHBondContact O-N 2.96Å; E104-Q108 PolarHBondContact O-N 3.4Å
105V88.4Confident84.2Confident24 Ų2452.6 Ų52.615%0.14524%0.244CC..Hα-helixtrans-63.4-44.9176.41760000110.2K101 D102 L107 Q108 I109 K207K101-V105 PolarHBondContact O-N 2.68Å; D102-V105 PolarHBondContact O-N 3.26Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.19Å; V105-Q108 WeakPolarHBondContact O-CB 3.4Å; V105-Q108 PolarHBondContact O-N 3.14Å; V105-Q108 VanDerWaalsContact O-N 3.11Å; V105-I109 HydrophobicContact CG1-CD1 3.92Å; V105-I109 HydrophobicContact CG1-CG1 4.47Å; V105-I109 WeakPolarHBondContact O-CG1 3.34Å; V105-I109 PolarHBondContact O-N 2.79Å; V105-K207 HydrophobicContact CG2-CD 4.42Å
106L89.6Confident84.5Confident0 Ų049.6 Ų49.60%022%0.224CC..Hα-helixtrans-64.4-37.6-179.5-169.366.7000112.2D102 N103 Q108 I109 N110 L142 R145 V146 E193 F197D102-L106 VanDerWaalsContact O-CB 3.28Å; D102-L106 WeakPolarHBondContact O-CB 3.47Å; D102-L106 PolarHBondContact O-N 3.23Å; N103-L106 PolarHBondContact O-N 2.97Å; L106-Q108 VanDerWaalsContact C-N 3.26Å; L106-Q108 PolarHBondContact O-N 3.43Å; L106-I109 PolarHBondContact O-N 3.42Å; L106-N110 VanDerWaalsContact O-CB 3.3Å; L106-N110 WeakPolarHBondContact O-CB 3.31Å; L106-N110 PolarHBondContact O-N 3.19Å; L106-L142 HydrophobicContact CD1-CB 4Å; L106-L142 HydrophobicContact CD1-CD1 4.18Å; L106-L142 HydrophobicContact CD1-CD2 4.43Å; L106-L142 HydrophobicContact CD1-CG 4.44Å; L106-L142 HydrophobicContact CD2-CB 4Å; L106-L142 HydrophobicContact CD2-CD2 4.02Å; L106-L142 WeakPolarHBondContact CD2-O 3.17Å; L106-R145 HydrophobicContact CD2-CB 4.19Å; L106-V146 HydrophobicContact CB-CG2 4.12Å; L106-V146 HydrophobicContact CD2-CG2 3.67Å; L106-V146 HydrophobicContact CG-CG2 3.54Å; L106-E193 HydrophobicContact CD1-CG 3.86Å; L106-F197 HydrophobicContact CB-CD2 4.31Å; L106-F197 HydrophobicContact CB-CE2 4.37Å; L106-F197 HydrophobicContact CD1-CB 4.15Å; L106-F197 HydrophobicContact CD1-CD2 3.7Å; L106-F197 HydrophobicContact CD1-CE2 4.35Å; L106-F197 HydrophobicContact CD1-CG 4.02Å
107L87.7Confident84.4Confident41 Ų4148 Ų4822%0.21522%0.218CC..Hα-helixtrans-60-36.8173.5177.568000111.9N103 E104 V105 K111 V146N103-L107 WeakPolarHBondContact O-CB 3.32Å; N103-L107 PolarHBondContact O-N 2.86Å; E104-L107 PolarHBondContact O-N 2.96Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.19Å; L107-K111 WeakPolarHBondContact O-CD 3.48Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.29Å; L107-K111 PolarHBondContact O-N 3.31Å; L107-V146 HydrophobicContact CB-CG1 4.15Å; L107-V146 HydrophobicContact CD1-CG1 3.34Å; L107-V146 HydrophobicContact CG-CG1 4.34Å
108Q87.4Confident84.3Confident78 Ų7850.4 Ų50.436%0.36423%0.233SC..Hα-helixtrans-70.4-46.9175.9-162.9-173-29.900111.1E104 V105 L106 N110 K111 D112 Y208E104-Q108 PolarHBondContact O-N 3.4Å; V105-Q108 WeakPolarHBondContact O-CB 3.4Å; V105-Q108 PolarHBondContact O-N 3.14Å; V105-Q108 VanDerWaalsContact O-N 3.11Å; L106-Q108 VanDerWaalsContact C-N 3.26Å; L106-Q108 PolarHBondContact O-N 3.43Å; Q108-N110 PolarHBondContact O-N 3.2Å; Q108-K111 PolarHBondContact O-N 3.26Å; Q108-D112 PolarHBondContact O-N 2.88Å; Q108-Y208 HydrophobicContact CB-CD1 4.18Å; Q108-Y208 HydrophobicContact CB-CE1 4.27Å; Q108-Y208 HydrophobicContact CG-CD1 4.04Å; Q108-Y208 HydrophobicContact CG-CE1 3.84Å
109I91.7Very high83.8Confident0 Ų049.9 Ų49.90%023%0.23CC..Hα-helixtrans-56.9-51176.3-65.3169.2000110.2V105 L106 K111 D112 V113 E193 L196 F197 Y208V105-I109 HydrophobicContact CG1-CD1 3.92Å; V105-I109 HydrophobicContact CG1-CG1 4.47Å; V105-I109 WeakPolarHBondContact O-CG1 3.34Å; V105-I109 PolarHBondContact O-N 2.79Å; L106-I109 PolarHBondContact O-N 3.42Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.28Å; I109-D112 PolarHBondContact O-N 2.93Å; I109-V113 HydrophobicContact CG2-CG1 3.9Å; I109-V113 WeakPolarHBondContact O-CG1 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 3.36Å; I109-E193 HydrophobicContact CG2-CB 4.31Å; I109-E193 HydrophobicContact CG2-CG 3.94Å; I109-L196 HydrophobicContact CD1-CB 4.06Å; I109-L196 HydrophobicContact CG1-CB 4.35Å; I109-L196 HydrophobicContact CG2-CB 3.9Å; I109-L196 HydrophobicContact CG2-CD1 3.92Å; I109-F197 HydrophobicContact CD1-CB 4.31Å; I109-Y208 HydrophobicContact CD1-CD2 4.3Å; I109-Y208 HydrophobicContact CD1-CG 4.05Å; I109-Y208 HydrophobicContact CG1-CD1 3.58Å; I109-Y208 HydrophobicContact CG1-CD2 3.67Å; I109-Y208 HydrophobicContact CG1-CE1 4.01Å; I109-Y208 HydrophobicContact CG1-CE2 4.08Å; I109-Y208 HydrophobicContact CG1-CG 3.4Å
110N90.7Very high83.6Confident13 Ų1349.5 Ų49.57%0.0723%0.23CC..Hα-helixtrans-55.6-43.3-177.6-169.1-90.2000112.2L106 Q108 D112 V113 R114 V146 E193L106-N110 VanDerWaalsContact O-CB 3.3Å; L106-N110 WeakPolarHBondContact O-CB 3.31Å; L106-N110 PolarHBondContact O-N 3.19Å; Q108-N110 PolarHBondContact O-N 3.2Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-D112 PolarHBondContact O-N 2.85Å; N110-V113 WeakPolarHBondContact O-CG2 3.47Å; N110-R114 WeakPolarHBondContact O-CB 3.49Å; N110-R114 VanDerWaalsContact O-CG 3.27Å; N110-R114 WeakPolarHBondContact O-CG 3.28Å; N110-R114 PolarHBondContact O-N 2.78Å; N110-R114 WeakPolarHBondContact OD1-CD 3.36Å; N110-R114 PolarHBondContact OD1-NE 2.81Å; N110-V146 HydrophobicContact CB-CG1 4.31Å; N110-V146 HydrophobicContact CB-CG2 4.19Å; N110-E193 VanDerWaalsContact CB-OE1 3.24Å; N110-E193 WeakPolarHBondContact CB-OE1 3.11Å; N110-E193 PolarHBondContact ND2-OE1 3.11Å
111K86.7Confident83.7Confident99 Ų9948.8 Ų48.843%0.4324%0.237SC..Hα-helixtrans-62.5-40.9176.9-75170-176.7169.70112.2L107 Q108 I109 R115L107-K111 WeakPolarHBondContact O-CD 3.48Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.29Å; L107-K111 PolarHBondContact O-N 3.31Å; Q108-K111 PolarHBondContact O-N 3.26Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.28Å; K111-R115 WeakPolarHBondContact O-CD 3.47Å; K111-R115 WeakPolarHBondContact O-CG 3.41Å
112D87.2Confident83.9Confident14 Ų1444 Ų448%0.07522%0.216CC..Hα-helixtrans-80.1-38.2-174.4-72.2-12000112.3Q108 I109 N110 R115 L116 Y208 Q210 N213Q108-D112 PolarHBondContact O-N 2.88Å; I109-D112 PolarHBondContact O-N 2.93Å; N110-D112 VanDerWaalsContact C-N 3.34Å; N110-D112 PolarHBondContact O-N 2.85Å; D112-R115 CarbonylContact O-C 3.5Å; D112-R115 PolarHBondContact O-N 2.92Å; D112-L116 PolarHBondContact O-N 2.9Å; D112-L116 VanDerWaalsContact O-N 3.11Å; D112-Y208 WeakPolarHBondContact CB-OH 2.97Å; D112-Y208 VanDerWaalsContact CG-OH 3.27Å; D112-Y208 VanDerWaalsContact OD2-CE1 3.31Å; D112-Y208 WeakPolarHBondContact OD2-CE1 3.44Å; D112-Y208 PolarHBondContact OD2-OH 3.18Å; D112-Q210 WeakPolarHBondContact OD2-CG 3.43Å; D112-N213 HydrophobicContact CB-CB 4.35Å; D112-N213 PolarHBondContact O-ND2 2.76Å; D112-N213 VanDerWaalsContact O-ND2 3.09Å
113V89.2Confident84Confident1 Ų143.1 Ų43.11%0.00621%0.211CC..Hα-helixtrans-71.6-32.7177.2-59.80000112.6I109 N110 R115 L116 W189 V192 E193 L196 N213I109-V113 HydrophobicContact CG2-CG1 3.9Å; I109-V113 WeakPolarHBondContact O-CG1 3.22Å; I109-V113 WeakPolarHBondContact O-CG2 3.37Å; I109-V113 PolarHBondContact O-N 3.36Å; N110-V113 WeakPolarHBondContact O-CG2 3.47Å; V113-R115 PolarHBondContact O-N 2.9Å; V113-L116 WeakPolarHBondContact O-CB 3.14Å; V113-L116 PolarHBondContact O-N 3.35Å; V113-L116 VanDerWaalsContact O-N 3.11Å; V113-W189 HydrophobicContact CG2-CE3 3.89Å; V113-V192 HydrophobicContact CG1-CB 4.42Å; V113-V192 HydrophobicContact CG1-CG1 3.85Å; V113-E193 HydrophobicContact CG2-CB 4.17Å; V113-L196 HydrophobicContact CG1-CD1 3.63Å; V113-N213 HydrophobicContact CG1-CB 4.27Å
114R85.1Confident84.1Confident41 Ų4145.8 Ų45.816%0.15522%0.223CC..Hα-helixtrans-66.1-28.4173.7-77.4179.1171.8-127.813.1112.7N110 D175 Y178 W189N110-R114 WeakPolarHBondContact O-CB 3.49Å; N110-R114 VanDerWaalsContact O-CG 3.27Å; N110-R114 WeakPolarHBondContact O-CG 3.28Å; N110-R114 PolarHBondContact O-N 2.78Å; N110-R114 WeakPolarHBondContact OD1-CD 3.36Å; N110-R114 PolarHBondContact OD1-NE 2.81Å; R114-D175 IonicContact CZ-OD1 2.69Å; R114-D175 IonicContact NH1-OD1 2.76Å; R114-D175 PolarHBondContact NH1-OD1 3.5Å; R114-D175 IonicContact NH2-OD1 2.99Å; R114-D175 PolarHBondContact NH2-OD1 3.46Å; R114-Y178 HydrophobicContact CB-CE2 4.42Å; R114-Y178 PolarHBondContact O-OH 3.34Å; R114-W189 HydrophobicContact CG-CD2 4.36Å; R114-W189 HydrophobicContact CG-CE3 4.24Å; R114-W189 HydrophobicContact CG-CZ3 4.4Å
115R82.8Confident84.2Confident148 Ų14845 Ų4556%0.55821%0.214SC*.THydrogen-bonded Turntrans-94.45.7175.7-62.5173.8-172.2177.10.9112.4K111 D112 V113 R117 P118K111-R115 WeakPolarHBondContact O-CD 3.47Å; K111-R115 WeakPolarHBondContact O-CG 3.41Å; D112-R115 CarbonylContact O-C 3.5Å; D112-R115 PolarHBondContact O-N 2.92Å; V113-R115 PolarHBondContact O-N 2.9Å; R115-R117 PolarHBondContact O-N 3.45Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R115-P118 WeakPolarHBondContact O-CD 3.18Å
116L80.2Confident84.3Confident7 Ų745.2 Ų45.24%0.03722%0.219CC..SBendtrans-70.4111.1178.8-176.864.1000108.6D112 V113 F123 V192 N213 E214D112-L116 PolarHBondContact O-N 2.9Å; D112-L116 VanDerWaalsContact O-N 3.11Å; V113-L116 WeakPolarHBondContact O-CB 3.14Å; V113-L116 PolarHBondContact O-N 3.35Å; V113-L116 VanDerWaalsContact O-N 3.11Å; L116-F123 HydrophobicContact CD2-CD1 3.93Å; L116-F123 HydrophobicContact CD2-CE1 3.68Å; L116-F123 HydrophobicContact CD2-CE2 4.33Å; L116-F123 HydrophobicContact CD2-CG 4.35Å; L116-F123 HydrophobicContact CD2-CZ 3.91Å; L116-F123 HydrophobicContact CG-CD2 4.38Å; L116-F123 HydrophobicContact CG-CE1 4.45Å; L116-F123 HydrophobicContact CG-CE2 4.25Å; L116-F123 HydrophobicContact CG-CZ 4.29Å; L116-V192 HydrophobicContact CD2-CG1 4.18Å; L116-N213 WeakPolarHBondContact CD1-O 3.39Å; L116-E214 HydrophobicContact CD1-CG 4.48Å
117R71.9Confident84.3Confident15 Ų1546 Ų466%0.05722%0.223CC..  trans52.362.3174.5-62.6-70.5179-148.7-0.3113.1R115 E119 M120 F123 S305 S309R115-R117 PolarHBondContact O-N 3.45Å; R115-R117 VanDerWaalsContact O-N 3.12Å; R117-E119 VanDerWaalsContact CA-OE2 3.28Å; R117-E119 WeakPolarHBondContact CA-OE2 3.49Å; R117-E119 WeakPolarHBondContact CD-OE1 3.15Å; R117-E119 IonicContact CZ-OE1 3.71Å; R117-E119 IonicContact NE-OE1 3.7Å; R117-E119 IonicContact NH1-OE1 3.53Å; R117-E119 PolarHBondContact NH1-OE1 3.07Å; R117-E119 PolarHBondContact O-N 2.88Å; R117-E119 VanDerWaalsContact O-N 3.12Å; R117-M120 HydrophobicContact CB-CB 4.06Å; R117-M120 WeakPolarHBondContact O-CA 3.02Å; R117-M120 WeakPolarHBondContact O-CB 3.45Å; R117-M120 PolarHBondContact O-N 3.2Å; R117-F123 HydrophobicContact CB-CD2 3.94Å; R117-F123 HydrophobicContact CB-CE2 3.82Å; R117-F123 HydrophobicContact CG-CE2 4.01Å; R117-S305 PolarHBondContact NH1-O 3.47Å; R117-S305 VanDerWaalsContact NH2-C 3.31Å; R117-S305 PolarHBondContact NH2-O 3.32Å; R117-S305 PolarHBondContact NH2-OG 3.37Å; R117-S309 PolarHBondContact NH1-OG 3.04Å; R117-S309 VanDerWaalsContact NH1-OG 3.09Å
118P73.2Confident84.1Confident82 Ų8249.4 Ų49.453%0.53224%0.242SC..THydrogen-bonded Turntrans-60.4-22.8-179.228.1-37000113.4R115 M120R115-P118 WeakPolarHBondContact O-CD 3.18Å; P118-M120 PolarHBondContact O-N 3.41Å
119E69.4Low84.1Confident75 Ų7549 Ų4935%0.3524%0.238SC..THydrogen-bonded Turntrans-63.3-19.9171.467.1-84.4-159.300113.2R117R117-E119 VanDerWaalsContact CA-OE2 3.28Å; R117-E119 WeakPolarHBondContact CA-OE2 3.49Å; R117-E119 WeakPolarHBondContact CD-OE1 3.15Å; R117-E119 IonicContact CZ-OE1 3.71Å; R117-E119 IonicContact NE-OE1 3.7Å; R117-E119 IonicContact NH1-OE1 3.53Å; R117-E119 PolarHBondContact NH1-OE1 3.07Å; R117-E119 PolarHBondContact O-N 2.88Å; R117-E119 VanDerWaalsContact O-N 3.12Å
120M75.3Confident83.7Confident28 Ų2850.7 Ų50.714%0.13825%0.249CC..  trans-109112.6-175.2-161.8-178.5-163.800110.8R117 P118 F122 F123 Y221 I316R117-M120 HydrophobicContact CB-CB 4.06Å; R117-M120 WeakPolarHBondContact O-CA 3.02Å; R117-M120 WeakPolarHBondContact O-CB 3.45Å; R117-M120 PolarHBondContact O-N 3.2Å; P118-M120 PolarHBondContact O-N 3.41Å; M120-F122 HydrophobicContact CE-CB 3.63Å; M120-F122 HydrophobicContact CE-CG 4.16Å; M120-F122 HydrophobicContact CG-CB 3.59Å; M120-F122 PolarHBondContact O-N 3.41Å; M120-F122 VanDerWaalsContact O-N 3.08Å; M120-F122 HydrophobicContact SD-CB 3.65Å; M120-F122 HydrophobicContact SD-CG 4.37Å; M120-F123 HydrophobicContact SD-CD2 4.4Å; M120-F123 HydrophobicContact SD-CE2 3.99Å; M120-Y221 HydrophobicContact CE-CD2 3.42Å; M120-Y221 VanDerWaalsContact CE-CD2 3.42Å; M120-Y221 HydrophobicContact CE-CE1 4.16Å; M120-Y221 HydrophobicContact CE-CE2 3Å; M120-Y221 HydrophobicContact CE-CG 4.17Å; M120-Y221 HydrophobicContact SD-CD2 4.16Å; M120-Y221 HydrophobicContact SD-CE2 4.29Å; M120-I316 HydrophobicContact CE-CB 4.02Å; M120-I316 HydrophobicContact CE-CG1 3.96Å; M120-I316 HydrophobicContact CE-CG2 3.68Å; M120-I316 HydrophobicContact SD-CB 4.09Å; M120-I316 HydrophobicContact SD-CD1 4.18Å; M120-I316 HydrophobicContact SD-CG1 3.9Å; M120-I316 HydrophobicContact SD-CG2 4.4Å
121S81.9Confident83.1Confident79 Ų7950.9 Ų50.955%0.55225%0.251SS*.G310 helixtrans-63.3-17.2175.161.80000113.1F123 Q124 R125S121-F123 PolarHBondContact O-N 2.96Å; S121-Q124 PolarHBondContact O-N 2.8Å; S121-Q124 VanDerWaalsContact O-N 3.11Å; S121-R125 WeakPolarHBondContact O-CG 3.39Å; S121-R125 PolarHBondContact O-N 3.28Å; S121-R125 VanDerWaalsContact O-N 3.14Å
122F87.9Confident82.5Confident10 Ų1052.6 Ų52.64%0.04426%0.258CS..G310 helixtrans-47.2-53.5-179.1-179.1-89.2000113.1M120 Q124 R125 H188 Y220 Y221 A224M120-F122 HydrophobicContact CE-CB 3.63Å; M120-F122 HydrophobicContact CE-CG 4.16Å; M120-F122 HydrophobicContact CG-CB 3.59Å; M120-F122 PolarHBondContact O-N 3.41Å; M120-F122 VanDerWaalsContact O-N 3.08Å; M120-F122 HydrophobicContact SD-CB 3.65Å; M120-F122 HydrophobicContact SD-CG 4.37Å; F122-Q124 PolarHBondContact O-N 3.31Å; F122-R125 PolarHBondContact O-N 3.01Å; F122-H188 HydrophobicContact CD1-CB 4.27Å; F122-H188 HydrophobicContact CE1-CB 3.95Å; F122-H188 AromaticContact CE1-CG 3.63Å; F122-H188 AromaticContact CE1-ND1 3.61Å; F122-H188 AromaticContact CE2-NE2 3.93Å; F122-H188 AromaticContact CZ-CD2 3.98Å; F122-H188 AromaticContact CZ-CE1 3.44Å; F122-H188 VanDerWaalsContact CZ-CE1 3.44Å; F122-H188 WeakPolarHBondContact CZ-CE1 3.17Å; F122-H188 AromaticContact CZ-CG 3.82Å; F122-H188 AromaticContact CZ-ND1 3.47Å; F122-H188 WeakPolarHBondContact CZ-ND1 3.09Å; F122-H188 AromaticContact CZ-NE2 3.73Å; F122-H188 PolarHBondContact O-CD2 3.41Å; F122-Y220 HydrophobicContact CE1-CD1 4.28Å; F122-Y220 HydrophobicContact CE1-CE1 4.12Å; F122-Y221 HydrophobicContact CB-CD2 4.44Å; F122-Y221 AromaticContact CD1-CD2 3.79Å; F122-Y221 HydrophobicContact CD1-CD2 3.79Å; F122-Y221 AromaticContact CD2-CD2 3.63Å; F122-Y221 HydrophobicContact CD2-CD2 3.63Å; F122-Y221 AromaticContact CD2-CE2 3.62Å; F122-Y221 HydrophobicContact CD2-CE2 3.62Å; F122-Y221 AromaticContact CE1-CD2 3.92Å; F122-Y221 HydrophobicContact CE1-CD2 3.92Å; F122-Y221 AromaticContact CE2-CD2 3.79Å; F122-Y221 HydrophobicContact CE2-CD2 3.79Å; F122-Y221 AromaticContact CE2-CE2 3.97Å; F122-Y221 HydrophobicContact CE2-CE2 3.97Å; F122-Y221 AromaticContact CG-CD2 3.67Å; F122-Y221 HydrophobicContact CG-CD2 3.67Å; F122-Y221 AromaticContact CG-CE2 3.98Å; F122-Y221 HydrophobicContact CG-CE2 3.98Å; F122-Y221 AromaticContact CZ-CD2 3.95Å; F122-Y221 HydrophobicContact CZ-CD2 3.95Å; F122-A224 HydrophobicContact CZ-CB 3.71Å
123F87.8Confident81.6Confident3 Ų353 Ų531%0.01326%0.26CS..G310 helixtrans-67.9-26.4-173.9-67.4-74.8000112.9L116 R117 M120 S121 H188 W189 V192 Y220L116-F123 HydrophobicContact CD2-CD1 3.93Å; L116-F123 HydrophobicContact CD2-CE1 3.68Å; L116-F123 HydrophobicContact CD2-CE2 4.33Å; L116-F123 HydrophobicContact CD2-CG 4.35Å; L116-F123 HydrophobicContact CD2-CZ 3.91Å; L116-F123 HydrophobicContact CG-CD2 4.38Å; L116-F123 HydrophobicContact CG-CE1 4.45Å; L116-F123 HydrophobicContact CG-CE2 4.25Å; L116-F123 HydrophobicContact CG-CZ 4.29Å; R117-F123 HydrophobicContact CB-CD2 3.94Å; R117-F123 HydrophobicContact CB-CE2 3.82Å; R117-F123 HydrophobicContact CG-CE2 4.01Å; M120-F123 HydrophobicContact SD-CD2 4.4Å; M120-F123 HydrophobicContact SD-CE2 3.99Å; S121-F123 PolarHBondContact O-N 2.96Å; F123-H188 HydrophobicContact CD1-CB 4.48Å; F123-H188 PolarHBondContact O-N 3.43Å; F123-W189 HydrophobicContact CB-CB 4.38Å; F123-W189 PolarHBondContact O-N 3.46Å; F123-V192 HydrophobicContact CD1-CG2 4.35Å; F123-V192 HydrophobicContact CE1-CG2 4.19Å; F123-Y220 HydrophobicContact CE1-CD1 4.22Å
124Q86.7Confident80.4Confident60 Ų6053.9 Ų53.928%0.2827%0.265SS..G310 helixtrans-85.7-17179.6-63.3169.314.500113.2S121 F122 Y178S121-Q124 PolarHBondContact O-N 2.8Å; S121-Q124 VanDerWaalsContact O-N 3.11Å; F122-Q124 PolarHBondContact O-N 3.31Å; Q124-Y178 HydrophobicContact CG-CD1 4.11Å; Q124-Y178 HydrophobicContact CG-CE1 4.33Å
125R88.4Confident79.4Confident126 Ų12653.4 Ų53.448%0.47527%0.266SS..SBendtrans-74.6154.9176.8-70.8-179.3-50.1134.514.2111.2S121 F122 A187 H188S121-R125 WeakPolarHBondContact O-CG 3.39Å; S121-R125 PolarHBondContact O-N 3.28Å; S121-R125 VanDerWaalsContact O-N 3.14Å; F122-R125 PolarHBondContact O-N 3.01Å; R125-A187 WeakPolarHBondContact O-CA 3.17Å; R125-H188 PolarHBondContact O-CD2 3.03Å; R125-H188 PolarHBondContact O-N 3.16Å
126A88.7Confident78.6Confident30 Ų3052.9 Ų52.925%0.24827%0.27CS..BIsolated β-bridgetrans-62.4137.1169.300000110.5L181 Q185 E186A126-L181 HydrophobicContact CB-CD1 4.09Å; A126-L181 HydrophobicContact CB-CD2 4.32Å; A126-Q185 HydrophobicContact CB-CB 4.3Å; A126-E186 CarbonylContact C-O 3.48Å; A126-E186 VanDerWaalsContact CA-O 3.25Å; A126-E186 WeakPolarHBondContact CA-O 3.12Å
127T89.6Confident77.8Confident15 Ų1558.1 Ų58.19%0.09230%0.298CS..PPolyproline II helixtrans-74.4144.5169.3177.60000110.3Y129 P130 E186 V191T127-Y129 PolarHBondContact O-N 2.91Å; T127-Y129 PolarHBondContact OG1-N 3.45Å; T127-Y129 VanDerWaalsContact OG1-N 3.17Å; T127-P130 HydrophobicContact CG2-CB 4.36Å; T127-E186 HydrophobicContact CG2-CB 3.96Å; T127-E186 HydrophobicContact CG2-CG 4.26Å; T127-E186 WeakPolarHBondContact CG2-O 3.48Å; T127-E186 PolarHBondContact N-O 3.11Å; T127-V191 HydrophobicContact CG2-CG2 4.02Å
128D85.3Confident77.3Confident114 Ų11459.8 Ų59.861%0.6132%0.32SS*.SBendtrans-66.3-18.8171.8-63.2-35.1000112R232D128-R232 IonicContact OD2-NH1 2.63Å
129Y87.3Confident77Confident69 Ų6956 Ų5627%0.27130%0.296SS..SBendtrans-129.175.9-175.6-56.3-73.9000110.6T127 V229 R232 K233T127-Y129 PolarHBondContact O-N 2.91Å; T127-Y129 PolarHBondContact OG1-N 3.45Å; T127-Y129 VanDerWaalsContact OG1-N 3.17Å; Y129-V229 WeakPolarHBondContact OH-CG1 3.45Å; Y129-R232 HydrophobicContact CD2-CG 4.41Å; Y129-R232 HydrophobicContact CE2-CB 3.98Å; Y129-R232 HydrophobicContact CE2-CG 3.92Å; Y129-K233 HydrophobicContact CD1-CB 3.99Å; Y129-K233 HydrophobicContact CD1-CG 3.83Å; Y129-K233 HydrophobicContact CD2-CB 4.5Å; Y129-K233 HydrophobicContact CE1-CB 3.79Å; Y129-K233 HydrophobicContact CE1-CD 4.47Å; Y129-K233 HydrophobicContact CE1-CG 3.94Å; Y129-K233 HydrophobicContact CE2-CB 4.32Å; Y129-K233 HydrophobicContact CG-CB 4.34Å; Y129-K233 HydrophobicContact CG-CG 4.4Å
130P82.7Confident77Confident36 Ų3655.2 Ų55.223%0.23430%0.296CS..  trans-67.2151.4173.330.3-35.4000110.5T127 K132 T135 E186T127-P130 HydrophobicContact CG2-CB 4.36Å; P130-K132 PolarHBondContact O-N 3.48Å; P130-T135 HydrophobicContact CB-CG2 3.71Å; P130-T135 HydrophobicContact CG-CG2 4.03Å; P130-E186 HydrophobicContact CB-CB 3.72Å
131C78.1Confident77Confident16 Ų1655.5 Ų55.511%0.10830%0.3CS..  trans-61.4109.8174-172.50000110.2I133 M134 T135 E186C131-I133 PolarHBondContact O-N 3.35Å; C131-M134 HydrophobicContact CB-CB 4.37Å; C131-M134 HydrophobicContact CB-CG 4.16Å; C131-M134 HydrophobicContact CB-SD 4.48Å; C131-M134 WeakPolarHBondContact O-CB 3.2Å; C131-M134 PolarHBondContact O-N 2.79Å; C131-T135 PolarHBondContact O-N 3.18Å; C131-E186 PolarHBondContact N-OE2 2.8Å; C131-E186 VanDerWaalsContact N-OE2 3.12Å
132K73.4Confident77Confident135 Ų13551.9 Ų51.959%0.58727%0.274SS*.Hα-helixtrans-52.8-35.2-176.4-66.8-170.9176-165.20113.2P130 M134 T135 E136P130-K132 PolarHBondContact O-N 3.48Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 2.99Å; K132-T135 WeakPolarHBondContact CA-OG1 3.16Å; K132-T135 PolarHBondContact O-N 3.45Å; K132-T135 PolarHBondContact O-OG1 2.75Å; K132-E136 VanDerWaalsContact O-CB 3.25Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.42Å
133I68.3Low76.5Confident23 Ų2351.8 Ų51.812%0.11828%0.275CS..Hα-helixtrans-64.9-37.5-178.9-54.2152.6000110.7V65 Q66 V70 C131 N137V65-I133 HydrophobicContact CG1-CD1 4.05Å; Q66-I133 HydrophobicContact CG-CD1 4.24Å; Q66-I133 VanDerWaalsContact NE2-CG1 3.31Å; V70-I133 HydrophobicContact CB-CG2 4.46Å; V70-I133 HydrophobicContact CG1-CG2 4.15Å; V70-I133 HydrophobicContact CG2-CB 4.44Å; V70-I133 HydrophobicContact CG2-CG2 3.44Å; V70-I133 VanDerWaalsContact CG2-CG2 3.44Å; C131-I133 PolarHBondContact O-N 3.35Å; I133-N137 WeakPolarHBondContact O-CB 3.16Å; I133-N137 PolarHBondContact O-N 2.98Å
