A0A077Z9B5_TRITR Loading...

Dihydropteridine reductase

Catalyzes the conversion of quinonoid dihydrobiopterin into tetrahydrobiopterin.

AlphaFold DB , UniProt , Accession A0A077Z9B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,282 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
1M37.9Very low78.9Confident239 Ų23963.5 Ų63.5100%1.17736%0.355SS*.  0128.50-75.717517800106.7V3M1-V3 PolarHBondContact O-N 3.29Å
2A40.4Very low80.1Confident99 Ų9958.3 Ų58.382%0.81833%0.325SS*.  trans-52.4130.5179.400000109.1Q4A2-Q4 VanDerWaalsContact C-N 3.28Å; A2-Q4 PolarHBondContact O-N 3.42Å
3V51.7Low81.1Confident122 Ų12257.9 Ų57.974%0.73933%0.326SS*.  trans-62.296.6176.71800000106M1M1-V3 PolarHBondContact O-N 3.29Å
4Q67.2Low81.8Confident113 Ų11356.2 Ų56.253%0.52833%0.328SS..  trans-82.1120.2179.1-160.3172.710.500106A2 R6 K28A2-Q4 VanDerWaalsContact C-N 3.28Å; A2-Q4 PolarHBondContact O-N 3.42Å; Q4-R6 WeakPolarHBondContact O-CG 3.44Å; Q4-R6 PolarHBondContact O-N 3.44Å; Q4-K28 PolarHBondContact NE2-O 3.5Å; Q4-K28 VanDerWaalsContact NE2-O 3.13Å
5D90.2Very high82.5Confident64 Ų6456.1 Ų56.134%0.34234%0.336SS..  trans-55.6135177.3-58.4-43.3000109.8W29 W30 D75D5-W29 HydrophobicContact CB-CD2 3.43Å; D5-W29 VanDerWaalsContact CB-CD2 3.43Å; D5-W29 VanDerWaalsContact CB-CE2 3.43Å; D5-W29 HydrophobicContact CB-CE3 3.6Å; D5-W29 HydrophobicContact CB-CG 4.01Å; D5-W29 HydrophobicContact CB-CH2 3.75Å; D5-W29 HydrophobicContact CB-CZ2 3.61Å; D5-W29 HydrophobicContact CB-CZ3 3.75Å; D5-W30 PolarHBondContact O-N 2.82Å; D5-D75 WeakPolarHBondContact CA-OD2 3.28Å
6R95.1Very high83.2Confident45 Ų4553.1 Ų53.117%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-124.3133.3-169.4-51.4-170.181.3162.2-6.8110.5Q4 W30 S72 V74 D75Q4-R6 WeakPolarHBondContact O-CG 3.44Å; Q4-R6 PolarHBondContact O-N 3.44Å; R6-W30 WeakPolarHBondContact CA-O 3.49Å; R6-W30 HydrophobicContact CB-CB 4.45Å; R6-W30 HydrophobicContact CB-CD2 4.5Å; R6-W30 HydrophobicContact CB-CE3 3.72Å; R6-W30 HydrophobicContact CB-CZ3 4.36Å; R6-W30 HydrophobicContact CG-CB 4.1Å; R6-W30 HydrophobicContact CG-CD2 4.49Å; R6-W30 HydrophobicContact CG-CE3 4.15Å; R6-W30 VanDerWaalsContact NH2-CE2 3.3Å; R6-W30 VanDerWaalsContact NH2-CZ2 3.3Å; R6-S72 PolarHBondContact NH1-OG 2.81Å; R6-V74 HydrophobicContact CB-CB 4.23Å; R6-V74 HydrophobicContact CB-CG1 3.87Å; R6-V74 WeakPolarHBondContact O-CB 3.32Å; R6-D75 PolarHBondContact N-OD2 3.19Å; R6-D75 WeakPolarHBondContact O-CB 3.35Å; R6-D75 PolarHBondContact O-N 2.92Å
7I96.4Very high83.9Confident0 Ų050.1 Ų50.10%030%0.299CS..EExtended strand (participates in β ladder)trans-136.3139.4-178168.7176.3000110.4I9 F24 W29 W30 T31 C32 A76 L78I7-I9 HydrophobicContact CD1-CD1 3.98Å; I7-I9 HydrophobicContact CD1-CG1 3.77Å; I7-I9 HydrophobicContact CG1-CD1 4.42Å; I7-I9 HydrophobicContact CG1-CG1 3.86Å; I7-F24 HydrophobicContact CD1-CD1 4.18Å; I7-F24 HydrophobicContact CD1-CD2 3.71Å; I7-F24 HydrophobicContact CD1-CE1 4.14Å; I7-F24 HydrophobicContact CD1-CE2 3.7Å; I7-F24 HydrophobicContact CD1-CG 3.98Å; I7-F24 HydrophobicContact CD1-CZ 3.93Å; I7-F24 HydrophobicContact CG2-CB 4.25Å; I7-F24 HydrophobicContact CG2-CD1 4.25Å; I7-F24 HydrophobicContact CG2-CG 4.25Å; I7-W29 HydrophobicContact CB-CE3 4.1Å; I7-W29 HydrophobicContact CG2-CB 4.22Å; I7-W29 HydrophobicContact CG2-CE3 3.76Å; I7-W30 VanDerWaalsContact CG2-O 3.31Å; I7-W30 WeakPolarHBondContact CG2-O 3.48Å; I7-W30 PolarHBondContact N-O 2.9Å; I7-T31 HydrophobicContact CG2-CG2 3.8Å; I7-C32 PolarHBondContact O-N 2.91Å; I7-A76 WeakPolarHBondContact CA-O 3.31Å; I7-L78 HydrophobicContact CD1-CD1 3.44Å; I7-L78 VanDerWaalsContact CD1-CD1 3.44Å; I7-L78 HydrophobicContact CD1-CG 3.77Å; I7-L78 HydrophobicContact CG1-CG 4.36Å
8I97.8Very high84.5Confident0 Ų049.6 Ų49.60%030%0.299CS..EExtended strand (participates in β ladder)trans-106.1129.9170-58.6175.9000108.6C32 I34 V65 V74 A76 I77 L78I8-C32 HydrophobicContact CG1-CB 4.14Å; I8-I34 HydrophobicContact CG2-CD1 3.5Å; I8-I34 HydrophobicContact CG2-CG1 3.99Å; I8-V65 HydrophobicContact CD1-CG1 3.73Å; I8-V74 HydrophobicContact CD1-CG1 4.1Å; I8-V74 HydrophobicContact CD1-CG2 4.08Å; I8-V74 HydrophobicContact CG1-CG1 4.07Å; I8-V74 HydrophobicContact CG1-CG2 4.31Å; I8-A76 PolarHBondContact N-O 3.4Å; I8-I77 HydrophobicContact CB-CG1 4.22Å; I8-I77 HydrophobicContact CB-CG2 4.38Å; I8-I77 HydrophobicContact CD1-CD1 4.22Å; I8-I77 HydrophobicContact CD1-CG1 4.34Å; I8-I77 HydrophobicContact CG2-CG2 4.46Å; I8-I77 CarbonylContact O-C 3.49Å; I8-I77 WeakPolarHBondContact O-CA 3.45Å; I8-L78 PolarHBondContact O-N 2.83Å
9I98Very high85.1Confident0 Ų049.4 Ų49.40%029%0.294CS..EExtended strand (participates in β ladder)trans-118.2104.6177.2-57.4171.4000108.4I7 L20 V21 C32 I34 L78 V80I7-I9 HydrophobicContact CD1-CD1 3.98Å; I7-I9 HydrophobicContact CD1-CG1 3.77Å; I7-I9 HydrophobicContact CG1-CD1 4.42Å; I7-I9 HydrophobicContact CG1-CG1 3.86Å; I9-L20 HydrophobicContact CD1-CB 3.78Å; I9-V21 HydrophobicContact CB-CG2 4.34Å; I9-V21 HydrophobicContact CD1-CB 4.34Å; I9-V21 HydrophobicContact CD1-CG2 3.64Å; I9-V21 HydrophobicContact CG2-CG2 4.47Å; I9-C32 PolarHBondContact N-O 3.18Å; I9-I34 PolarHBondContact O-N 3.1Å; I9-L78 CarbonylContact C-O 3.56Å; I9-L78 WeakPolarHBondContact CA-O 3.47Å; I9-V80 HydrophobicContact CG2-CG2 3.87Å
10Y97.5Very high85.7Confident7 Ų746.9 Ų46.93%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-81.4119.3171.7-154-46.1000109.2I34 V48 Q57 V61 L78 V80 A81 T108 I111Y10-I34 HydrophobicContact CD1-CB 4.26Å; Y10-I34 HydrophobicContact CD1-CG2 4.13Å; Y10-I34 HydrophobicContact CD2-CB 4.27Å; Y10-I34 HydrophobicContact CD2-CD1 3.84Å; Y10-I34 HydrophobicContact CD2-CG2 4.05Å; Y10-I34 HydrophobicContact CE1-CG2 3.96Å; Y10-I34 HydrophobicContact CE2-CD1 4.4Å; Y10-I34 HydrophobicContact CE2-CG2 3.91Å; Y10-I34 HydrophobicContact CG-CB 4.07Å; Y10-I34 HydrophobicContact CG-CD1 4.28Å; Y10-I34 HydrophobicContact CG-CG2 4.16Å; Y10-V48 HydrophobicContact CE1-CG2 4.4Å; Y10-Q57 PolarHBondContact OH-NE2 3.25Å; Y10-V61 HydrophobicContact CE2-CG1 4.05Å; Y10-L78 PolarHBondContact N-O 2.93Å; Y10-V80 CarbonylContact O-C 3.28Å; Y10-V80 WeakPolarHBondContact O-CG2 3.45Å; Y10-V80 PolarHBondContact O-N 3.13Å; Y10-A81 HydrophobicContact CD1-CB 3.79Å; Y10-A81 HydrophobicContact CE1-CB 4.32Å; Y10-A81 PolarHBondContact O-N 3.05Å; Y10-T108 HydrophobicContact CD1-CG2 4.12Å; Y10-T108 HydrophobicContact CE1-CG2 3.55Å; Y10-I111 HydrophobicContact CD2-CG2 4.46Å; Y10-I111 HydrophobicContact CE2-CB 4.01Å; Y10-I111 HydrophobicContact CE2-CD1 4.4Å; Y10-I111 HydrophobicContact CE2-CG2 3.76Å