134M64.6Low75.9Confident20 Ų2055.2 Ų55.210%0.09929%0.293CS..Hα-helixtrans-72.9-38.7176-65.8-167.4157.900112.2V69 C131 K132 L142 R194V69-M134 HydrophobicContact CG1-CE 3.25Å; C131-M134 HydrophobicContact CB-CB 4.37Å; C131-M134 HydrophobicContact CB-CG 4.16Å; C131-M134 HydrophobicContact CB-SD 4.48Å; C131-M134 WeakPolarHBondContact O-CB 3.2Å; C131-M134 PolarHBondContact O-N 2.79Å; K132-M134 VanDerWaalsContact C-N 3.29Å; K132-M134 PolarHBondContact O-N 2.99Å; M134-L142 HydrophobicContact CE-CG 4.39Å; M134-R194 PolarHBondContact SD-NH1 3.23Å; M134-R194 VanDerWaalsContact SD-NH1 3.4Å
135T63.8Low75.4Confident31 Ų3152.6 Ų52.619%0.1928%0.281CS..Hα-helixtrans-81.9-33.6-17557.20000113.9P130 C131 K132 G184P130-T135 HydrophobicContact CB-CG2 3.71Å; P130-T135 HydrophobicContact CG-CG2 4.03Å; C131-T135 PolarHBondContact O-N 3.18Å; K132-T135 WeakPolarHBondContact CA-OG1 3.16Å; K132-T135 PolarHBondContact O-N 3.45Å; K132-T135 PolarHBondContact O-OG1 2.75Å; T135-G184 VanDerWaalsContact CG2-O 3.25Å; T135-G184 WeakPolarHBondContact CG2-O 3.19Å
136E65.4Low74.6Confident137 Ų13746.8 Ų46.864%0.6426%0.259SS*.Hα-helixtrans-99.8-39.3-172.5-62.3175.2-177.200112.7K132K132-E136 VanDerWaalsContact O-CB 3.25Å; K132-E136 WeakPolarHBondContact O-CB 3.42Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.42Å
137N63.2Low73.3Confident117 Ų11751.4 Ų51.463%0.62627%0.27SS*.SBendtrans-90.1-1.2-176.6-61.6-20.2000113.4I133 A139I133-N137 WeakPolarHBondContact O-CB 3.16Å; I133-N137 PolarHBondContact O-N 2.98Å; N137-A139 VanDerWaalsContact C-N 3.26Å; N137-A139 PolarHBondContact O-N 2.94Å
138G62.8Low71.6Confident49 Ų4953.8 Ų53.851%0.50529%0.291SS..  trans70.620.8-178.800000113.9V140G138-V140 PolarHBondContact O-N 2.89Å
139A66.2Low70Confident4 Ų452.1 Ų52.13%0.03328%0.282CS..PPolyproline II helixtrans-63.4130.2174.700000109.8E73 N137 P141E73-A139 VanDerWaalsContact OE1-CA 3.3Å; E73-A139 WeakPolarHBondContact OE1-CA 3.39Å; E73-A139 WeakPolarHBondContact OE2-CA 3.47Å; N137-A139 VanDerWaalsContact C-N 3.26Å; N137-A139 PolarHBondContact O-N 2.94Å; A139-P141 VanDerWaalsContact O-CD 3.3Å; A139-P141 WeakPolarHBondContact O-CD 3.48Å
140V69.6Low68.2Low58 Ų5853.1 Ų53.135%0.35229%0.291SS..PPolyproline II helixtrans-60116177.3-177.30000108.4W72 E73 G138 L142 D144 R145W72-V140 HydrophobicContact CZ2-CB 4.3Å; E73-V140 WeakPolarHBondContact OE1-CA 3.36Å; E73-V140 WeakPolarHBondContact OE1-CB 3.03Å; E73-V140 PolarHBondContact OE1-N 2.87Å; G138-V140 PolarHBondContact O-N 2.89Å; V140-L142 PolarHBondContact O-N 3.36Å; V140-D144 HydrophobicContact CG1-CB 3.6Å; V140-R145 HydrophobicContact CG1-CG 4.38Å
141P76.1Confident66.2Low33 Ų3358 Ų5821%0.21431%0.314CS..PPolyproline II helixtrans-52144173.2-25.733.9000111A139 S143 D144 R145A139-P141 VanDerWaalsContact O-CD 3.3Å; A139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-S143 PolarHBondContact O-N 3.23Å; P141-S143 VanDerWaalsContact O-N 3.1Å; P141-D144 WeakPolarHBondContact CD-OD2 3.42Å; P141-D144 WeakPolarHBondContact O-CB 3.3Å; P141-D144 PolarHBondContact O-N 3.22Å; P141-R145 PolarHBondContact O-N 3.17Å
142L80.7Confident64.3Low3 Ų360.1 Ų60.12%0.01633%0.328CS..Hα-helixtrans-53.5-36.1177.4-72.5177.1000111.8V69 L106 M134 V140 D144 R145 V146 E193 R194 F197V69-L142 HydrophobicContact CG1-CD1 4.26Å; V69-L142 HydrophobicContact CG1-CD2 3.98Å; V69-L142 HydrophobicContact CG1-CG 3.94Å; V69-L142 HydrophobicContact CG2-CD1 4.46Å; L106-L142 HydrophobicContact CD1-CB 4Å; L106-L142 HydrophobicContact CD1-CD1 4.18Å; L106-L142 HydrophobicContact CD1-CD2 4.43Å; L106-L142 HydrophobicContact CD1-CG 4.44Å; L106-L142 HydrophobicContact CD2-CB 4Å; L106-L142 HydrophobicContact CD2-CD2 4.02Å; L106-L142 WeakPolarHBondContact CD2-O 3.17Å; M134-L142 HydrophobicContact CE-CG 4.39Å; V140-L142 PolarHBondContact O-N 3.36Å; L142-D144 VanDerWaalsContact C-N 3.26Å; L142-D144 PolarHBondContact O-N 3.31Å; L142-R145 WeakPolarHBondContact O-CB 3.45Å; L142-R145 PolarHBondContact O-N 3.35Å; L142-V146 PolarHBondContact O-N 3.29Å; L142-E193 HydrophobicContact CB-CG 4.37Å; L142-R194 HydrophobicContact CD1-CB 4.17Å; L142-R194 HydrophobicContact CD1-CG 4.46Å; L142-F197 HydrophobicContact CD1-CB 3.97Å; L142-F197 HydrophobicContact CD1-CD1 3.86Å; L142-F197 HydrophobicContact CD1-CG 4.05Å; L142-F197 HydrophobicContact CD2-CD1 4.1Å; L142-F197 HydrophobicContact CD2-CE1 4.12Å
143S77.2Confident62.7Low8 Ų858.4 Ų58.46%0.05632%0.322CS..Hα-helixtrans-57.7-33.9174.356.90000114.5P141 V146 R147 Q190 E193P141-S143 PolarHBondContact O-N 3.23Å; P141-S143 VanDerWaalsContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 3.08Å; S143-R147 PolarHBondContact O-N 3.21Å; S143-Q190 PolarHBondContact OG-NE2 3.4Å; S143-Q190 VanDerWaalsContact OG-NE2 3.09Å; S143-E193 PolarHBondContact N-OE2 3.29Å
144D75.2Confident61.3Low75 Ų7563.5 Ų63.540%0.40135%0.345SS..Hα-helixtrans-78.2-31.8-178.7-70.7-11.8000111.4V140 P141 L142 V146 R147 A148V140-D144 HydrophobicContact CG1-CB 3.6Å; P141-D144 WeakPolarHBondContact CD-OD2 3.42Å; P141-D144 WeakPolarHBondContact O-CB 3.3Å; P141-D144 PolarHBondContact O-N 3.22Å; L142-D144 VanDerWaalsContact C-N 3.26Å; L142-D144 PolarHBondContact O-N 3.31Å; D144-V146 PolarHBondContact O-N 3.03Å; D144-R147 WeakPolarHBondContact O-CB 3.22Å; D144-R147 PolarHBondContact O-N 3.07Å; D144-R147 VanDerWaalsContact O-N 3.13Å; D144-A148 PolarHBondContact O-N 2.6Å; D144-A148 VanDerWaalsContact O-N 3.12Å
145R76.6Confident60.2Low5 Ų567 Ų672%0.01936%0.361CS..Hα-helixtrans-56.9-40.6169.8-65.5173.462166.1-10.7111.6W72 Y99 N103 L106 V140 P141 L142W72-R145 HydrophobicContact CH2-CG 3.7Å; W72-R145 HydrophobicContact CZ2-CG 3.44Å; W72-R145 VanDerWaalsContact CZ2-CG 3.44Å; W72-R145 VanDerWaalsContact NE1-NH1 3.18Å; Y99-R145 VanDerWaalsContact CD2-NH2 3.27Å; Y99-R145 VanDerWaalsContact CE2-CZ 3.41Å; N103-R145 PolarHBondContact OD1-NE 2.88Å; N103-R145 PolarHBondContact OD1-NH2 3.17Å; L106-R145 HydrophobicContact CD2-CB 4.19Å; V140-R145 HydrophobicContact CG1-CG 4.38Å; P141-R145 PolarHBondContact O-N 3.17Å; L142-R145 WeakPolarHBondContact O-CB 3.45Å; L142-R145 PolarHBondContact O-N 3.35Å
146V72.2Confident59.3Low4 Ų470.9 Ų70.92%0.02438%0.38CS..Hα-helixtrans-68.6-38.6178.4-178.70000111.2L106 L107 N110 L142 S143 D144 A148 I149L106-V146 HydrophobicContact CB-CG2 4.12Å; L106-V146 HydrophobicContact CD2-CG2 3.67Å; L106-V146 HydrophobicContact CG-CG2 3.54Å; L107-V146 HydrophobicContact CB-CG1 4.15Å; L107-V146 HydrophobicContact CD1-CG1 3.34Å; L107-V146 HydrophobicContact CG-CG1 4.34Å; N110-V146 HydrophobicContact CB-CG1 4.31Å; N110-V146 HydrophobicContact CB-CG2 4.19Å; L142-V146 PolarHBondContact O-N 3.29Å; S143-V146 PolarHBondContact O-N 3.08Å; D144-V146 PolarHBondContact O-N 3.03Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.4Å; V146-I149 WeakPolarHBondContact O-CB 3.32Å; V146-I149 PolarHBondContact O-N 2.87Å; V146-I149 VanDerWaalsContact O-N 3.15Å
147R61.2Low58.4Low127 Ų12770.6 Ų70.648%0.47938%0.377SS..Hα-helixtrans-61.6-39178.9-154.8178.4-154.6-163.2-1.6112S143 D144 I149 I150 D175S143-R147 PolarHBondContact O-N 3.21Å; D144-R147 WeakPolarHBondContact O-CB 3.22Å; D144-R147 PolarHBondContact O-N 3.07Å; D144-R147 VanDerWaalsContact O-N 3.13Å; R147-I149 PolarHBondContact O-N 3.45Å; R147-I150 CarbonylContact O-C 3.56Å; R147-I150 PolarHBondContact O-N 3.22Å; R147-I150 VanDerWaalsContact O-N 3.08Å; R147-D175 IonicContact CZ-OD2 2.87Å; R147-D175 IonicContact NE-OD2 2.82Å; R147-D175 PolarHBondContact NE-OD2 3.34Å; R147-D175 IonicContact NH2-OD2 3.69Å; R147-D175 PolarHBondContact NH2-OD2 2.92Å; R147-D175 VanDerWaalsContact NH2-OD2 3.15Å
148A54.8Low57.6Low65 Ų6569.9 Ų69.954%0.53738%0.377SS..Hα-helixtrans-63.8-21.6177.400000114D144 V146D144-A148 PolarHBondContact O-N 2.6Å; D144-A148 VanDerWaalsContact O-N 3.12Å; V146-A148 VanDerWaalsContact C-N 3.3Å; V146-A148 PolarHBondContact O-N 3.4Å
149I51.5Low57.1Low79 Ų7971.9 Ų71.941%0.40538%0.376SS..Hα-helixtrans-76.3-29.3175.9-56.3162.9000110.8N103 V146 R147 L151N103-I149 HydrophobicContact CB-CD1 3.58Å; V146-I149 WeakPolarHBondContact O-CB 3.32Å; V146-I149 PolarHBondContact O-N 2.87Å; V146-I149 VanDerWaalsContact O-N 3.15Å; R147-I149 PolarHBondContact O-N 3.45Å; I149-L151 VanDerWaalsContact C-N 3.26Å; I149-L151 PolarHBondContact O-N 2.72Å
150I49.5Very low56.8Low91 Ų9184.2 Ų84.247%0.46742%0.421SS..SBendtrans-91.464.5177.3-47.5175.5000107.8R147R147-I150 CarbonylContact O-C 3.56Å; R147-I150 PolarHBondContact O-N 3.22Å; R147-I150 VanDerWaalsContact O-N 3.08Å
151L39.7Very low56.6Low137 Ų13787 Ų8772%0.71744%0.443SS*.  trans-64.8134.2165.8-76.4164.5000108.2I149 E153I149-L151 VanDerWaalsContact C-N 3.26Å; I149-L151 PolarHBondContact O-N 2.72Å; L151-E153 PolarHBondContact O-N 3.17Å; L151-E153 VanDerWaalsContact O-N 3.12Å
152P39.7Very low55.4Low62 Ų6288.3 Ų88.340%0.40346%0.464SS..  trans-55.2121.4168.1-1728.4000107.7E154 E168P152-E154 VanDerWaalsContact C-N 3.32Å; P152-E154 PolarHBondContact O-N 3.02Å; P152-E168 HydrophobicContact CB-CG 4.25Å
153E38.3Very low53.8Low99 Ų9991 Ų9146%0.46349%0.486SS..  trans-66.698.3171-78.6177.5123.300107.8L151 H155 R171L151-E153 PolarHBondContact O-N 3.17Å; L151-E153 VanDerWaalsContact O-N 3.12Å; E153-H155 VanDerWaalsContact C-N 3.34Å; E153-H155 VanDerWaalsContact CB-CE1 3.42Å; E153-H155 WeakPolarHBondContact CB-CE1 3.49Å; E153-H155 WeakPolarHBondContact CB-ND1 3.23Å; E153-H155 PolarHBondContact O-N 3.32Å; E153-H155 PolarHBondContact O-ND1 3.05Å; E153-H155 VanDerWaalsContact O-ND1 3.09Å; E153-H155 IonicContact OE2-CE1 3.78Å; E153-R171 IonicContact OE2-CZ 3.96Å; E153-R171 IonicContact OE2-NH1 2.87Å; E153-R171 PolarHBondContact OE2-NH1 3.32Å; E153-R171 IonicContact OE2-NH2 3.87Å
154E38.4Very low52.2Low129 Ų12995.5 Ų95.560%0.60351%0.509SS*.EExtended strand (participates in β ladder)trans-69.493.1170.8-72-168.515300109.1P152 L156 L166P152-E154 VanDerWaalsContact C-N 3.32Å; P152-E154 PolarHBondContact O-N 3.02Å; E154-L156 PolarHBondContact O-N 2.84Å; E154-L166 HydrophobicContact CB-CD2 4.22Å; E154-L166 HydrophobicContact CG-CD2 4.4Å
155H43.4Very low50.9Low95 Ų9594.2 Ų94.244%0.4451%0.506SS..EExtended strand (participates in β ladder)trans-81.6117.9171.2-72.570.1000108.7E153 K157E153-H155 VanDerWaalsContact C-N 3.34Å; E153-H155 VanDerWaalsContact CB-CE1 3.42Å; E153-H155 WeakPolarHBondContact CB-CE1 3.49Å; E153-H155 WeakPolarHBondContact CB-ND1 3.23Å; E153-H155 PolarHBondContact O-N 3.32Å; E153-H155 PolarHBondContact O-ND1 3.05Å; E153-H155 VanDerWaalsContact O-ND1 3.09Å; E153-H155 IonicContact OE2-CE1 3.78Å; H155-K157 PolarHBondContact O-N 3.38Å
156L44.4Very low49.1Very low112 Ų11299.3 Ų99.359%0.58653%0.533SS*.EExtended strand (participates in β ladder)trans-64.1104.6166.6-75.4162000108.6E154 N164E154-L156 PolarHBondContact O-N 2.84Å; L156-N164 HydrophobicContact CD2-CB 4Å
157K46.2Very low47.7Very low131 Ų131101.7 Ų101.757%0.5755%0.548SS*.EExtended strand (participates in β ladder)trans-88.6108.8164.7-91.7-175.9175.9175.40108.5H155 N159 S165 V167H155-K157 PolarHBondContact O-N 3.38Å; K157-N159 PolarHBondContact O-N 3.46Å; K157-S165 PolarHBondContact N-O 2.97Å; K157-S165 PolarHBondContact O-N 3.38Å; K157-V167 HydrophobicContact CB-CG2 4.08Å; K157-V167 HydrophobicContact CD-CG2 4.22Å
158T46.5Very low46.6Very low101 Ų101101.1 Ų101.162%0.6255%0.55SS**EExtended strand (participates in β ladder)trans-73.7110.516726.70000108.9N164T158-N164 WeakPolarHBondContact CG2-OD1 3.33Å
159N51.2Low45.7Very low91 Ų91101.1 Ų101.149%0.48754%0.544SS..  trans-72.5156.8170.6-76.7-20.3000109.9K157 S161 G162 A163K157-N159 PolarHBondContact O-N 3.46Å; N159-S161 PolarHBondContact O-N 3.21Å; N159-G162 PolarHBondContact O-N 3.48Å; N159-A163 PolarHBondContact N-O 3.18Å; N159-A163 VanDerWaalsContact N-O 3.11Å
160R60.8Low44.8Very low263 Ų263103.9 Ų103.999%0.99256%0.557SS**THydrogen-bonded Turntrans-54.1-15.2-179.1-81.9-176.4170.6-178.6-2.5114.8G162R160-G162 VanDerWaalsContact C-N 3.35Å
161S65.1Low44.3Very low116 Ų116107.8 Ų107.881%0.81157%0.566SS**THydrogen-bonded Turntrans-85.71.7175.7-47.30000114.3N159 A163N159-S161 PolarHBondContact O-N 3.21Å; S161-A163 PolarHBondContact O-N 2.84Å
162G50.8Low44Very low62 Ų62109.9 Ų109.964%0.63957%0.569SS**SBendtrans76.84.1-176.100000114.6N159 R160N159-G162 PolarHBondContact O-N 3.48Å; R160-G162 VanDerWaalsContact C-N 3.35Å
163A47Very low44.1Very low58 Ų58109.6 Ų109.648%0.47957%0.568SS.*PPolyproline II helixtrans-85.1125.5173.100000110.2N159 S161 S165N159-A163 PolarHBondContact N-O 3.18Å; N159-A163 VanDerWaalsContact N-O 3.11Å; S161-A163 PolarHBondContact O-N 2.84Å; A163-S165 PolarHBondContact O-N 3.08Å
164N44Very low44.3Very low103 Ų103109.9 Ų109.955%0.55157%0.573SS**EExtended strand (participates in β ladder)trans-77.5116.3172.5-67.8-3.7000108.6L156 T158L156-N164 HydrophobicContact CD2-CB 4Å; T158-N164 WeakPolarHBondContact CG2-OD1 3.33Å
165S47.1Very low44.7Very low49 Ų49105.3 Ų105.334%0.34355%0.552SS.*EExtended strand (participates in β ladder)trans-99.6123.7168-178.90000107.9K157 A163 V167K157-S165 PolarHBondContact N-O 2.97Å; K157-S165 PolarHBondContact O-N 3.38Å; A163-S165 PolarHBondContact O-N 3.08Å; S165-V167 PolarHBondContact O-N 3.1Å
166L39.6Very low44.8Very low112 Ų112108.7 Ų108.759%0.58657%0.569SS**EExtended strand (participates in β ladder)trans-63.6119.7162-77.7158.1000107E154E154-L166 HydrophobicContact CB-CD2 4.22Å; E154-L166 HydrophobicContact CG-CD2 4.4Å
167V43Very low45.1Very low54 Ų54110.1 Ų110.133%0.32757%0.572SS.*EExtended strand (participates in β ladder)trans-115.6105.3170.3178.70000105.8K157 S165 V169K157-V167 HydrophobicContact CB-CG2 4.08Å; K157-V167 HydrophobicContact CD-CG2 4.22Å; S165-V167 PolarHBondContact O-N 3.1Å; V167-V169 PolarHBondContact O-N 3.09Å
168E38.2Very low45.7Very low114 Ų114105.7 Ų105.753%0.53355%0.552SS.*EExtended strand (participates in β ladder)trans-64.8102.7172.8-164174.5-165.200107.5P152 M170P152-E168 HydrophobicContact CB-CG 4.25Å; E168-M170 HydrophobicContact CG-CG 4.4Å; E168-M170 PolarHBondContact O-N 3.4Å
169V36.3Very low46.4Very low65 Ų65105.1 Ų105.139%0.39455%0.55SS.*  trans-76.186.5170-178.50000105.9V167 R171V167-V169 PolarHBondContact O-N 3.09Å; V169-R171 PolarHBondContact O-N 3.32Å
170M32.4Very low47.3Very low138 Ų138107.4 Ų107.468%0.6856%0.561SS**  trans-61.190.6162.6-73.1-176.7-176.300107.3E168 K172E168-M170 HydrophobicContact CG-CG 4.4Å; E168-M170 PolarHBondContact O-N 3.4Å; M170-K172 PolarHBondContact O-N 2.95Å
171R37.4Very low48Very low173 Ų17397.1 Ų97.165%0.65353%0.525SS*.  trans-56106.3147.5-88.5-173170110.62.3103.4E153 V169 S173E153-R171 IonicContact OE2-CZ 3.96Å; E153-R171 IonicContact OE2-NH1 2.87Å; E153-R171 PolarHBondContact OE2-NH1 3.32Å; E153-R171 IonicContact OE2-NH2 3.87Å; V169-R171 PolarHBondContact O-N 3.32Å; R171-S173 PolarHBondContact O-N 3.12Å
172K34.9Very low48.3Very low181 Ų18195.1 Ų95.179%0.78751%0.51SS*.  trans-43.998.1171.6-86.6-177.4170.8-176.50107.2M170M170-K172 PolarHBondContact O-N 2.95Å
173S40.7Very low49.1Very low56 Ų56101.2 Ų101.239%0.39252%0.519SS..  trans-68.3136.1174.345.40000104.3R171 D175 E176R171-S173 PolarHBondContact O-N 3.12Å; S173-D175 PolarHBondContact O-N 2.96Å; S173-E176 PolarHBondContact O-N 3.42Å
174N43.3Very low50.5Low104 Ų104100 Ų10056%0.55651%0.513SS*.G310 helixtrans-617.1173.2-68.4-35.9000112.5Q177N174-Q177 PolarHBondContact O-N 3.01Å
175D46.9Very low52.3Low33 Ų3399.7 Ų99.718%0.17651%0.508CS..G310 helixtrans-70.4-28.3177-96.8-11000113.4R114 R147 S173 Q177 Y178R114-D175 IonicContact CZ-OD1 2.69Å; R114-D175 IonicContact NH1-OD1 2.76Å; R114-D175 PolarHBondContact NH1-OD1 3.5Å; R114-D175 IonicContact NH2-OD1 2.99Å; R114-D175 PolarHBondContact NH2-OD1 3.46Å; R147-D175 IonicContact CZ-OD2 2.87Å; R147-D175 IonicContact NE-OD2 2.82Å; R147-D175 PolarHBondContact NE-OD2 3.34Å; R147-D175 IonicContact NH2-OD2 3.69Å; R147-D175 PolarHBondContact NH2-OD2 2.92Å; R147-D175 VanDerWaalsContact NH2-OD2 3.15Å; S173-D175 PolarHBondContact O-N 2.96Å; D175-Q177 PolarHBondContact O-N 3.32Å; D175-Y178 PolarHBondContact O-N 3.45Å
176E45.4Very low54.2Low167 Ų16797.8 Ų97.878%0.7849%0.493SS*.G310 helixtrans-61.8-16.8175.2-75.7-171.8159.900112.7S173S173-E176 PolarHBondContact O-N 3.42Å
177Q50.9Low56.6Low141 Ų14192.5 Ų92.566%0.65947%0.466SS*.G310 helixtrans-88-10.3-175.2-159.315916.200114N174 D175N174-Q177 PolarHBondContact O-N 3.01Å; D175-Q177 PolarHBondContact O-N 3.32Å
178Y58.6Low58.9Low38 Ų3890.3 Ų90.315%0.14945%0.452CS..SBendtrans-128.1130.6-175.9-60.3-80.4000111.7R114 Q124 D175 I180R114-Y178 HydrophobicContact CB-CE2 4.42Å; R114-Y178 PolarHBondContact O-OH 3.34Å; Q124-Y178 HydrophobicContact CG-CD1 4.11Å; Q124-Y178 HydrophobicContact CG-CE1 4.33Å; D175-Y178 PolarHBondContact O-N 3.45Å; Y178-I180 PolarHBondContact O-N 3.36Å
179P61.1Low61.5Low89 Ų8986.1 Ų86.158%0.57843%0.431SS*.PPolyproline II helixtrans-63.8127.6-177.124.4-31.4000110.8L181P179-L181 PolarHBondContact O-N 2.76Å
180I69.1Low64.1Low140 Ų14084.2 Ų84.272%0.71842%0.418SS*.PPolyproline II helixtrans-70.4117.6170.9-57.1172.7000107Y178Y178-I180 PolarHBondContact O-N 3.36Å
181L75.5Confident67Low46 Ų4677.7 Ų77.724%0.24139%0.386CS..PPolyproline II helixtrans-73.3152.4178.5-70.5176000111.2A126 P179 Q185 A187A126-L181 HydrophobicContact CB-CD1 4.09Å; A126-L181 HydrophobicContact CB-CD2 4.32Å; P179-L181 PolarHBondContact O-N 2.76Å; L181-Q185 HydrophobicContact CB-CB 4.09Å; L181-Q185 HydrophobicContact CD1-CB 4.42Å; L181-A187 HydrophobicContact CD1-CB 3.65Å
182P72.5Confident69.7Low75 Ų7569.4 Ų69.449%0.48736%0.355SS..PPolyproline II helixtrans-59.5153.9175.3-20.131.6000112.3G184 Q185P182-G184 PolarHBondContact O-N 3.42Å; P182-Q185 WeakPolarHBondContact O-CB 3.33Å; P182-Q185 PolarHBondContact O-N 3.14Å
183F68.3Low72.6Confident190 Ų19060.9 Ų60.983%0.83332%0.318SS*.THydrogen-bonded Turntrans-53131.6174.7-174-94.2000111
184G74.7Confident75.1Confident33 Ų3358.3 Ų58.334%0.3430%0.299SS..THydrogen-bonded Turntrans87.6-0.3-176.300000115.1T135 P182T135-G184 VanDerWaalsContact CG2-O 3.25Å; T135-G184 WeakPolarHBondContact CG2-O 3.19Å; P182-G184 PolarHBondContact O-N 3.42Å
185Q81.7Confident77.6Confident96 Ų9653.4 Ų53.445%0.44927%0.273SS..  trans-105.9145.1170.3-65.2-174.931.200111A126 L181 P182A126-Q185 HydrophobicContact CB-CB 4.3Å; L181-Q185 HydrophobicContact CB-CB 4.09Å; L181-Q185 HydrophobicContact CD1-CB 4.42Å; P182-Q185 WeakPolarHBondContact O-CB 3.33Å; P182-Q185 PolarHBondContact O-N 3.14Å
186E87.1Confident79.9Confident8 Ų851.8 Ų51.84%0.03727%0.265CS..  trans-123.3136.5177.4178.3168.2-126.900108.7A126 T127 P130 C131 Q190 V191 R194A126-E186 CarbonylContact C-O 3.48Å; A126-E186 VanDerWaalsContact CA-O 3.25Å; A126-E186 WeakPolarHBondContact CA-O 3.12Å; T127-E186 HydrophobicContact CG2-CB 3.96Å; T127-E186 HydrophobicContact CG2-CG 4.26Å; T127-E186 WeakPolarHBondContact CG2-O 3.48Å; T127-E186 PolarHBondContact N-O 3.11Å; P130-E186 HydrophobicContact CB-CB 3.72Å; C131-E186 PolarHBondContact N-OE2 2.8Å; C131-E186 VanDerWaalsContact N-OE2 3.12Å; E186-Q190 HydrophobicContact CG-CB 3.67Å; E186-V191 HydrophobicContact CG-CG2 4.17Å; E186-R194 IonicContact OE1-CZ 2.73Å; E186-R194 IonicContact OE1-NH1 3.47Å; E186-R194 PolarHBondContact OE1-NH1 3.37Å; E186-R194 IonicContact OE1-NH2 3.14Å; E186-R194 PolarHBondContact OE1-NH2 2.83Å; E186-R194 IonicContact OE2-CZ 3.62Å; E186-R194 IonicContact OE2-NH1 2.95Å; E186-R194 IonicContact OE2-NH2 2.76Å; E186-R194 PolarHBondContact OE2-NH2 2.65Å
187A90.3Very high82.2Confident1 Ų143.9 Ų43.91%0.00823%0.227CC..BIsolated β-bridgetrans-80150.7174.500000111.1R125 L181 W189 Q190 V191R125-A187 WeakPolarHBondContact O-CA 3.17Å; L181-A187 HydrophobicContact CD1-CB 3.65Å; A187-W189 HydrophobicContact CB-CD2 4.38Å; A187-W189 HydrophobicContact CB-CG 4.05Å; A187-W189 PolarHBondContact O-N 3.19Å; A187-W189 VanDerWaalsContact O-N 3.14Å; A187-Q190 HydrophobicContact CB-CG 4.37Å; A187-Q190 WeakPolarHBondContact O-CB 3.35Å; A187-Q190 PolarHBondContact O-N 3.39Å; A187-V191 PolarHBondContact O-N 3.3Å
188H92.7Very high84.2Confident9 Ų937.1 Ų37.14%0.04220%0.196CC..Hα-helixtrans-55.8-32.2174.6-79.8-74.1000113.2F122 F123 R125 Q190 V191 V192 Y220F122-H188 HydrophobicContact CD1-CB 4.27Å; F122-H188 HydrophobicContact CE1-CB 3.95Å; F122-H188 AromaticContact CE1-CG 3.63Å; F122-H188 AromaticContact CE1-ND1 3.61Å; F122-H188 AromaticContact CE2-NE2 3.93Å; F122-H188 AromaticContact CZ-CD2 3.98Å; F122-H188 AromaticContact CZ-CE1 3.44Å; F122-H188 VanDerWaalsContact CZ-CE1 3.44Å; F122-H188 WeakPolarHBondContact CZ-CE1 3.17Å; F122-H188 AromaticContact CZ-CG 3.82Å; F122-H188 AromaticContact CZ-ND1 3.47Å; F122-H188 WeakPolarHBondContact CZ-ND1 3.09Å; F122-H188 AromaticContact CZ-NE2 3.73Å; F122-H188 PolarHBondContact O-CD2 3.41Å; F123-H188 HydrophobicContact CD1-CB 4.48Å; F123-H188 PolarHBondContact O-N 3.43Å; R125-H188 PolarHBondContact O-CD2 3.03Å; R125-H188 PolarHBondContact O-N 3.16Å; H188-Q190 VanDerWaalsContact C-N 3.34Å; H188-Q190 PolarHBondContact O-N 2.9Å; H188-V191 WeakPolarHBondContact O-CB 3.48Å; H188-V191 PolarHBondContact O-N 3.33Å; H188-V192 PolarHBondContact O-N 3.24Å; H188-Y220 HydrophobicContact CB-CE1 3.87Å; H188-Y220 AromaticContact CG-CE1 4Å; H188-Y220 AromaticContact ND1-CE1 3.39Å; H188-Y220 WeakPolarHBondContact ND1-CE1 3.43Å; H188-Y220 AromaticContact ND1-CZ 3.48Å; H188-Y220 PolarHBondContact ND1-OH 2.91Å