11G95.5Very high86.2Confident10 Ų1044.7 Ų44.710%0.10327%0.266CS..THydrogen-bonded Turntrans95.324.8-17200000112.5T13 G14 G17 I34G11-T13 PolarHBondContact O-N 3.3Å; G11-G14 PolarHBondContact O-N 3.43Å; G11-G17 WeakPolarHBondContact O-CA 3.26Å; G11-I34 WeakPolarHBondContact CA-O 3.29Å; G11-I34 PolarHBondContact N-O 3.12Å
12G93.5Very high89Confident0 Ų037.3 Ų37.30%023%0.229CC..THydrogen-bonded Turntrans-61.8-5.6-17300000116.2G17 S18 S33 I34 N39G12-G17 CarbonylContact O-C 3.25Å; G12-S18 VanDerWaalsContact O-CA 3.31Å; G12-S18 WeakPolarHBondContact O-CA 3.38Å; G12-S18 PolarHBondContact O-N 3.2Å; G12-S33 WeakPolarHBondContact CA-OG 3.29Å; G12-I34 PolarHBondContact N-O 3.33Å; G12-N39 PolarHBondContact O-ND2 3.36Å
13T92.9Very high91.7Very high54 Ų5433.9 Ų33.933%0.33120%0.196SC..THydrogen-bonded Turntrans-105.4-5.3172.457.60000114.2G11 S18 K37 N39G11-T13 PolarHBondContact O-N 3.3Å; T13-S18 WeakPolarHBondContact CA-OG 3.44Å; T13-S18 PolarHBondContact O-OG 3.19Å; T13-K37 HydrophobicContact CG2-CB 4.17Å; T13-K37 WeakPolarHBondContact CG2-O 3.49Å; T13-N39 HydrophobicContact CG2-CB 4.06Å
14G91.4Very high93.7Very high34 Ų3428.1 Ų28.135%0.35116%0.161SC..SBendtrans-75.3168.9174.900000111.6G11 L16 G17 S18G11-G14 PolarHBondContact O-N 3.43Å; G14-L16 PolarHBondContact O-N 3.43Å; G14-G17 PolarHBondContact O-N 2.96Å; G14-G17 VanDerWaalsContact O-N 3.09Å; G14-S18 WeakPolarHBondContact O-CB 3.4Å; G14-S18 PolarHBondContact O-N 3.48Å; G14-S18 PolarHBondContact O-OG 2.65Å
15A91.9Very high94.9Very high54 Ų5424.4 Ų24.445%0.44615%0.147SC..Hα-helixtrans-54.4-48.1-174.300000113.7T181A15-T181 HydrophobicContact CB-CG2 3.51Å
16L93.6Very high95.1Very high9 Ų927.9 Ų27.95%0.04716%0.161CC..Hα-helixtrans-73.6-39.7174.6178.459.6000112.2G14 H19 L20 V80 I174 L179 L199 V202G14-L16 PolarHBondContact O-N 3.43Å; L16-H19 PolarHBondContact O-N 2.99Å; L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CD1-CG 4.13Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 HydrophobicContact CG-CG 4.32Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.16Å; L16-V80 HydrophobicContact CD2-CB 3.99Å; L16-V80 HydrophobicContact CD2-CG1 3.64Å; L16-V80 HydrophobicContact CG-CB 4.25Å; L16-V80 HydrophobicContact CG-CG1 4.1Å; L16-I174 HydrophobicContact CD2-CD1 4.36Å; L16-L179 HydrophobicContact CB-CD1 4.19Å; L16-L179 HydrophobicContact CD2-CD1 4.06Å; L16-L199 HydrophobicContact CB-CD2 4.29Å; L16-L199 HydrophobicContact CD1-CD2 3.94Å; L16-V202 HydrophobicContact CD1-CB 3.99Å; L16-V202 HydrophobicContact CD1-CG1 3.87Å; L16-V202 HydrophobicContact CD1-CG2 4.48Å; L16-V202 HydrophobicContact CD2-CG1 4.13Å
17G94.9Very high94.9Very high1 Ų130.8 Ų30.81%0.0118%0.176CC..Hα-helixtrans-64.4-43-177.700000113.7G11 G12 G14 H19 L20 V21G11-G17 WeakPolarHBondContact O-CA 3.26Å; G12-G17 CarbonylContact O-C 3.25Å; G14-G17 PolarHBondContact O-N 2.96Å; G14-G17 VanDerWaalsContact O-N 3.09Å; G17-H19 VanDerWaalsContact C-N 3.29Å; G17-H19 PolarHBondContact O-N 3.26Å; G17-L20 PolarHBondContact O-N 2.82Å; G17-V21 WeakPolarHBondContact O-CG2 3.46Å; G17-V21 PolarHBondContact O-N 2.85Å
18S95.2Very high94.7Very high42 Ų4239 Ų3929%0.29421%0.211SC..Hα-helixtrans-61.3-41.3175.8-53.20000111.2G12 T13 G14 V21 Q22G12-S18 VanDerWaalsContact O-CA 3.31Å; G12-S18 WeakPolarHBondContact O-CA 3.38Å; G12-S18 PolarHBondContact O-N 3.2Å; T13-S18 WeakPolarHBondContact CA-OG 3.44Å; T13-S18 PolarHBondContact O-OG 3.19Å; G14-S18 WeakPolarHBondContact O-CB 3.4Å; G14-S18 PolarHBondContact O-N 3.48Å; G14-S18 PolarHBondContact O-OG 2.65Å; S18-V21 PolarHBondContact O-N 2.6Å; S18-Q22 WeakPolarHBondContact O-CB 3.03Å; S18-Q22 PolarHBondContact O-N 3.15Å
19H96Very high94.5Very high45 Ų4539.9 Ų39.921%0.20821%0.214CC..Hα-helixtrans-65-42.9176.5-163.178.8000111.5L16 G17 Q22 F23 L199 D200L16-H19 PolarHBondContact O-N 2.99Å; G17-H19 VanDerWaalsContact C-N 3.29Å; G17-H19 PolarHBondContact O-N 3.26Å; H19-Q22 PolarHBondContact O-N 2.86Å; H19-F23 VanDerWaalsContact O-CB 3.25Å; H19-F23 WeakPolarHBondContact O-CB 3.48Å; H19-F23 PolarHBondContact O-N 2.98Å; H19-L199 HydrophobicContact CB-CB 4.22Å; H19-L199 HydrophobicContact CB-CD1 4.09Å; H19-D200 IonicContact CD2-OD1 2.72Å; H19-D200 IonicContact CE1-OD1 3.97Å; H19-D200 PolarHBondContact CE1-OD1 2.74Å; H19-D200 IonicContact NE2-OD1 3.86Å; H19-D200 PolarHBondContact NE2-OD1 2.91Å
20L96.8Very high94.3Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-64.1-45.8175.3-70.7169.2000111.8I9 L16 G17 Q22 F23 F24 L78 V80 A203 L206I9-L20 HydrophobicContact CD1-CB 3.78Å; L16-L20 HydrophobicContact CD1-CD1 4.19Å; L16-L20 HydrophobicContact CD1-CG 4.13Å; L16-L20 HydrophobicContact CG-CD1 3.91Å; L16-L20 HydrophobicContact CG-CG 4.32Å; L16-L20 WeakPolarHBondContact O-CG 3.46Å; L16-L20 PolarHBondContact O-N 3.16Å; G17-L20 PolarHBondContact O-N 2.82Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 3.44Å; L20-F23 PolarHBondContact O-N 2.91Å; L20-F24 HydrophobicContact CD2-CE2 4.07Å; L20-F24 VanDerWaalsContact O-CD2 3.29Å; L20-F24 WeakPolarHBondContact O-CD2 3.14Å; L20-F24 PolarHBondContact O-N 3.05Å; L20-L78 HydrophobicContact CD1-CD1 4.07Å; L20-L78 HydrophobicContact CD2-CD1 4.34Å; L20-V80 HydrophobicContact CD1-CB 4.46Å; L20-V80 HydrophobicContact CD1-CG1 3.71Å; L20-V80 HydrophobicContact CD1-CG2 4.09Å; L20-A203 HydrophobicContact CD2-CB 3.77Å; L20-L206 HydrophobicContact CD1-CD1 4.46Å; L20-L206 HydrophobicContact CD2-CD1 4.19Å
21V96.6Very high94.2Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-57.5-48176.3171.60000109.9I9 G17 S18 S25 L41 A42I9-V21 HydrophobicContact CB-CG2 4.34Å; I9-V21 HydrophobicContact CD1-CB 4.34Å; I9-V21 HydrophobicContact CD1-CG2 3.64Å; I9-V21 HydrophobicContact CG2-CG2 4.47Å; G17-V21 WeakPolarHBondContact O-CG2 3.46Å; G17-V21 PolarHBondContact O-N 2.85Å; S18-V21 PolarHBondContact O-N 2.6Å; V21-S25 WeakPolarHBondContact O-CB 2.88Å; V21-S25 PolarHBondContact O-N 3.24Å; V21-S25 PolarHBondContact O-OG 3.46Å; V21-S25 VanDerWaalsContact O-OG 3.07Å; V21-L41 HydrophobicContact CG1-CB 3.96Å; V21-A42 HydrophobicContact CG1-CB 3.88Å
22Q96.3Very high94.3Very high84 Ų8440.6 Ų40.639%0.39321%0.214SC..Hα-helixtrans-60-48.2177.1-178.3177.6-4.700111.9S18 H19 L20 S25 Q26 L41S18-Q22 WeakPolarHBondContact O-CB 3.03Å; S18-Q22 PolarHBondContact O-N 3.15Å; H19-Q22 PolarHBondContact O-N 2.86Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 3.44Å; Q22-S25 PolarHBondContact O-N 2.97Å; Q22-Q26 WeakPolarHBondContact O-CB 3.18Å; Q22-Q26 VanDerWaalsContact O-CG 3.26Å; Q22-Q26 WeakPolarHBondContact O-CG 3.26Å; Q22-Q26 PolarHBondContact O-N 2.91Å; Q22-L41 HydrophobicContact CB-CD1 4.01Å; Q22-L41 HydrophobicContact CG-CD1 4.22Å
23F96.5Very high94.5Very high28 Ų2840.6 Ų40.612%0.12321%0.214CC..Hα-helixtrans-60.3-48.9-178.8-175-84.7000112H19 L20 Q26 K27 A203 Y207H19-F23 VanDerWaalsContact O-CB 3.25Å; H19-F23 WeakPolarHBondContact O-CB 3.48Å; H19-F23 PolarHBondContact O-N 2.98Å; L20-F23 PolarHBondContact O-N 2.91Å; F23-Q26 PolarHBondContact O-N 3.33Å; F23-K27 HydrophobicContact CE1-CG 4.4Å; F23-K27 WeakPolarHBondContact O-CG 3.31Å; F23-K27 PolarHBondContact O-N 2.98Å; F23-A203 HydrophobicContact CB-CB 4.09Å; F23-A203 HydrophobicContact CD1-CB 4.01Å; F23-A203 HydrophobicContact CD2-CB 3.73Å; F23-A203 HydrophobicContact CE1-CB 4.39Å; F23-A203 HydrophobicContact CE2-CB 4.11Å; F23-A203 HydrophobicContact CG-CB 3.67Å; F23-A203 HydrophobicContact CZ-CB 4.43Å; F23-Y207 HydrophobicContact CE1-CD2 4.06Å; F23-Y207 AromaticContact CE1-CG 3.96Å; F23-Y207 HydrophobicContact CE1-CG 3.96Å
24F95.1Very high94.7Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-72.2-37.5-179.7-80.4-81000112.5I7 L20 Q26 K27 K28 W29 T31 L78 Y207 I210I7-F24 HydrophobicContact CD1-CD1 4.18Å; I7-F24 HydrophobicContact CD1-CD2 3.71Å; I7-F24 HydrophobicContact CD1-CE1 4.14Å; I7-F24 HydrophobicContact CD1-CE2 3.7Å; I7-F24 HydrophobicContact CD1-CG 3.98Å; I7-F24 HydrophobicContact CD1-CZ 3.93Å; I7-F24 HydrophobicContact CG2-CB 4.25Å; I7-F24 HydrophobicContact CG2-CD1 4.25Å; I7-F24 HydrophobicContact CG2-CG 4.25Å; L20-F24 HydrophobicContact CD2-CE2 4.07Å; L20-F24 VanDerWaalsContact O-CD2 3.29Å; L20-F24 WeakPolarHBondContact O-CD2 3.14Å; L20-F24 PolarHBondContact O-N 3.05Å; F24-Q26 VanDerWaalsContact C-N 3.31Å; F24-Q26 PolarHBondContact O-N 3.42Å; F24-K27 CarbonylContact O-C 3.45Å; F24-K27 WeakPolarHBondContact O-CA 3.48Å; F24-K27 WeakPolarHBondContact O-CB 3.46Å; F24-K27 PolarHBondContact O-N 3.33Å; F24-K28 PolarHBondContact O-N 2.97Å; F24-W29 HydrophobicContact CB-CB 4.18Å; F24-W29 HydrophobicContact CD1-CB 4.3Å; F24-W29 AromaticContact CD1-CD2 3.65Å; F24-W29 HydrophobicContact CD1-CD2 3.65Å; F24-W29 AromaticContact CD1-CE3 3.7Å; F24-W29 HydrophobicContact CD1-CE3 3.7Å; F24-W29 AromaticContact CD1-CG 3.92Å; F24-W29 HydrophobicContact CD1-CG 3.92Å; F24-W29 HydrophobicContact CD1-CZ3 4.36Å; F24-W29 HydrophobicContact CE1-CD2 4.11Å; F24-W29 AromaticContact CE1-CE3 3.93Å; F24-W29 HydrophobicContact CE1-CE3 3.93Å; F24-W29 HydrophobicContact CE1-CH2 4.48Å; F24-W29 HydrophobicContact CE1-CZ3 4.12Å; F24-W29 WeakPolarHBondContact O-CB 3.45Å; F24-W29 PolarHBondContact O-N 3.47Å; F24-W29 VanDerWaalsContact O-N 3.1Å; F24-T31 HydrophobicContact CB-CG2 3.66Å; F24-L78 HydrophobicContact CE2-CD1 4.07Å; F24-Y207 HydrophobicContact CD1-CD2 4.29Å; F24-Y207 AromaticContact CE1-CD2 3.73Å; F24-Y207 HydrophobicContact CE1-CD2 3.73Å; F24-Y207 HydrophobicContact CZ-CD2 4.33Å; F24-I210 HydrophobicContact CE1-CD1 3.97Å; F24-I210 HydrophobicContact CZ-CD1 3.67Å
25S92.5Very high94.8Very high36 Ų3636.7 Ų36.725%0.25219%0.185SC..Hα-helixtrans-62.7-37.6173.5-710000111.7V21 Q22 K27 K28 T31 L41V21-S25 WeakPolarHBondContact O-CB 2.88Å; V21-S25 PolarHBondContact O-N 3.24Å; V21-S25 PolarHBondContact O-OG 3.46Å; V21-S25 VanDerWaalsContact O-OG 3.07Å; Q22-S25 PolarHBondContact O-N 2.97Å; S25-K27 VanDerWaalsContact C-N 3.25Å; S25-K27 PolarHBondContact O-N 3.18Å; S25-K28 WeakPolarHBondContact O-CA 3.33Å; S25-K28 PolarHBondContact O-N 2.91Å; S25-T31 PolarHBondContact OG-OG1 2.78Å; S25-L41 PolarHBondContact OG-O 3.1Å
26Q93.1Very high94.8Very high136 Ų13640.2 Ų40.264%0.63619%0.19SC*.Hα-helixtrans-63.3-29.6172.4-76.2175.2-1.800113Q22 F23 F24 K28Q22-Q26 WeakPolarHBondContact O-CB 3.18Å; Q22-Q26 VanDerWaalsContact O-CG 3.26Å; Q22-Q26 WeakPolarHBondContact O-CG 3.26Å; Q22-Q26 PolarHBondContact O-N 2.91Å; F23-Q26 PolarHBondContact O-N 3.33Å; F24-Q26 VanDerWaalsContact C-N 3.31Å; F24-Q26 PolarHBondContact O-N 3.42Å; Q26-K28 PolarHBondContact O-N 3.15Å
27K91.6Very high94.7Very high107 Ų10747.3 Ų47.347%0.46522%0.22SC..THydrogen-bonded Turntrans-81.35172.6-63-68.7-176.9-179.70113.5F23 F24 S25 W29 Y207F23-K27 HydrophobicContact CE1-CG 4.4Å; F23-K27 WeakPolarHBondContact O-CG 3.31Å; F23-K27 PolarHBondContact O-N 2.98Å; F24-K27 CarbonylContact O-C 3.45Å; F24-K27 WeakPolarHBondContact O-CA 3.48Å; F24-K27 WeakPolarHBondContact O-CB 3.46Å; F24-K27 PolarHBondContact O-N 3.33Å; S25-K27 VanDerWaalsContact C-N 3.25Å; S25-K27 PolarHBondContact O-N 3.18Å; K27-W29 VanDerWaalsContact C-N 3.28Å; K27-W29 PolarHBondContact O-N 3.46Å; K27-Y207 HydrophobicContact CB-CE2 4.26Å; K27-Y207 HydrophobicContact CD-CE2 4.29Å; K27-Y207 HydrophobicContact CG-CD2 4.45Å; K27-Y207 HydrophobicContact CG-CE2 3.97Å
28K91.5Very high94.7Very high171 Ų17153.6 Ų53.674%0.74325%0.247SC*.THydrogen-bonded Turntrans65.421.9-177.4-54.8-169.3176.6-175.20115.3Q4 F24 S25 Q26Q4-K28 PolarHBondContact NE2-O 3.5Å; Q4-K28 VanDerWaalsContact NE2-O 3.13Å; F24-K28 PolarHBondContact O-N 2.97Å; S25-K28 WeakPolarHBondContact O-CA 3.33Å; S25-K28 PolarHBondContact O-N 2.91Å; Q26-K28 PolarHBondContact O-N 3.15Å
29W93.6Very high94.6Very high19 Ų1952.4 Ų52.47%0.07224%0.238CC..  trans-74.7148.2173.4-7441000110.4D5 I7 F24 K27 T31 D75 Y207 I210D5-W29 HydrophobicContact CB-CD2 3.43Å; D5-W29 VanDerWaalsContact CB-CD2 3.43Å; D5-W29 VanDerWaalsContact CB-CE2 3.43Å; D5-W29 HydrophobicContact CB-CE3 3.6Å; D5-W29 HydrophobicContact CB-CG 4.01Å; D5-W29 HydrophobicContact CB-CH2 3.75Å; D5-W29 HydrophobicContact CB-CZ2 3.61Å; D5-W29 HydrophobicContact CB-CZ3 3.75Å; I7-W29 HydrophobicContact CB-CE3 4.1Å; I7-W29 HydrophobicContact CG2-CB 4.22Å; I7-W29 HydrophobicContact CG2-CE3 3.76Å; F24-W29 HydrophobicContact CB-CB 4.18Å; F24-W29 HydrophobicContact CD1-CB 4.3Å; F24-W29 AromaticContact CD1-CD2 3.65Å; F24-W29 HydrophobicContact CD1-CD2 3.65Å; F24-W29 AromaticContact CD1-CE3 3.7Å; F24-W29 HydrophobicContact CD1-CE3 3.7Å; F24-W29 AromaticContact CD1-CG 3.92Å; F24-W29 HydrophobicContact CD1-CG 3.92Å; F24-W29 HydrophobicContact CD1-CZ3 4.36Å; F24-W29 HydrophobicContact CE1-CD2 4.11Å; F24-W29 AromaticContact CE1-CE3 3.93Å; F24-W29 HydrophobicContact CE1-CE3 3.93Å; F24-W29 HydrophobicContact CE1-CH2 4.48Å; F24-W29 HydrophobicContact CE1-CZ3 4.12Å; F24-W29 WeakPolarHBondContact O-CB 3.45Å; F24-W29 PolarHBondContact O-N 3.47Å; F24-W29 VanDerWaalsContact O-N 3.1Å; K27-W29 VanDerWaalsContact C-N 3.28Å; K27-W29 PolarHBondContact O-N 3.46Å; W29-T31 PolarHBondContact O-N 3.03Å; W29-D75 HydrophobicContact CH2-CB 4.36Å; W29-D75 HydrophobicContact CZ3-CB 3.98Å; W29-Y207 HydrophobicContact CZ2-CE2 4.17Å; W29-Y207 AromaticContact NE1-CE2 3.9Å; W29-I210 HydrophobicContact CH2-CB 4.34Å; W29-I210 HydrophobicContact CH2-CG2 3.5Å; W29-I210 VanDerWaalsContact CH2-CG2 3.5Å; W29-I210 HydrophobicContact CZ3-CG2 3.85Å