189W91.4Very high85.9Confident25 Ų2535.4 Ų35.410%0.09519%0.189CC..Hα-helixtrans-67.4-30.2174.968.5-101.5000113.4V113 R114 F123 A187 V191 V192 E193V113-W189 HydrophobicContact CG2-CE3 3.89Å; R114-W189 HydrophobicContact CG-CD2 4.36Å; R114-W189 HydrophobicContact CG-CE3 4.24Å; R114-W189 HydrophobicContact CG-CZ3 4.4Å; F123-W189 HydrophobicContact CB-CB 4.38Å; F123-W189 PolarHBondContact O-N 3.46Å; A187-W189 HydrophobicContact CB-CD2 4.38Å; A187-W189 HydrophobicContact CB-CG 4.05Å; A187-W189 PolarHBondContact O-N 3.19Å; A187-W189 VanDerWaalsContact O-N 3.14Å; W189-V191 VanDerWaalsContact C-N 3.34Å; W189-V192 PolarHBondContact O-N 3.28Å; W189-E193 PolarHBondContact O-N 2.98Å
190Q91Very high87.4Confident25 Ų2531.5 Ų31.512%0.11716%0.164CC..Hα-helixtrans-70.1-34.5175.4-69.2173.8-71.500111S143 E186 A187 H188 E193 R194S143-Q190 PolarHBondContact OG-NE2 3.4Å; S143-Q190 VanDerWaalsContact OG-NE2 3.09Å; E186-Q190 HydrophobicContact CG-CB 3.67Å; A187-Q190 HydrophobicContact CB-CG 4.37Å; A187-Q190 WeakPolarHBondContact O-CB 3.35Å; A187-Q190 PolarHBondContact O-N 3.39Å; H188-Q190 VanDerWaalsContact C-N 3.34Å; H188-Q190 PolarHBondContact O-N 2.9Å; Q190-E193 WeakPolarHBondContact O-CB 3.25Å; Q190-E193 PolarHBondContact O-N 3.14Å; Q190-R194 PolarHBondContact O-N 3.3Å
191V93.8Very high88.4Confident1 Ų127 Ų271%0.00614%0.139CC..Hα-helixtrans-62.5-45.5171.7-177.50000110.6T127 E186 A187 H188 W189 E193 R194 I195 Y220 E236T127-V191 HydrophobicContact CG2-CG2 4.02Å; E186-V191 HydrophobicContact CG-CG2 4.17Å; A187-V191 PolarHBondContact O-N 3.3Å; H188-V191 WeakPolarHBondContact O-CB 3.48Å; H188-V191 PolarHBondContact O-N 3.33Å; W189-V191 VanDerWaalsContact C-N 3.34Å; V191-E193 VanDerWaalsContact C-N 3.33Å; V191-E193 PolarHBondContact O-N 2.88Å; V191-R194 PolarHBondContact O-N 3.17Å; V191-I195 HydrophobicContact CG1-CD1 4.27Å; V191-I195 WeakPolarHBondContact O-CG1 3.26Å; V191-I195 PolarHBondContact O-N 3.07Å; V191-Y220 HydrophobicContact CB-CE1 4.27Å; V191-Y220 HydrophobicContact CB-CE2 4.28Å; V191-Y220 WeakPolarHBondContact CB-OH 3.45Å; V191-Y220 HydrophobicContact CG1-CD2 4.35Å; V191-Y220 HydrophobicContact CG1-CE1 4.39Å; V191-Y220 HydrophobicContact CG1-CE2 3.56Å; V191-Y220 WeakPolarHBondContact CG1-OH 3.39Å; V191-Y220 WeakPolarHBondContact CG2-OH 3.42Å; V191-E236 HydrophobicContact CG1-CB 3.78Å; V191-E236 HydrophobicContact CG1-CG 3.55Å
192V94.6Very high89.2Confident0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-63.9-39176.3178.10000111.7V113 L116 F123 H188 W189 R194 I195 L196 V216 Y220V113-V192 HydrophobicContact CG1-CB 4.42Å; V113-V192 HydrophobicContact CG1-CG1 3.85Å; L116-V192 HydrophobicContact CD2-CG1 4.18Å; F123-V192 HydrophobicContact CD1-CG2 4.35Å; F123-V192 HydrophobicContact CE1-CG2 4.19Å; H188-V192 PolarHBondContact O-N 3.24Å; W189-V192 PolarHBondContact O-N 3.28Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.3Å; V192-I195 PolarHBondContact O-N 2.88Å; V192-L196 HydrophobicContact CG1-CD1 3.96Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.79Å; V192-V216 HydrophobicContact CG1-CG1 3.56Å; V192-Y220 HydrophobicContact CG2-CD1 3.55Å; V192-Y220 HydrophobicContact CG2-CE1 4.09Å; V192-Y220 HydrophobicContact CG2-CG 4.07Å
193E94.3Very high90Very high2 Ų226 Ų261%0.00913%0.13CC..Hα-helixtrans-55.5-48.1173.1-178.9173.3-121.500111.4L106 I109 N110 V113 L142 S143 W189 Q190 V191 L196 F197L106-E193 HydrophobicContact CD1-CG 3.86Å; I109-E193 HydrophobicContact CG2-CB 4.31Å; I109-E193 HydrophobicContact CG2-CG 3.94Å; N110-E193 VanDerWaalsContact CB-OE1 3.24Å; N110-E193 WeakPolarHBondContact CB-OE1 3.11Å; N110-E193 PolarHBondContact ND2-OE1 3.11Å; V113-E193 HydrophobicContact CG2-CB 4.17Å; L142-E193 HydrophobicContact CB-CG 4.37Å; S143-E193 PolarHBondContact N-OE2 3.29Å; W189-E193 PolarHBondContact O-N 2.98Å; Q190-E193 WeakPolarHBondContact O-CB 3.25Å; Q190-E193 PolarHBondContact O-N 3.14Å; V191-E193 VanDerWaalsContact C-N 3.33Å; V191-E193 PolarHBondContact O-N 2.88Å; E193-L196 PolarHBondContact O-N 3.08Å; E193-F197 VanDerWaalsContact O-CB 3.31Å; E193-F197 WeakPolarHBondContact O-CB 3.45Å; E193-F197 PolarHBondContact O-N 2.85Å
194R93.7Very high90.8Very high2 Ų221.5 Ų21.51%0.00812%0.12CC..Hα-helixtrans-63.6-43.9179.7-178.4162.657-105.3-7.4112.5V69 M134 L142 E186 Q190 V191 V192 L196 F197 I198 E236V69-R194 HydrophobicContact CG2-CG 4.15Å; M134-R194 PolarHBondContact SD-NH1 3.23Å; M134-R194 VanDerWaalsContact SD-NH1 3.4Å; L142-R194 HydrophobicContact CD1-CB 4.17Å; L142-R194 HydrophobicContact CD1-CG 4.46Å; E186-R194 IonicContact OE1-CZ 2.73Å; E186-R194 IonicContact OE1-NH1 3.47Å; E186-R194 PolarHBondContact OE1-NH1 3.37Å; E186-R194 IonicContact OE1-NH2 3.14Å; E186-R194 PolarHBondContact OE1-NH2 2.83Å; E186-R194 IonicContact OE2-CZ 3.62Å; E186-R194 IonicContact OE2-NH1 2.95Å; E186-R194 IonicContact OE2-NH2 2.76Å; E186-R194 PolarHBondContact OE2-NH2 2.65Å; Q190-R194 PolarHBondContact O-N 3.3Å; V191-R194 PolarHBondContact O-N 3.17Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.3Å; R194-L196 PolarHBondContact O-N 3.17Å; R194-F197 PolarHBondContact O-N 3.33Å; R194-I198 HydrophobicContact CG-CD1 3.81Å; R194-I198 HydrophobicContact CG-CG1 4.46Å; R194-I198 WeakPolarHBondContact O-CG1 3.43Å; R194-I198 PolarHBondContact O-N 3.2Å; R194-E236 IonicContact CZ-OE1 2.64Å; R194-E236 VanDerWaalsContact CZ-OE1 3.31Å; R194-E236 IonicContact CZ-OE2 3.68Å; R194-E236 IonicContact NE-OE1 3.51Å; R194-E236 PolarHBondContact NE-OE1 3.35Å; R194-E236 IonicContact NE-OE2 3.23Å; R194-E236 VanDerWaalsContact NH2-CD 3.31Å; R194-E236 IonicContact NH2-OE1 2.65Å; R194-E236 PolarHBondContact NH2-OE1 3.22Å; R194-E236 IonicContact NH2-OE2 3.31Å; R194-E236 PolarHBondContact NH2-OE2 3.35Å
195I95.6Very high91.1Very high0 Ų023.6 Ų23.60%014%0.141CC..Hα-helixtrans-57-49.5176-66.3165.9000110.8V191 V192 Y199 V216 Y220 E236 Y240 F243V191-I195 HydrophobicContact CG1-CD1 4.27Å; V191-I195 WeakPolarHBondContact O-CG1 3.26Å; V191-I195 PolarHBondContact O-N 3.07Å; V192-I195 PolarHBondContact O-N 2.88Å; I195-Y199 WeakPolarHBondContact O-CB 3.42Å; I195-Y199 PolarHBondContact O-N 3.29Å; I195-V216 HydrophobicContact CD1-CG2 4.43Å; I195-V216 HydrophobicContact CG2-CG2 3.85Å; I195-Y220 HydrophobicContact CD1-CD2 4.32Å; I195-E236 HydrophobicContact CD1-CG 4Å; I195-E236 HydrophobicContact CG1-CG 3.83Å; I195-Y240 HydrophobicContact CG2-CD2 4.13Å; I195-F243 HydrophobicContact CG2-CD1 4.45Å
196L94.9Very high91.1Very high0 Ų020.1 Ų20.10%013%0.127CC..Hα-helixtrans-67.1-37.3-179.4-70168.7000112.2I109 V113 V192 E193 R194 Y199 S200 Y208 M212 N213 V216 F243I109-L196 HydrophobicContact CD1-CB 4.06Å; I109-L196 HydrophobicContact CG1-CB 4.35Å; I109-L196 HydrophobicContact CG2-CB 3.9Å; I109-L196 HydrophobicContact CG2-CD1 3.92Å; V113-L196 HydrophobicContact CG1-CD1 3.63Å; V192-L196 HydrophobicContact CG1-CD1 3.96Å; V192-L196 HydrophobicContact CG1-CG 4.45Å; V192-L196 WeakPolarHBondContact O-CG 3.39Å; V192-L196 PolarHBondContact O-N 2.79Å; E193-L196 PolarHBondContact O-N 3.08Å; R194-L196 PolarHBondContact O-N 3.17Å; L196-Y199 PolarHBondContact O-N 3.15Å; L196-S200 WeakPolarHBondContact O-CB 3.38Å; L196-S200 PolarHBondContact O-N 2.91Å; L196-Y208 HydrophobicContact CB-CD2 4.43Å; L196-Y208 HydrophobicContact CD1-CE2 3.98Å; L196-Y208 HydrophobicContact CD2-CD2 4.24Å; L196-Y208 HydrophobicContact CD2-CE2 4.16Å; L196-M212 HydrophobicContact CD2-CB 4.1Å; L196-N213 HydrophobicContact CD1-CB 3.82Å; L196-V216 HydrophobicContact CD1-CG1 4.18Å; L196-V216 HydrophobicContact CD2-CG1 3.87Å; L196-V216 HydrophobicContact CG-CG1 4.03Å; L196-F243 HydrophobicContact CD2-CE1 4Å; L196-F243 HydrophobicContact CD2-CZ 3.76Å
197F93.4Very high91.1Very high0 Ų024.1 Ų24.10%014%0.144CC..Hα-helixtrans-64.4-49.9177.8-177-109.9000111.1V69 D102 L106 I109 L142 E193 R194 Y199 S200 K201V69-F197 HydrophobicContact CG2-CD1 4.43Å; D102-F197 HydrophobicContact CB-CE2 3.98Å; D102-F197 HydrophobicContact CB-CZ 4.03Å; L106-F197 HydrophobicContact CB-CD2 4.31Å; L106-F197 HydrophobicContact CB-CE2 4.37Å; L106-F197 HydrophobicContact CD1-CB 4.15Å; L106-F197 HydrophobicContact CD1-CD2 3.7Å; L106-F197 HydrophobicContact CD1-CE2 4.35Å; L106-F197 HydrophobicContact CD1-CG 4.02Å; I109-F197 HydrophobicContact CD1-CB 4.31Å; L142-F197 HydrophobicContact CD1-CB 3.97Å; L142-F197 HydrophobicContact CD1-CD1 3.86Å; L142-F197 HydrophobicContact CD1-CG 4.05Å; L142-F197 HydrophobicContact CD2-CD1 4.1Å; L142-F197 HydrophobicContact CD2-CE1 4.12Å; E193-F197 VanDerWaalsContact O-CB 3.31Å; E193-F197 WeakPolarHBondContact O-CB 3.45Å; E193-F197 PolarHBondContact O-N 2.85Å; R194-F197 PolarHBondContact O-N 3.33Å; F197-Y199 VanDerWaalsContact C-N 3.31Å; F197-Y199 PolarHBondContact O-N 3.39Å; F197-S200 WeakPolarHBondContact O-CB 3.43Å; F197-S200 PolarHBondContact O-N 3.29Å; F197-S200 PolarHBondContact O-OG 3.12Å; F197-K201 HydrophobicContact CD1-CG 4.46Å; F197-K201 HydrophobicContact CE1-CD 4.5Å; F197-K201 HydrophobicContact CE1-CG 4.09Å; F197-K201 HydrophobicContact CE2-CD 4.38Å; F197-K201 HydrophobicContact CE2-CG 4.41Å; F197-K201 HydrophobicContact CZ-CD 4.03Å; F197-K201 HydrophobicContact CZ-CG 4.06Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 2.92Å
198I93.8Very high90.9Very high0 Ų024.7 Ų24.70%015%0.146CC..Hα-helixtrans-59.1-43.8176.9-68.5168.5000110.8Y61 L64 V65 F68 V69 R194 S200 K201 L202 Y240Y61-I198 HydrophobicContact CE2-CD1 3.9Å; L64-I198 HydrophobicContact CB-CG2 4.08Å; L64-I198 HydrophobicContact CD1-CG2 4.19Å; V65-I198 HydrophobicContact CB-CD1 4.42Å; V65-I198 HydrophobicContact CG2-CD1 3.58Å; F68-I198 HydrophobicContact CD2-CG2 4.33Å; V69-I198 HydrophobicContact CG2-CD1 4.33Å; V69-I198 HydrophobicContact CG2-CG1 4.25Å; R194-I198 HydrophobicContact CG-CD1 3.81Å; R194-I198 HydrophobicContact CG-CG1 4.46Å; R194-I198 WeakPolarHBondContact O-CG1 3.43Å; R194-I198 PolarHBondContact O-N 3.2Å; I198-S200 VanDerWaalsContact C-N 3.31Å; I198-S200 PolarHBondContact O-N 3.07Å; I198-K201 PolarHBondContact O-N 3.27Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 PolarHBondContact O-N 3.09Å; I198-L202 VanDerWaalsContact O-N 3.08Å; I198-Y240 HydrophobicContact CB-CE2 4.4Å; I198-Y240 HydrophobicContact CG2-CD2 4.33Å; I198-Y240 HydrophobicContact CG2-CE2 3.78Å
199Y94.4Very high90.5Very high1 Ų125.6 Ų25.60%0.00415%0.152CC..Hα-helixtrans-56.4-45.7174.1177.3-83.3000111.8I195 L196 F197 K201 L202 N203 M212 F243 M247I195-Y199 WeakPolarHBondContact O-CB 3.42Å; I195-Y199 PolarHBondContact O-N 3.29Å; L196-Y199 PolarHBondContact O-N 3.15Å; F197-Y199 VanDerWaalsContact C-N 3.31Å; F197-Y199 PolarHBondContact O-N 3.39Å; Y199-K201 VanDerWaalsContact C-N 3.29Å; Y199-K201 PolarHBondContact O-N 3.41Å; Y199-L202 PolarHBondContact O-N 3.44Å; Y199-N203 WeakPolarHBondContact CD2-ND2 3.3Å; Y199-N203 HydrophobicContact CE1-CB 4.06Å; Y199-N203 VanDerWaalsContact CE2-ND2 3.34Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.41Å; Y199-N203 WeakPolarHBondContact O-CB 3.45Å; Y199-N203 PolarHBondContact O-N 2.92Å; Y199-N203 PolarHBondContact O-ND2 2.92Å; Y199-M212 HydrophobicContact CD1-CE 3.52Å; Y199-M212 HydrophobicContact CE1-CE 3.17Å; Y199-M212 HydrophobicContact CE1-SD 4.46Å; Y199-M212 HydrophobicContact CG-CE 4.38Å; Y199-F243 HydrophobicContact CD1-CE1 4.17Å; Y199-F243 AromaticContact CD2-CD1 3.9Å; Y199-F243 HydrophobicContact CD2-CD1 3.9Å; Y199-F243 AromaticContact CD2-CE1 3.6Å; Y199-F243 HydrophobicContact CD2-CE1 3.6Å; Y199-F243 HydrophobicContact CE2-CE1 4.16Å; Y199-F243 HydrophobicContact CG-CD1 4.25Å; Y199-F243 AromaticContact CG-CE1 3.61Å; Y199-F243 HydrophobicContact CG-CE1 3.61Å; Y199-M247 HydrophobicContact CD2-CG 4.48Å; Y199-M247 HydrophobicContact CE2-CB 3.55Å; Y199-M247 HydrophobicContact CE2-CG 3.74Å; Y199-M247 WeakPolarHBondContact OH-CB 3.4Å
200S92.5Very high89.8Confident7 Ų730 Ų305%0.04917%0.173CC..Hα-helixtrans-64.6-33.1-178.478.50000113L196 F197 I198L196-S200 WeakPolarHBondContact O-CB 3.38Å; L196-S200 PolarHBondContact O-N 2.91Å; F197-S200 WeakPolarHBondContact O-CB 3.43Å; F197-S200 PolarHBondContact O-N 3.29Å; F197-S200 PolarHBondContact O-OG 3.12Å; I198-S200 VanDerWaalsContact C-N 3.31Å; I198-S200 PolarHBondContact O-N 3.07Å
201K90.5Very high89.1Confident45 Ų4529 Ų2920%0.19617%0.17CC..Hα-helixtrans-70.4-42.7176.7-69.9-65.3-59.3-174.20111.9F68 D102 F197 I198 Y199 N203F68-K201 HydrophobicContact CB-CG 4.38Å; F68-K201 HydrophobicContact CD1-CB 4.18Å; F68-K201 HydrophobicContact CD1-CG 4.39Å; F68-K201 HydrophobicContact CD2-CB 4.04Å; F68-K201 HydrophobicContact CE1-CB 4.35Å; F68-K201 HydrophobicContact CE2-CB 4.17Å; F68-K201 HydrophobicContact CG-CB 4.04Å; F68-K201 HydrophobicContact CG-CG 4.22Å; F68-K201 HydrophobicContact CZ-CB 4.34Å; D102-K201 WeakPolarHBondContact OD1-CD 3.48Å; D102-K201 IonicContact OD1-NZ 3.15Å; D102-K201 PolarHBondContact OD1-NZ 2.91Å; D102-K201 IonicContact OD2-NZ 3.37Å; D102-K201 PolarHBondContact OD2-NZ 3.39Å; F197-K201 HydrophobicContact CD1-CG 4.46Å; F197-K201 HydrophobicContact CE1-CD 4.5Å; F197-K201 HydrophobicContact CE1-CG 4.09Å; F197-K201 HydrophobicContact CE2-CD 4.38Å; F197-K201 HydrophobicContact CE2-CG 4.41Å; F197-K201 HydrophobicContact CZ-CD 4.03Å; F197-K201 HydrophobicContact CZ-CG 4.06Å; F197-K201 WeakPolarHBondContact O-CG 3.37Å; F197-K201 PolarHBondContact O-N 2.92Å; I198-K201 PolarHBondContact O-N 3.27Å; Y199-K201 VanDerWaalsContact C-N 3.29Å; Y199-K201 PolarHBondContact O-N 3.41Å; K201-N203 VanDerWaalsContact C-N 3.35Å
202L91.7Very high88.7Confident70 Ų7029 Ų2937%0.36617%0.17SC..Hα-helixtrans-74.6-24.6179.9-76170.1000113.7L64 F68 I198 Y199 P204 Y240L64-L202 HydrophobicContact CD1-CD1 3.67Å; L64-L202 HydrophobicContact CD2-CD1 3.91Å; L64-L202 HydrophobicContact CD2-CD2 4.09Å; L64-L202 HydrophobicContact CD2-CG 4.43Å; L64-L202 HydrophobicContact CG-CD1 4.4Å; F68-L202 HydrophobicContact CE2-CD1 4.39Å; F68-L202 HydrophobicContact CE2-CD2 3.8Å; F68-L202 HydrophobicContact CE2-CG 3.75Å; F68-L202 HydrophobicContact CZ-CD2 4.01Å; F68-L202 HydrophobicContact CZ-CG 4.35Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 PolarHBondContact O-N 3.09Å; I198-L202 VanDerWaalsContact O-N 3.08Å; Y199-L202 PolarHBondContact O-N 3.44Å; L202-P204 WeakPolarHBondContact O-CD 3.4Å; L202-Y240 WeakPolarHBondContact CD1-OH 3.26Å
203N89.3Confident88.4Confident32 Ų3229.3 Ų29.317%0.17117%0.172CC..  trans-116.467.7-177.2-58.9-84.9000111.1Y199 K201 G205 V206 K207 Q244Y199-N203 WeakPolarHBondContact CD2-ND2 3.3Å; Y199-N203 HydrophobicContact CE1-CB 4.06Å; Y199-N203 VanDerWaalsContact CE2-ND2 3.34Å; Y199-N203 WeakPolarHBondContact CE2-ND2 3.41Å; Y199-N203 WeakPolarHBondContact O-CB 3.45Å; Y199-N203 PolarHBondContact O-N 2.92Å; Y199-N203 PolarHBondContact O-ND2 2.92Å; K201-N203 VanDerWaalsContact C-N 3.35Å; N203-G205 PolarHBondContact O-N 3.36Å; N203-G205 VanDerWaalsContact O-N 3.09Å; N203-V206 PolarHBondContact O-N 3.09Å; N203-V206 VanDerWaalsContact O-N 3.1Å; N203-K207 PolarHBondContact O-N 3.47Å; N203-Q244 PolarHBondContact ND2-OE1 3.35Å; N203-Q244 VanDerWaalsContact ND2-OE1 3.07Å; N203-Q244 PolarHBondContact OD1-NE2 3.34Å
204P85.2Confident87.8Confident95 Ų9531.2 Ų31.262%0.61718%0.181SC*.THydrogen-bonded Turntrans-64.5-18.7-172.826.6-35.9000114.3L202 K207L202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-K207 WeakPolarHBondContact O-CE 3.34Å; P204-K207 WeakPolarHBondContact O-CG 3.38Å
205G80.9Confident87.3Confident77 Ų7731.5 Ų31.579%0.79418%0.182SC*.THydrogen-bonded Turntrans-73.2-25.9176.400000114.3N203N203-G205 PolarHBondContact O-N 3.36Å; N203-G205 VanDerWaalsContact O-N 3.09Å
206V81.7Confident87.1Confident23 Ų2331.5 Ų31.514%0.13918%0.182CC..THydrogen-bonded Turntrans-114.1-41.8-179.9-177.40000111.2N203 V209 I251 F254 I255N203-V206 PolarHBondContact O-N 3.09Å; N203-V206 VanDerWaalsContact O-N 3.1Å; V206-V209 HydrophobicContact CG1-CG2 4.13Å; V206-I251 HydrophobicContact CG2-CD1 3.59Å; V206-I251 HydrophobicContact CG2-CG1 3.59Å; V206-F254 HydrophobicContact CG1-CB 4.27Å; V206-I255 HydrophobicContact CG2-CD1 3.96Å; V206-I255 HydrophobicContact CG2-CG1 3.81Å
207K86.6Confident86.8Confident91 Ų9131.6 Ų31.640%0.39618%0.183SC..  trans55-152-171.7-54.2-179.1179.2-179.40110.5V105 N203 P204V105-K207 HydrophobicContact CG2-CD 4.42Å; N203-K207 PolarHBondContact O-N 3.47Å; P204-K207 WeakPolarHBondContact O-CE 3.34Å; P204-K207 WeakPolarHBondContact O-CG 3.38Å
208Y88Confident86.5Confident13 Ų1331.6 Ų31.65%0.05118%0.183CC..  trans-84.4135.2173.1176.9-106.5000111.2Q108 I109 D112 L196 M212 N213Q108-Y208 HydrophobicContact CB-CD1 4.18Å; Q108-Y208 HydrophobicContact CB-CE1 4.27Å; Q108-Y208 HydrophobicContact CG-CD1 4.04Å; Q108-Y208 HydrophobicContact CG-CE1 3.84Å; I109-Y208 HydrophobicContact CD1-CD2 4.3Å; I109-Y208 HydrophobicContact CD1-CG 4.05Å; I109-Y208 HydrophobicContact CG1-CD1 3.58Å; I109-Y208 HydrophobicContact CG1-CD2 3.67Å; I109-Y208 HydrophobicContact CG1-CE1 4.01Å; I109-Y208 HydrophobicContact CG1-CE2 4.08Å; I109-Y208 HydrophobicContact CG1-CG 3.4Å; D112-Y208 WeakPolarHBondContact CB-OH 2.97Å; D112-Y208 VanDerWaalsContact CG-OH 3.27Å; D112-Y208 VanDerWaalsContact OD2-CE1 3.31Å; D112-Y208 WeakPolarHBondContact OD2-CE1 3.44Å; D112-Y208 PolarHBondContact OD2-OH 3.18Å; L196-Y208 HydrophobicContact CB-CD2 4.43Å; L196-Y208 HydrophobicContact CD1-CE2 3.98Å; L196-Y208 HydrophobicContact CD2-CD2 4.24Å; L196-Y208 HydrophobicContact CD2-CE2 4.16Å; Y208-M212 HydrophobicContact CD2-CB 4.13Å; Y208-M212 HydrophobicContact CD2-SD 4.34Å; Y208-M212 HydrophobicContact CE2-CB 3.86Å; Y208-N213 PolarHBondContact OH-OD1 3.34Å
209V82.3Confident86.4Confident29 Ų2931.6 Ų31.618%0.17618%0.183CC..  trans-125137.1170.8-173.80000108.3V206 G211 M212 F254 F300V206-V209 HydrophobicContact CG1-CG2 4.13Å; V209-G211 PolarHBondContact O-N 3.18Å; V209-M212 HydrophobicContact CB-CG 4.43Å; V209-M212 HydrophobicContact CB-SD 4.07Å; V209-M212 HydrophobicContact CG2-SD 4.47Å; V209-M212 PolarHBondContact N-SD 3.5Å; V209-M212 VanDerWaalsContact O-CB 3.28Å; V209-M212 WeakPolarHBondContact O-CB 2.91Å; V209-M212 WeakPolarHBondContact O-CG 3.45Å; V209-M212 PolarHBondContact O-N 2.95Å; V209-M212 VanDerWaalsContact O-N 3.1Å; V209-F254 HydrophobicContact CB-CD1 3.8Å; V209-F254 HydrophobicContact CG1-CD1 3.85Å; V209-F254 HydrophobicContact CG2-CB 4.29Å; V209-F254 HydrophobicContact CG2-CD1 4.43Å; V209-F300 HydrophobicContact CG1-CE1 4.09Å; V209-F300 HydrophobicContact CG1-CZ 3.64Å
210Q78.5Confident86.4Confident116 Ų11631.9 Ų31.954%0.54218%0.184SC..THydrogen-bonded Turntrans-53.1137.2179.5-177.7173.61.800110.6D112 F300D112-Q210 WeakPolarHBondContact OD2-CG 3.43Å; Q210-F300 WeakPolarHBondContact O-CE1 3.31Å
211G76.2Confident86.3Confident5 Ų533.5 Ų33.55%0.05219%0.19CC..THydrogen-bonded Turntrans98.5-20.4-174.600000113.4V209 N213 E214 I215V209-G211 PolarHBondContact O-N 3.18Å; G211-N213 WeakPolarHBondContact CA-OD1 3.47Å; G211-N213 PolarHBondContact N-OD1 3.05Å; G211-N213 VanDerWaalsContact N-OD1 3.12Å; G211-N213 PolarHBondContact O-N 3.05Å; G211-E214 WeakPolarHBondContact O-CB 3.4Å; G211-E214 PolarHBondContact O-N 3.46Å; G211-I215 PolarHBondContact O-N 2.9Å
212M85.5Confident86.4Confident0 Ų031.7 Ų31.70%018%0.182CC..Hα-helixtrans-62.1-33.9171.2-70.6179.377.900112.4L196 Y199 Y208 V209 E214 I215 V216 F243 M247 F254L196-M212 HydrophobicContact CD2-CB 4.1Å; Y199-M212 HydrophobicContact CD1-CE 3.52Å; Y199-M212 HydrophobicContact CE1-CE 3.17Å; Y199-M212 HydrophobicContact CE1-SD 4.46Å; Y199-M212 HydrophobicContact CG-CE 4.38Å; Y208-M212 HydrophobicContact CD2-CB 4.13Å; Y208-M212 HydrophobicContact CD2-SD 4.34Å; Y208-M212 HydrophobicContact CE2-CB 3.86Å; V209-M212 HydrophobicContact CB-CG 4.43Å; V209-M212 HydrophobicContact CB-SD 4.07Å; V209-M212 HydrophobicContact CG2-SD 4.47Å; V209-M212 PolarHBondContact N-SD 3.5Å; V209-M212 VanDerWaalsContact O-CB 3.28Å; V209-M212 WeakPolarHBondContact O-CB 2.91Å; V209-M212 WeakPolarHBondContact O-CG 3.45Å; V209-M212 PolarHBondContact O-N 2.95Å; V209-M212 VanDerWaalsContact O-N 3.1Å; M212-E214 PolarHBondContact O-N 3.08Å; M212-I215 WeakPolarHBondContact O-CB 2.87Å; M212-I215 PolarHBondContact O-N 2.84Å; M212-I215 VanDerWaalsContact O-N 3.14Å; M212-V216 PolarHBondContact O-N 3.42Å; M212-V216 VanDerWaalsContact O-N 3.15Å; M212-F243 HydrophobicContact CB-CZ 4.13Å; M212-F243 HydrophobicContact CE-CE1 4.02Å; M212-F243 HydrophobicContact CE-CZ 3.48Å; M212-F243 VanDerWaalsContact CE-CZ 3.48Å; M212-M247 HydrophobicContact CE-CE 3.47Å; M212-M247 VanDerWaalsContact CE-CE 3.47Å; M212-M247 HydrophobicContact CE-CG 3.98Å; M212-M247 HydrophobicContact CE-SD 3.65Å; M212-M247 HydrophobicContact CG-CE 4.39Å; M212-M247 HydrophobicContact CG-SD 4.36Å; M212-M247 HydrophobicContact SD-CE 4.26Å; M212-F254 HydrophobicContact CG-CD1 4.19Å; M212-F254 HydrophobicContact CG-CE1 3.93Å; M212-F254 HydrophobicContact CG-CZ 4.38Å
213N87.8Confident86.5Confident8 Ų828.3 Ų28.34%0.04317%0.165CC..Hα-helixtrans-58-33.9172.164-53.6000112.5D112 V113 L116 L196 Y208 G211 I215 V216 G217D112-N213 HydrophobicContact CB-CB 4.35Å; D112-N213 PolarHBondContact O-ND2 2.76Å; D112-N213 VanDerWaalsContact O-ND2 3.09Å; V113-N213 HydrophobicContact CG1-CB 4.27Å; L116-N213 WeakPolarHBondContact CD1-O 3.39Å; L196-N213 HydrophobicContact CD1-CB 3.82Å; Y208-N213 PolarHBondContact OH-OD1 3.34Å; G211-N213 WeakPolarHBondContact CA-OD1 3.47Å; G211-N213 PolarHBondContact N-OD1 3.05Å; G211-N213 VanDerWaalsContact N-OD1 3.12Å; G211-N213 PolarHBondContact O-N 3.05Å; N213-I215 VanDerWaalsContact C-N 3.31Å; N213-I215 PolarHBondContact O-N 2.6Å; N213-V216 WeakPolarHBondContact O-CG1 3.44Å; N213-G217 PolarHBondContact O-N 3.49Å
214E81Confident86.6Confident42 Ų4227.2 Ų27.220%0.19616%0.16CC..Hα-helixtrans-77.2-17.3179.9-63.2-167.7-178.600114.1L116 G211 M212 P218 S305 S306L116-E214 HydrophobicContact CD1-CG 4.48Å; G211-E214 WeakPolarHBondContact O-CB 3.4Å; G211-E214 PolarHBondContact O-N 3.46Å; M212-E214 PolarHBondContact O-N 3.08Å; E214-P218 WeakPolarHBondContact O-CD 3.01Å; E214-S305 PolarHBondContact O-OG 3.31Å; E214-S305 VanDerWaalsContact O-OG 3.08Å; E214-S305 VanDerWaalsContact OE2-CB 3.23Å; E214-S305 WeakPolarHBondContact OE2-CB 3.25Å; E214-S306 PolarHBondContact OE1-OG 3.31Å; E214-S306 VanDerWaalsContact OE1-OG 3.04Å; E214-S306 WeakPolarHBondContact OE2-CA 3.48Å; E214-S306 WeakPolarHBondContact OE2-CB 3.28Å; E214-S306 PolarHBondContact OE2-N 3.03Å; E214-S306 PolarHBondContact OE2-OG 3.49Å
215I84Confident86.9Confident8 Ų825.3 Ų25.34%0.04115%0.149CC..Hα-helixtrans-84.5-49.6174.7-67.2161.9000110G211 M212 N213 G217 P218 I219 F243 L246 M247 I250 F254 W323G211-I215 PolarHBondContact O-N 2.9Å; M212-I215 WeakPolarHBondContact O-CB 2.87Å; M212-I215 PolarHBondContact O-N 2.84Å; M212-I215 VanDerWaalsContact O-N 3.14Å; N213-I215 VanDerWaalsContact C-N 3.31Å; N213-I215 PolarHBondContact O-N 2.6Å; I215-G217 VanDerWaalsContact C-N 3.31Å; I215-G217 PolarHBondContact O-N 3.46Å; I215-P218 WeakPolarHBondContact O-CD 3.13Å; I215-I219 HydrophobicContact CG2-CD1 4.48Å; I215-F243 HydrophobicContact CB-CE2 4.15Å; I215-F243 HydrophobicContact CG2-CD2 3.92Å; I215-F243 HydrophobicContact CG2-CE2 3.89Å; I215-L246 HydrophobicContact CG2-CD2 3.53Å; I215-M247 HydrophobicContact CD1-SD 4.38Å; I215-I250 HydrophobicContact CD1-CD1 3.6Å; I215-F254 HydrophobicContact CD1-CE2 4.12Å; I215-F254 HydrophobicContact CD1-CZ 3.61Å; I215-W323 HydrophobicContact CB-CH2 4.2Å; I215-W323 HydrophobicContact CG1-CH2 4.14Å; I215-W323 HydrophobicContact CG2-CH2 3.85Å
216V90.3Very high87.3Confident0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-70.1-29.5-179.667.20000112.3V192 I195 L196 M212 N213 I219 Y220 F243V192-V216 HydrophobicContact CG1-CG1 3.56Å; I195-V216 HydrophobicContact CD1-CG2 4.43Å; I195-V216 HydrophobicContact CG2-CG2 3.85Å; L196-V216 HydrophobicContact CD1-CG1 4.18Å; L196-V216 HydrophobicContact CD2-CG1 3.87Å; L196-V216 HydrophobicContact CG-CG1 4.03Å; M212-V216 PolarHBondContact O-N 3.42Å; M212-V216 VanDerWaalsContact O-N 3.15Å; N213-V216 WeakPolarHBondContact O-CG1 3.44Å; V216-I219 PolarHBondContact O-N 3.04Å; V216-Y220 WeakPolarHBondContact O-CB 3.43Å; V216-Y220 PolarHBondContact O-N 2.94Å; V216-F243 HydrophobicContact CB-CD2 3.73Å; V216-F243 HydrophobicContact CB-CE2 3.98Å; V216-F243 HydrophobicContact CB-CG 4.11Å; V216-F243 HydrophobicContact CG2-CB 4.25Å; V216-F243 HydrophobicContact CG2-CD2 4.26Å; V216-F243 HydrophobicContact CG2-CG 4.16Å
217G89.5Confident87.6Confident1 Ų123.3 Ų23.31%0.0113%0.126CC..Hα-helixtrans-53.7-56.8-177.700000114.2N213 I215 I219 Y220 Y221N213-G217 PolarHBondContact O-N 3.49Å; I215-G217 VanDerWaalsContact C-N 3.31Å; I215-G217 PolarHBondContact O-N 3.46Å; G217-I219 VanDerWaalsContact C-N 3.35Å; G217-I219 PolarHBondContact O-N 2.84Å; G217-Y220 PolarHBondContact O-N 3.25Å; G217-Y221 WeakPolarHBondContact O-CB 3.49Å; G217-Y221 PolarHBondContact O-N 3.15Å
218P86.7Confident87.7Confident1 Ų122.6 Ų22.61%0.00613%0.127CC..Hα-helixtrans-59.1-40.7175.7-26.735.4000113.6W36 E214 I215 Y221 V222 V319 W323W36-P218 HydrophobicContact CH2-CB 4.22Å; W36-P218 HydrophobicContact CZ3-CB 4.4Å; E214-P218 WeakPolarHBondContact O-CD 3.01Å; I215-P218 WeakPolarHBondContact O-CD 3.13Å; P218-Y221 PolarHBondContact O-N 3.14Å; P218-V222 WeakPolarHBondContact O-CG2 3.43Å; P218-V222 PolarHBondContact O-N 3.35Å; P218-V319 HydrophobicContact CG-CG1 4.35Å; P218-W323 HydrophobicContact CB-CG 4.47Å
219I91.3Very high87.8Confident0 Ų025.8 Ų25.80%015%0.147CC..Hα-helixtrans-60.1-51.6178.2-61.3172.4000110W36 L40 I215 V216 G217 Y221 V222 F223 C242 L246W36-I219 HydrophobicContact CE3-CG1 4.16Å; W36-I219 HydrophobicContact CZ3-CB 4.31Å; W36-I219 HydrophobicContact CZ3-CG1 3.86Å; L40-I219 HydrophobicContact CD1-CD1 4.1Å; L40-I219 HydrophobicContact CD1-CG1 4.32Å; I215-I219 HydrophobicContact CG2-CD1 4.48Å; V216-I219 PolarHBondContact O-N 3.04Å; G217-I219 VanDerWaalsContact C-N 3.35Å; G217-I219 PolarHBondContact O-N 2.84Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 3.47Å; I219-V222 PolarHBondContact O-N 3.31Å; I219-F223 HydrophobicContact CG2-CD2 4.04Å; I219-F223 HydrophobicContact CG2-CE2 3.54Å; I219-F223 HydrophobicContact CG2-CZ 4.04Å; I219-F223 PolarHBondContact O-N 3.45Å; I219-F223 VanDerWaalsContact O-N 3.17Å; I219-C242 HydrophobicContact CG2-CB 3.89Å; I219-L246 HydrophobicContact CD1-CD2 4.09Å
220Y94.6Very high88.2Confident6 Ų629.9 Ų29.92%0.02417%0.165CC..Hα-helixtrans-62.8-42.3178.8178.2-114.9000112F122 F123 H188 V191 V192 I195 V216 G217 V222 F223 A224 A235 S239F122-Y220 HydrophobicContact CE1-CD1 4.28Å; F122-Y220 HydrophobicContact CE1-CE1 4.12Å; F123-Y220 HydrophobicContact CE1-CD1 4.22Å; H188-Y220 HydrophobicContact CB-CE1 3.87Å; H188-Y220 AromaticContact CG-CE1 4Å; H188-Y220 AromaticContact ND1-CE1 3.39Å; H188-Y220 WeakPolarHBondContact ND1-CE1 3.43Å; H188-Y220 AromaticContact ND1-CZ 3.48Å; H188-Y220 PolarHBondContact ND1-OH 2.91Å; V191-Y220 HydrophobicContact CB-CE1 4.27Å; V191-Y220 HydrophobicContact CB-CE2 4.28Å; V191-Y220 WeakPolarHBondContact CB-OH 3.45Å; V191-Y220 HydrophobicContact CG1-CD2 4.35Å; V191-Y220 HydrophobicContact CG1-CE1 4.39Å; V191-Y220 HydrophobicContact CG1-CE2 3.56Å; V191-Y220 WeakPolarHBondContact CG1-OH 3.39Å; V191-Y220 WeakPolarHBondContact CG2-OH 3.42Å; V192-Y220 HydrophobicContact CG2-CD1 3.55Å; V192-Y220 HydrophobicContact CG2-CE1 4.09Å; V192-Y220 HydrophobicContact CG2-CG 4.07Å; I195-Y220 HydrophobicContact CD1-CD2 4.32Å; V216-Y220 WeakPolarHBondContact O-CB 3.43Å; V216-Y220 PolarHBondContact O-N 2.94Å; G217-Y220 PolarHBondContact O-N 3.25Å; Y220-V222 VanDerWaalsContact C-N 3.35Å; Y220-V222 PolarHBondContact O-N 3.18Å; Y220-F223 PolarHBondContact O-N 3.21Å; Y220-A224 HydrophobicContact CD2-CB 4.32Å; Y220-A224 HydrophobicContact CE1-CB 4.3Å; Y220-A224 HydrophobicContact CE2-CB 3.94Å; Y220-A224 WeakPolarHBondContact O-CB 3.35Å; Y220-A224 PolarHBondContact O-N 3.32Å; Y220-A235 HydrophobicContact CE2-CB 4.35Å; Y220-S239 WeakPolarHBondContact CA-OG 3.11Å
221Y91.5Very high88.7Confident41 Ų4126.6 Ų26.616%0.16115%0.147CC..Hα-helixtrans-58.6-45177.1172.7-100.9000112.5M120 F122 G217 P218 I219 F223 S225 I316 I320M120-Y221 HydrophobicContact CE-CD2 3.42Å; M120-Y221 VanDerWaalsContact CE-CD2 3.42Å; M120-Y221 HydrophobicContact CE-CE1 4.16Å; M120-Y221 HydrophobicContact CE-CE2 3Å; M120-Y221 HydrophobicContact CE-CG 4.17Å; M120-Y221 HydrophobicContact SD-CD2 4.16Å; M120-Y221 HydrophobicContact SD-CE2 4.29Å; F122-Y221 HydrophobicContact CB-CD2 4.44Å; F122-Y221 AromaticContact CD1-CD2 3.79Å; F122-Y221 HydrophobicContact CD1-CD2 3.79Å; F122-Y221 AromaticContact CD2-CD2 3.63Å; F122-Y221 HydrophobicContact CD2-CD2 3.63Å; F122-Y221 AromaticContact CD2-CE2 3.62Å; F122-Y221 HydrophobicContact CD2-CE2 3.62Å; F122-Y221 AromaticContact CE1-CD2 3.92Å; F122-Y221 HydrophobicContact CE1-CD2 3.92Å; F122-Y221 AromaticContact CE2-CD2 3.79Å; F122-Y221 HydrophobicContact CE2-CD2 3.79Å; F122-Y221 AromaticContact CE2-CE2 3.97Å; F122-Y221 HydrophobicContact CE2-CE2 3.97Å; F122-Y221 AromaticContact CG-CD2 3.67Å; F122-Y221 HydrophobicContact CG-CD2 3.67Å; F122-Y221 AromaticContact CG-CE2 3.98Å; F122-Y221 HydrophobicContact CG-CE2 3.98Å; F122-Y221 AromaticContact CZ-CD2 3.95Å; F122-Y221 HydrophobicContact CZ-CD2 3.95Å; G217-Y221 WeakPolarHBondContact O-CB 3.49Å; G217-Y221 PolarHBondContact O-N 3.15Å; P218-Y221 PolarHBondContact O-N 3.14Å; I219-Y221 VanDerWaalsContact C-N 3.35Å; I219-Y221 PolarHBondContact O-N 3.47Å; Y221-F223 VanDerWaalsContact C-N 3.34Å; Y221-F223 PolarHBondContact O-N 2.98Å; Y221-S225 WeakPolarHBondContact CE2-OG 3.42Å; Y221-S225 WeakPolarHBondContact O-CB 3.42Å; Y221-S225 PolarHBondContact O-N 2.87Å; Y221-S225 PolarHBondContact O-OG 3.05Å; Y221-I316 HydrophobicContact CD1-CG1 3.85Å; Y221-I316 HydrophobicContact CE1-CG1 3.91Å; Y221-I316 HydrophobicContact CE1-CG2 4.15Å; Y221-I316 HydrophobicContact CG-CG1 4.32Å; Y221-I320 HydrophobicContact CD1-CD1 3.46Å; Y221-I320 VanDerWaalsContact CD1-CD1 3.46Å; Y221-I320 HydrophobicContact CD1-CG1 4.44Å; Y221-I320 HydrophobicContact CE1-CD1 3.37Å
222V91Very high89.4Confident7 Ų729.3 Ų29.34%0.04216%0.156CC..Hα-helixtrans-62.5-41.6179.3170.70000111R32 P33 W36 P218 I219 Y220 D226 I320R32-V222 HydrophobicContact CG-CG1 4.15Å; P33-V222 HydrophobicContact CB-CG1 4.23Å; P33-V222 HydrophobicContact CG-CG1 3.98Å; W36-V222 HydrophobicContact CD2-CG1 4.3Å; W36-V222 HydrophobicContact CD2-CG2 4.43Å; W36-V222 HydrophobicContact CE3-CB 4.25Å; W36-V222 HydrophobicContact CE3-CG1 4.42Å; W36-V222 HydrophobicContact CE3-CG2 4.2Å; W36-V222 HydrophobicContact CH2-CG2 3.87Å; W36-V222 HydrophobicContact CZ2-CG2 4.1Å; W36-V222 HydrophobicContact CZ3-CB 4.37Å; W36-V222 HydrophobicContact CZ3-CG2 3.93Å; P218-V222 WeakPolarHBondContact O-CG2 3.43Å; P218-V222 PolarHBondContact O-N 3.35Å; I219-V222 PolarHBondContact O-N 3.31Å; Y220-V222 VanDerWaalsContact C-N 3.35Å; Y220-V222 PolarHBondContact O-N 3.18Å; V222-D226 PolarHBondContact O-N 2.9Å; V222-I320 HydrophobicContact CG2-CD1 4.04Å; V222-I320 HydrophobicContact CG2-CG1 4.08Å; V222-I320 HydrophobicContact CG2-CG2 4.09Å
223F93.6Very high89.7Confident0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-78.7-37-178.9-61.1-17.1000113.4P33 W36 R37 I219 Y220 Y221 S225 D226 A235 D238 S239 C242P33-F223 HydrophobicContact CB-CD1 4.04Å; P33-F223 HydrophobicContact CB-CE1 4.43Å; P33-F223 WeakPolarHBondContact O-CE1 3.31Å; W36-F223 HydrophobicContact CB-CE1 3.82Å; W36-F223 HydrophobicContact CB-CZ 4.08Å; R37-F223 HydrophobicContact CG-CE1 3.77Å; R37-F223 HydrophobicContact CG-CE2 4.27Å; R37-F223 HydrophobicContact CG-CZ 3.62Å; I219-F223 HydrophobicContact CG2-CD2 4.04Å; I219-F223 HydrophobicContact CG2-CE2 3.54Å; I219-F223 HydrophobicContact CG2-CZ 4.04Å; I219-F223 PolarHBondContact O-N 3.45Å; I219-F223 VanDerWaalsContact O-N 3.17Å; Y220-F223 PolarHBondContact O-N 3.21Å; Y221-F223 VanDerWaalsContact C-N 3.34Å; Y221-F223 PolarHBondContact O-N 2.98Å; F223-S225 PolarHBondContact O-N 3.23Å; F223-D226 WeakPolarHBondContact O-CB 3.47Å; F223-D226 PolarHBondContact O-N 3.13Å; F223-A235 HydrophobicContact CB-CB 3.8Å; F223-D238 HydrophobicContact CD2-CB 4.02Å; F223-D238 HydrophobicContact CE2-CB 4.26Å; F223-S239 WeakPolarHBondContact CD2-OG 3.31Å; F223-C242 HydrophobicContact CE2-CB 4.01Å; F223-C242 WeakPolarHBondContact CE2-SG 3.32Å; F223-C242 HydrophobicContact CZ-CB 4.36Å; F223-C242 VanDerWaalsContact CZ-SG 3.54Å
224A92.9Very high90Very high9 Ų936 Ų367%0.07419%0.185CC..Hα-helixtrans-74.5-15176.400000112.5F122 Y220 R232 A235F122-A224 HydrophobicContact CZ-CB 3.71Å; Y220-A224 HydrophobicContact CD2-CB 4.32Å; Y220-A224 HydrophobicContact CE1-CB 4.3Å; Y220-A224 HydrophobicContact CE2-CB 3.94Å; Y220-A224 WeakPolarHBondContact O-CB 3.35Å; Y220-A224 PolarHBondContact O-N 3.32Å; A224-R232 WeakPolarHBondContact O-CD 3.16Å; A224-R232 WeakPolarHBondContact O-CG 3.34Å; A224-A235 HydrophobicContact CB-CB 4.15Å
225S90Very high90.7Very high55 Ų5534.2 Ų34.239%0.38518%0.178SC..THydrogen-bonded Turntrans-99.98.6171.8-52.20000113.2Y221 F223 A227Y221-S225 WeakPolarHBondContact CE2-OG 3.42Å; Y221-S225 WeakPolarHBondContact O-CB 3.42Å; Y221-S225 PolarHBondContact O-N 2.87Å; Y221-S225 PolarHBondContact O-OG 3.05Å; F223-S225 PolarHBondContact O-N 3.23Å; S225-A227 PolarHBondContact O-N 3.3Å
226D89.8Confident91.2Very high8 Ų835.2 Ų35.24%0.04318%0.182CC..  trans-60.9130.8-179-168.7-29.5000110.9P33 R37 V222 F223 N228 W231 R232P33-D226 HydrophobicContact CB-CB 4.23Å; P33-D226 WeakPolarHBondContact CB-OD2 3.32Å; P33-D226 HydrophobicContact CG-CB 4Å; R37-D226 IonicContact CZ-OD2 4Å; R37-D226 IonicContact NH1-OD2 3.08Å; R37-D226 PolarHBondContact NH1-OD2 3.46Å; R37-D226 IonicContact NH2-OD2 3.9Å; R37-D226 PolarHBondContact NH2-OD2 3.42Å; V222-D226 PolarHBondContact O-N 2.9Å; F223-D226 WeakPolarHBondContact O-CB 3.47Å; F223-D226 PolarHBondContact O-N 3.13Å; D226-N228 PolarHBondContact O-N 3.46Å; D226-N228 PolarHBondContact OD1-N 2.83Å; D226-W231 WeakPolarHBondContact OD2-CB 3.47Å; D226-R232 PolarHBondContact O-NE 3.33Å; D226-R232 PolarHBondContact O-NH2 3.07Å
227A88.3Confident91.4Very high50 Ų5035.4 Ų35.441%0.41318%0.184SC..SBendtrans-60.5-26178.400000112.7N30 S225 V229N30-A227 HydrophobicContact CB-CB 4.21Å; N30-A227 VanDerWaalsContact CG-CB 3.48Å; N30-A227 VanDerWaalsContact OD1-CB 3.29Å; N30-A227 WeakPolarHBondContact OD1-CB 3.23Å; S225-A227 PolarHBondContact O-N 3.3Å; A227-V229 PolarHBondContact O-N 2.93Å
228N89Confident91.7Very high76 Ų7635.5 Ų35.541%0.40618%0.184SC..  trans-83.5115.3178.1-166.3-37.1000111.8D226 E230 W231 R232D226-N228 PolarHBondContact O-N 3.46Å; D226-N228 PolarHBondContact OD1-N 2.83Å; N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 2.94Å; N228-E230 PolarHBondContact OD1-N 3.46Å; N228-E230 VanDerWaalsContact OD1-N 3.1Å; N228-W231 HydrophobicContact CB-CB 4.24Å; N228-W231 HydrophobicContact CB-CG 4.29Å; N228-W231 PolarHBondContact O-N 2.79Å; N228-W231 VanDerWaalsContact O-N 3.14Å; N228-R232 PolarHBondContact O-N 3.38Å
229V90Very high92.2Very high79 Ų7935.4 Ų35.448%0.47918%0.184SC..Hα-helixtrans-56.4-43.3-178.2-177.20000112.2Y129 A227 W231 R232 K233Y129-V229 WeakPolarHBondContact OH-CG1 3.45Å; A227-V229 PolarHBondContact O-N 2.93Å; V229-W231 VanDerWaalsContact C-N 3.29Å; V229-W231 PolarHBondContact O-N 3.16Å; V229-R232 PolarHBondContact O-N 2.89Å; V229-K233 PolarHBondContact O-N 3.19Å
230E89.8Confident92.4Very high116 Ų11635.8 Ų35.854%0.54219%0.185SC..Hα-helixtrans-66.3-33.2-179.1-71-58.1129.800112.2N228 H234N228-E230 VanDerWaalsContact C-N 3.33Å; N228-E230 PolarHBondContact O-N 2.94Å; N228-E230 PolarHBondContact OD1-N 3.46Å; N228-E230 VanDerWaalsContact OD1-N 3.1Å; E230-H234 PolarHBondContact O-CD2 2.98Å; E230-H234 VanDerWaalsContact O-CD2 3.29Å
231W90.3Very high92.4Very high46 Ų4636.5 Ų36.517%0.17419%0.188CC..Hα-helixtrans-78.5-39176.9-71.781.5000111.6R37 L43 W50 L54 D226 N228 V229 K233 H234 A235R37-W231 VanDerWaalsContact CD-CZ3 3.48Å; R37-W231 VanDerWaalsContact NE-CE3 3.33Å; L43-W231 HydrophobicContact CD1-CH2 4.03Å; L43-W231 HydrophobicContact CD1-CZ3 4.33Å; L43-W231 HydrophobicContact CD2-CH2 4.25Å; W50-W231 HydrophobicContact CE3-CH2 4.43Å; L54-W231 HydrophobicContact CD1-CE3 4.49Å; L54-W231 HydrophobicContact CD1-CH2 3.38Å; L54-W231 HydrophobicContact CD1-CZ2 4.17Å; L54-W231 HydrophobicContact CD1-CZ3 3.53Å; L54-W231 HydrophobicContact CD2-CZ3 4.19Å; D226-W231 WeakPolarHBondContact OD2-CB 3.47Å; N228-W231 HydrophobicContact CB-CB 4.24Å; N228-W231 HydrophobicContact CB-CG 4.29Å; N228-W231 PolarHBondContact O-N 2.79Å; N228-W231 VanDerWaalsContact O-N 3.14Å; V229-W231 VanDerWaalsContact C-N 3.29Å; V229-W231 PolarHBondContact O-N 3.16Å; W231-K233 VanDerWaalsContact C-N 3.27Å; W231-K233 PolarHBondContact O-N 2.93Å; W231-H234 CarbonylContact O-C 3.55Å; W231-H234 PolarHBondContact O-N 3.47Å; W231-H234 VanDerWaalsContact O-N 3.07Å; W231-A235 PolarHBondContact O-N 3.16Å
232R91.1Very high92.5Very high63 Ų6334.5 Ų34.524%0.23818%0.181CC..Hα-helixtrans-60.4-38177.1-160.4-174.3-53.5162.57112.1D128 Y129 A224 D226 N228 V229 H234 A235D128-R232 IonicContact OD2-NH1 2.63Å; Y129-R232 HydrophobicContact CD2-CG 4.41Å; Y129-R232 HydrophobicContact CE2-CB 3.98Å; Y129-R232 HydrophobicContact CE2-CG 3.92Å; A224-R232 WeakPolarHBondContact O-CD 3.16Å; A224-R232 WeakPolarHBondContact O-CG 3.34Å; D226-R232 PolarHBondContact O-NE 3.33Å; D226-R232 PolarHBondContact O-NH2 3.07Å; N228-R232 PolarHBondContact O-N 3.38Å; V229-R232 PolarHBondContact O-N 2.89Å; R232-H234 PolarHBondContact O-N 3.47Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 3.13Å
233K92.1Very high92.7Very high99 Ų9934.2 Ų34.243%0.4318%0.179SC..THydrogen-bonded Turntrans-57.1-30.6175.1-177.9179.5174.3-170.40113.4Y129 V229 W231Y129-K233 HydrophobicContact CD1-CB 3.99Å; Y129-K233 HydrophobicContact CD1-CG 3.83Å; Y129-K233 HydrophobicContact CD2-CB 4.5Å; Y129-K233 HydrophobicContact CE1-CB 3.79Å; Y129-K233 HydrophobicContact CE1-CD 4.47Å; Y129-K233 HydrophobicContact CE1-CG 3.94Å; Y129-K233 HydrophobicContact CE2-CB 4.32Å; Y129-K233 HydrophobicContact CG-CB 4.34Å; Y129-K233 HydrophobicContact CG-CG 4.4Å; V229-K233 PolarHBondContact O-N 3.19Å; W231-K233 VanDerWaalsContact C-N 3.27Å; W231-K233 PolarHBondContact O-N 2.93Å
234H93.5Very high92.6Very high49 Ų4936.1 Ų36.123%0.22719%0.188CC..THydrogen-bonded Turntrans-107.417.7179.8-63.2-71.2000112.8R58 E230 W231 R232 E236 A237 D238R58-H234 HydrophobicContact CG-CB 4.29Å; R58-H234 VanDerWaalsContact CZ-CB 3.45Å; R58-H234 VanDerWaalsContact NE-CB 3.3Å; R58-H234 PolarHBondContact NH1-CD2 3.19Å; E230-H234 PolarHBondContact O-CD2 2.98Å; E230-H234 VanDerWaalsContact O-CD2 3.29Å; W231-H234 CarbonylContact O-C 3.55Å; W231-H234 PolarHBondContact O-N 3.47Å; W231-H234 VanDerWaalsContact O-N 3.07Å; R232-H234 PolarHBondContact O-N 3.47Å; H234-E236 PolarHBondContact O-N 2.87Å; H234-A237 PolarHBondContact O-N 2.97Å; H234-D238 WeakPolarHBondContact O-CB 3.5Å; H234-D238 PolarHBondContact O-N 3.47Å
235A94.8Very high92.5Very high4 Ų437.8 Ų37.83%0.03320%0.195CC..Hα-helixtrans-56.7-37.2-177.500000112.4Y220 F223 A224 W231 R232 S239Y220-A235 HydrophobicContact CE2-CB 4.35Å; F223-A235 HydrophobicContact CB-CB 3.8Å; A224-A235 HydrophobicContact CB-CB 4.15Å; W231-A235 PolarHBondContact O-N 3.16Å; R232-A235 WeakPolarHBondContact O-CB 3.47Å; R232-A235 PolarHBondContact O-N 3.13Å; A235-S239 WeakPolarHBondContact O-CB 3.16Å; A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-OG 3.04Å
236E95.4Very high92.4Very high29 Ų2935.5 Ų35.514%0.13618%0.179CC..Hα-helixtrans-61.8-55.7178.4-177.8-179.2163.100112.4Y61 V191 R194 I195 H234 D238 S239 Y240Y61-E236 HydrophobicContact CE1-CG 3.66Å; Y61-E236 WeakPolarHBondContact CE1-OE1 3.49Å; Y61-E236 WeakPolarHBondContact OH-CG 3.5Å; Y61-E236 PolarHBondContact OH-OE1 3.27Å; V191-E236 HydrophobicContact CG1-CB 3.78Å; V191-E236 HydrophobicContact CG1-CG 3.55Å; R194-E236 IonicContact CZ-OE1 2.64Å; R194-E236 VanDerWaalsContact CZ-OE1 3.31Å; R194-E236 IonicContact CZ-OE2 3.68Å; R194-E236 IonicContact NE-OE1 3.51Å; R194-E236 PolarHBondContact NE-OE1 3.35Å; R194-E236 IonicContact NE-OE2 3.23Å; R194-E236 VanDerWaalsContact NH2-CD 3.31Å; R194-E236 IonicContact NH2-OE1 2.65Å; R194-E236 PolarHBondContact NH2-OE1 3.22Å; R194-E236 IonicContact NH2-OE2 3.31Å; R194-E236 PolarHBondContact NH2-OE2 3.35Å; I195-E236 HydrophobicContact CD1-CG 4Å; I195-E236 HydrophobicContact CG1-CG 3.83Å; H234-E236 PolarHBondContact O-N 2.87Å; E236-D238 PolarHBondContact O-N 2.98Å; E236-S239 WeakPolarHBondContact O-CB 3.49Å; E236-S239 PolarHBondContact O-N 3.03Å; E236-Y240 PolarHBondContact O-N 3.03Å
237A95.1Very high92.1Very high5 Ų535.1 Ų35.14%0.04118%0.177CC..Hα-helixtrans-60.8-46.2179.700000111.4R58 Y61 H234 S239 Y240 F241R58-A237 HydrophobicContact CG-CB 4.06Å; Y61-A237 HydrophobicContact CD1-CB 3.62Å; Y61-A237 HydrophobicContact CE1-CB 4.38Å; Y61-A237 HydrophobicContact CG-CB 3.79Å; H234-A237 PolarHBondContact O-N 2.97Å; A237-S239 VanDerWaalsContact C-N 3.28Å; A237-S239 PolarHBondContact O-N 3.39Å; A237-Y240 WeakPolarHBondContact O-CB 3.35Å; A237-Y240 PolarHBondContact O-N 3.29Å; A237-F241 WeakPolarHBondContact O-CD2 3.19Å; A237-F241 PolarHBondContact O-N 3.39Å
238D95.2Very high91.9Very high2 Ų236.3 Ų36.31%0.01118%0.182CC..Hα-helixtrans-61.9-38.1177.9-683.3000110.9R37 R58 F223 H234 E236 C242R37-D238 IonicContact CZ-OD2 2.84Å; R37-D238 IonicContact NE-OD2 3.27Å; R37-D238 PolarHBondContact NE-OD2 2.75Å; R37-D238 IonicContact NH2-OD2 3.13Å; R37-D238 PolarHBondContact NH2-OD2 3.45Å; R58-D238 IonicContact CZ-OD1 3.59Å; R58-D238 IonicContact NE-OD1 3.57Å; R58-D238 PolarHBondContact NE-OD1 3.13Å; R58-D238 IonicContact NH2-OD1 2.84Å; R58-D238 PolarHBondContact NH2-OD1 3.39Å; R58-D238 IonicContact NH2-OD2 3.07Å; R58-D238 PolarHBondContact NH2-OD2 3.08Å; R58-D238 VanDerWaalsContact NH2-OD2 3.08Å; F223-D238 HydrophobicContact CD2-CB 4.02Å; F223-D238 HydrophobicContact CE2-CB 4.26Å; H234-D238 WeakPolarHBondContact O-CB 3.5Å; H234-D238 PolarHBondContact O-N 3.47Å; E236-D238 PolarHBondContact O-N 2.98Å; D238-C242 WeakPolarHBondContact O-CB 3.34Å; D238-C242 PolarHBondContact O-N 2.74Å; D238-C242 VanDerWaalsContact O-N 3.08Å; D238-C242 PolarHBondContact O-SG 3.12Å
239S96.4Very high91.5Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-65.8-41.6176-61.40000111.8Y220 F223 A235 E236 A237 C242 F243Y220-S239 WeakPolarHBondContact CA-OG 3.11Å; F223-S239 WeakPolarHBondContact CD2-OG 3.31Å; A235-S239 WeakPolarHBondContact O-CB 3.16Å; A235-S239 PolarHBondContact O-N 3.43Å; A235-S239 PolarHBondContact O-OG 3.04Å; E236-S239 WeakPolarHBondContact O-CB 3.49Å; E236-S239 PolarHBondContact O-N 3.03Å; A237-S239 VanDerWaalsContact C-N 3.28Å; A237-S239 PolarHBondContact O-N 3.39Å; S239-C242 PolarHBondContact O-N 2.79Å; S239-F243 WeakPolarHBondContact O-CB 3.26Å; S239-F243 PolarHBondContact O-N 2.91Å