30W95.1Very high94.5Very high32 Ų3256.3 Ų56.312%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-75.5121.9168.2-179.190.4000109.1D5 R6 I7 C32 S43 C44 A68 V69 V74D5-W30 PolarHBondContact O-N 2.82Å; R6-W30 WeakPolarHBondContact CA-O 3.49Å; R6-W30 HydrophobicContact CB-CB 4.45Å; R6-W30 HydrophobicContact CB-CD2 4.5Å; R6-W30 HydrophobicContact CB-CE3 3.72Å; R6-W30 HydrophobicContact CB-CZ3 4.36Å; R6-W30 HydrophobicContact CG-CB 4.1Å; R6-W30 HydrophobicContact CG-CD2 4.49Å; R6-W30 HydrophobicContact CG-CE3 4.15Å; R6-W30 VanDerWaalsContact NH2-CE2 3.3Å; R6-W30 VanDerWaalsContact NH2-CZ2 3.3Å; I7-W30 VanDerWaalsContact CG2-O 3.31Å; I7-W30 WeakPolarHBondContact CG2-O 3.48Å; I7-W30 PolarHBondContact N-O 2.9Å; W30-C32 HydrophobicContact CE3-CB 4.49Å; W30-C32 HydrophobicContact CH2-CB 3.64Å; W30-C32 HydrophobicContact CZ2-CB 4.41Å; W30-C32 HydrophobicContact CZ3-CB 3.68Å; W30-S43 VanDerWaalsContact CD1-CB 3.44Å; W30-C44 HydrophobicContact CZ2-CB 4.47Å; W30-C44 WeakPolarHBondContact CZ2-SG 3.48Å; W30-A68 WeakPolarHBondContact CZ2-O 3.41Å; W30-V69 HydrophobicContact CH2-CG1 4.32Å; W30-V69 HydrophobicContact CZ3-CG1 4.37Å; W30-V74 HydrophobicContact CZ3-CG1 4.46Å
31T95.4Very high94.4Very high0 Ų061 Ų610%029%0.285CS..EExtended strand (participates in β ladder)trans-117.7120.8-173.449.10000110.9I7 F24 S25 W29 A42 S43 C44I7-T31 HydrophobicContact CG2-CG2 3.8Å; F24-T31 HydrophobicContact CB-CG2 3.66Å; S25-T31 PolarHBondContact OG-OG1 2.78Å; W29-T31 PolarHBondContact O-N 3.03Å; T31-A42 WeakPolarHBondContact OG1-CA 3.42Å; T31-S43 PolarHBondContact N-OG 3.22Å; T31-S43 VanDerWaalsContact N-OG 3.1Å; T31-S43 WeakPolarHBondContact O-CA 3.42Å; T31-S43 WeakPolarHBondContact O-CB 3.42Å; T31-S43 PolarHBondContact O-N 3.07Å; T31-S43 PolarHBondContact OG1-N 3.48Å; T31-C44 PolarHBondContact O-N 2.91Å
32C96.6Very high94.3Very high1 Ų161.7 Ų61.71%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-101.5113.9169.4179.10000110I7 I8 I9 W30 C44I7-C32 PolarHBondContact O-N 2.91Å; I8-C32 HydrophobicContact CG1-CB 4.14Å; I9-C32 PolarHBondContact N-O 3.18Å; W30-C32 HydrophobicContact CE3-CB 4.49Å; W30-C32 HydrophobicContact CH2-CB 3.64Å; W30-C32 HydrophobicContact CZ2-CB 4.41Å; W30-C32 HydrophobicContact CZ3-CB 3.68Å; C32-C44 VanDerWaalsContact CB-SG 3.5Å
33S97.4Very high94.2Very high0 Ų060.9 Ų60.90%029%0.294CS..EExtended strand (participates in β ladder)trans-92.5120176.2170.80000110.6G12 C44 N45 V46G12-S33 WeakPolarHBondContact CA-OG 3.29Å; S33-C44 PolarHBondContact N-O 3.46Å; S33-N45 CarbonylContact O-C 3.51Å; S33-N45 VanDerWaalsContact O-CA 3.29Å; S33-N45 WeakPolarHBondContact O-CA 3.38Å; S33-V46 PolarHBondContact O-N 3.42Å
34I97.6Very high94.1Very high0 Ų060.9 Ų60.90%030%0.297CS..EExtended strand (participates in β ladder)trans-101.1126171.6-47.7175.5000108.4I8 I9 Y10 G11 G12 V46 V48 V61 V65 L115I8-I34 HydrophobicContact CG2-CD1 3.5Å; I8-I34 HydrophobicContact CG2-CG1 3.99Å; I9-I34 PolarHBondContact O-N 3.1Å; Y10-I34 HydrophobicContact CD1-CB 4.26Å; Y10-I34 HydrophobicContact CD1-CG2 4.13Å; Y10-I34 HydrophobicContact CD2-CB 4.27Å; Y10-I34 HydrophobicContact CD2-CD1 3.84Å; Y10-I34 HydrophobicContact CD2-CG2 4.05Å; Y10-I34 HydrophobicContact CE1-CG2 3.96Å; Y10-I34 HydrophobicContact CE2-CD1 4.4Å; Y10-I34 HydrophobicContact CE2-CG2 3.91Å; Y10-I34 HydrophobicContact CG-CB 4.07Å; Y10-I34 HydrophobicContact CG-CD1 4.28Å; Y10-I34 HydrophobicContact CG-CG2 4.16Å; G11-I34 WeakPolarHBondContact CA-O 3.29Å; G11-I34 PolarHBondContact N-O 3.12Å; G12-I34 PolarHBondContact N-O 3.33Å; I34-V46 WeakPolarHBondContact CA-O 3.31Å; I34-V46 HydrophobicContact CB-CB 4.46Å; I34-V46 HydrophobicContact CG1-CB 4.13Å; I34-V46 HydrophobicContact CG2-CB 4.28Å; I34-V46 HydrophobicContact CG2-CG1 4.19Å; I34-V48 HydrophobicContact CG2-CG2 3.5Å; I34-V61 HydrophobicContact CD1-CG1 4.14Å; I34-V61 HydrophobicContact CG2-CG1 3.98Å; I34-V65 HydrophobicContact CD1-CG2 3.61Å; I34-V65 HydrophobicContact CG1-CG2 4.24Å; I34-L115 HydrophobicContact CD1-CD1 3.77Å
35G93.9Very high94.1Very high6 Ų662.7 Ų62.76%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-178.4174.9179.700000114.5K37 V46 L47 V48G35-K37 PolarHBondContact O-N 3.5Å; G35-V46 PolarHBondContact N-O 2.98Å; G35-L47 WeakPolarHBondContact O-CA 3.45Å; G35-V48 PolarHBondContact O-N 3.48Å
36K90.8Very high94.3Very high127 Ų12761 Ų6155%0.55230%0.295SS*.SBendtrans-71.2-17.9178-68.1-170171.6-167.60113.6D50K36-D50 WeakPolarHBondContact CE-OD1 3.2Å; K36-D50 IonicContact NZ-OD1 3.61Å; K36-D50 PolarHBondContact NZ-OD1 3.28Å; K36-D50 IonicContact NZ-OD2 2.69Å; K36-D50 PolarHBondContact NZ-OD2 2.77Å
37K92.9Very high94.5Very high159 Ų15959.7 Ų59.769%0.69129%0.292SS*.SBendtrans-130.2156.9-179.7-64.2-177-178-1780108.9T13 G35T13-K37 HydrophobicContact CG2-CB 4.17Å; T13-K37 WeakPolarHBondContact CG2-O 3.49Å; G35-K37 PolarHBondContact O-N 3.5Å
38K94Very high94.5Very high132 Ų13255.3 Ų55.357%0.57427%0.274SS*.  trans-72.2138.3173.6-165.5-173.2173.3-146.30110D40 N45K38-D40 WeakPolarHBondContact CD-OD1 3.31Å; K38-D40 WeakPolarHBondContact CE-OD1 3.49Å; K38-D40 IonicContact NZ-OD1 3.6Å; K38-D40 PolarHBondContact NZ-OD1 3.32Å; K38-N45 HydrophobicContact CG-CB 4.03Å
39N94.3Very high94.4Very high17 Ų1754 Ų549%0.09127%0.27CS..  trans-105112.2164.8-172.7-30.3000108.5G12 T13 L41 A42 N45G12-N39 PolarHBondContact O-ND2 3.36Å; T13-N39 HydrophobicContact CG2-CB 4.06Å; N39-L41 PolarHBondContact O-N 3Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.08Å; N39-A42 HydrophobicContact CB-CB 4.37Å; N39-A42 WeakPolarHBondContact O-CB 3.39Å; N39-A42 PolarHBondContact O-N 2.71Å; N39-N45 PolarHBondContact N-OD1 2.85Å; N39-N45 PolarHBondContact O-ND2 3.25Å; N39-N45 PolarHBondContact O-OD1 3.41Å
40D93.8Very high93.9Very high128 Ų12859.1 Ų59.168%0.68430%0.299SS*.THydrogen-bonded Turntrans-71.8-12.9-175.3-64.8-48.7000113.9K38K38-D40 WeakPolarHBondContact CD-OD1 3.31Å; K38-D40 WeakPolarHBondContact CE-OD1 3.49Å; K38-D40 IonicContact NZ-OD1 3.6Å; K38-D40 PolarHBondContact NZ-OD1 3.32Å
41L94Very high93.7Very high99 Ų9958.6 Ų58.652%0.51830%0.3SS..THydrogen-bonded Turntrans-84.2-11.3173.8-63.3174000113.1V21 Q22 S25 N39V21-L41 HydrophobicContact CG1-CB 3.96Å; Q22-L41 HydrophobicContact CB-CD1 4.01Å; Q22-L41 HydrophobicContact CG-CD1 4.22Å; S25-L41 PolarHBondContact OG-O 3.1Å; N39-L41 PolarHBondContact O-N 3Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.08Å