240Y96.3Very high90.8Very high8 Ų833 Ų333%0.03116%0.159CC..Hα-helixtrans-59.2-48.8178.1169.9-95.5000111.6Y61 L64 I195 I198 L202 E236 A237 F243 Q244Y61-Y240 AromaticContact CD2-CD1 3.47Å; Y61-Y240 HydrophobicContact CD2-CD1 3.47Å; Y61-Y240 VanDerWaalsContact CD2-CD1 3.47Å; Y61-Y240 HydrophobicContact CD2-CD2 4.29Å; Y61-Y240 HydrophobicContact CD2-CE1 4.21Å; Y61-Y240 AromaticContact CD2-CG 3.54Å; Y61-Y240 HydrophobicContact CD2-CG 3.54Å; Y61-Y240 AromaticContact CE2-CD1 3.79Å; Y61-Y240 HydrophobicContact CE2-CD1 3.79Å; Y61-Y240 AromaticContact CE2-CD2 3.76Å; Y61-Y240 HydrophobicContact CE2-CD2 3.76Å; Y61-Y240 AromaticContact CE2-CG 3.32Å; Y61-Y240 HydrophobicContact CE2-CG 3.32Å; L64-Y240 HydrophobicContact CD1-CE1 4.15Å; I195-Y240 HydrophobicContact CG2-CD2 4.13Å; I198-Y240 HydrophobicContact CB-CE2 4.4Å; I198-Y240 HydrophobicContact CG2-CD2 4.33Å; I198-Y240 HydrophobicContact CG2-CE2 3.78Å; L202-Y240 WeakPolarHBondContact CD1-OH 3.26Å; E236-Y240 PolarHBondContact O-N 3.03Å; A237-Y240 WeakPolarHBondContact O-CB 3.35Å; A237-Y240 PolarHBondContact O-N 3.29Å; Y240-F243 PolarHBondContact O-N 2.95Å; Y240-Q244 VanDerWaalsContact O-CB 3.31Å; Y240-Q244 WeakPolarHBondContact O-CB 3.31Å; Y240-Q244 PolarHBondContact O-N 3.2Å; Y240-Q244 PolarHBondContact OH-OE1 3.36Å
241F95Very high89.9Confident20 Ų2029.4 Ų29.49%0.08814%0.143CC..Hα-helixtrans-69.4-40.7-179.9-70-69.8000112.7H57 L60 A237 F243 Q244 N245H57-F241 HydrophobicContact CB-CD2 3.98Å; H57-F241 HydrophobicContact CB-CE2 3.62Å; H57-F241 HydrophobicContact CB-CZ 3.99Å; H57-F241 AromaticContact CD2-CD1 3.71Å; H57-F241 AromaticContact CD2-CE1 3.69Å; H57-F241 AromaticContact CD2-CG 3.9Å; H57-F241 AromaticContact CD2-CZ 3.88Å; H57-F241 WeakPolarHBondContact O-CE2 3.46Å; H57-F241 VanDerWaalsContact O-CZ 3.26Å; H57-F241 WeakPolarHBondContact O-CZ 3.38Å; L60-F241 HydrophobicContact CD2-CE1 3.96Å; L60-F241 HydrophobicContact CD2-CZ 3.7Å; A237-F241 WeakPolarHBondContact O-CD2 3.19Å; A237-F241 PolarHBondContact O-N 3.39Å; F241-F243 VanDerWaalsContact C-N 3.28Å; F241-F243 PolarHBondContact O-N 3.46Å; F241-Q244 PolarHBondContact O-N 3.42Å; F241-N245 WeakPolarHBondContact O-CB 3.28Å; F241-N245 PolarHBondContact O-N 2.99Å; F241-N245 PolarHBondContact O-ND2 3.14Å
242C93.9Very high88.8Confident0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-58.3-44.2173.1-73.40000111.4L40 C42 I219 F223 D238 S239 L246L40-C242 HydrophobicContact CB-CB 4.04Å; L40-C242 HydrophobicContact CD1-CB 3.74Å; C42-C242 WeakPolarHBondContact CB-SG 3.49Å; I219-C242 HydrophobicContact CG2-CB 3.89Å; F223-C242 HydrophobicContact CE2-CB 4.01Å; F223-C242 WeakPolarHBondContact CE2-SG 3.32Å; F223-C242 HydrophobicContact CZ-CB 4.36Å; F223-C242 VanDerWaalsContact CZ-SG 3.54Å; D238-C242 WeakPolarHBondContact O-CB 3.34Å; D238-C242 PolarHBondContact O-N 2.74Å; D238-C242 VanDerWaalsContact O-N 3.08Å; D238-C242 PolarHBondContact O-SG 3.12Å; S239-C242 PolarHBondContact O-N 2.79Å; C242-L246 WeakPolarHBondContact O-CB 3.42Å; C242-L246 PolarHBondContact O-N 2.89Å
243F93.5Very high87.5Confident0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-65.8-45.7177.2175.6-109.8000112I195 L196 Y199 M212 I215 V216 S239 Y240 F241 N245 L246 M247I195-F243 HydrophobicContact CG2-CD1 4.45Å; L196-F243 HydrophobicContact CD2-CE1 4Å; L196-F243 HydrophobicContact CD2-CZ 3.76Å; Y199-F243 HydrophobicContact CD1-CE1 4.17Å; Y199-F243 AromaticContact CD2-CD1 3.9Å; Y199-F243 HydrophobicContact CD2-CD1 3.9Å; Y199-F243 AromaticContact CD2-CE1 3.6Å; Y199-F243 HydrophobicContact CD2-CE1 3.6Å; Y199-F243 HydrophobicContact CE2-CE1 4.16Å; Y199-F243 HydrophobicContact CG-CD1 4.25Å; Y199-F243 AromaticContact CG-CE1 3.61Å; Y199-F243 HydrophobicContact CG-CE1 3.61Å; M212-F243 HydrophobicContact CB-CZ 4.13Å; M212-F243 HydrophobicContact CE-CE1 4.02Å; M212-F243 HydrophobicContact CE-CZ 3.48Å; M212-F243 VanDerWaalsContact CE-CZ 3.48Å; I215-F243 HydrophobicContact CB-CE2 4.15Å; I215-F243 HydrophobicContact CG2-CD2 3.92Å; I215-F243 HydrophobicContact CG2-CE2 3.89Å; V216-F243 HydrophobicContact CB-CD2 3.73Å; V216-F243 HydrophobicContact CB-CE2 3.98Å; V216-F243 HydrophobicContact CB-CG 4.11Å; V216-F243 HydrophobicContact CG2-CB 4.25Å; V216-F243 HydrophobicContact CG2-CD2 4.26Å; V216-F243 HydrophobicContact CG2-CG 4.16Å; S239-F243 WeakPolarHBondContact O-CB 3.26Å; S239-F243 PolarHBondContact O-N 2.91Å; Y240-F243 PolarHBondContact O-N 2.95Å; F241-F243 VanDerWaalsContact C-N 3.28Å; F241-F243 PolarHBondContact O-N 3.46Å; F243-N245 VanDerWaalsContact C-N 3.34Å; F243-N245 PolarHBondContact O-N 3.5Å; F243-L246 PolarHBondContact O-N 3.34Å; F243-M247 HydrophobicContact CD1-CG 4.16Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 3.78Å; F243-M247 HydrophobicContact CE2-CG 3.55Å; F243-M247 HydrophobicContact CE2-SD 3.76Å; F243-M247 HydrophobicContact CG-CG 4.26Å; F243-M247 HydrophobicContact CZ-CG 3.47Å; F243-M247 VanDerWaalsContact CZ-CG 3.47Å; F243-M247 HydrophobicContact CZ-SD 3.85Å; F243-M247 VanDerWaalsContact O-CB 3.28Å; F243-M247 WeakPolarHBondContact O-CB 3.25Å; F243-M247 VanDerWaalsContact O-CG 3.26Å; F243-M247 WeakPolarHBondContact O-CG 3.38Å; F243-M247 PolarHBondContact O-N 3.12Å
244Q92.9Very high86Confident40 Ų4025.2 Ų25.219%0.18713%0.133CC..Hα-helixtrans-59.9-44.2177.7177.667.14500111.4N203 Y240 F241 M247 S248N203-Q244 PolarHBondContact ND2-OE1 3.35Å; N203-Q244 VanDerWaalsContact ND2-OE1 3.07Å; N203-Q244 PolarHBondContact OD1-NE2 3.34Å; Y240-Q244 VanDerWaalsContact O-CB 3.31Å; Y240-Q244 WeakPolarHBondContact O-CB 3.31Å; Y240-Q244 PolarHBondContact O-N 3.2Å; Y240-Q244 PolarHBondContact OH-OE1 3.36Å; F241-Q244 PolarHBondContact O-N 3.42Å; Q244-M247 PolarHBondContact O-N 3.02Å; Q244-S248 PolarHBondContact O-N 3.41Å
245N90.4Very high84.5Confident45 Ų4524.8 Ų24.824%0.24113%0.132CC..Hα-helixtrans-63.3-48.2177.4-71.4-12.6000110.9L40 N41 F241 F243 M247 S248 E249L40-N245 VanDerWaalsContact O-CB 3.32Å; L40-N245 WeakPolarHBondContact O-CB 3.42Å; L40-N245 PolarHBondContact O-ND2 3.09Å; N41-N245 VanDerWaalsContact C-ND2 3.33Å; N41-N245 PolarHBondContact O-ND2 3.33Å; N41-N245 VanDerWaalsContact O-ND2 3.1Å; F241-N245 WeakPolarHBondContact O-CB 3.28Å; F241-N245 PolarHBondContact O-N 2.99Å; F241-N245 PolarHBondContact O-ND2 3.14Å; F243-N245 VanDerWaalsContact C-N 3.34Å; F243-N245 PolarHBondContact O-N 3.5Å; N245-M247 VanDerWaalsContact C-N 3.31Å; N245-M247 PolarHBondContact O-N 3.03Å; N245-S248 PolarHBondContact O-N 2.94Å; N245-S248 PolarHBondContact O-OG 2.76Å; N245-E249 PolarHBondContact O-N 3.21Å
246L86.6Confident82.6Confident7 Ų733 Ų334%0.03717%0.167CC..Hα-helixtrans-60.6-43.4176.1-178.760.8000111.5L40 I215 I219 C242 F243 S248 E249 I250 W323L40-L246 HydrophobicContact CD2-CB 4.29Å; L40-L246 HydrophobicContact CD2-CD1 4.3Å; I215-L246 HydrophobicContact CG2-CD2 3.53Å; I219-L246 HydrophobicContact CD1-CD2 4.09Å; C242-L246 WeakPolarHBondContact O-CB 3.42Å; C242-L246 PolarHBondContact O-N 2.89Å; F243-L246 PolarHBondContact O-N 3.34Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.11Å; L246-E249 WeakPolarHBondContact O-CB 3.48Å; L246-E249 PolarHBondContact O-N 3.11Å; L246-E249 VanDerWaalsContact O-N 3.11Å; L246-I250 HydrophobicContact CD1-CG2 4.08Å; L246-I250 HydrophobicContact CG-CD1 4.45Å; L246-I250 HydrophobicContact CG-CG2 4.44Å; L246-I250 WeakPolarHBondContact O-CG2 3.03Å; L246-I250 PolarHBondContact O-N 3.37Å; L246-I250 VanDerWaalsContact O-N 3.14Å; L246-W323 HydrophobicContact CD2-CH2 4.28Å; L246-W323 HydrophobicContact CD2-CZ3 3.81Å
247M85.2Confident80.3Confident0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-60.1-39.1177.5-78.6-52.8-49.600111.8Y199 M212 I215 F243 Q244 N245 E249 I250 I251 F254Y199-M247 HydrophobicContact CD2-CG 4.48Å; Y199-M247 HydrophobicContact CE2-CB 3.55Å; Y199-M247 HydrophobicContact CE2-CG 3.74Å; Y199-M247 WeakPolarHBondContact OH-CB 3.4Å; M212-M247 HydrophobicContact CE-CE 3.47Å; M212-M247 VanDerWaalsContact CE-CE 3.47Å; M212-M247 HydrophobicContact CE-CG 3.98Å; M212-M247 HydrophobicContact CE-SD 3.65Å; M212-M247 HydrophobicContact CG-CE 4.39Å; M212-M247 HydrophobicContact CG-SD 4.36Å; M212-M247 HydrophobicContact SD-CE 4.26Å; I215-M247 HydrophobicContact CD1-SD 4.38Å; F243-M247 HydrophobicContact CD1-CG 4.16Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE1-CG 3.78Å; F243-M247 HydrophobicContact CE2-CG 3.55Å; F243-M247 HydrophobicContact CE2-SD 3.76Å; F243-M247 HydrophobicContact CG-CG 4.26Å; F243-M247 HydrophobicContact CZ-CG 3.47Å; F243-M247 VanDerWaalsContact CZ-CG 3.47Å; F243-M247 HydrophobicContact CZ-SD 3.85Å; F243-M247 VanDerWaalsContact O-CB 3.28Å; F243-M247 WeakPolarHBondContact O-CB 3.25Å; F243-M247 VanDerWaalsContact O-CG 3.26Å; F243-M247 WeakPolarHBondContact O-CG 3.38Å; F243-M247 PolarHBondContact O-N 3.12Å; Q244-M247 PolarHBondContact O-N 3.02Å; N245-M247 VanDerWaalsContact C-N 3.31Å; N245-M247 PolarHBondContact O-N 3.03Å; M247-E249 PolarHBondContact O-N 3.23Å; M247-I250 HydrophobicContact CE-CD1 4.35Å; M247-I250 HydrophobicContact CE-CG1 4.01Å; M247-I250 PolarHBondContact O-N 2.64Å; M247-I250 VanDerWaalsContact O-N 3.16Å; M247-I250 HydrophobicContact SD-CD1 3.68Å; M247-I250 HydrophobicContact SD-CG1 3.89Å; M247-I251 WeakPolarHBondContact O-CA 3.37Å; M247-I251 VanDerWaalsContact O-CB 3.25Å; M247-I251 WeakPolarHBondContact O-CB 3.25Å; M247-I251 PolarHBondContact O-N 2.84Å; M247-F254 HydrophobicContact CE-CD2 3.76Å; M247-F254 HydrophobicContact CE-CE2 4.03Å; M247-F254 HydrophobicContact CE-CG 4.3Å; M247-F254 HydrophobicContact SD-CE2 4.46Å
248S84.2Confident78.1Confident74 Ų7439.8 Ų39.852%0.51721%0.208SC..Hα-helixtrans-62.1-26.7177.576.70000113.6Q244 N245 L246Q244-S248 PolarHBondContact O-N 3.41Å; N245-S248 PolarHBondContact O-N 2.94Å; N245-S248 PolarHBondContact O-OG 2.76Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.11Å
249E79.2Confident76Confident69 Ų6941.8 Ų41.832%0.32222%0.218SC..Hα-helixtrans-82.2-36.5174.9-61175.2-150.400112.3N245 L246 M247 R332 F333N245-E249 PolarHBondContact O-N 3.21Å; L246-E249 WeakPolarHBondContact O-CB 3.48Å; L246-E249 PolarHBondContact O-N 3.11Å; L246-E249 VanDerWaalsContact O-N 3.11Å; M247-E249 PolarHBondContact O-N 3.23Å; E249-R332 VanDerWaalsContact CD-NH1 3.32Å; E249-R332 IonicContact OE1-NH1 2.93Å; E249-R332 PolarHBondContact OE1-NH1 3.1Å; E249-R332 IonicContact OE2-CZ 3.52Å; E249-R332 IonicContact OE2-NE 3.34Å; E249-R332 IonicContact OE2-NH1 3.38Å; E249-R332 PolarHBondContact OE2-NH1 3.41Å; E249-F333 HydrophobicContact CB-CZ 4.05Å; E249-F333 WeakPolarHBondContact O-CZ 3.43Å
250I75.1Confident73.6Confident17 Ų1752.6 Ų52.69%0.08726%0.259CS..Hα-helixtrans-99.40.4-171.877.5-179.5000113.3I215 L246 M247 D252 N253 F254 F333I215-I250 HydrophobicContact CD1-CD1 3.6Å; L246-I250 HydrophobicContact CD1-CG2 4.08Å; L246-I250 HydrophobicContact CG-CD1 4.45Å; L246-I250 HydrophobicContact CG-CG2 4.44Å; L246-I250 WeakPolarHBondContact O-CG2 3.03Å; L246-I250 PolarHBondContact O-N 3.37Å; L246-I250 VanDerWaalsContact O-N 3.14Å; M247-I250 HydrophobicContact CE-CD1 4.35Å; M247-I250 HydrophobicContact CE-CG1 4.01Å; M247-I250 PolarHBondContact O-N 2.64Å; M247-I250 VanDerWaalsContact O-N 3.16Å; M247-I250 HydrophobicContact SD-CD1 3.68Å; M247-I250 HydrophobicContact SD-CG1 3.89Å; I250-D252 PolarHBondContact O-N 3.06Å; I250-D252 VanDerWaalsContact O-N 3.16Å; I250-N253 VanDerWaalsContact O-CB 3.31Å; I250-N253 WeakPolarHBondContact O-CB 3.22Å; I250-N253 PolarHBondContact O-N 3.46Å; I250-N253 PolarHBondContact O-ND2 3.07Å; I250-F254 HydrophobicContact CD1-CD2 4.44Å; I250-F254 HydrophobicContact CD1-CE2 3.56Å; I250-F254 HydrophobicContact CD1-CZ 4.32Å; I250-F254 HydrophobicContact CG1-CD2 4.14Å; I250-F254 HydrophobicContact CG1-CE2 3.72Å; I250-F333 HydrophobicContact CB-CE1 3.82Å; I250-F333 HydrophobicContact CB-CZ 4.2Å; I250-F333 HydrophobicContact CG2-CD1 4.5Å; I250-F333 HydrophobicContact CG2-CE1 3.26Å; I250-F333 HydrophobicContact CG2-CZ 3.51Å
251I71.6Confident71.5Confident41 Ų4153.9 Ų53.921%0.2127%0.269CS..G310 helixtrans-56.3-36.5-168.1-158.7164.7000113.1V206 M247 N253 F254 I255V206-I251 HydrophobicContact CG2-CD1 3.59Å; V206-I251 HydrophobicContact CG2-CG1 3.59Å; M247-I251 WeakPolarHBondContact O-CA 3.37Å; M247-I251 VanDerWaalsContact O-CB 3.25Å; M247-I251 WeakPolarHBondContact O-CB 3.25Å; M247-I251 PolarHBondContact O-N 2.84Å; I251-N253 PolarHBondContact O-N 3.32Å; I251-F254 PolarHBondContact O-N 3.46Å; I251-I255 HydrophobicContact CG1-CD1 4.21Å; I251-I255 PolarHBondContact O-N 3.25Å
252D67.4Low69.1Low72 Ų7258.2 Ų58.239%0.38530%0.298SS..G310 helixtrans-63.4-24.9-179.1-68.4-19.9000112.4I250 F254 L258I250-D252 PolarHBondContact O-N 3.06Å; I250-D252 VanDerWaalsContact O-N 3.16Å; D252-F254 VanDerWaalsContact C-N 3.29Å; D252-F254 PolarHBondContact O-N 3.38Å; D252-L258 HydrophobicContact CB-CD1 3.92Å
253N63.7Low67.1Low28 Ų2862.1 Ų62.115%0.1532%0.321CS..G310 helixtrans-75.3-16.7176-57.6-43.2000112.8I250 I251 I265 Q268I250-N253 VanDerWaalsContact O-CB 3.31Å; I250-N253 WeakPolarHBondContact O-CB 3.22Å; I250-N253 PolarHBondContact O-N 3.46Å; I250-N253 PolarHBondContact O-ND2 3.07Å; I251-N253 PolarHBondContact O-N 3.32Å; N253-I265 WeakPolarHBondContact O-CD1 3.37Å; N253-I265 WeakPolarHBondContact O-CG1 3.36Å; N253-Q268 PolarHBondContact OD1-NE2 3.08Å
254F61.3Low65.4Low19 Ų1962.1 Ų62.18%0.08332%0.321CS..THydrogen-bonded Turntrans-102.2-13.8-177.2-72.5-85.4000113.3V206 V209 M212 I215 M247 I250 I251 D252 K256 F300V206-F254 HydrophobicContact CG1-CB 4.27Å; V209-F254 HydrophobicContact CB-CD1 3.8Å; V209-F254 HydrophobicContact CG1-CD1 3.85Å; V209-F254 HydrophobicContact CG2-CB 4.29Å; V209-F254 HydrophobicContact CG2-CD1 4.43Å; M212-F254 HydrophobicContact CG-CD1 4.19Å; M212-F254 HydrophobicContact CG-CE1 3.93Å; M212-F254 HydrophobicContact CG-CZ 4.38Å; I215-F254 HydrophobicContact CD1-CE2 4.12Å; I215-F254 HydrophobicContact CD1-CZ 3.61Å; M247-F254 HydrophobicContact CE-CD2 3.76Å; M247-F254 HydrophobicContact CE-CE2 4.03Å; M247-F254 HydrophobicContact CE-CG 4.3Å; M247-F254 HydrophobicContact SD-CE2 4.46Å; I250-F254 HydrophobicContact CD1-CD2 4.44Å; I250-F254 HydrophobicContact CD1-CE2 3.56Å; I250-F254 HydrophobicContact CD1-CZ 4.32Å; I250-F254 HydrophobicContact CG1-CD2 4.14Å; I250-F254 HydrophobicContact CG1-CE2 3.72Å; I251-F254 PolarHBondContact O-N 3.46Å; D252-F254 VanDerWaalsContact C-N 3.29Å; D252-F254 PolarHBondContact O-N 3.38Å; F254-K256 PolarHBondContact O-N 3.09Å; F254-F300 HydrophobicContact CD1-CE2 4.3Å; F254-F300 AromaticContact CD1-CZ 3.79Å; F254-F300 HydrophobicContact CD1-CZ 3.79Å; F254-F300 HydrophobicContact CE1-CE2 4.5Å; F254-F300 AromaticContact CE1-CZ 3.95Å; F254-F300 HydrophobicContact CE1-CZ 3.95Å
255I61.4Low63.8Low41 Ų4160.9 Ų60.921%0.2132%0.316CS..  trans-84.7103.3-178.4-66.1171.2000108.9V206 I251 T257 L258V206-I255 HydrophobicContact CG2-CD1 3.96Å; V206-I255 HydrophobicContact CG2-CG1 3.81Å; I251-I255 HydrophobicContact CG1-CD1 4.21Å; I251-I255 PolarHBondContact O-N 3.25Å; I255-T257 WeakPolarHBondContact CG2-OG1 3.4Å; I255-T257 PolarHBondContact O-N 3.12Å; I255-L258 HydrophobicContact CB-CD1 4.12Å; I255-L258 HydrophobicContact CB-CG 4.32Å; I255-L258 HydrophobicContact CD1-CD1 4.35Å; I255-L258 HydrophobicContact CG2-CB 4.45Å; I255-L258 HydrophobicContact CG2-CD1 4.19Å; I255-L258 HydrophobicContact CG2-CG 3.99Å; I255-L258 WeakPolarHBondContact O-CB 3.5Å; I255-L258 PolarHBondContact O-N 3.21Å
256K54.7Low62.5Low177 Ų17763.1 Ų63.177%0.7733%0.325SS*.G310 helixtrans-51.3-30.1177.3-77.3-178177.61760114.2F254 L258 D259F254-K256 PolarHBondContact O-N 3.09Å; K256-L258 PolarHBondContact O-N 3.03Å; K256-D259 WeakPolarHBondContact O-CB 3.39Å; K256-D259 PolarHBondContact O-N 2.94Å
257T46.2Very low61.6Low125 Ų12568.8 Ų68.877%0.76735%0.346SS*.G310 helixtrans-69.2-19.7178.347.70000112.8I255I255-T257 WeakPolarHBondContact CG2-OG1 3.4Å; I255-T257 PolarHBondContact O-N 3.12Å
258L49.1Very low60.6Low50 Ų5070.8 Ų70.826%0.26236%0.355SS..G310 helixtrans-91.7-2.8175.2-66.5175.9000113.3D252 I255 K256 R260 S261 G264D252-L258 HydrophobicContact CB-CD1 3.92Å; I255-L258 HydrophobicContact CB-CD1 4.12Å; I255-L258 HydrophobicContact CB-CG 4.32Å; I255-L258 HydrophobicContact CD1-CD1 4.35Å; I255-L258 HydrophobicContact CG2-CB 4.45Å; I255-L258 HydrophobicContact CG2-CD1 4.19Å; I255-L258 HydrophobicContact CG2-CG 3.99Å; I255-L258 WeakPolarHBondContact O-CB 3.5Å; I255-L258 PolarHBondContact O-N 3.21Å; K256-L258 PolarHBondContact O-N 3.03Å; L258-R260 PolarHBondContact O-N 3.3Å; L258-R260 VanDerWaalsContact O-N 3.11Å; L258-S261 WeakPolarHBondContact O-CA 3.43Å; L258-S261 VanDerWaalsContact O-CB 3.25Å; L258-S261 WeakPolarHBondContact O-CB 3.47Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 3.13Å; L258-G264 WeakPolarHBondContact O-CA 3.14Å
259D52.5Low60Low45 Ų4567.3 Ų67.324%0.24133%0.331CS..THydrogen-bonded Turntrans-55.9-31.6177.9-76.7-23.1000112.4K256 I265 E266K256-D259 WeakPolarHBondContact O-CB 3.39Å; K256-D259 PolarHBondContact O-N 2.94Å; D259-I265 VanDerWaalsContact OD1-CD1 3.22Å; D259-I265 WeakPolarHBondContact OD1-CD1 3.15Å; D259-E266 WeakPolarHBondContact O-CB 3.38Å; D259-E266 VanDerWaalsContact O-CG 3.28Å; D259-E266 WeakPolarHBondContact O-CG 3.35Å
260R46.4Very low59.8Low227 Ų22769 Ų6986%0.85734%0.342SS*.THydrogen-bonded Turntrans-94.65.3176.7-59.9-175.9-177.3-176.90.7114.1L258L258-R260 PolarHBondContact O-N 3.3Å; L258-R260 VanDerWaalsContact O-N 3.11Å
261S50.9Low59.9Low35 Ų3571.9 Ų71.925%0.24536%0.355CS..SBendtrans-89.7162.7-17781.40000112L258 V263 G264L258-S261 WeakPolarHBondContact O-CA 3.43Å; L258-S261 VanDerWaalsContact O-CB 3.25Å; L258-S261 WeakPolarHBondContact O-CB 3.47Å; L258-S261 PolarHBondContact O-N 3.16Å; L258-S261 PolarHBondContact O-OG 3.13Å; S261-V263 PolarHBondContact O-N 3.38Å; S261-V263 PolarHBondContact OG-N 3.03Å; S261-G264 PolarHBondContact O-N 2.95Å; S261-G264 PolarHBondContact OG-N 3.3Å
262T46Very low60Low111 Ų11170.1 Ų70.168%0.68135%0.346SS*.THydrogen-bonded Turntrans-64.5-1.2177.451.90000114.5R267T262-R267 WeakPolarHBondContact O-CD 3.38Å; T262-R267 PolarHBondContact O-NH1 3.3Å
263V50.8Low60.4Low82 Ų8268.4 Ų68.450%0.49733%0.334SS..THydrogen-bonded Turntrans-126.7-6.4-177-154.40000112.2S261S261-V263 PolarHBondContact O-N 3.38Å; S261-V263 PolarHBondContact OG-N 3.03Å
264G57.9Low61.3Low0 Ų070.2 Ų70.20%035%0.353CS..SBendtrans-81.9-171.2-17100000116.1L258 S261 E266 R267 Q268L258-G264 WeakPolarHBondContact O-CA 3.14Å; S261-G264 PolarHBondContact O-N 2.95Å; S261-G264 PolarHBondContact OG-N 3.3Å; G264-E266 VanDerWaalsContact C-N 3.29Å; G264-E266 PolarHBondContact O-N 3.37Å; G264-R267 PolarHBondContact O-N 3.41Å; G264-R267 VanDerWaalsContact O-N 3.08Å; G264-Q268 PolarHBondContact O-N 3.41Å
265I59.9Low62.2Low14 Ų1470.9 Ų70.97%0.07236%0.357CS..Hα-helixtrans-54.8-41.2-177.7-65.7176.2000112.3N253 D259 R267 Q268 M269 A299 F300N253-I265 WeakPolarHBondContact O-CD1 3.37Å; N253-I265 WeakPolarHBondContact O-CG1 3.36Å; D259-I265 VanDerWaalsContact OD1-CD1 3.22Å; D259-I265 WeakPolarHBondContact OD1-CD1 3.15Å; I265-R267 VanDerWaalsContact C-N 3.3Å; I265-R267 PolarHBondContact O-N 3.45Å; I265-Q268 PolarHBondContact O-N 3.38Å; I265-M269 HydrophobicContact CG2-CG 4.45Å; I265-M269 VanDerWaalsContact O-CG 3.32Å; I265-M269 WeakPolarHBondContact O-CG 3.4Å; I265-M269 PolarHBondContact O-N 3.38Å; I265-A299 HydrophobicContact CG2-CB 3.25Å; I265-F300 HydrophobicContact CD1-CD2 3.74Å; I265-F300 HydrophobicContact CD1-CE2 3.82Å
266E61.7Low63.1Low92 Ų9269 Ų6943%0.4335%0.347SS..Hα-helixtrans-61.5-36.7179.5-74.7-174171.300112.4D259 G264 M269 N270D259-E266 WeakPolarHBondContact O-CB 3.38Å; D259-E266 VanDerWaalsContact O-CG 3.28Å; D259-E266 WeakPolarHBondContact O-CG 3.35Å; G264-E266 VanDerWaalsContact C-N 3.29Å; G264-E266 PolarHBondContact O-N 3.37Å; E266-M269 PolarHBondContact O-N 2.89Å; E266-N270 PolarHBondContact O-N 3.37Å; E266-N270 PolarHBondContact O-ND2 3.1Å
267R67.6Low64.5Low125 Ų12565 Ų6547%0.47233%0.332SS..Hα-helixtrans-69.2-45.9176.7178.4176.4174.1-176.10.2111.6T262 G264 I265 M269 N270 Q271T262-R267 WeakPolarHBondContact O-CD 3.38Å; T262-R267 PolarHBondContact O-NH1 3.3Å; G264-R267 PolarHBondContact O-N 3.41Å; G264-R267 VanDerWaalsContact O-N 3.08Å; I265-R267 VanDerWaalsContact C-N 3.3Å; I265-R267 PolarHBondContact O-N 3.45Å; R267-M269 PolarHBondContact O-N 3.03Å; R267-N270 PolarHBondContact O-N 2.67Å; R267-Q271 HydrophobicContact CG-CG 4.46Å; R267-Q271 WeakPolarHBondContact O-CG 3.38Å; R267-Q271 PolarHBondContact O-N 3.02Å
268Q66.1Low66.3Low42 Ų4269.2 Ų69.220%0.19633%0.333CS..Hα-helixtrans-56-39175.6-80.1-174.9-0.800110.8N253 G264 I265 Q271 L272 L337N253-Q268 PolarHBondContact OD1-NE2 3.08Å; G264-Q268 PolarHBondContact O-N 3.41Å; I265-Q268 PolarHBondContact O-N 3.38Å; Q268-Q271 WeakPolarHBondContact O-CB 3.48Å; Q268-Q271 PolarHBondContact O-N 3.46Å; Q268-L272 PolarHBondContact O-N 3.24Å; Q268-L337 HydrophobicContact CB-CD2 4.08Å; Q268-L337 WeakPolarHBondContact O-CD2 3.4Å