42A93.8Very high93.4Very high14 Ų1465.5 Ų65.512%0.11633%0.332CS..SBendtrans-82.3145.4179.400000111.4V21 T31 N39 C44V21-A42 HydrophobicContact CG1-CB 3.88Å; T31-A42 WeakPolarHBondContact OG1-CA 3.42Å; N39-A42 HydrophobicContact CB-CB 4.37Å; N39-A42 WeakPolarHBondContact O-CB 3.39Å; N39-A42 PolarHBondContact O-N 2.71Å; A42-C44 VanDerWaalsContact C-N 3.27Å; A42-C44 WeakPolarHBondContact CB-O 3.42Å; A42-C44 PolarHBondContact O-N 3.47Å
43S93.9Very high93.2Very high66 Ų6671.2 Ų71.246%0.46236%0.359SS..SBendtrans-63.1-34.8176.3-54.90000112.4W30 T31W30-S43 VanDerWaalsContact CD1-CB 3.44Å; T31-S43 PolarHBondContact N-OG 3.22Å; T31-S43 VanDerWaalsContact N-OG 3.1Å; T31-S43 WeakPolarHBondContact O-CA 3.42Å; T31-S43 WeakPolarHBondContact O-CB 3.42Å; T31-S43 PolarHBondContact O-N 3.07Å; T31-S43 PolarHBondContact OG1-N 3.48Å
44C94.4Very high93.1Very high29 Ų2974.7 Ų74.720%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-148.3164.7169660000110.6W30 T31 C32 S33 A42W30-C44 HydrophobicContact CZ2-CB 4.47Å; W30-C44 WeakPolarHBondContact CZ2-SG 3.48Å; T31-C44 PolarHBondContact O-N 2.91Å; C32-C44 VanDerWaalsContact CB-SG 3.5Å; S33-C44 PolarHBondContact N-O 3.46Å; A42-C44 VanDerWaalsContact C-N 3.27Å; A42-C44 WeakPolarHBondContact CB-O 3.42Å; A42-C44 PolarHBondContact O-N 3.47Å
45N96.7Very high93Very high38 Ų3879.1 Ų79.120%0.20340%0.4CS..EExtended strand (participates in β ladder)trans-131137.8-178.6-74.4-91.4000110.3S33 K38 N39S33-N45 CarbonylContact O-C 3.51Å; S33-N45 VanDerWaalsContact O-CA 3.29Å; S33-N45 WeakPolarHBondContact O-CA 3.38Å; K38-N45 HydrophobicContact CG-CB 4.03Å; N39-N45 PolarHBondContact N-OD1 2.85Å; N39-N45 PolarHBondContact O-ND2 3.25Å; N39-N45 PolarHBondContact O-OD1 3.41Å
46V96.6Very high93Very high1 Ų184.2 Ų84.21%0.00642%0.421CS..EExtended strand (participates in β ladder)trans-112.6116.7168.1172.80000107.6S33 I34 G35 V61 E64 V65 A68S33-V46 PolarHBondContact O-N 3.42Å; I34-V46 WeakPolarHBondContact CA-O 3.31Å; I34-V46 HydrophobicContact CB-CB 4.46Å; I34-V46 HydrophobicContact CG1-CB 4.13Å; I34-V46 HydrophobicContact CG2-CB 4.28Å; I34-V46 HydrophobicContact CG2-CG1 4.19Å; G35-V46 PolarHBondContact N-O 2.98Å; V46-V61 HydrophobicContact CG1-CG1 4.41Å; V46-E64 HydrophobicContact CB-CB 4.35Å; V46-E64 HydrophobicContact CG1-CB 3.54Å; V46-E64 HydrophobicContact CG1-CG 4.38Å; V46-E64 HydrophobicContact CG2-CB 4.01Å; V46-V65 HydrophobicContact CG1-CG2 4.45Å; V46-V65 HydrophobicContact CG2-CG2 3.93Å; V46-A68 HydrophobicContact CG2-CB 4.49Å
47L95.7Very high93.2Very high108 Ų10879.1 Ų79.157%0.56540%0.399SS*.EExtended strand (participates in β ladder)trans-85.5130.2-179.1-67.2176.6000110.3G35G35-L47 WeakPolarHBondContact O-CA 3.45Å
48V93.6Very high93.4Very high15 Ų1572.3 Ų72.39%0.09137%0.372CS..PPolyproline II helixtrans-99116.7178.8-175.10000109Y10 I34 G35 Q57 V61Y10-V48 HydrophobicContact CE1-CG2 4.4Å; I34-V48 HydrophobicContact CG2-CG2 3.5Å; G35-V48 PolarHBondContact O-N 3.48Å; V48-Q57 HydrophobicContact CG1-CG 3.79Å; V48-V61 HydrophobicContact CG1-CG2 4.42Å; V48-V61 HydrophobicContact CG2-CG2 3.95Å
49E88.2Confident93.5Very high142 Ų14271 Ų7166%0.66437%0.372SS*.PPolyproline II helixtrans-67.9146.3171.5-78.4-170.115700111.8T51E49-T51 PolarHBondContact O-N 3Å
50D83.8Confident93.6Very high127 Ų12772.8 Ų72.868%0.67939%0.389SS*.  trans-81.7103.6173.3-137-2.7000109.1K36K36-D50 WeakPolarHBondContact CE-OD1 3.2Å; K36-D50 IonicContact NZ-OD1 3.61Å; K36-D50 PolarHBondContact NZ-OD1 3.28Å; K36-D50 IonicContact NZ-OD2 2.69Å; K36-D50 PolarHBondContact NZ-OD2 2.77Å
51T89.6Confident93.7Very high21 Ų2166.8 Ų66.813%0.12936%0.357CS..  trans-129.5153.5-177.7177.50000111.5E49 E53 Q57 K103E49-T51 PolarHBondContact O-N 3Å; T51-E53 PolarHBondContact OG1-N 3Å; T51-Q57 HydrophobicContact CG2-CB 3.56Å; T51-Q57 HydrophobicContact CG2-CG 4.03Å; T51-K103 PolarHBondContact O-NZ 3.28Å
52E89.1Confident93.8Very high146 Ų14662.8 Ų62.868%0.68234%0.336SS*.SBendtrans-87.1-8.3169.9-66.9-62.3140.800112.5K103 W107E52-K103 IonicContact OE1-NZ 3.8Å; E52-K103 PolarHBondContact OE1-NZ 3.16Å; E52-K103 WeakPolarHBondContact OE2-CE 3.31Å; E52-K103 IonicContact OE2-NZ 3.51Å; E52-K103 PolarHBondContact OE2-NZ 2.69Å; E52-W107 WeakPolarHBondContact O-CH2 3.49Å
53E93.7Very high93.9Very high121 Ų12165 Ų6557%0.56535%0.351SS*.  trans-101.6106-179.1-69178.6-173.200111.8T51 V55 K56 Q57T51-E53 PolarHBondContact OG1-N 3Å; E53-V55 PolarHBondContact O-N 3.21Å; E53-K56 HydrophobicContact CB-CB 3.83Å; E53-K56 PolarHBondContact O-N 3.48Å; E53-K56 WeakPolarHBondContact OE2-CD 3.29Å; E53-Q57 PolarHBondContact O-N 3.37Å; E53-Q57 VanDerWaalsContact O-N 3.12Å
54F95.2Very high94.1Very high72 Ų7266.3 Ų66.332%0.31635%0.35SS..Hα-helixtrans-54.7-50.6-179.5174.6-129.6000113.1K56 Q57 A58 W107 A110 I111F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.36Å; F54-Q57 WeakPolarHBondContact O-CB 3.29Å; F54-Q57 PolarHBondContact O-N 3.21Å; F54-A58 HydrophobicContact CE2-CB 4.41Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 3.27Å; F54-W107 HydrophobicContact CB-CD2 3.92Å; F54-W107 HydrophobicContact CB-CE3 4.17Å; F54-W107 HydrophobicContact CB-CH2 3.8Å; F54-W107 HydrophobicContact CB-CZ2 3.54Å; F54-W107 HydrophobicContact CB-CZ3 4.11Å; F54-W107 HydrophobicContact CD2-CB 3.71Å; F54-W107 AromaticContact CD2-CD1 3.73Å; F54-W107 AromaticContact CD2-CD2 3.37Å; F54-W107 HydrophobicContact CD2-CD2 3.37Å; F54-W107 AromaticContact CD2-CE2 3.83Å; F54-W107 AromaticContact CD2-CE3 3.78Å; F54-W107 HydrophobicContact CD2-CE3 3.78Å; F54-W107 AromaticContact CD2-CG 3.34Å; F54-W107 HydrophobicContact CD2-CG 3.34Å; F54-W107 AromaticContact CD2-NE1 3.97Å; F54-W107 HydrophobicContact CE2-CB 3.66Å; F54-W107 HydrophobicContact CE2-CD2 4.24Å; F54-W107 AromaticContact CE2-CG 3.74Å; F54-W107 HydrophobicContact CE2-CG 3.74Å; F54-W107 AromaticContact CG-CD2 3.95Å; F54-W107 HydrophobicContact CG-CD2 3.95Å; F54-W107 AromaticContact CG-CE2 3.91Å; F54-W107 HydrophobicContact CG-CE3 4.43Å; F54-W107 HydrophobicContact CG-CG 4.14Å; F54-W107 HydrophobicContact CG-CZ2 4.38Å; F54-A110 HydrophobicContact CZ-CB 3.93Å; F54-I111 HydrophobicContact CE2-CD1 4.14Å; F54-I111 HydrophobicContact CE2-CG1 3.98Å
55V94.8Very high94.1Very high93 Ų9365 Ų6556%0.56434%0.341SS*.Hα-helixtrans-62.5-44.2-174.7-1800000110.4E53 Q57 A58 D59E53-V55 PolarHBondContact O-N 3.21Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 3.46Å; V55-A58 PolarHBondContact O-N 2.75Å; V55-A58 VanDerWaalsContact O-N 3.15Å; V55-D59 PolarHBondContact O-N 3.06Å
56K95.1Very high94.1Very high113 Ų11369.6 Ų69.649%0.49136%0.356SS..Hα-helixtrans-59.2-43.1175.9-172.7-179.7177.7-1750112E53 F54 A60E53-K56 HydrophobicContact CB-CB 3.83Å; E53-K56 PolarHBondContact O-N 3.48Å; E53-K56 WeakPolarHBondContact OE2-CD 3.29Å; F54-K56 VanDerWaalsContact C-N 3.34Å; F54-K56 PolarHBondContact O-N 3.36Å; K56-A60 WeakPolarHBondContact O-CB 3.16Å; K56-A60 PolarHBondContact O-N 3.03Å; K56-A60 VanDerWaalsContact O-N 3.14Å
57Q94.7Very high94Very high20 Ų2074.6 Ų74.69%0.09338%0.382CS..Hα-helixtrans-63.6-44.9175.4-163.2-175.6-38.100111.6Y10 V48 T51 E53 F54 V55 V61 W107Y10-Q57 PolarHBondContact OH-NE2 3.25Å; V48-Q57 HydrophobicContact CG1-CG 3.79Å; T51-Q57 HydrophobicContact CG2-CB 3.56Å; T51-Q57 HydrophobicContact CG2-CG 4.03Å; E53-Q57 PolarHBondContact O-N 3.37Å; E53-Q57 VanDerWaalsContact O-N 3.12Å; F54-Q57 WeakPolarHBondContact O-CB 3.29Å; F54-Q57 PolarHBondContact O-N 3.21Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 3.46Å; Q57-V61 WeakPolarHBondContact O-CB 3.41Å; Q57-V61 VanDerWaalsContact O-CG2 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.48Å; Q57-V61 PolarHBondContact O-N 3.28Å; Q57-W107 VanDerWaalsContact OE1-CE3 3.24Å
58A96.2Very high93.8Very high16 Ų1670.8 Ų70.813%0.13237%0.366CS..Hα-helixtrans-62.3-49.7-178.900000111.4F54 V55 A60 V61 V62 I111F54-A58 HydrophobicContact CE2-CB 4.41Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 3.27Å; V55-A58 PolarHBondContact O-N 2.75Å; V55-A58 VanDerWaalsContact O-N 3.15Å; A58-A60 PolarHBondContact O-N 2.66Å; A58-V61 PolarHBondContact O-N 3.02Å; A58-V62 WeakPolarHBondContact O-CB 3.37Å; A58-V62 WeakPolarHBondContact O-CG2 3.19Å; A58-V62 PolarHBondContact O-N 3.28Å; A58-I111 HydrophobicContact CB-CD1 4.09Å; A58-I111 HydrophobicContact CB-CG1 3.76Å
59D95.9Very high93.7Very high105 Ų10570.1 Ų70.156%0.56136%0.362SS*.Hα-helixtrans-61.8-43.4-179.9-71.8-21.7000111.8V55 V62 S63V55-D59 PolarHBondContact O-N 3.06Å; D59-V62 PolarHBondContact O-N 3.46Å; D59-S63 VanDerWaalsContact O-CB 3.26Å; D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 2.83Å
60A96Very high93.7Very high54 Ų5469.9 Ų69.945%0.44637%0.365SS..Hα-helixtrans-61.4-47.9176.900000111.6K56 A58 S63 E64K56-A60 WeakPolarHBondContact O-CB 3.16Å; K56-A60 PolarHBondContact O-N 3.03Å; K56-A60 VanDerWaalsContact O-N 3.14Å; A58-A60 PolarHBondContact O-N 2.66Å; A60-S63 PolarHBondContact O-N 3.08Å; A60-E64 WeakPolarHBondContact O-CB 3.41Å; A60-E64 WeakPolarHBondContact O-CG 3.25Å; A60-E64 PolarHBondContact O-N 3Å
61V96.7Very high93.7Very high2 Ų267.7 Ų67.71%0.01237%0.373CS..Hα-helixtrans-63.8-43.8178.3172.80000111.2Y10 I34 V46 V48 Q57 A58 S63 E64 V65 I111 L115Y10-V61 HydrophobicContact CE2-CG1 4.05Å; I34-V61 HydrophobicContact CD1-CG1 4.14Å; I34-V61 HydrophobicContact CG2-CG1 3.98Å; V46-V61 HydrophobicContact CG1-CG1 4.41Å; V48-V61 HydrophobicContact CG1-CG2 4.42Å; V48-V61 HydrophobicContact CG2-CG2 3.95Å; Q57-V61 WeakPolarHBondContact O-CB 3.41Å; Q57-V61 VanDerWaalsContact O-CG2 3.28Å; Q57-V61 WeakPolarHBondContact O-CG2 3.48Å; Q57-V61 PolarHBondContact O-N 3.28Å; A58-V61 PolarHBondContact O-N 3.02Å; V61-S63 PolarHBondContact O-N 3.38Å; V61-E64 PolarHBondContact O-N 3.39Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CB 3.45Å; V61-V65 WeakPolarHBondContact O-CG2 3.46Å; V61-V65 PolarHBondContact O-N 3.13Å; V61-I111 HydrophobicContact CB-CG2 4.23Å; V61-I111 HydrophobicContact CG1-CG2 3.82Å; V61-L115 HydrophobicContact CG1-CD1 4.42Å
62V96.5Very high93.8Very high15 Ų1568.9 Ų68.99%0.09138%0.383CS..Hα-helixtrans-64-41.1179.4171.90000111.4A58 D59 R66 L115 L118A58-V62 WeakPolarHBondContact O-CB 3.37Å; A58-V62 WeakPolarHBondContact O-CG2 3.19Å; A58-V62 PolarHBondContact O-N 3.28Å; D59-V62 PolarHBondContact O-N 3.46Å; V62-R66 WeakPolarHBondContact O-CB 3.47Å; V62-R66 PolarHBondContact O-N 2.81Å; V62-L115 HydrophobicContact CB-CD2 4.38Å; V62-L115 HydrophobicContact CG2-CD2 3.91Å; V62-L118 HydrophobicContact CG1-CD1 3.76Å
63S95.9Very high94Very high61 Ų6166.2 Ų66.243%0.42737%0.369SS..Hα-helixtrans-63.7-50176.5-178.30000111.8D59 A60 V61 V65 R66 N67D59-S63 VanDerWaalsContact O-CB 3.26Å; D59-S63 WeakPolarHBondContact O-CB 3.45Å; D59-S63 PolarHBondContact O-N 2.83Å; A60-S63 PolarHBondContact O-N 3.08Å; V61-S63 PolarHBondContact O-N 3.38Å; S63-V65 PolarHBondContact O-N 3.44Å; S63-R66 WeakPolarHBondContact O-CB 3.27Å; S63-R66 PolarHBondContact O-N 3.23Å; S63-N67 PolarHBondContact O-N 3.37Å; S63-N67 VanDerWaalsContact O-N 3.09Å
64E96.8Very high94Very high94 Ų9460.5 Ų60.544%0.43934%0.342SS..Hα-helixtrans-64.2-41.1178.7-77.7-64.8129.300112.3V46 A60 V61 R66 N67 A68V46-E64 HydrophobicContact CB-CB 4.35Å; V46-E64 HydrophobicContact CG1-CB 3.54Å; V46-E64 HydrophobicContact CG1-CG 4.38Å; V46-E64 HydrophobicContact CG2-CB 4.01Å; A60-E64 WeakPolarHBondContact O-CB 3.41Å; A60-E64 WeakPolarHBondContact O-CG 3.25Å; A60-E64 PolarHBondContact O-N 3Å; V61-E64 PolarHBondContact O-N 3.39Å; E64-R66 PolarHBondContact O-N 3.12Å; E64-N67 PolarHBondContact O-N 3.22Å; E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 3.39Å
65V96.2Very high94.1Very high0 Ų058.1 Ų58.10%033%0.332CS..Hα-helixtrans-61.3-46173.8171.20000110.1I8 I34 V46 V61 S63 N67 A68 V69 L115 F119I8-V65 HydrophobicContact CD1-CG1 3.73Å; I34-V65 HydrophobicContact CD1-CG2 3.61Å; I34-V65 HydrophobicContact CG1-CG2 4.24Å; V46-V65 HydrophobicContact CG1-CG2 4.45Å; V46-V65 HydrophobicContact CG2-CG2 3.93Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CB 3.45Å; V61-V65 WeakPolarHBondContact O-CG2 3.46Å; V61-V65 PolarHBondContact O-N 3.13Å; S63-V65 PolarHBondContact O-N 3.44Å; V65-N67 PolarHBondContact O-N 3.49Å; V65-A68 CarbonylContact O-C 3.59Å; V65-A68 WeakPolarHBondContact O-CA 3.22Å; V65-A68 WeakPolarHBondContact O-CB 3.17Å; V65-A68 PolarHBondContact O-N 2.99Å; V65-V69 HydrophobicContact CG1-CG2 3.69Å; V65-V69 WeakPolarHBondContact O-CG2 3.35Å; V65-V69 PolarHBondContact O-N 3.27Å; V65-L115 HydrophobicContact CB-CD2 3.9Å; V65-L115 HydrophobicContact CG1-CD2 3.85Å; V65-L115 HydrophobicContact CG2-CD1 4.12Å; V65-L115 HydrophobicContact CG2-CD2 4.12Å; V65-F119 HydrophobicContact CG1-CD2 3.96Å; V65-F119 HydrophobicContact CG1-CE2 3.87Å; V65-F119 HydrophobicContact CG1-CZ 4.49Å
66R95.4Very high94.2Very high136 Ų13653.7 Ų53.751%0.51331%0.305SS..Hα-helixtrans-53.9-43.6178-171.8176.9-67-136.9-1.5111.9V62 S63 E64 N70 F119V62-R66 WeakPolarHBondContact O-CB 3.47Å; V62-R66 PolarHBondContact O-N 2.81Å; S63-R66 WeakPolarHBondContact O-CB 3.27Å; S63-R66 PolarHBondContact O-N 3.23Å; E64-R66 PolarHBondContact O-N 3.12Å; R66-N70 PolarHBondContact O-N 3.3Å; R66-F119 HydrophobicContact CB-CE1 4.29Å; R66-F119 HydrophobicContact CB-CZ 3.8Å; R66-F119 HydrophobicContact CG-CE1 4.26Å; R66-F119 HydrophobicContact CG-CZ 4.15Å