269M69.5Low67.9Low2 Ų269.3 Ų69.31%0.0134%0.336CS..Hα-helixtrans-68.4-45.1175.5-72-66.8101.400113.5I265 E266 R267 Q271 L272 Y273 P295 F298 A299I265-M269 HydrophobicContact CG2-CG 4.45Å; I265-M269 VanDerWaalsContact O-CG 3.32Å; I265-M269 WeakPolarHBondContact O-CG 3.4Å; I265-M269 PolarHBondContact O-N 3.38Å; E266-M269 PolarHBondContact O-N 2.89Å; R267-M269 PolarHBondContact O-N 3.03Å; M269-Q271 PolarHBondContact O-N 3.33Å; M269-L272 HydrophobicContact CE-CB 4.24Å; M269-L272 HydrophobicContact CE-CD2 3.68Å; M269-L272 WeakPolarHBondContact O-CB 3.34Å; M269-L272 PolarHBondContact O-N 2.89Å; M269-L272 VanDerWaalsContact O-N 3.07Å; M269-L272 HydrophobicContact SD-CD2 4.23Å; M269-Y273 WeakPolarHBondContact O-CD2 3.38Å; M269-Y273 PolarHBondContact O-N 3.29Å; M269-P295 HydrophobicContact CB-CB 3.36Å; M269-P295 HydrophobicContact CB-CG 4.44Å; M269-P295 HydrophobicContact CG-CB 3.47Å; M269-P295 VanDerWaalsContact CG-CB 3.47Å; M269-P295 WeakPolarHBondContact CG-O 3.5Å; M269-P295 HydrophobicContact SD-CB 4.08Å; M269-F298 HydrophobicContact SD-CB 4.17Å; M269-A299 HydrophobicContact CE-CB 3.37Å; M269-A299 HydrophobicContact CG-CB 3.59Å; M269-A299 HydrophobicContact SD-CB 3.57Å; M269-A299 VanDerWaalsContact SD-CB 3.57Å; M269-A299 PolarHBondContact SD-N 3.01Å
270N75Confident69.2Low105 Ų10567.7 Ų67.756%0.56133%0.327SS*.Hα-helixtrans-60.2-36.4175-70.1-27.2000111.4E266 R267 A274E266-N270 PolarHBondContact O-N 3.37Å; E266-N270 PolarHBondContact O-ND2 3.1Å; R267-N270 PolarHBondContact O-N 2.67Å; N270-A274 VanDerWaalsContact O-CB 3.28Å; N270-A274 WeakPolarHBondContact O-CB 3.43Å; N270-A274 PolarHBondContact O-N 2.84Å
271Q77.2Confident70.9Confident77 Ų7760 Ų6036%0.3631%0.307SS..Hα-helixtrans-65.1-44172.7-72.5175.4-31.100111.9R267 Q268 M269 A274 L275 L337R267-Q271 HydrophobicContact CG-CG 4.46Å; R267-Q271 WeakPolarHBondContact O-CG 3.38Å; R267-Q271 PolarHBondContact O-N 3.02Å; Q268-Q271 WeakPolarHBondContact O-CB 3.48Å; Q268-Q271 PolarHBondContact O-N 3.46Å; M269-Q271 PolarHBondContact O-N 3.33Å; Q271-A274 PolarHBondContact O-N 3.25Å; Q271-L275 WeakPolarHBondContact O-CB 3.35Å; Q271-L275 VanDerWaalsContact O-CG 3.31Å; Q271-L275 WeakPolarHBondContact O-CG 3.47Å; Q271-L275 PolarHBondContact O-N 3.11Å; Q271-L337 HydrophobicContact CB-CD1 3.85Å
272L75.2Confident72.4Confident4 Ų460.8 Ų60.82%0.02132%0.316CS..Hα-helixtrans-60.4-46.9175.2-178.162.4000111.5Q268 M269 L275 L276 F298 L337 A340 L341 L344Q268-L272 PolarHBondContact O-N 3.24Å; M269-L272 HydrophobicContact CE-CB 4.24Å; M269-L272 HydrophobicContact CE-CD2 3.68Å; M269-L272 WeakPolarHBondContact O-CB 3.34Å; M269-L272 PolarHBondContact O-N 2.89Å; M269-L272 VanDerWaalsContact O-N 3.07Å; M269-L272 HydrophobicContact SD-CD2 4.23Å; L272-L275 PolarHBondContact O-N 2.93Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.76Å; L272-F298 HydrophobicContact CD2-CD1 3.64Å; L272-F298 HydrophobicContact CD2-CE1 3.86Å; L272-L337 HydrophobicContact CB-CD2 4.28Å; L272-L337 WeakPolarHBondContact CD1-O 3.45Å; L272-A340 HydrophobicContact CD1-CB 4.03Å; L272-A340 HydrophobicContact CD2-CB 4.21Å; L272-L341 HydrophobicContact CD1-CB 3.91Å; L272-L344 HydrophobicContact CD1-CD1 4.45Å; L272-L344 HydrophobicContact CD2-CD1 4.15Å; L272-L344 HydrophobicContact CG-CD1 4.38Å
273Y76.3Confident73.9Confident36 Ų3655.5 Ų55.514%0.14128%0.283CS..Hα-helixtrans-64.3-39.4177.8-89-78.4000112.3M269 L275 L276 H277 Y284 M287 L293 P295M269-Y273 WeakPolarHBondContact O-CD2 3.38Å; M269-Y273 PolarHBondContact O-N 3.29Å; Y273-L275 VanDerWaalsContact C-N 3.34Å; Y273-L276 PolarHBondContact O-N 2.86Å; Y273-H277 WeakPolarHBondContact O-CB 3.28Å; Y273-H277 PolarHBondContact O-N 3.34Å; Y273-Y284 AromaticContact CD1-CD2 3.8Å; Y273-Y284 HydrophobicContact CD1-CD2 3.8Å; Y273-Y284 AromaticContact CD1-CE2 3.7Å; Y273-Y284 HydrophobicContact CD1-CE2 3.7Å; Y273-Y284 HydrophobicContact CG-CE2 4.38Å; Y273-M287 HydrophobicContact CE1-CB 4.24Å; Y273-L293 PolarHBondContact OH-O 3.23Å; Y273-P295 HydrophobicContact CE2-CB 4.24Å
274A82.5Confident75.2Confident65 Ų6554.9 Ų54.954%0.53727%0.272SS..Hα-helixtrans-64-40.2174.500000112N270 Q271 R278N270-A274 VanDerWaalsContact O-CB 3.28Å; N270-A274 WeakPolarHBondContact O-CB 3.43Å; N270-A274 PolarHBondContact O-N 2.84Å; Q271-A274 PolarHBondContact O-N 3.25Å; A274-R278 PolarHBondContact O-N 3.04Å
275L79.8Confident76.2Confident33 Ų3358.7 Ų58.717%0.17329%0.293CS..Hα-helixtrans-66.6-42.1173.6-72.7169.2000111.6Q271 L272 Y273 R278 V279 L337 Y338 L341Q271-L275 WeakPolarHBondContact O-CB 3.35Å; Q271-L275 VanDerWaalsContact O-CG 3.31Å; Q271-L275 WeakPolarHBondContact O-CG 3.47Å; Q271-L275 PolarHBondContact O-N 3.11Å; L272-L275 PolarHBondContact O-N 2.93Å; Y273-L275 VanDerWaalsContact C-N 3.34Å; L275-R278 WeakPolarHBondContact O-CB 3.15Å; L275-R278 PolarHBondContact O-N 3.01Å; L275-V279 WeakPolarHBondContact O-CB 3.16Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 3.31Å; L275-L337 HydrophobicContact CD1-CB 4.31Å; L275-Y338 HydrophobicContact CD1-CD1 4.49Å; L275-Y338 HydrophobicContact CD1-CE1 4.15Å; L275-Y338 HydrophobicContact CD2-CE1 4.01Å; L275-L341 HydrophobicContact CB-CD2 3.93Å
276L79.9Confident76.8Confident1 Ų158.9 Ų58.91%0.00529%0.293CS..Hα-helixtrans-61.7-47.2177.2-176.967.7000111.5L272 Y273 R278 V279 D280 L283 M287 L341 L344L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 PolarHBondContact O-N 2.76Å; Y273-L276 PolarHBondContact O-N 2.86Å; L276-R278 PolarHBondContact O-N 3.33Å; L276-V279 PolarHBondContact O-N 3.22Å; L276-D280 CarbonylContact O-C 3.56Å; L276-D280 PolarHBondContact O-N 2.83Å; L276-L283 HydrophobicContact CD1-CB 4.42Å; L276-L283 HydrophobicContact CD1-CD2 3.89Å; L276-L283 HydrophobicContact CD1-CG 4.18Å; L276-M287 HydrophobicContact CD2-SD 3.58Å; L276-M287 VanDerWaalsContact CD2-SD 3.58Å; L276-L341 HydrophobicContact CB-CD1 3.85Å; L276-L341 HydrophobicContact CD1-CD1 3.62Å; L276-L341 HydrophobicContact CG-CD1 4.37Å; L276-L344 HydrophobicContact CD1-CD1 4.49Å; L276-L344 HydrophobicContact CD2-CD1 4.4Å
277H84.1Confident77.2Confident94 Ų9455 Ų5544%0.43528%0.275SS..Hα-helixtrans-58.7-36.3175.7-177.6-91.4000112Y273 P281 Y284Y273-H277 WeakPolarHBondContact O-CB 3.28Å; Y273-H277 PolarHBondContact O-N 3.34Å; H277-P281 WeakPolarHBondContact O-CG 3.47Å; H277-Y284 HydrophobicContact CB-CD1 4.32Å; H277-Y284 HydrophobicContact CB-CD2 3.67Å; H277-Y284 HydrophobicContact CB-CE2 4.06Å; H277-Y284 HydrophobicContact CB-CG 3.8Å; H277-Y284 AromaticContact CD2-CD1 3.45Å; H277-Y284 VanDerWaalsContact CD2-CD1 3.45Å; H277-Y284 WeakPolarHBondContact CD2-CD1 3.16Å; H277-Y284 AromaticContact CD2-CE1 3.66Å; H277-Y284 AromaticContact CD2-CG 3.81Å
278R84.6Confident77.4Confident213 Ų21351.6 Ų51.680%0.80427%0.273SS*.Hα-helixtrans-72.3-36.9178.4-173.9177.6176.9-175.8-1.7112.9A274 L275 L276A274-R278 PolarHBondContact O-N 3.04Å; L275-R278 WeakPolarHBondContact O-CB 3.15Å; L275-R278 PolarHBondContact O-N 3.01Å; L276-R278 PolarHBondContact O-N 3.33Å
279V82.1Confident77.4Confident53 Ų5355.7 Ų55.732%0.32130%0.296SS..Hα-helixtrans-86.7-44.2-175.2164.60000112.2F14 L275 L276 L341 V345F14-V279 HydrophobicContact CD1-CB 4.4Å; F14-V279 HydrophobicContact CD1-CG1 3.67Å; F14-V279 HydrophobicContact CD1-CG2 3.77Å; F14-V279 HydrophobicContact CE1-CB 4.27Å; F14-V279 HydrophobicContact CE1-CG1 3.14Å; F14-V279 HydrophobicContact CE1-CG2 4.13Å; F14-V279 HydrophobicContact CZ-CG1 3.67Å; L275-V279 WeakPolarHBondContact O-CB 3.16Å; L275-V279 WeakPolarHBondContact O-CG2 3.47Å; L275-V279 PolarHBondContact O-N 3.31Å; L276-V279 PolarHBondContact O-N 3.22Å; V279-L341 HydrophobicContact CB-CD2 4.36Å; V279-L341 HydrophobicContact CG2-CD2 3.86Å; V279-V345 HydrophobicContact CG1-CG2 4.14Å
280D80.2Confident76.9Confident10 Ų1059.6 Ų59.65%0.05332%0.32CS..  trans-145.583.6-174.6-166.6-7.1000111L276 A282 L283 Y284 R348L276-D280 CarbonylContact O-C 3.56Å; L276-D280 PolarHBondContact O-N 2.83Å; D280-A282 PolarHBondContact O-N 3.43Å; D280-L283 HydrophobicContact CB-CB 4.04Å; D280-L283 PolarHBondContact O-N 2.91Å; D280-L283 PolarHBondContact OD1-N 3.06Å; D280-L283 WeakPolarHBondContact OD2-CB 3.3Å; D280-Y284 PolarHBondContact O-N 3.22Å; D280-R348 IonicContact OD1-CZ 3.49Å; D280-R348 IonicContact OD1-NH1 3.27Å; D280-R348 PolarHBondContact OD1-NH1 3.13Å; D280-R348 IonicContact OD1-NH2 3.54Å; D280-R348 VanDerWaalsContact OD2-CD 3.29Å; D280-R348 WeakPolarHBondContact OD2-CD 2.96Å; D280-R348 IonicContact OD2-CZ 3.58Å; D280-R348 IonicContact OD2-NE 3.75Å; D280-R348 IonicContact OD2-NH1 3.05Å; D280-R348 PolarHBondContact OD2-NH1 3.29Å
281P82.3Confident76Confident66 Ų6658 Ų5843%0.42931%0.31SS..Hα-helixtrans-58.2-34.7-178.4-2028.1000112.9H277 Y284 D285H277-P281 WeakPolarHBondContact O-CG 3.47Å; P281-Y284 WeakPolarHBondContact O-CB 3.45Å; P281-Y284 PolarHBondContact O-N 3.47Å; P281-D285 PolarHBondContact O-N 3.17Å
282A81.7Confident74.7Confident52 Ų5263.3 Ų63.343%0.4333%0.334SS..Hα-helixtrans-67.7-39.6-179.300000112D280 F286D280-A282 PolarHBondContact O-N 3.43Å; A282-F286 WeakPolarHBondContact O-CB 3.28Å; A282-F286 PolarHBondContact O-N 3.4Å; A282-F286 VanDerWaalsContact O-N 3.09Å
283L77.5Confident73.4Confident0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-71-37.1175-175.559.7000111.3L276 D280 F286 M287 L344 R348L276-L283 HydrophobicContact CD1-CB 4.42Å; L276-L283 HydrophobicContact CD1-CD2 3.89Å; L276-L283 HydrophobicContact CD1-CG 4.18Å; D280-L283 HydrophobicContact CB-CB 4.04Å; D280-L283 PolarHBondContact O-N 2.91Å; D280-L283 PolarHBondContact OD1-N 3.06Å; D280-L283 WeakPolarHBondContact OD2-CB 3.3Å; L283-F286 HydrophobicContact CD1-CD1 4.13Å; L283-F286 PolarHBondContact O-N 3.01Å; L283-M287 HydrophobicContact CG-SD 4.46Å; L283-M287 WeakPolarHBondContact O-CG 2.96Å; L283-M287 PolarHBondContact O-N 2.65Å; L283-L344 HydrophobicContact CD2-CB 4.36Å; L283-L344 WeakPolarHBondContact CD2-O 3.42Å; L283-R348 HydrophobicContact CD2-CB 4.25Å; L283-R348 HydrophobicContact CD2-CG 4.45Å
284Y78.6Confident71.8Confident69 Ų6969.3 Ų69.327%0.27136%0.36SS..Hα-helixtrans-59.1-51.5172.3172.4-87.2000111.7Y273 H277 D280 P281 F286 M287 A288Y273-Y284 AromaticContact CD1-CD2 3.8Å; Y273-Y284 HydrophobicContact CD1-CD2 3.8Å; Y273-Y284 AromaticContact CD1-CE2 3.7Å; Y273-Y284 HydrophobicContact CD1-CE2 3.7Å; Y273-Y284 HydrophobicContact CG-CE2 4.38Å; H277-Y284 HydrophobicContact CB-CD1 4.32Å; H277-Y284 HydrophobicContact CB-CD2 3.67Å; H277-Y284 HydrophobicContact CB-CE2 4.06Å; H277-Y284 HydrophobicContact CB-CG 3.8Å; H277-Y284 AromaticContact CD2-CD1 3.45Å; H277-Y284 VanDerWaalsContact CD2-CD1 3.45Å; H277-Y284 WeakPolarHBondContact CD2-CD1 3.16Å; H277-Y284 AromaticContact CD2-CE1 3.66Å; H277-Y284 AromaticContact CD2-CG 3.81Å; D280-Y284 PolarHBondContact O-N 3.22Å; P281-Y284 WeakPolarHBondContact O-CB 3.45Å; P281-Y284 PolarHBondContact O-N 3.47Å; Y284-F286 VanDerWaalsContact C-N 3.25Å; Y284-F286 PolarHBondContact O-N 3.21Å; Y284-M287 CarbonylContact O-C 3.49Å; Y284-M287 PolarHBondContact O-N 3.21Å; Y284-M287 VanDerWaalsContact O-N 3.13Å; Y284-A288 HydrophobicContact CE1-CB 4.2Å; Y284-A288 VanDerWaalsContact O-CB 3.31Å; Y284-A288 WeakPolarHBondContact O-CB 3.4Å; Y284-A288 PolarHBondContact O-N 3.09Å
285D78.7Confident69.9Low80 Ų8068.1 Ų68.143%0.42835%0.347SS..Hα-helixtrans-61.8-37.1-179.5-75.9-24000111.1P281 A288 N289P281-D285 PolarHBondContact O-N 3.17Å; D285-A288 PolarHBondContact O-N 3.32Å; D285-N289 WeakPolarHBondContact O-CB 3.22Å; D285-N289 VanDerWaalsContact O-CG 3.29Å; D285-N289 PolarHBondContact O-N 3.18Å; D285-N289 PolarHBondContact O-ND2 3.47Å
286F73Confident67.9Low18 Ų1871.3 Ų71.38%0.07936%0.361CS..Hα-helixtrans-61.3-50173170-101.7000111.9A282 L283 Y284 A288 N289 V290 L352 L355A282-F286 WeakPolarHBondContact O-CB 3.28Å; A282-F286 PolarHBondContact O-N 3.4Å; A282-F286 VanDerWaalsContact O-N 3.09Å; L283-F286 HydrophobicContact CD1-CD1 4.13Å; L283-F286 PolarHBondContact O-N 3.01Å; Y284-F286 VanDerWaalsContact C-N 3.25Å; Y284-F286 PolarHBondContact O-N 3.21Å; F286-A288 VanDerWaalsContact C-N 3.3Å; F286-A288 PolarHBondContact O-N 2.87Å; F286-N289 PolarHBondContact O-N 3.02Å; F286-V290 HydrophobicContact CD2-CB 3.82Å; F286-V290 HydrophobicContact CD2-CG1 4.27Å; F286-V290 HydrophobicContact CD2-CG2 3.73Å; F286-V290 HydrophobicContact CE2-CB 3.75Å; F286-V290 HydrophobicContact CE2-CG1 3.74Å; F286-V290 HydrophobicContact CE2-CG2 4.07Å; F286-V290 HydrophobicContact CZ-CG1 4.49Å; F286-V290 WeakPolarHBondContact O-CB 3.25Å; F286-V290 PolarHBondContact O-N 3.47Å; F286-L352 HydrophobicContact CG-CD2 4.43Å; F286-L355 HydrophobicContact CD2-CD1 3.75Å; F286-L355 HydrophobicContact CE2-CB 4.44Å; F286-L355 HydrophobicContact CE2-CD1 3.39Å
287M69.4Low66Low11 Ų1177.8 Ų77.85%0.05439%0.386CS..Hα-helixtrans-70-25.2179.7-71.2-176.579.500113.3Y273 L276 L283 Y284 L293 L344Y273-M287 HydrophobicContact CE1-CB 4.24Å; L276-M287 HydrophobicContact CD2-SD 3.58Å; L276-M287 VanDerWaalsContact CD2-SD 3.58Å; L283-M287 HydrophobicContact CG-SD 4.46Å; L283-M287 WeakPolarHBondContact O-CG 2.96Å; L283-M287 PolarHBondContact O-N 2.65Å; Y284-M287 CarbonylContact O-C 3.49Å; Y284-M287 PolarHBondContact O-N 3.21Å; Y284-M287 VanDerWaalsContact O-N 3.13Å; M287-L293 HydrophobicContact CE-CD1 4.01Å; M287-L344 HydrophobicContact CE-CD1 4.41Å; M287-L344 HydrophobicContact CE-CD2 3.73Å; M287-L344 HydrophobicContact SD-CD1 4.33Å; M287-L344 HydrophobicContact SD-CD2 3.85Å
288A71.2Confident64.1Low52 Ų5274.5 Ų74.543%0.4337%0.37SS..Hα-helixtrans-81.4-3617700000112.1Y284 D285 F286Y284-A288 HydrophobicContact CE1-CB 4.2Å; Y284-A288 VanDerWaalsContact O-CB 3.31Å; Y284-A288 WeakPolarHBondContact O-CB 3.4Å; Y284-A288 PolarHBondContact O-N 3.09Å; D285-A288 PolarHBondContact O-N 3.32Å; F286-A288 VanDerWaalsContact C-N 3.3Å; F286-A288 PolarHBondContact O-N 2.87Å
289N66.6Low61.9Low128 Ų12865 Ų6568%0.68434%0.338SS*.Hα-helixtrans-102.1-30.9-170.8-63.8-53.7000114.7D285 F286D285-N289 WeakPolarHBondContact O-CB 3.22Å; D285-N289 VanDerWaalsContact O-CG 3.29Å; D285-N289 PolarHBondContact O-N 3.18Å; D285-N289 PolarHBondContact O-ND2 3.47Å; F286-N289 PolarHBondContact O-N 3.02Å
290V60Low60Low84 Ų8465.8 Ų65.851%0.50934%0.337SS..THydrogen-bonded Turntrans-103.8-36.4-168.3-176.70000112.9F286 L355F286-V290 HydrophobicContact CD2-CB 3.82Å; F286-V290 HydrophobicContact CD2-CG1 4.27Å; F286-V290 HydrophobicContact CD2-CG2 3.73Å; F286-V290 HydrophobicContact CE2-CB 3.75Å; F286-V290 HydrophobicContact CE2-CG1 3.74Å; F286-V290 HydrophobicContact CE2-CG2 4.07Å; F286-V290 HydrophobicContact CZ-CG1 4.49Å; F286-V290 WeakPolarHBondContact O-CB 3.25Å; F286-V290 PolarHBondContact O-N 3.47Å; V290-L355 HydrophobicContact CG1-CD1 4.01Å; V290-L355 HydrophobicContact CG2-CD1 4.19Å
291Q55.3Low58.3Low72 Ų7272.5 Ų72.534%0.33636%0.362SS..  trans-115.8117.1173.5-70.8-168.2-39.700107.5L293Q291-L293 HydrophobicContact CB-CB 4.39Å; Q291-L293 HydrophobicContact CB-CD1 3.84Å; Q291-L293 HydrophobicContact CB-CG 4.03Å; Q291-L293 PolarHBondContact O-N 2.8Å
292E49.7Very low56.5Low189 Ų18970.2 Ų70.288%0.88335%0.347SS*.  trans-65.457.8161.3-69.5-173.8166.700109.8R294E292-R294 PolarHBondContact O-N 3.28Å
293L47.4Very low55Low48 Ų4868.9 Ų68.925%0.25133%0.334SS..  trans-68.386.4172.3-99.1158.5000105.8Y273 M287 Q291 P295Y273-L293 PolarHBondContact OH-O 3.23Å; M287-L293 HydrophobicContact CE-CD1 4.01Å; Q291-L293 HydrophobicContact CB-CB 4.39Å; Q291-L293 HydrophobicContact CB-CD1 3.84Å; Q291-L293 HydrophobicContact CB-CG 4.03Å; Q291-L293 PolarHBondContact O-N 2.8Å; L293-P295 WeakPolarHBondContact O-CD 3.46Å; L293-P295 VanDerWaalsContact O-N 3.14Å
294R42.9Very low53.8Low118 Ų11869.1 Ų69.145%0.44534%0.336SS..  trans-55.9124.5174.3-72-166.3-75.7141.8-11.3106.8E292 Q296 Y297E292-R294 PolarHBondContact O-N 3.28Å; R294-Q296 HydrophobicContact CB-CG 3.64Å; R294-Q296 VanDerWaalsContact NH1-NE2 3.18Å; R294-Q296 PolarHBondContact O-N 3.3Å; R294-Y297 HydrophobicContact CB-CD2 3.97Å; R294-Y297 HydrophobicContact CB-CE2 4.05Å; R294-Y297 PolarHBondContact NH2-OH 3.43Å; R294-Y297 VanDerWaalsContact NH2-OH 3.13Å; R294-Y297 WeakPolarHBondContact O-CD2 3.37Å; R294-Y297 PolarHBondContact O-N 2.94Å
295P42.4Very low52.4Low40 Ų4065.9 Ų65.926%0.2632%0.323SS..THydrogen-bonded Turntrans-52.6-30.2-169.64.7-19.4000114.3M269 Y273 L293 Y297 F298 A299M269-P295 HydrophobicContact CB-CB 3.36Å; M269-P295 HydrophobicContact CB-CG 4.44Å; M269-P295 HydrophobicContact CG-CB 3.47Å; M269-P295 VanDerWaalsContact CG-CB 3.47Å; M269-P295 WeakPolarHBondContact CG-O 3.5Å; M269-P295 HydrophobicContact SD-CB 4.08Å; Y273-P295 HydrophobicContact CE2-CB 4.24Å; L293-P295 WeakPolarHBondContact O-CD 3.46Å; L293-P295 VanDerWaalsContact O-N 3.14Å; P295-Y297 PolarHBondContact O-N 3.36Å; P295-Y297 VanDerWaalsContact O-N 3.13Å; P295-F298 PolarHBondContact O-N 2.87Å; P295-A299 PolarHBondContact O-N 2.93Å; P295-A299 VanDerWaalsContact O-N 3.16Å
296Q38.1Very low50.8Low100 Ų10063.1 Ų63.147%0.46731%0.31SS..Hα-helixtrans-50.5-26.7171.135.7-167.3-37.300115.6R294R294-Q296 HydrophobicContact CB-CG 3.64Å; R294-Q296 VanDerWaalsContact NH1-NE2 3.18Å; R294-Q296 PolarHBondContact O-N 3.3Å
297Y41Very low49.6Very low136 Ų13662.9 Ų62.953%0.53331%0.309SS..Hα-helixtrans-83.5-25.4176.4-66.9-68000114R294 P295R294-Y297 HydrophobicContact CB-CD2 3.97Å; R294-Y297 HydrophobicContact CB-CE2 4.05Å; R294-Y297 PolarHBondContact NH2-OH 3.43Å; R294-Y297 VanDerWaalsContact NH2-OH 3.13Å; R294-Y297 WeakPolarHBondContact O-CD2 3.37Å; R294-Y297 PolarHBondContact O-N 2.94Å; P295-Y297 PolarHBondContact O-N 3.36Å; P295-Y297 VanDerWaalsContact O-N 3.13Å
298F42.6Very low48.7Very low25 Ų2562.4 Ų62.411%0.1131%0.308CS..Hα-helixtrans-91.8-42.3-175.3-156.7-97.8000111.5M269 L272 P295 F300 R301 C302 L307 A340 L344M269-F298 HydrophobicContact SD-CB 4.17Å; L272-F298 HydrophobicContact CD2-CD1 3.64Å; L272-F298 HydrophobicContact CD2-CE1 3.86Å; P295-F298 PolarHBondContact O-N 2.87Å; F298-F300 VanDerWaalsContact C-N 3.28Å; F298-F300 PolarHBondContact O-N 2.58Å; F298-R301 CarbonylContact O-C 3.58Å; F298-R301 PolarHBondContact O-N 3.46Å; F298-C302 WeakPolarHBondContact CD1-SG 3.25Å; F298-C302 WeakPolarHBondContact CE1-SG 3.48Å; F298-C302 PolarHBondContact O-N 2.98Å; F298-C302 PolarHBondContact O-SG 2.67Å; F298-L307 HydrophobicContact CZ-CD1 4.39Å; F298-A340 HydrophobicContact CE1-CB 4.27Å; F298-L344 HydrophobicContact CE1-CD1 3.8Å; F298-L344 HydrophobicContact CE1-CD2 3.97Å; F298-L344 HydrophobicContact CE1-CG 3.79Å; F298-L344 HydrophobicContact CE2-CD2 3.61Å; F298-L344 HydrophobicContact CE2-CG 4.3Å; F298-L344 HydrophobicContact CZ-CD1 4.01Å; F298-L344 HydrophobicContact CZ-CD2 3.3Å; F298-L344 HydrophobicContact CZ-CG 3.49Å; F298-L344 VanDerWaalsContact CZ-CG 3.49Å
299A40.1Very low47.6Very low14 Ų1462.8 Ų62.812%0.11631%0.307CS..Hα-helixtrans-58.7-39.2178.700000113.6I265 M269 P295 C302I265-A299 HydrophobicContact CG2-CB 3.25Å; M269-A299 HydrophobicContact CE-CB 3.37Å; M269-A299 HydrophobicContact CG-CB 3.59Å; M269-A299 HydrophobicContact SD-CB 3.57Å; M269-A299 VanDerWaalsContact SD-CB 3.57Å; M269-A299 PolarHBondContact SD-N 3.01Å; P295-A299 PolarHBondContact O-N 2.93Å; P295-A299 VanDerWaalsContact O-N 3.16Å; A299-C302 WeakPolarHBondContact O-CB 3.47Å; A299-C302 PolarHBondContact O-N 3.04Å
300F40.9Very low46.7Very low70 Ų7059.7 Ų59.731%0.30730%0.295SS..Hα-helixtrans-77.6-33-178.1-132.9-105.9000111.8V209 Q210 F254 I265 F298 C302 S303V209-F300 HydrophobicContact CG1-CE1 4.09Å; V209-F300 HydrophobicContact CG1-CZ 3.64Å; Q210-F300 WeakPolarHBondContact O-CE1 3.31Å; F254-F300 HydrophobicContact CD1-CE2 4.3Å; F254-F300 AromaticContact CD1-CZ 3.79Å; F254-F300 HydrophobicContact CD1-CZ 3.79Å; F254-F300 HydrophobicContact CE1-CE2 4.5Å; F254-F300 AromaticContact CE1-CZ 3.95Å; F254-F300 HydrophobicContact CE1-CZ 3.95Å; I265-F300 HydrophobicContact CD1-CD2 3.74Å; I265-F300 HydrophobicContact CD1-CE2 3.82Å; F298-F300 VanDerWaalsContact C-N 3.28Å; F298-F300 PolarHBondContact O-N 2.58Å; F300-C302 VanDerWaalsContact C-N 3.28Å; F300-S303 PolarHBondContact O-N 3.05Å; F300-S303 PolarHBondContact O-OG 3.13Å
301R45.3Very low46Very low151 Ų15156.4 Ų56.457%0.5728%0.275SS*.Hα-helixtrans-75.9-11.7169.6-95.8-167.7163.8-177.1-3.7113.9F298 S303 S306 L307F298-R301 CarbonylContact O-C 3.58Å; F298-R301 PolarHBondContact O-N 3.46Å; R301-S303 PolarHBondContact O-N 2.94Å; R301-S303 VanDerWaalsContact O-O 3.12Å; R301-S306 WeakPolarHBondContact O-CB 3.46Å; R301-L307 PolarHBondContact O-N 3.29Å
302C44.7Very low45.7Very low18 Ų1854 Ų5412%0.12227%0.269CS..THydrogen-bonded Turntrans-76.76.7170.5-72.10000113.5F298 A299 F300 V304 L307 A340F298-C302 WeakPolarHBondContact CD1-SG 3.25Å; F298-C302 WeakPolarHBondContact CE1-SG 3.48Å; F298-C302 PolarHBondContact O-N 2.98Å; F298-C302 PolarHBondContact O-SG 2.67Å; A299-C302 WeakPolarHBondContact O-CB 3.47Å; A299-C302 PolarHBondContact O-N 3.04Å; F300-C302 VanDerWaalsContact C-N 3.28Å; C302-V304 PolarHBondContact O-N 3.09Å; C302-L307 HydrophobicContact CB-CD1 4.17Å; C302-L307 VanDerWaalsContact SG-CD1 3.52Å; C302-A340 HydrophobicContact CB-CB 4.45Å; C302-A340 VanDerWaalsContact SG-CB 3.51Å
303S50.5Low45.8Very low24 Ų2445.5 Ų45.517%0.16823%0.23CC..SBendtrans-55.3108149.1-51.80000106.2F300 R301 S305 S306 L307F300-S303 PolarHBondContact O-N 3.05Å; F300-S303 PolarHBondContact O-OG 3.13Å; R301-S303 PolarHBondContact O-N 2.94Å; R301-S303 VanDerWaalsContact O-O 3.12Å; S303-S305 CarbonylContact O-C 3.51Å; S303-S305 PolarHBondContact O-N 2.81Å; S303-S306 PolarHBondContact O-N 3.1Å; S303-L307 PolarHBondContact O-N 3.04Å