67N94.2Very high94.3Very high105 Ų10548.3 Ų48.356%0.56128%0.282SS*.Hα-helixtrans-64.5-43175.4-67.1-21.3000111.5S63 E64 V65 N70S63-N67 PolarHBondContact O-N 3.37Å; S63-N67 VanDerWaalsContact O-N 3.09Å; E64-N67 PolarHBondContact O-N 3.22Å; V65-N67 PolarHBondContact O-N 3.49Å; N67-N70 PolarHBondContact O-N 2.71Å
68A92.4Very high94.5Very high28 Ų2847.3 Ų47.323%0.23128%0.278CS..Hα-helixtrans-67.4-41.1-179.300000113.9W30 V46 E64 V65 N70W30-A68 WeakPolarHBondContact CZ2-O 3.41Å; V46-A68 HydrophobicContact CG2-CB 4.49Å; E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 3.39Å; V65-A68 CarbonylContact O-C 3.59Å; V65-A68 WeakPolarHBondContact O-CA 3.22Å; V65-A68 WeakPolarHBondContact O-CB 3.17Å; V65-A68 PolarHBondContact O-N 2.99Å; A68-N70 VanDerWaalsContact C-N 3.27Å; A68-N70 PolarHBondContact O-N 2.86Å
69V90.7Very high94.6Very high1 Ų146.6 Ų46.61%0.00627%0.271CS..Hα-helixtrans-73.9-22.9177.9-130.30000112.1W30 V65 G71 S72 V74 F119W30-V69 HydrophobicContact CH2-CG1 4.32Å; W30-V69 HydrophobicContact CZ3-CG1 4.37Å; V65-V69 HydrophobicContact CG1-CG2 3.69Å; V65-V69 WeakPolarHBondContact O-CG2 3.35Å; V65-V69 PolarHBondContact O-N 3.27Å; V69-G71 PolarHBondContact O-N 3.4Å; V69-S72 WeakPolarHBondContact CG1-O 3.34Å; V69-S72 WeakPolarHBondContact O-CB 3.3Å; V69-S72 PolarHBondContact O-N 3.13Å; V69-S72 VanDerWaalsContact O-N 3.12Å; V69-V74 HydrophobicContact CG1-CG1 3.54Å; V69-F119 HydrophobicContact CG2-CD1 3.88Å; V69-F119 HydrophobicContact CG2-CE1 4.13Å; V69-F119 HydrophobicContact CG2-CG 4.16Å
70N88.6Confident94.5Very high137 Ų13742.4 Ų42.473%0.73325%0.25SC*.THydrogen-bonded Turntrans48.753.3176.7-165.127.8000112.8R66 N67 A68 S72R66-N70 PolarHBondContact O-N 3.3Å; N67-N70 PolarHBondContact O-N 2.71Å; A68-N70 VanDerWaalsContact C-N 3.27Å; A68-N70 PolarHBondContact O-N 2.86Å; N70-S72 VanDerWaalsContact C-N 3.26Å; N70-S72 PolarHBondContact O-N 3Å
71G84.5Confident94.4Very high82 Ų8240.6 Ų40.685%0.84523%0.234SC*.THydrogen-bonded Turntrans77.4-4177.900000116.1V69V69-G71 PolarHBondContact O-N 3.4Å
72S90.2Very high93.9Very high46 Ų4642.5 Ų42.532%0.32226%0.255SS..  trans-83.9153.5175.5-57.80000112.4R6 V69 N70R6-S72 PolarHBondContact NH1-OG 2.81Å; V69-S72 WeakPolarHBondContact CG1-O 3.34Å; V69-S72 WeakPolarHBondContact O-CB 3.3Å; V69-S72 PolarHBondContact O-N 3.13Å; V69-S72 VanDerWaalsContact O-N 3.12Å; N70-S72 VanDerWaalsContact C-N 3.26Å; N70-S72 PolarHBondContact O-N 3Å
73K93.5Very high93.4Very high90 Ų9043 Ų4339%0.39126%0.263SS..  trans-85.4159.7168.7-67.6-68-156158.70111.3L118 F119 L120 K121K73-L118 PolarHBondContact NZ-O 2.86Å; K73-F119 CarbonylContact C-O 3.56Å; K73-F119 VanDerWaalsContact CA-O 3.29Å; K73-F119 WeakPolarHBondContact CA-O 3.41Å; K73-F119 VanDerWaalsContact CD-O 3.29Å; K73-F119 WeakPolarHBondContact CD-O 3.46Å; K73-L120 VanDerWaalsContact CD-O 3.29Å; K73-L120 WeakPolarHBondContact CD-O 3.29Å; K73-L120 WeakPolarHBondContact CE-O 3.34Å; K73-L120 PolarHBondContact NZ-O 2.99Å; K73-K121 HydrophobicContact CB-CG 3.62Å
74V95.5Very high92.9Very high0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-118.3147.8178-58.40000112R6 I8 W30 V69 I77 F119 K121R6-V74 HydrophobicContact CB-CB 4.23Å; R6-V74 HydrophobicContact CB-CG1 3.87Å; R6-V74 WeakPolarHBondContact O-CB 3.32Å; I8-V74 HydrophobicContact CD1-CG1 4.1Å; I8-V74 HydrophobicContact CD1-CG2 4.08Å; I8-V74 HydrophobicContact CG1-CG1 4.07Å; I8-V74 HydrophobicContact CG1-CG2 4.31Å; W30-V74 HydrophobicContact CZ3-CG1 4.46Å; V69-V74 HydrophobicContact CG1-CG1 3.54Å; V74-I77 HydrophobicContact CG2-CD1 4.16Å; V74-I77 HydrophobicContact CG2-CG1 3.76Å; V74-F119 HydrophobicContact CG2-CB 4.28Å; V74-F119 WeakPolarHBondContact CG2-O 3.45Å; V74-F119 PolarHBondContact N-O 2.84Å; V74-K121 PolarHBondContact O-N 3.03Å
75D95.7Very high92.5Very high22 Ų2245.5 Ų45.512%0.11826%0.263CS..EExtended strand (participates in β ladder)trans-73.4-36.1-179.8-62.3-83.1000111.9D5 R6 W29 K121 G124 L125 I210D5-D75 WeakPolarHBondContact CA-OD2 3.28Å; R6-D75 PolarHBondContact N-OD2 3.19Å; R6-D75 WeakPolarHBondContact O-CB 3.35Å; R6-D75 PolarHBondContact O-N 2.92Å; W29-D75 HydrophobicContact CH2-CB 4.36Å; W29-D75 HydrophobicContact CZ3-CB 3.98Å; D75-K121 VanDerWaalsContact CG-NZ 3.25Å; D75-K121 WeakPolarHBondContact OD1-CE 3.33Å; D75-K121 IonicContact OD1-NZ 2.65Å; D75-K121 PolarHBondContact OD1-NZ 3.48Å; D75-K121 IonicContact OD2-NZ 3.19Å; D75-K121 PolarHBondContact OD2-NZ 3.33Å; D75-G124 WeakPolarHBondContact O-CA 3.43Å; D75-L125 PolarHBondContact O-N 2.81Å; D75-I210 HydrophobicContact CB-CG2 3.98Å
76A97Very high92Very high0 Ų047 Ų470%028%0.278CS..EExtended strand (participates in β ladder)trans-150.4148.6-179.500000113.6I7 I8 L78 L125 I210I7-A76 WeakPolarHBondContact CA-O 3.31Å; I8-A76 PolarHBondContact N-O 3.4Å; A76-L78 HydrophobicContact CB-CD2 4.19Å; A76-L125 CarbonylContact C-O 3.29Å; A76-L125 WeakPolarHBondContact CA-O 3.34Å; A76-L125 HydrophobicContact CB-CB 4.36Å; A76-I210 HydrophobicContact CB-CD1 3.48Å; A76-I210 VanDerWaalsContact CB-CD1 3.48Å; A76-I210 HydrophobicContact CB-CG1 3.7Å; A76-I210 HydrophobicContact CB-CG2 4.21Å
77I98.2Very high91.6Very high0 Ų041.9 Ų41.90%027%0.268CS..EExtended strand (participates in β ladder)trans-121.1114.1167.7-56.8-172.1000107.8I8 V74 A112 L115 L120 L125 L126 V127I8-I77 HydrophobicContact CB-CG1 4.22Å; I8-I77 HydrophobicContact CB-CG2 4.38Å; I8-I77 HydrophobicContact CD1-CD1 4.22Å; I8-I77 HydrophobicContact CD1-CG1 4.34Å; I8-I77 HydrophobicContact CG2-CG2 4.46Å; I8-I77 CarbonylContact O-C 3.49Å; I8-I77 WeakPolarHBondContact O-CA 3.45Å; V74-I77 HydrophobicContact CG2-CD1 4.16Å; V74-I77 HydrophobicContact CG2-CG1 3.76Å; I77-A112 HydrophobicContact CG2-CB 4.18Å; I77-L115 VanDerWaalsContact CD1-C 3.44Å; I77-L115 HydrophobicContact CD1-CB 3.74Å; I77-L115 WeakPolarHBondContact CD1-O 3.36Å; I77-L120 HydrophobicContact CD1-CD1 4.5Å; I77-L120 HydrophobicContact CD1-CG 4.15Å; I77-L120 HydrophobicContact CG1-CD2 4.24Å; I77-L120 HydrophobicContact CG1-CG 4.1Å; I77-L125 PolarHBondContact N-O 3.17Å; I77-L126 HydrophobicContact CB-CD1 4.03Å; I77-L126 HydrophobicContact CG2-CD1 4.09Å; I77-L126 WeakPolarHBondContact O-CA 3.49Å; I77-V127 PolarHBondContact O-N 3.27Å