304V50.9Low46.1Very low4 Ų449.8 Ų49.82%0.02425%0.247CC..Hα-helixtrans-35.3-31.5-177.3162.90000114.4C302 S308 V319 L322 L326 L336C302-V304 PolarHBondContact O-N 3.09Å; V304-S308 PolarHBondContact O-N 3.26Å; V304-S308 PolarHBondContact O-OG 3.25Å; V304-V319 HydrophobicContact CG1-CG1 4.41Å; V304-L322 HydrophobicContact CB-CD2 4.32Å; V304-L322 HydrophobicContact CG1-CB 4.28Å; V304-L322 HydrophobicContact CG1-CD2 3.39Å; V304-L322 HydrophobicContact CG1-CG 3.77Å; V304-L322 HydrophobicContact CG2-CD2 4.16Å; V304-L322 HydrophobicContact CG2-CG 4.38Å; V304-L326 HydrophobicContact CB-CD1 4.38Å; V304-L326 HydrophobicContact CG2-CD1 3.28Å; V304-L336 HydrophobicContact CG2-CD2 3.47Å; V304-L336 VanDerWaalsContact CG2-CD2 3.47Å
305S49.2Very low47.2Very low1 Ų147.8 Ų47.81%0.00725%0.245CC..Hα-helixtrans-70.7-45.6177.7-87.10000116R117 E214 S303 L307 S308 S309R117-S305 PolarHBondContact NH1-O 3.47Å; R117-S305 VanDerWaalsContact NH2-C 3.31Å; R117-S305 PolarHBondContact NH2-O 3.32Å; R117-S305 PolarHBondContact NH2-OG 3.37Å; E214-S305 PolarHBondContact O-OG 3.31Å; E214-S305 VanDerWaalsContact O-OG 3.08Å; E214-S305 VanDerWaalsContact OE2-CB 3.23Å; E214-S305 WeakPolarHBondContact OE2-CB 3.25Å; S303-S305 CarbonylContact O-C 3.51Å; S303-S305 PolarHBondContact O-N 2.81Å; S305-L307 VanDerWaalsContact C-N 3.25Å; S305-L307 PolarHBondContact O-N 3.46Å; S305-S308 WeakPolarHBondContact O-CB 3.27Å; S305-S308 PolarHBondContact O-N 3.28Å; S305-S309 PolarHBondContact O-N 3.44Å
306S46.6Very low48.4Very low22 Ų2246.7 Ų46.715%0.15424%0.237CC..Hα-helixtrans-61.9-35.7174.3-87.70000111.6E214 R301 S303 S309 S310E214-S306 PolarHBondContact OE1-OG 3.31Å; E214-S306 VanDerWaalsContact OE1-OG 3.04Å; E214-S306 WeakPolarHBondContact OE2-CA 3.48Å; E214-S306 WeakPolarHBondContact OE2-CB 3.28Å; E214-S306 PolarHBondContact OE2-N 3.03Å; E214-S306 PolarHBondContact OE2-OG 3.49Å; R301-S306 WeakPolarHBondContact O-CB 3.46Å; S303-S306 PolarHBondContact O-N 3.1Å; S306-S309 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-N 3.43Å
307L47.6Very low50.1Low13 Ų1344.9 Ų44.97%0.06823%0.23CC..Hα-helixtrans-73.1-32.8175.3-111.8139.3000112.8F298 R301 C302 S303 S305 S309 S310 L311 M343F298-L307 HydrophobicContact CZ-CD1 4.39Å; R301-L307 PolarHBondContact O-N 3.29Å; C302-L307 HydrophobicContact CB-CD1 4.17Å; C302-L307 VanDerWaalsContact SG-CD1 3.52Å; S303-L307 PolarHBondContact O-N 3.04Å; S305-L307 VanDerWaalsContact C-N 3.25Å; S305-L307 PolarHBondContact O-N 3.46Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 2.73Å; L307-S310 PolarHBondContact O-N 2.76Å; L307-L311 HydrophobicContact CD2-CD1 3.77Å; L307-L311 HydrophobicContact CD2-CG 4.31Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 WeakPolarHBondContact O-CD1 3.48Å; L307-L311 PolarHBondContact O-N 3.49Å; L307-M343 HydrophobicContact CB-CE 3.67Å; L307-M343 HydrophobicContact CB-SD 3.64Å; L307-M343 HydrophobicContact CD1-CE 3.25Å; L307-M343 HydrophobicContact CD1-SD 4.19Å; L307-M343 HydrophobicContact CD2-CB 3.56Å; L307-M343 HydrophobicContact CD2-CE 3.41Å; L307-M343 VanDerWaalsContact CD2-CE 3.41Å; L307-M343 HydrophobicContact CD2-CG 3.84Å; L307-M343 HydrophobicContact CD2-SD 3.17Å; L307-M343 WeakPolarHBondContact CD2-SD 3.35Å; L307-M343 HydrophobicContact CG-CE 3.52Å; L307-M343 HydrophobicContact CG-SD 3.76Å
308S50Low51.5Low2 Ų240.1 Ų40.11%0.01421%0.214CC..Hα-helixtrans-61.8-41.2171.8-59.90000112.3V304 S305 S310 G312 I313 V319V304-S308 PolarHBondContact O-N 3.26Å; V304-S308 PolarHBondContact O-OG 3.25Å; S305-S308 WeakPolarHBondContact O-CB 3.27Å; S305-S308 PolarHBondContact O-N 3.28Å; S308-S310 VanDerWaalsContact C-N 3.35Å; S308-S310 PolarHBondContact O-N 2.86Å; S308-G312 PolarHBondContact O-N 2.62Å; S308-I313 CarbonylContact O-C 3.47Å; S308-I313 WeakPolarHBondContact O-CA 3.34Å; S308-I313 PolarHBondContact O-N 3.1Å; S308-V319 WeakPolarHBondContact OG-CG2 3.31Å
309S47.8Very low52.9Low59 Ų5939 Ų3941%0.41321%0.209SC..Hα-helixtrans-68.5-30.7174.8-71.50000113.3R117 S305 S306 L307R117-S309 PolarHBondContact NH1-OG 3.04Å; R117-S309 VanDerWaalsContact NH1-OG 3.09Å; S305-S309 PolarHBondContact O-N 3.44Å; S306-S309 PolarHBondContact O-N 3.2Å; L307-S309 VanDerWaalsContact C-N 3.34Å; L307-S309 PolarHBondContact O-N 2.73Å
310S47.5Very low54.8Low64 Ų6438.3 Ų38.345%0.44820%0.203SC..Hα-helixtrans-78.1-28.8178.4-163.30000113.6S306 L307 S308S306-S310 PolarHBondContact O-N 3.43Å; L307-S310 PolarHBondContact O-N 2.76Å; S308-S310 VanDerWaalsContact C-N 3.35Å; S308-S310 PolarHBondContact O-N 2.86Å
311L45.7Very low56.6Low14 Ų1435.9 Ų35.97%0.07320%0.195CC..THydrogen-bonded Turntrans-88.8-1.5-178.7-79.9158.9000114L307 I313 M343 Y346 E347L307-L311 HydrophobicContact CD2-CD1 3.77Å; L307-L311 HydrophobicContact CD2-CG 4.31Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 WeakPolarHBondContact O-CD1 3.48Å; L307-L311 PolarHBondContact O-N 3.49Å; L311-I313 HydrophobicContact CB-CD1 3.96Å; L311-I313 HydrophobicContact CB-CG1 3.84Å; L311-I313 HydrophobicContact CD1-CD1 3.88Å; L311-I313 PolarHBondContact O-N 3.23Å; L311-M343 HydrophobicContact CD1-CB 4.06Å; L311-M343 HydrophobicContact CD1-CG 3.55Å; L311-M343 HydrophobicContact CD1-SD 3.36Å; L311-M343 WeakPolarHBondContact CD1-SD 3.35Å; L311-Y346 HydrophobicContact CD2-CD1 3.54Å; L311-Y346 HydrophobicContact CD2-CE1 4.01Å; L311-E347 HydrophobicContact CD2-CG 3.79Å; L311-E347 WeakPolarHBondContact CD2-OE1 3.47Å
312G48.6Very low57.9Low22 Ų2229.2 Ų29.223%0.22717%0.17CC..THydrogen-bonded Turntrans64.325.1-168.200000113.1S308 F314S308-G312 PolarHBondContact O-N 2.62Å; G312-F314 WeakPolarHBondContact O-CD2 3.36Å; G312-F314 WeakPolarHBondContact O-CE2 3.36Å; G312-F314 PolarHBondContact O-N 3.39Å
313I53.1Low59.6Low10 Ų1029.4 Ų29.45%0.05117%0.169CC..  trans-76.478.4164.7-56.8169.5000106I3 S308 L311 N315 D318 V319I3-I313 HydrophobicContact CG2-CD1 4.22Å; I3-I313 HydrophobicContact CG2-CG1 3.72Å; S308-I313 CarbonylContact O-C 3.47Å; S308-I313 WeakPolarHBondContact O-CA 3.34Å; S308-I313 PolarHBondContact O-N 3.1Å; L311-I313 HydrophobicContact CB-CD1 3.96Å; L311-I313 HydrophobicContact CB-CG1 3.84Å; L311-I313 HydrophobicContact CD1-CD1 3.88Å; L311-I313 PolarHBondContact O-N 3.23Å; I313-N315 VanDerWaalsContact C-N 3.27Å; I313-D318 HydrophobicContact CG2-CB 3.37Å; I313-V319 HydrophobicContact CG2-CG2 4.2Å
314F52.8Low61.1Low139 Ų13928.5 Ų28.561%0.6116%0.162SC*.  trans-81.3-11.5178.6-58.9-70.2000112.2G312G312-F314 WeakPolarHBondContact O-CD2 3.36Å; G312-F314 WeakPolarHBondContact O-CE2 3.36Å; G312-F314 PolarHBondContact O-N 3.39Å
315N65.9Low62.3Low75 Ų7528.6 Ų28.640%0.40116%0.162SC..  trans-88116.5-178.4-164.2-21.3000110.4I313 L317 D318 V319I313-N315 VanDerWaalsContact C-N 3.27Å; N315-L317 PolarHBondContact O-N 2.96Å; N315-L317 VanDerWaalsContact O-N 3.13Å; N315-L317 WeakPolarHBondContact OD1-CB 3.42Å; N315-L317 WeakPolarHBondContact OD1-CG 3.31Å; N315-L317 PolarHBondContact OD1-N 3.06Å; N315-D318 HydrophobicContact CB-CB 4.43Å; N315-D318 WeakPolarHBondContact O-CB 3.1Å; N315-D318 PolarHBondContact O-N 3.4Å; N315-V319 PolarHBondContact O-N 2.7Å
316I68Low63.6Low18 Ų1829 Ų299%0.09216%0.164CC..Hα-helixtrans-54-31.5174.8-167.963.5000112.4M120 Y221 D318 V319 I320M120-I316 HydrophobicContact CE-CB 4.02Å; M120-I316 HydrophobicContact CE-CG1 3.96Å; M120-I316 HydrophobicContact CE-CG2 3.68Å; M120-I316 HydrophobicContact SD-CB 4.09Å; M120-I316 HydrophobicContact SD-CD1 4.18Å; M120-I316 HydrophobicContact SD-CG1 3.9Å; M120-I316 HydrophobicContact SD-CG2 4.4Å; Y221-I316 HydrophobicContact CD1-CG1 3.85Å; Y221-I316 HydrophobicContact CE1-CG1 3.91Å; Y221-I316 HydrophobicContact CE1-CG2 4.15Å; Y221-I316 HydrophobicContact CG-CG1 4.32Å; I316-D318 VanDerWaalsContact C-N 3.31Å; I316-D318 PolarHBondContact O-N 3.35Å; I316-V319 WeakPolarHBondContact O-CB 3.18Å; I316-V319 PolarHBondContact O-N 3.26Å; I316-I320 HydrophobicContact CG1-CD1 3.95Å; I316-I320 HydrophobicContact CG1-CG1 4.34Å; I316-I320 WeakPolarHBondContact O-CD1 3.45Å; I316-I320 WeakPolarHBondContact O-CG1 3.47Å; I316-I320 PolarHBondContact O-N 3.33Å
317L73Confident65.2Low61 Ų6128.1 Ų28.132%0.31916%0.158SC..Hα-helixtrans-64.6-37.3178.8-63.1175.6000111.9N315 V319 I320 C321N315-L317 PolarHBondContact O-N 2.96Å; N315-L317 VanDerWaalsContact O-N 3.13Å; N315-L317 WeakPolarHBondContact OD1-CB 3.42Å; N315-L317 WeakPolarHBondContact OD1-CG 3.31Å; N315-L317 PolarHBondContact OD1-N 3.06Å; L317-V319 VanDerWaalsContact C-N 3.33Å; L317-I320 PolarHBondContact O-N 3.28Å; L317-C321 WeakPolarHBondContact O-CB 3.48Å; L317-C321 PolarHBondContact O-N 3.44Å; L317-C321 PolarHBondContact O-SG 3.5Å
318D71.1Confident66.7Low36 Ų3629.9 Ų29.919%0.19317%0.174CC..Hα-helixtrans-66.8-40177-72.3-23.3000110.8V4 I313 N315 I316 C321 L322V4-D318 HydrophobicContact CG2-CB 3.31Å; V4-D318 VanDerWaalsContact CG2-OD1 3.23Å; V4-D318 WeakPolarHBondContact CG2-OD1 3.43Å; I313-D318 HydrophobicContact CG2-CB 3.37Å; N315-D318 HydrophobicContact CB-CB 4.43Å; N315-D318 WeakPolarHBondContact O-CB 3.1Å; N315-D318 PolarHBondContact O-N 3.4Å; I316-D318 VanDerWaalsContact C-N 3.31Å; I316-D318 PolarHBondContact O-N 3.35Å; D318-C321 PolarHBondContact O-N 3.44Å; D318-L322 PolarHBondContact O-N 3.08Å; D318-L322 VanDerWaalsContact O-N 3.13Å
319V72.2Confident67.9Low1 Ų130.3 Ų30.31%0.00618%0.176CC..Hα-helixtrans-61.5-50.9173.6-1760000109.6P218 V304 S308 I313 N315 I316 L317 C321 L322 W323P218-V319 HydrophobicContact CG-CG1 4.35Å; V304-V319 HydrophobicContact CG1-CG1 4.41Å; S308-V319 WeakPolarHBondContact OG-CG2 3.31Å; I313-V319 HydrophobicContact CG2-CG2 4.2Å; N315-V319 PolarHBondContact O-N 2.7Å; I316-V319 WeakPolarHBondContact O-CB 3.18Å; I316-V319 PolarHBondContact O-N 3.26Å; L317-V319 VanDerWaalsContact C-N 3.33Å; V319-C321 VanDerWaalsContact C-N 3.32Å; V319-C321 PolarHBondContact O-N 2.84Å; V319-L322 WeakPolarHBondContact O-CB 3.45Å; V319-L322 PolarHBondContact O-N 3.28Å; V319-L322 VanDerWaalsContact O-N 3.09Å; V319-W323 PolarHBondContact O-N 2.69Å
320I79.1Confident69Low1 Ų133.3 Ų33.31%0.00519%0.194CC..Hα-helixtrans-59.4-42179.7-68.9164.7000111.6R32 W36 Y221 V222 I316 L317 L322 W323 D324R32-I320 VanDerWaalsContact NE-CG2 3.34Å; W36-I320 HydrophobicContact CZ2-CG2 3.94Å; Y221-I320 HydrophobicContact CD1-CD1 3.46Å; Y221-I320 VanDerWaalsContact CD1-CD1 3.46Å; Y221-I320 HydrophobicContact CD1-CG1 4.44Å; Y221-I320 HydrophobicContact CE1-CD1 3.37Å; V222-I320 HydrophobicContact CG2-CD1 4.04Å; V222-I320 HydrophobicContact CG2-CG1 4.08Å; V222-I320 HydrophobicContact CG2-CG2 4.09Å; I316-I320 HydrophobicContact CG1-CD1 3.95Å; I316-I320 HydrophobicContact CG1-CG1 4.34Å; I316-I320 WeakPolarHBondContact O-CD1 3.45Å; I316-I320 WeakPolarHBondContact O-CG1 3.47Å; I316-I320 PolarHBondContact O-N 3.33Å; L317-I320 PolarHBondContact O-N 3.28Å; I320-L322 VanDerWaalsContact C-N 3.29Å; I320-L322 PolarHBondContact O-N 2.83Å; I320-W323 CarbonylContact O-C 3.36Å; I320-W323 WeakPolarHBondContact O-CA 3.46Å; I320-W323 WeakPolarHBondContact O-CB 3.3Å; I320-W323 PolarHBondContact O-N 2.88Å; I320-W323 VanDerWaalsContact O-N 3.11Å; I320-D324 PolarHBondContact O-N 2.99Å
321C78.5Confident70Confident19 Ų1933.3 Ų33.313%0.12819%0.194CC..Hα-helixtrans-60.9-38.3176-76.50000112.5C24 L317 D318 V319 D324 T325C24-C321 HydrophobicContact CB-CB 4.09Å; C24-C321 VanDerWaalsContact SG-CB 3.55Å; L317-C321 WeakPolarHBondContact O-CB 3.48Å; L317-C321 PolarHBondContact O-N 3.44Å; L317-C321 PolarHBondContact O-SG 3.5Å; D318-C321 PolarHBondContact O-N 3.44Å; V319-C321 VanDerWaalsContact C-N 3.32Å; V319-C321 PolarHBondContact O-N 2.84Å; C321-D324 WeakPolarHBondContact O-CB 3.43Å; C321-D324 PolarHBondContact O-N 2.75Å; C321-T325 PolarHBondContact O-N 3.45Å; C321-T325 PolarHBondContact O-OG1 2.87Å; C321-T325 VanDerWaalsContact O-OG1 3.06Å
322L74.2Confident71.3Confident11 Ų1134.1 Ų34.16%0.05820%0.196CC..Hα-helixtrans-67.5-40.5173.7-177.653.9000110.9V304 D318 V319 I320 T325 L326 V339V304-L322 HydrophobicContact CB-CD2 4.32Å; V304-L322 HydrophobicContact CG1-CB 4.28Å; V304-L322 HydrophobicContact CG1-CD2 3.39Å; V304-L322 HydrophobicContact CG1-CG 3.77Å; V304-L322 HydrophobicContact CG2-CD2 4.16Å; V304-L322 HydrophobicContact CG2-CG 4.38Å; D318-L322 PolarHBondContact O-N 3.08Å; D318-L322 VanDerWaalsContact O-N 3.13Å; V319-L322 WeakPolarHBondContact O-CB 3.45Å; V319-L322 PolarHBondContact O-N 3.28Å; V319-L322 VanDerWaalsContact O-N 3.09Å; I320-L322 VanDerWaalsContact C-N 3.29Å; I320-L322 PolarHBondContact O-N 2.83Å; L322-T325 PolarHBondContact O-N 3.11Å; L322-L326 HydrophobicContact CD1-CD1 4.31Å; L322-L326 HydrophobicContact CD1-CG 4.48Å; L322-L326 HydrophobicContact CG-CD1 4.05Å; L322-L326 VanDerWaalsContact O-CG 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 3.33Å; L322-V339 HydrophobicContact CD1-CG1 3.88Å; L322-V339 HydrophobicContact CD1-CG2 4.03Å; L322-V339 HydrophobicContact CD2-CG1 3.9Å; L322-V339 HydrophobicContact CG-CG1 4.48Å
323W79.6Confident72.3Confident22 Ų2235.9 Ų35.98%0.08320%0.198CC..Hα-helixtrans-64.4-38173-8194000113.2W36 I215 P218 L246 V319 I320 T325 L326 I327W36-W323 HydrophobicContact CH2-CB 3.45Å; W36-W323 VanDerWaalsContact CH2-CB 3.45Å; W36-W323 HydrophobicContact CH2-CG 4.01Å; W36-W323 HydrophobicContact CZ2-CB 3.47Å; W36-W323 VanDerWaalsContact CZ2-CB 3.47Å; W36-W323 HydrophobicContact CZ2-CG 4.49Å; I215-W323 HydrophobicContact CB-CH2 4.2Å; I215-W323 HydrophobicContact CG1-CH2 4.14Å; I215-W323 HydrophobicContact CG2-CH2 3.85Å; P218-W323 HydrophobicContact CB-CG 4.47Å; L246-W323 HydrophobicContact CD2-CH2 4.28Å; L246-W323 HydrophobicContact CD2-CZ3 3.81Å; V319-W323 PolarHBondContact O-N 2.69Å; I320-W323 CarbonylContact O-C 3.36Å; I320-W323 WeakPolarHBondContact O-CA 3.46Å; I320-W323 WeakPolarHBondContact O-CB 3.3Å; I320-W323 PolarHBondContact O-N 2.88Å; I320-W323 VanDerWaalsContact O-N 3.11Å; W323-T325 PolarHBondContact O-N 3.48Å; W323-L326 PolarHBondContact O-N 2.78Å; W323-I327 HydrophobicContact CB-CD1 4.34Å; W323-I327 HydrophobicContact CE3-CD1 3.94Å; W323-I327 HydrophobicContact CE3-CG1 4.06Å; W323-I327 VanDerWaalsContact O-CB 3.25Å; W323-I327 WeakPolarHBondContact O-CB 3.3Å; W323-I327 WeakPolarHBondContact O-CG1 3.45Å; W323-I327 PolarHBondContact O-N 3.37Å
324D81.5Confident73Confident5 Ų538.1 Ų38.13%0.02721%0.214CC..Hα-helixtrans-53.9-46.6174.6-75.1-13000110I25 R32 W36 I320 C321 A328I25-D324 HydrophobicContact CG1-CB 4.48Å; I25-D324 PolarHBondContact N-OD2 3.41Å; R32-D324 VanDerWaalsContact CD-OD1 3.28Å; R32-D324 WeakPolarHBondContact CD-OD1 3.49Å; R32-D324 WeakPolarHBondContact CG-OD1 3.47Å; R32-D324 IonicContact NE-OD1 3.15Å; R32-D324 PolarHBondContact NE-OD1 3.49Å; R32-D324 IonicContact NE-OD2 2.61Å; R32-D324 PolarHBondContact NE-OD2 3.21Å; W36-D324 PolarHBondContact NE1-OD1 3.32Å; I320-D324 PolarHBondContact O-N 2.99Å; C321-D324 WeakPolarHBondContact O-CB 3.43Å; C321-D324 PolarHBondContact O-N 2.75Å; D324-A328 VanDerWaalsContact O-CB 3.22Å; D324-A328 WeakPolarHBondContact O-CB 3.38Å; D324-A328 PolarHBondContact O-N 3.13Å
325T76.8Confident73.9Confident5 Ų531.5 Ų31.53%0.03119%0.185CC..Hα-helixtrans-69.7-44.4-178.5-42.60000111.5C22 C321 L322 W323 A328 D329 M335C22-T325 HydrophobicContact CB-CG2 4.19Å; C22-T325 WeakPolarHBondContact SG-CG2 3.42Å; C321-T325 PolarHBondContact O-N 3.45Å; C321-T325 PolarHBondContact O-OG1 2.87Å; C321-T325 VanDerWaalsContact O-OG1 3.06Å; L322-T325 PolarHBondContact O-N 3.11Å; W323-T325 PolarHBondContact O-N 3.48Å; T325-A328 PolarHBondContact O-N 3.33Å; T325-D329 WeakPolarHBondContact O-CB 3.47Å; T325-D329 PolarHBondContact O-N 3.15Å; T325-M335 HydrophobicContact CG2-CE 3.28Å; T325-M335 HydrophobicContact CG2-SD 3.94Å
326L76.4Confident74.1Confident9 Ų930.4 Ų30.45%0.04718%0.179CC..Hα-helixtrans-65.9-39.4179.1-72.9167.3000112.7V304 L322 W323 R332 M335 L336V304-L326 HydrophobicContact CB-CD1 4.38Å; V304-L326 HydrophobicContact CG2-CD1 3.28Å; L322-L326 HydrophobicContact CD1-CD1 4.31Å; L322-L326 HydrophobicContact CD1-CG 4.48Å; L322-L326 HydrophobicContact CG-CD1 4.05Å; L322-L326 VanDerWaalsContact O-CG 3.31Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 3.33Å; W323-L326 PolarHBondContact O-N 2.78Å; L326-R332 WeakPolarHBondContact O-CB 3.36Å; L326-R332 PolarHBondContact O-NE 2.68Å; L326-M335 HydrophobicContact CD2-CB 4.23Å; L326-M335 HydrophobicContact CD2-CG 4.28Å; L326-M335 HydrophobicContact CD2-SD 3.83Å; L326-M335 HydrophobicContact CG-SD 4.42Å; L326-L336 HydrophobicContact CD1-CD2 3.86Å; L326-L336 HydrophobicContact CD2-CD2 3.83Å; L326-L336 HydrophobicContact CD2-CG 3.77Å
327I78.9Confident74.2Confident4 Ų430.2 Ų30.22%0.02118%0.178CC..Hα-helixtrans-71.2-36.6179.2-69.3169.8000110W36 L39 L40 W323 D329 R332W36-I327 HydrophobicContact CD2-CD1 3.62Å; W36-I327 HydrophobicContact CE3-CD1 3.75Å; W36-I327 HydrophobicContact CG-CD1 4.19Å; W36-I327 HydrophobicContact CH2-CD1 4.05Å; W36-I327 HydrophobicContact CZ2-CD1 3.93Å; W36-I327 HydrophobicContact CZ3-CD1 3.94Å; L39-I327 HydrophobicContact CB-CG2 3.29Å; L39-I327 HydrophobicContact CD1-CG2 3.85Å; L39-I327 HydrophobicContact CG-CG2 4.2Å; L40-I327 HydrophobicContact CD1-CD1 4.12Å; L40-I327 HydrophobicContact CD2-CD1 4.31Å; L40-I327 HydrophobicContact CD2-CG1 4.08Å; L40-I327 HydrophobicContact CD2-CG2 3.92Å; L40-I327 HydrophobicContact CG-CD1 4.36Å; L40-I327 HydrophobicContact CG-CG2 4Å; W323-I327 HydrophobicContact CB-CD1 4.34Å; W323-I327 HydrophobicContact CE3-CD1 3.94Å; W323-I327 HydrophobicContact CE3-CG1 4.06Å; W323-I327 VanDerWaalsContact O-CB 3.25Å; W323-I327 WeakPolarHBondContact O-CB 3.3Å; W323-I327 WeakPolarHBondContact O-CG1 3.45Å; W323-I327 PolarHBondContact O-N 3.37Å; I327-D329 VanDerWaalsContact C-N 3.35Å; I327-R332 PolarHBondContact O-NH2 3.12Å
328A79.6Confident74.3Confident50 Ų5030.2 Ų30.241%0.41317%0.174SC..Hα-helixtrans-70.8-27.7177.600000113.7L39 D324 T325L39-A328 HydrophobicContact CD1-CB 4.24Å; D324-A328 VanDerWaalsContact O-CB 3.22Å; D324-A328 WeakPolarHBondContact O-CB 3.38Å; D324-A328 PolarHBondContact O-N 3.13Å; T325-A328 PolarHBondContact O-N 3.33Å
329D74.6Confident74.2Confident11 Ų1128.5 Ų28.56%0.05917%0.165CC..  trans-79.1125-175.9-161.9-73.3000112.2Y18 T325 I327 C331 R332 M335Y18-D329 WeakPolarHBondContact CD1-OD2 3.4Å; Y18-D329 VanDerWaalsContact CE1-OD2 3.26Å; Y18-D329 WeakPolarHBondContact CE1-OD2 3.34Å; T325-D329 WeakPolarHBondContact O-CB 3.47Å; T325-D329 PolarHBondContact O-N 3.15Å; I327-D329 VanDerWaalsContact C-N 3.35Å; D329-C331 PolarHBondContact O-N 3.15Å; D329-C331 WeakPolarHBondContact OD1-CA 3.24Å; D329-C331 WeakPolarHBondContact OD1-CB 3.3Å; D329-C331 PolarHBondContact OD1-N 3.42Å; D329-R332 HydrophobicContact CB-CB 4.49Å; D329-R332 WeakPolarHBondContact O-CB 3.37Å; D329-R332 PolarHBondContact O-N 2.92Å; D329-R332 PolarHBondContact O-NE 3.41Å; D329-R332 PolarHBondContact OD1-N 3.03Å; D329-M335 HydrophobicContact CB-SD 4.08Å
330P71.1Confident74.1Confident122 Ų12228.5 Ų28.579%0.79217%0.165SC*.THydrogen-bonded Turntrans-69.4-18.6176.627.4-33000113.3
331C69.8Low73.8Confident65 Ų6528.5 Ų28.544%0.43917%0.165SC..THydrogen-bonded Turntrans-11033.9174.7-62.20000111.7D329 F333 S334 M335D329-C331 PolarHBondContact O-N 3.15Å; D329-C331 WeakPolarHBondContact OD1-CA 3.24Å; D329-C331 WeakPolarHBondContact OD1-CB 3.3Å; D329-C331 PolarHBondContact OD1-N 3.42Å; C331-F333 PolarHBondContact O-N 3.27Å; C331-S334 WeakPolarHBondContact O-CB 3.29Å; C331-S334 PolarHBondContact O-N 3.19Å; C331-M335 PolarHBondContact O-N 2.82Å
332R72.4Confident73.5Confident30 Ų3027.6 Ų27.611%0.11316%0.159CC..Hα-helixtrans-45.2-35.1-177.663.5-174.966.4154.1-6.7115.6E249 L326 I327 D329 M335 L336E249-R332 VanDerWaalsContact CD-NH1 3.32Å; E249-R332 IonicContact OE1-NH1 2.93Å; E249-R332 PolarHBondContact OE1-NH1 3.1Å; E249-R332 IonicContact OE2-CZ 3.52Å; E249-R332 IonicContact OE2-NE 3.34Å; E249-R332 IonicContact OE2-NH1 3.38Å; E249-R332 PolarHBondContact OE2-NH1 3.41Å; L326-R332 WeakPolarHBondContact O-CB 3.36Å; L326-R332 PolarHBondContact O-NE 2.68Å; I327-R332 PolarHBondContact O-NH2 3.12Å; D329-R332 HydrophobicContact CB-CB 4.49Å; D329-R332 WeakPolarHBondContact O-CB 3.37Å; D329-R332 PolarHBondContact O-N 2.92Å; D329-R332 PolarHBondContact O-NE 3.41Å; D329-R332 PolarHBondContact OD1-N 3.03Å; R332-M335 WeakPolarHBondContact O-CB 3.49Å; R332-M335 PolarHBondContact O-N 3.21Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.42Å
333F68.7Low73.2Confident60 Ų6027.5 Ų27.526%0.26316%0.158SC..Hα-helixtrans-68.4-41.2176.9-57.5-74.1000113.7E249 I250 C331 M335 L336E249-F333 HydrophobicContact CB-CZ 4.05Å; E249-F333 WeakPolarHBondContact O-CZ 3.43Å; I250-F333 HydrophobicContact CB-CE1 3.82Å; I250-F333 HydrophobicContact CB-CZ 4.2Å; I250-F333 HydrophobicContact CG2-CD1 4.5Å; I250-F333 HydrophobicContact CG2-CE1 3.26Å; I250-F333 HydrophobicContact CG2-CZ 3.51Å; C331-F333 PolarHBondContact O-N 3.27Å; F333-M335 VanDerWaalsContact C-N 3.3Å; F333-L336 WeakPolarHBondContact O-CB 3.28Å; F333-L336 PolarHBondContact O-N 3Å
334S69Low72.7Confident56 Ų5626.6 Ų26.639%0.39216%0.155SC..Hα-helixtrans-67.6-39.1173.3-57.30000109.9C331 L336 L337 Y338C331-S334 WeakPolarHBondContact O-CB 3.29Å; C331-S334 PolarHBondContact O-N 3.19Å; S334-L336 VanDerWaalsContact C-N 3.33Å; S334-L336 PolarHBondContact O-N 3.43Å; S334-L337 WeakPolarHBondContact O-CB 3.47Å; S334-L337 PolarHBondContact O-N 3.37Å; S334-L337 VanDerWaalsContact O-N 3.14Å; S334-Y338 WeakPolarHBondContact O-CD2 3.47Å; S334-Y338 PolarHBondContact O-N 3.25Å
335M70.6Confident72.2Confident1 Ų127.2 Ų27.21%0.00516%0.159CC..Hα-helixtrans-58.8-43.5174.7-163.5-164.5166.500111.7F11 T325 L326 D329 C331 R332 F333 L337 Y338 V339F11-M335 HydrophobicContact CE1-CE 3.86Å; F11-M335 HydrophobicContact CE2-CE 4.23Å; F11-M335 HydrophobicContact CE2-CG 4.35Å; F11-M335 HydrophobicContact CZ-CE 3.5Å; F11-M335 HydrophobicContact CZ-CG 3.73Å; F11-M335 HydrophobicContact CZ-SD 4.49Å; T325-M335 HydrophobicContact CG2-CE 3.28Å; T325-M335 HydrophobicContact CG2-SD 3.94Å; L326-M335 HydrophobicContact CD2-CB 4.23Å; L326-M335 HydrophobicContact CD2-CG 4.28Å; L326-M335 HydrophobicContact CD2-SD 3.83Å; L326-M335 HydrophobicContact CG-SD 4.42Å; D329-M335 HydrophobicContact CB-SD 4.08Å; C331-M335 PolarHBondContact O-N 2.82Å; R332-M335 WeakPolarHBondContact O-CB 3.49Å; R332-M335 PolarHBondContact O-N 3.21Å; F333-M335 VanDerWaalsContact C-N 3.3Å; M335-L337 PolarHBondContact O-N 3.46Å; M335-Y338 WeakPolarHBondContact O-CA 3.38Å; M335-Y338 WeakPolarHBondContact O-CB 3.44Å; M335-Y338 PolarHBondContact O-N 3.47Å; M335-V339 HydrophobicContact CE-CG2 4.16Å; M335-V339 HydrophobicContact CG-CG2 4.37Å; M335-V339 WeakPolarHBondContact O-CG2 3.41Å; M335-V339 PolarHBondContact O-N 2.91Å
336L70.5Confident71.9Confident52 Ų5229.6 Ų29.627%0.27217%0.168SC..Hα-helixtrans-53.3-37.6175.6-80.6167.1000112.7V304 L326 R332 F333 S334 V339 A340V304-L336 HydrophobicContact CG2-CD2 3.47Å; V304-L336 VanDerWaalsContact CG2-CD2 3.47Å; L326-L336 HydrophobicContact CD1-CD2 3.86Å; L326-L336 HydrophobicContact CD2-CD2 3.83Å; L326-L336 HydrophobicContact CD2-CG 3.77Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.42Å; F333-L336 WeakPolarHBondContact O-CB 3.28Å; F333-L336 PolarHBondContact O-N 3Å; S334-L336 VanDerWaalsContact C-N 3.33Å; S334-L336 PolarHBondContact O-N 3.43Å; L336-V339 PolarHBondContact O-N 3.35Å; L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.42Å; L336-A340 PolarHBondContact O-N 2.89Å
337L70.9Confident71.4Confident14 Ų1431 Ų317%0.07317%0.174CC..Hα-helixtrans-65.7-40.3176-60.3176.5000111.9Q268 Q271 L272 L275 S334 M335 A340 L341Q268-L337 HydrophobicContact CB-CD2 4.08Å; Q268-L337 WeakPolarHBondContact O-CD2 3.4Å; Q271-L337 HydrophobicContact CB-CD1 3.85Å; L272-L337 HydrophobicContact CB-CD2 4.28Å; L272-L337 WeakPolarHBondContact CD1-O 3.45Å; L275-L337 HydrophobicContact CD1-CB 4.31Å; S334-L337 WeakPolarHBondContact O-CB 3.47Å; S334-L337 PolarHBondContact O-N 3.37Å; S334-L337 VanDerWaalsContact O-N 3.14Å; M335-L337 PolarHBondContact O-N 3.46Å; L337-A340 PolarHBondContact O-N 2.84Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 PolarHBondContact O-N 3.25Å
338Y74.1Confident70.9Confident60 Ų6035 Ų3524%0.23519%0.189CC..Hα-helixtrans-69.4-36.7175.3-67.6-75.5000112.1F11 Y18 L275 S334 M335 L341 A342F11-Y338 VanDerWaalsContact CE2-CB 3.5Å; Y18-Y338 HydrophobicContact CE2-CE2 4.45Å; L275-Y338 HydrophobicContact CD1-CD1 4.49Å; L275-Y338 HydrophobicContact CD1-CE1 4.15Å; L275-Y338 HydrophobicContact CD2-CE1 4.01Å; S334-Y338 WeakPolarHBondContact O-CD2 3.47Å; S334-Y338 PolarHBondContact O-N 3.25Å; M335-Y338 WeakPolarHBondContact O-CA 3.38Å; M335-Y338 WeakPolarHBondContact O-CB 3.44Å; M335-Y338 PolarHBondContact O-N 3.47Å; Y338-L341 PolarHBondContact O-N 3.25Å; Y338-A342 WeakPolarHBondContact O-CB 3.4Å; Y338-A342 PolarHBondContact O-N 2.91Å
339V70.2Confident70.1Confident1 Ų137.4 Ų37.41%0.00620%0.202CC..Hα-helixtrans-63.1-49.4174.4179.50000108.1F7 F11 L322 M335 L336 L341 A342 M343F7-V339 HydrophobicContact CE1-CG1 3.88Å; F7-V339 HydrophobicContact CZ-CB 4.25Å; F7-V339 HydrophobicContact CZ-CG1 3.53Å; F7-V339 WeakPolarHBondContact CZ-O 3.5Å; F11-V339 HydrophobicContact CD2-CG2 4.1Å; F11-V339 HydrophobicContact CE2-CB 4.37Å; F11-V339 HydrophobicContact CE2-CG2 3.54Å; F11-V339 HydrophobicContact CZ-CG2 4.29Å; L322-V339 HydrophobicContact CD1-CG1 3.88Å; L322-V339 HydrophobicContact CD1-CG2 4.03Å; L322-V339 HydrophobicContact CD2-CG1 3.9Å; L322-V339 HydrophobicContact CG-CG1 4.48Å; M335-V339 HydrophobicContact CE-CG2 4.16Å; M335-V339 HydrophobicContact CG-CG2 4.37Å; M335-V339 WeakPolarHBondContact O-CG2 3.41Å; M335-V339 PolarHBondContact O-N 2.91Å; L336-V339 PolarHBondContact O-N 3.35Å; V339-L341 VanDerWaalsContact C-N 3.32Å; V339-L341 PolarHBondContact O-N 3.49Å; V339-A342 PolarHBondContact O-N 3.17Å; V339-M343 HydrophobicContact CG1-CE 3.74Å; V339-M343 HydrophobicContact CG1-SD 4.2Å; V339-M343 VanDerWaalsContact O-CG 3.25Å; V339-M343 WeakPolarHBondContact O-CG 3.05Å; V339-M343 PolarHBondContact O-N 3.3Å
340A69.7Low69.6Low1 Ų140 Ų401%0.00822%0.221CC..Hα-helixtrans-55.8-44.6175.400000112.7L272 F298 C302 L336 L337 M343 L344L272-A340 HydrophobicContact CD1-CB 4.03Å; L272-A340 HydrophobicContact CD2-CB 4.21Å; F298-A340 HydrophobicContact CE1-CB 4.27Å; C302-A340 HydrophobicContact CB-CB 4.45Å; C302-A340 VanDerWaalsContact SG-CB 3.51Å; L336-A340 VanDerWaalsContact O-CB 3.27Å; L336-A340 WeakPolarHBondContact O-CB 3.42Å; L336-A340 PolarHBondContact O-N 2.89Å; L337-A340 PolarHBondContact O-N 2.84Å; A340-M343 HydrophobicContact CB-CE 4.46Å; A340-M343 PolarHBondContact O-N 3.22Å; A340-L344 PolarHBondContact O-N 2.94Å
341L73.7Confident69.2Low1 Ų137 Ų371%0.00519%0.194CC..Hα-helixtrans-62.8-48.2176.5178.965000112.1L272 L275 L276 V279 L337 Y338 V339 M343 L344 V345L272-L341 HydrophobicContact CD1-CB 3.91Å; L275-L341 HydrophobicContact CB-CD2 3.93Å; L276-L341 HydrophobicContact CB-CD1 3.85Å; L276-L341 HydrophobicContact CD1-CD1 3.62Å; L276-L341 HydrophobicContact CG-CD1 4.37Å; V279-L341 HydrophobicContact CB-CD2 4.36Å; V279-L341 HydrophobicContact CG2-CD2 3.86Å; L337-L341 VanDerWaalsContact O-CB 3.31Å; L337-L341 WeakPolarHBondContact O-CB 3.34Å; L337-L341 PolarHBondContact O-N 3.25Å; Y338-L341 PolarHBondContact O-N 3.25Å; V339-L341 VanDerWaalsContact C-N 3.32Å; V339-L341 PolarHBondContact O-N 3.49Å; L341-M343 PolarHBondContact O-N 3.5Å; L341-L344 WeakPolarHBondContact O-CB 3.43Å; L341-L344 PolarHBondContact O-N 2.8Å; L341-V345 HydrophobicContact CD1-CG2 4.47Å; L341-V345 WeakPolarHBondContact O-CG2 3.33Å; L341-V345 PolarHBondContact O-N 3.18Å
342A72.3Confident68.7Low0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-59.2-33.9177.100000111F7 F11 F14 Y338 V339 Y346F7-A342 HydrophobicContact CD2-CB 4.37Å; F7-A342 HydrophobicContact CE2-CB 3.52Å; F7-A342 HydrophobicContact CZ-CB 3.79Å; F11-A342 HydrophobicContact CB-CB 4.34Å; F11-A342 HydrophobicContact CD2-CB 4.3Å; F14-A342 HydrophobicContact CD2-CB 4.21Å; F14-A342 HydrophobicContact CE2-CB 4.41Å; Y338-A342 WeakPolarHBondContact O-CB 3.4Å; Y338-A342 PolarHBondContact O-N 2.91Å; V339-A342 PolarHBondContact O-N 3.17Å; A342-Y346 WeakPolarHBondContact O-CB 3.31Å; A342-Y346 PolarHBondContact O-N 3.24Å
343M67.2Low67.9Low8 Ų841.9 Ų41.94%0.03921%0.211CC..Hα-helixtrans-71.7-42.6177.5-67.5-176.3-64.800111.6F7 L307 L311 V339 A340 L341 V345 Y346 E347F7-M343 HydrophobicContact CD2-CG 3.98Å; F7-M343 HydrophobicContact CE2-CB 4.14Å; F7-M343 HydrophobicContact CE2-CG 3.14Å; F7-M343 HydrophobicContact CE2-SD 4.3Å; F7-M343 HydrophobicContact CZ-CG 3.65Å; F7-M343 HydrophobicContact CZ-SD 4.36Å; L307-M343 HydrophobicContact CB-CE 3.67Å; L307-M343 HydrophobicContact CB-SD 3.64Å; L307-M343 HydrophobicContact CD1-CE 3.25Å; L307-M343 HydrophobicContact CD1-SD 4.19Å; L307-M343 HydrophobicContact CD2-CB 3.56Å; L307-M343 HydrophobicContact CD2-CE 3.41Å; L307-M343 VanDerWaalsContact CD2-CE 3.41Å; L307-M343 HydrophobicContact CD2-CG 3.84Å; L307-M343 HydrophobicContact CD2-SD 3.17Å; L307-M343 WeakPolarHBondContact CD2-SD 3.35Å; L307-M343 HydrophobicContact CG-CE 3.52Å; L307-M343 HydrophobicContact CG-SD 3.76Å; L311-M343 HydrophobicContact CD1-CB 4.06Å; L311-M343 HydrophobicContact CD1-CG 3.55Å; L311-M343 HydrophobicContact CD1-SD 3.36Å; L311-M343 WeakPolarHBondContact CD1-SD 3.35Å; V339-M343 HydrophobicContact CG1-CE 3.74Å; V339-M343 HydrophobicContact CG1-SD 4.2Å; V339-M343 VanDerWaalsContact O-CG 3.25Å; V339-M343 WeakPolarHBondContact O-CG 3.05Å; V339-M343 PolarHBondContact O-N 3.3Å; A340-M343 HydrophobicContact CB-CE 4.46Å; A340-M343 PolarHBondContact O-N 3.22Å; L341-M343 PolarHBondContact O-N 3.5Å; M343-V345 VanDerWaalsContact C-N 3.3Å; M343-V345 PolarHBondContact O-N 3.08Å; M343-Y346 PolarHBondContact O-N 3.25Å; M343-E347 PolarHBondContact O-N 3.36Å
344L69Low67.2Low4 Ų444.2 Ų44.22%0.02122%0.223CC..Hα-helixtrans-57.6-44.6173.2-76.7171.3000111.6L272 L276 L283 M287 F298 A340 L341 E347 R348L272-L344 HydrophobicContact CD1-CD1 4.45Å; L272-L344 HydrophobicContact CD2-CD1 4.15Å; L272-L344 HydrophobicContact CG-CD1 4.38Å; L276-L344 HydrophobicContact CD1-CD1 4.49Å; L276-L344 HydrophobicContact CD2-CD1 4.4Å; L283-L344 HydrophobicContact CD2-CB 4.36Å; L283-L344 WeakPolarHBondContact CD2-O 3.42Å; M287-L344 HydrophobicContact CE-CD1 4.41Å; M287-L344 HydrophobicContact CE-CD2 3.73Å; M287-L344 HydrophobicContact SD-CD1 4.33Å; M287-L344 HydrophobicContact SD-CD2 3.85Å; F298-L344 HydrophobicContact CE1-CD1 3.8Å; F298-L344 HydrophobicContact CE1-CD2 3.97Å; F298-L344 HydrophobicContact CE1-CG 3.79Å; F298-L344 HydrophobicContact CE2-CD2 3.61Å; F298-L344 HydrophobicContact CE2-CG 4.3Å; F298-L344 HydrophobicContact CZ-CD1 4.01Å; F298-L344 HydrophobicContact CZ-CD2 3.3Å; F298-L344 HydrophobicContact CZ-CG 3.49Å; F298-L344 VanDerWaalsContact CZ-CG 3.49Å; A340-L344 PolarHBondContact O-N 2.94Å; L341-L344 WeakPolarHBondContact O-CB 3.43Å; L341-L344 PolarHBondContact O-N 2.8Å; L344-E347 PolarHBondContact O-N 3.35Å; L344-R348 PolarHBondContact O-N 2.62Å; L344-R348 VanDerWaalsContact O-N 3.11Å
345V71.8Confident66.1Low17 Ų1744.4 Ų44.410%0.10322%0.219CC..Hα-helixtrans-69.9-34.9178.8177.10000111.6Y10 F14 V279 L341 M343 R348Y10-V345 HydrophobicContact CD1-CG1 4.19Å; Y10-V345 HydrophobicContact CE1-CG1 4.33Å; F14-V345 HydrophobicContact CE2-CB 4.36Å; F14-V345 HydrophobicContact CE2-CG1 4.43Å; F14-V345 HydrophobicContact CE2-CG2 4.38Å; F14-V345 HydrophobicContact CZ-CB 4.35Å; F14-V345 HydrophobicContact CZ-CG1 4.06Å; F14-V345 HydrophobicContact CZ-CG2 4.2Å; V279-V345 HydrophobicContact CG1-CG2 4.14Å; L341-V345 HydrophobicContact CD1-CG2 4.47Å; L341-V345 WeakPolarHBondContact O-CG2 3.33Å; L341-V345 PolarHBondContact O-N 3.18Å; M343-V345 VanDerWaalsContact C-N 3.3Å; M343-V345 PolarHBondContact O-N 3.08Å; V345-R348 WeakPolarHBondContact O-CB 3.3Å; V345-R348 PolarHBondContact O-N 3.27Å
346Y69.4Low64.9Low56 Ų5647.7 Ų47.722%0.2224%0.24CC..Hα-helixtrans-63.3-44176.2-177.8-96.2000112R6 Y10 L311 A342 M343 R348R6-Y346 HydrophobicContact CB-CE2 4.29Å; Y10-Y346 HydrophobicContact CD2-CD2 4.09Å; Y10-Y346 HydrophobicContact CE2-CD2 4.05Å; L311-Y346 HydrophobicContact CD2-CD1 3.54Å; L311-Y346 HydrophobicContact CD2-CE1 4.01Å; A342-Y346 WeakPolarHBondContact O-CB 3.31Å; A342-Y346 PolarHBondContact O-N 3.24Å; M343-Y346 PolarHBondContact O-N 3.25Å; Y346-R348 PolarHBondContact O-N 2.85Å
347E65.8Low63.5Low39 Ų3948.5 Ų48.518%0.18225%0.247CC..THydrogen-bonded Turntrans-81.62.1176.8-72.6-63.3156.700113.6L311 M343 L344 C349 S350 Y351L311-E347 HydrophobicContact CD2-CG 3.79Å; L311-E347 WeakPolarHBondContact CD2-OE1 3.47Å; M343-E347 PolarHBondContact O-N 3.36Å; L344-E347 PolarHBondContact O-N 3.35Å; E347-C349 PolarHBondContact O-N 2.94Å; E347-C349 VanDerWaalsContact O-N 3.11Å; E347-S350 WeakPolarHBondContact O-CB 3.38Å; E347-S350 PolarHBondContact O-N 3.08Å; E347-S350 WeakPolarHBondContact OE2-CB 3.42Å; E347-S350 PolarHBondContact OE2-OG 3.5Å; E347-Y351 HydrophobicContact CB-CD2 3.73Å; E347-Y351 HydrophobicContact CB-CE2 3.42Å; E347-Y351 VanDerWaalsContact CB-CE2 3.42Å; E347-Y351 HydrophobicContact CG-CE2 4.44Å; E347-Y351 VanDerWaalsContact O-CD2 3.22Å; E347-Y351 WeakPolarHBondContact O-CD2 3.48Å; E347-Y351 PolarHBondContact O-N 3.12Å
348R68.6Low61.9Low87 Ų8752.9 Ų52.933%0.32827%0.269SS..Hα-helixtrans-46.7-46.4178.1177-169.9171.7143.42.3111.6D280 L283 L344 V345 Y346 Y351 L352D280-R348 IonicContact OD1-CZ 3.49Å; D280-R348 IonicContact OD1-NH1 3.27Å; D280-R348 PolarHBondContact OD1-NH1 3.13Å; D280-R348 IonicContact OD1-NH2 3.54Å; D280-R348 VanDerWaalsContact OD2-CD 3.29Å; D280-R348 WeakPolarHBondContact OD2-CD 2.96Å; D280-R348 IonicContact OD2-CZ 3.58Å; D280-R348 IonicContact OD2-NE 3.75Å; D280-R348 IonicContact OD2-NH1 3.05Å; D280-R348 PolarHBondContact OD2-NH1 3.29Å; L283-R348 HydrophobicContact CD2-CB 4.25Å; L283-R348 HydrophobicContact CD2-CG 4.45Å; L344-R348 PolarHBondContact O-N 2.62Å; L344-R348 VanDerWaalsContact O-N 3.11Å; V345-R348 WeakPolarHBondContact O-CB 3.3Å; V345-R348 PolarHBondContact O-N 3.27Å; Y346-R348 PolarHBondContact O-N 2.85Å; R348-Y351 PolarHBondContact O-N 2.87Å; R348-L352 HydrophobicContact CG-CD1 3.56Å; R348-L352 HydrophobicContact CG-CG 4.17Å; R348-L352 VanDerWaalsContact O-CB 3.32Å; R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.3Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.07Å
349C63.3Low60.3Low101 Ų10152.8 Ų52.868%0.68228%0.275SS*.Hα-helixtrans-63-43.1-179.6-76.40000111.7E347 F353E347-C349 PolarHBondContact O-N 2.94Å; E347-C349 VanDerWaalsContact O-N 3.11Å; C349-F353 WeakPolarHBondContact O-CB 2.97Å; C349-F353 PolarHBondContact O-N 3.13Å
350S63.7Low58.8Low65 Ų6556.7 Ų56.746%0.45530%0.299SS..Hα-helixtrans-62.5-46.1176.4-62.50000112E347 F353 Q354E347-S350 WeakPolarHBondContact O-CB 3.38Å; E347-S350 PolarHBondContact O-N 3.08Å; E347-S350 WeakPolarHBondContact OE2-CB 3.42Å; E347-S350 PolarHBondContact OE2-OG 3.5Å; S350-F353 PolarHBondContact O-N 3.45Å; S350-Q354 PolarHBondContact O-N 2.93Å
351Y62.7Low57.2Low58 Ų5863.3 Ų63.323%0.22733%0.328CS..Hα-helixtrans-66-45-179.2-71.4-58.2000112.4E347 R348 F353 Q354E347-Y351 HydrophobicContact CB-CD2 3.73Å; E347-Y351 HydrophobicContact CB-CE2 3.42Å; E347-Y351 VanDerWaalsContact CB-CE2 3.42Å; E347-Y351 HydrophobicContact CG-CE2 4.44Å; E347-Y351 VanDerWaalsContact O-CD2 3.22Å; E347-Y351 WeakPolarHBondContact O-CD2 3.48Å; E347-Y351 PolarHBondContact O-N 3.12Å; R348-Y351 PolarHBondContact O-N 2.87Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; Y351-Q354 PolarHBondContact O-N 2.86Å
352L59.8Low55.5Low56 Ų5671 Ų7129%0.29336%0.362SS..Hα-helixtrans-69.7-32176.7-67.5177.1000111.8F286 R348 L355 T356F286-L352 HydrophobicContact CG-CD2 4.43Å; R348-L352 HydrophobicContact CG-CD1 3.56Å; R348-L352 HydrophobicContact CG-CG 4.17Å; R348-L352 VanDerWaalsContact O-CB 3.32Å; R348-L352 WeakPolarHBondContact O-CB 3.23Å; R348-L352 VanDerWaalsContact O-CG 3.3Å; R348-L352 WeakPolarHBondContact O-CG 3.38Å; R348-L352 PolarHBondContact O-N 3.07Å; L352-L355 VanDerWaalsContact O-CB 3.23Å; L352-L355 WeakPolarHBondContact O-CB 3.1Å; L352-L355 PolarHBondContact O-N 2.82Å; L352-L355 VanDerWaalsContact O-N 3.17Å; L352-T356 PolarHBondContact O-N 2.8Å; L352-T356 PolarHBondContact O-OG1 3.48Å
353F55.7Low54.1Low143 Ų14377.6 Ų77.663%0.62740%0.395SS*.Hα-helixtrans-70-36.4178.3-157.9-92.5000112.2C349 S350 Y351 L355 T356 V357C349-F353 WeakPolarHBondContact O-CB 2.97Å; C349-F353 PolarHBondContact O-N 3.13Å; S350-F353 PolarHBondContact O-N 3.45Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; F353-L355 PolarHBondContact O-N 2.95Å; F353-T356 WeakPolarHBondContact CA-OG1 3.18Å; F353-T356 PolarHBondContact O-N 3.39Å; F353-T356 VanDerWaalsContact O-N 3.09Å; F353-T356 PolarHBondContact O-OG1 3.09Å; F353-V357 HydrophobicContact CD1-CG2 4.17Å; F353-V357 HydrophobicContact CE1-CG2 4.1Å; F353-V357 PolarHBondContact O-N 2.84Å; F353-V357 VanDerWaalsContact O-N 3.15Å
354Q52.7Low52.8Low109 Ų10982.1 Ų82.151%0.50942%0.423SS..Hα-helixtrans-56.5-33.6170-83.2-176.1-18.900112S350 Y351 V357 L358S350-Q354 PolarHBondContact O-N 2.93Å; Y351-Q354 PolarHBondContact O-N 2.86Å; Q354-V357 PolarHBondContact O-N 2.96Å; Q354-L358 WeakPolarHBondContact O-CB 3.5Å; Q354-L358 PolarHBondContact O-N 2.88Å
355L45.8Very low51.1Low60 Ų6091.2 Ų91.231%0.31447%0.472SS..Hα-helixtrans-65.8-44174.6-159.4106.1000111.7F286 V290 L352 F353 V357 L358 T359F286-L355 HydrophobicContact CD2-CD1 3.75Å; F286-L355 HydrophobicContact CE2-CB 4.44Å; F286-L355 HydrophobicContact CE2-CD1 3.39Å; V290-L355 HydrophobicContact CG1-CD1 4.01Å; V290-L355 HydrophobicContact CG2-CD1 4.19Å; L352-L355 VanDerWaalsContact O-CB 3.23Å; L352-L355 WeakPolarHBondContact O-CB 3.1Å; L352-L355 PolarHBondContact O-N 2.82Å; L352-L355 VanDerWaalsContact O-N 3.17Å; F353-L355 PolarHBondContact O-N 2.95Å; L355-V357 VanDerWaalsContact C-N 3.29Å; L355-V357 PolarHBondContact O-N 3.28Å; L355-L358 PolarHBondContact O-N 3.25Å; L355-T359 HydrophobicContact CD2-CG2 4.16Å; L355-T359 HydrophobicContact CG-CG2 4.07Å; L355-T359 VanDerWaalsContact O-CB 3.31Å; L355-T359 WeakPolarHBondContact O-CB 3.11Å; L355-T359 WeakPolarHBondContact O-CG2 3.48Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 3.02Å
356T45.9Very low50.1Low70 Ų7095 Ų9543%0.42949%0.491SS..Hα-helixtrans-60.1-39.9175.95.20000111.8L352 F353 T359 V360L352-T356 PolarHBondContact O-N 2.8Å; L352-T356 PolarHBondContact O-OG1 3.48Å; F353-T356 WeakPolarHBondContact CA-OG1 3.18Å; F353-T356 PolarHBondContact O-N 3.39Å; F353-T356 VanDerWaalsContact O-N 3.09Å; F353-T356 PolarHBondContact O-OG1 3.09Å; T356-T359 WeakPolarHBondContact CA-OG1 3.44Å; T356-T359 PolarHBondContact O-OG1 3Å; T356-V360 WeakPolarHBondContact O-CB 3.44Å; T356-V360 WeakPolarHBondContact O-CG2 3.17Å; T356-V360 PolarHBondContact O-N 2.94Å
357V40.4Very low49.1Very low69 Ų6997 Ų9742%0.41851%0.505SS..Hα-helixtrans-70.3-43.3178.8-1790000111.1F353 Q354 L355 F361F353-V357 HydrophobicContact CD1-CG2 4.17Å; F353-V357 HydrophobicContact CE1-CG2 4.1Å; F353-V357 PolarHBondContact O-N 2.84Å; F353-V357 VanDerWaalsContact O-N 3.15Å; Q354-V357 PolarHBondContact O-N 2.96Å; L355-V357 VanDerWaalsContact C-N 3.29Å; L355-V357 PolarHBondContact O-N 3.28Å; V357-F361 HydrophobicContact CG1-CD2 4.19Å; V357-F361 HydrophobicContact CG1-CE2 4.43Å; V357-F361 WeakPolarHBondContact O-CD2 3.49Å; V357-F361 PolarHBondContact O-N 3.26Å
358L37.5Very low48.1Very low106 Ų106100.2 Ų100.256%0.55552%0.523SS*.Hα-helixtrans-69.5-41.3178.1-79.9162.1000112.8Q354 L355 F361 F362Q354-L358 WeakPolarHBondContact O-CB 3.5Å; Q354-L358 PolarHBondContact O-N 2.88Å; L355-L358 PolarHBondContact O-N 3.25Å; L358-F361 PolarHBondContact O-N 3.11Å; L358-F362 WeakPolarHBondContact O-CD2 3.05Å; L358-F362 PolarHBondContact O-N 3.28Å
359T40.1Very low46.9Very low57 Ų57101 Ų10135%0.3553%0.534SS..Hα-helixtrans-70.6-34.8176.6500000112.1L355 T356 F361 F362 I363L355-T359 HydrophobicContact CD2-CG2 4.16Å; L355-T359 HydrophobicContact CG-CG2 4.07Å; L355-T359 VanDerWaalsContact O-CB 3.31Å; L355-T359 WeakPolarHBondContact O-CB 3.11Å; L355-T359 WeakPolarHBondContact O-CG2 3.48Å; L355-T359 PolarHBondContact O-N 3.12Å; L355-T359 PolarHBondContact O-OG1 3.02Å; T356-T359 WeakPolarHBondContact CA-OG1 3.44Å; T356-T359 PolarHBondContact O-OG1 3Å; T359-F361 VanDerWaalsContact C-N 3.35Å; T359-F362 PolarHBondContact O-N 3.37Å; T359-I363 WeakPolarHBondContact O-CB 3.23Å; T359-I363 WeakPolarHBondContact O-CD1 3.46Å; T359-I363 WeakPolarHBondContact O-CG1 3.42Å; T359-I363 PolarHBondContact O-N 3.37Å
360V39Very low45.9Very low84 Ų84101 Ų10151%0.50953%0.525SS..Hα-helixtrans-65.9-38.6172.2170.30000111T356 I363 T364T356-V360 WeakPolarHBondContact O-CB 3.44Å; T356-V360 WeakPolarHBondContact O-CG2 3.17Å; T356-V360 PolarHBondContact O-N 2.94Å; V360-I363 PolarHBondContact O-N 3.45Å; V360-T364 WeakPolarHBondContact O-CG2 2.99Å; V360-T364 PolarHBondContact O-N 3.04Å; V360-T364 PolarHBondContact O-OG1 2.88Å
361F37.4Very low44.7Very low140 Ų140103.4 Ų103.461%0.61453%0.53SS*.Hα-helixtrans-67-36.5175.1-99.7-87000113.4V357 L358 T359 T364V357-F361 HydrophobicContact CG1-CD2 4.19Å; V357-F361 HydrophobicContact CG1-CE2 4.43Å; V357-F361 WeakPolarHBondContact O-CD2 3.49Å; V357-F361 PolarHBondContact O-N 3.26Å; L358-F361 PolarHBondContact O-N 3.11Å; T359-F361 VanDerWaalsContact C-N 3.35Å; F361-T364 PolarHBondContact O-OG1 2.86Å
362F38Very low43.5Very low163 Ų163106.6 Ų106.672%0.71555%0.551SS**Hα-helixtrans-82.9-9.8177.9-86.9-75.4000114.9L358 T359L358-F362 WeakPolarHBondContact O-CD2 3.05Å; L358-F362 PolarHBondContact O-N 3.28Å; T359-F362 PolarHBondContact O-N 3.37Å
363I43Very low42.2Very low138 Ų138110.5 Ų110.571%0.70857%0.571SS**Hα-helixtrans-94.6-9.8174.1-67.1167.1000111.1T359 V360T359-I363 WeakPolarHBondContact O-CB 3.23Å; T359-I363 WeakPolarHBondContact O-CD1 3.46Å; T359-I363 WeakPolarHBondContact O-CG1 3.42Å; T359-I363 PolarHBondContact O-N 3.37Å; V360-I363 PolarHBondContact O-N 3.45Å
364T39.5Very low41.1Very low102 Ų102107.8 Ų107.863%0.62657%0.566SS**  trans-102.64.1179.351.10000115.8V360 F361V360-T364 WeakPolarHBondContact O-CG2 2.99Å; V360-T364 PolarHBondContact O-N 3.04Å; V360-T364 PolarHBondContact O-OG1 2.88Å; F361-T364 PolarHBondContact O-OG1 2.86Å
365D33.5Very low40Very low196 Ų196107.7 Ų107.7100%1.04857%0.571SS**  trans-1140166.7-75.8-33.1000109.6

Retrieved 365 of 365 residues in 358.6 ms (Link to these results)

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