78L98Very high91.5Very high0 Ų040.4 Ų40.40%026%0.26CS..EExtended strand (participates in β ladder)trans-106.9107-179.1-50.3-173.1000109.8I7 I8 I9 Y10 L20 F24 A76 V80 V127 L206I7-L78 HydrophobicContact CD1-CD1 3.44Å; I7-L78 VanDerWaalsContact CD1-CD1 3.44Å; I7-L78 HydrophobicContact CD1-CG 3.77Å; I7-L78 HydrophobicContact CG1-CG 4.36Å; I8-L78 PolarHBondContact O-N 2.83Å; I9-L78 CarbonylContact C-O 3.56Å; I9-L78 WeakPolarHBondContact CA-O 3.47Å; Y10-L78 PolarHBondContact N-O 2.93Å; L20-L78 HydrophobicContact CD1-CD1 4.07Å; L20-L78 HydrophobicContact CD2-CD1 4.34Å; F24-L78 HydrophobicContact CE2-CD1 4.07Å; A76-L78 HydrophobicContact CB-CD2 4.19Å; L78-V80 PolarHBondContact O-N 2.74Å; L78-V127 HydrophobicContact CD2-CB 3.67Å; L78-V127 HydrophobicContact CD2-CG2 3.48Å; L78-V127 VanDerWaalsContact CD2-CG2 3.48Å; L78-L206 HydrophobicContact CD1-CD1 3.91Å; L78-L206 HydrophobicContact CD2-CD1 4.33Å
79C97.8Very high91.4Very high0 Ų042.8 Ų42.80%028%0.28CS..EExtended strand (participates in β ladder)trans-91.795.3172.6-172.30000110.6A112 V127 L128 T129C79-A112 HydrophobicContact CB-CB 3.6Å; C79-V127 PolarHBondContact N-O 3.09Å; C79-L128 HydrophobicContact CB-CD2 3.77Å; C79-T129 PolarHBondContact O-N 3.31Å; C79-T129 PolarHBondContact O-OG1 2.7Å
80V95.7Very high91.6Very high18 Ų1847.8 Ų47.811%0.10932%0.315CS..  trans-110.39.9176.8-62.80000112.6I9 Y10 L16 L20 L78 T129I9-V80 HydrophobicContact CG2-CG2 3.87Å; Y10-V80 CarbonylContact O-C 3.28Å; Y10-V80 WeakPolarHBondContact O-CG2 3.45Å; Y10-V80 PolarHBondContact O-N 3.13Å; L16-V80 HydrophobicContact CD2-CB 3.99Å; L16-V80 HydrophobicContact CD2-CG1 3.64Å; L16-V80 HydrophobicContact CG-CB 4.25Å; L16-V80 HydrophobicContact CG-CG1 4.1Å; L20-V80 HydrophobicContact CD1-CB 4.46Å; L20-V80 HydrophobicContact CD1-CG1 3.71Å; L20-V80 HydrophobicContact CD1-CG2 4.09Å; L78-V80 PolarHBondContact O-N 2.74Å; V80-T129 WeakPolarHBondContact CA-OG1 3.19Å
81A92Very high91.6Very high15 Ų1542.8 Ų42.812%0.12430%0.295CS..  trans-65.9132.5168.400000110.2Y10 Q104 T108Y10-A81 HydrophobicContact CD1-CB 3.79Å; Y10-A81 HydrophobicContact CE1-CB 4.32Å; Y10-A81 PolarHBondContact O-N 3.05Å; A81-Q104 CarbonylContact C-O 3.53Å; A81-T108 HydrophobicContact CB-CG2 3.76Å
82G86.7Confident91.9Very high43 Ų4349 Ų4944%0.44330%0.299SS..  trans174.4171.7-179.700000111.1
83G85.4Confident91.9Very high25 Ų2552.2 Ų52.226%0.25831%0.313SS..  trans-153.9165172.600000109.4Q104 Y144G83-Q104 VanDerWaalsContact CA-OE1 3.31Å; G83-Y144 WeakPolarHBondContact O-CD2 3.3Å; G83-Y144 WeakPolarHBondContact O-CE2 3.15Å
84W87.2Confident91.9Very high174 Ų17450 Ų5066%0.65930%0.303SS*.  trans-109.6133.8177.118089.7000109.6Y144W84-Y144 HydrophobicContact CB-CE2 4.29Å; W84-Y144 AromaticContact CD1-CE2 3.99Å; W84-Y144 AromaticContact CD1-CZ 3.96Å; W84-Y144 HydrophobicContact CG-CE2 4.49Å
85V87.1Confident91.8Very high34 Ų3458 Ų5821%0.20634%0.339CS..  trans-137.6115.1175.4-176.60000108.8S97 V101 Y144V85-S97 WeakPolarHBondContact CG1-OG 3.31Å; V85-V101 HydrophobicContact CB-CG1 4.11Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; V85-Y144 WeakPolarHBondContact O-CB 3.43Å
86G86.3Confident91.7Very high31 Ų3162.4 Ų62.432%0.3236%0.362SS..  trans-78.7158.5170.600000112
87G86.9Confident91.5Very high29 Ų2963.3 Ų63.330%0.29937%0.368SS..BIsolated β-bridgetrans147.1148.6177.900000113G140 M141 V142G87-G140 PolarHBondContact N-O 3.49Å; G87-G140 CarbonylContact O-C 3.55Å; G87-G140 VanDerWaalsContact O-C 3.25Å; G87-M141 CarbonylContact O-C 3.57Å; G87-M141 WeakPolarHBondContact O-CA 3.46Å; G87-M141 PolarHBondContact O-N 2.95Å; G87-V142 PolarHBondContact O-N 2.89Å
88N91.6Very high91.3Very high74 Ų7464.5 Ų64.540%0.39638%0.376SS..  trans-110.2177.8172.462.626.1000109.9S90 G91 F94 P139N88-S90 PolarHBondContact O-N 3.17Å; N88-S90 VanDerWaalsContact O-N 3.16Å; N88-S90 PolarHBondContact OD1-N 2.95Å; N88-S90 VanDerWaalsContact OD1-N 3.15Å; N88-S90 PolarHBondContact OD1-OG 3.29Å; N88-G91 PolarHBondContact O-N 2.9Å; N88-G91 VanDerWaalsContact O-N 3.14Å; N88-G91 PolarHBondContact OD1-N 2.79Å; N88-F94 WeakPolarHBondContact O-CD2 3.42Å; N88-P139 WeakPolarHBondContact CB-O 3.42Å
89A91.7Very high91Very high78 Ų7867 Ų6765%0.64539%0.394SS*.THydrogen-bonded Turntrans-64-18.1-176.700000114.5
90S93.8Very high90.8Very high106 Ų10669.9 Ų69.974%0.74141%0.411SS*.THydrogen-bonded Turntrans-89.9-2.8177.763.50000113.9N88N88-S90 PolarHBondContact O-N 3.17Å; N88-S90 VanDerWaalsContact O-N 3.16Å; N88-S90 PolarHBondContact OD1-N 2.95Å; N88-S90 VanDerWaalsContact OD1-N 3.15Å; N88-S90 PolarHBondContact OD1-OG 3.29Å
91G89.1Confident90.7Very high32 Ų3269 Ų6933%0.3341%0.406SS..  trans-69.9132.9-179.400000113.4N88 N93 F94N88-G91 PolarHBondContact O-N 2.9Å; N88-G91 VanDerWaalsContact O-N 3.14Å; N88-G91 PolarHBondContact OD1-N 2.79Å; G91-N93 PolarHBondContact O-N 2.99Å; G91-N93 VanDerWaalsContact O-N 3.1Å; G91-F94 WeakPolarHBondContact O-CB 3.38Å; G91-F94 PolarHBondContact O-N 2.92Å
92K89.6Confident90.9Very high211 Ų21173 Ų7392%0.91742%0.418SS*.THydrogen-bonded Turntrans-54.8-31.7179.3-73.2-173.2177.1-177.60114.4
93N90.4Very high91.2Very high115 Ų11572.5 Ų72.562%0.61540%0.404SS*.THydrogen-bonded Turntrans-100.218.7-179.7-69.9-19.1000112.9G91 F95 N96 S97G91-N93 PolarHBondContact O-N 2.99Å; G91-N93 VanDerWaalsContact O-N 3.1Å; N93-F95 PolarHBondContact O-N 2.9Å; N93-N96 PolarHBondContact O-N 3.13Å; N93-S97 WeakPolarHBondContact O-CB 3.23Å; N93-S97 PolarHBondContact O-N 3.07Å; N93-S97 PolarHBondContact O-OG 2.98Å
94F93.3Very high91.6Very high42 Ų4274.7 Ų74.718%0.18441%0.407CS..Hα-helixtrans-56.2-47.2-175.5178.5-112.1000112.3N88 G91 S97 C98 V142N88-F94 WeakPolarHBondContact O-CD2 3.42Å; G91-F94 WeakPolarHBondContact O-CB 3.38Å; G91-F94 PolarHBondContact O-N 2.92Å; F94-S97 WeakPolarHBondContact O-CB 3.42Å; F94-S97 PolarHBondContact O-N 2.66Å; F94-C98 PolarHBondContact O-N 2.91Å; F94-C98 PolarHBondContact O-SG 3.23Å; F94-C98 VanDerWaalsContact O-SG 3.37Å; F94-V142 HydrophobicContact CE2-CB 3.93Å; F94-V142 HydrophobicContact CE2-CG1 3.89Å; F94-V142 HydrophobicContact CZ-CG1 3.98Å
95F94.4Very high92Very high170 Ų17066.4 Ų66.475%0.74638%0.376SS*.Hα-helixtrans-64.3-44.3179.3-56.5-53.3000113.4N93 S97 C98 S99N93-F95 PolarHBondContact O-N 2.9Å; F95-S97 VanDerWaalsContact C-N 3.28Å; F95-S97 PolarHBondContact O-N 3.14Å; F95-C98 WeakPolarHBondContact O-CB 3.33Å; F95-C98 PolarHBondContact O-N 2.74Å; F95-S99 PolarHBondContact O-N 2.96Å
96N93.2Very high92.4Very high113 Ų11365.5 Ų65.560%0.60437%0.37SS*.Hα-helixtrans-63.5-36.5174.8-87.80.8000111.8N93 S99 T100N93-N96 PolarHBondContact O-N 3.13Å; N96-S99 PolarHBondContact O-N 2.91Å; N96-T100 VanDerWaalsContact O-CB 3.31Å; N96-T100 WeakPolarHBondContact O-CB 3.44Å; N96-T100 PolarHBondContact O-N 3.3Å; N96-T100 PolarHBondContact O-OG1 2.87Å
97S93.6Very high92.9Very high20 Ų2065.3 Ų65.314%0.1436%0.36CS..Hα-helixtrans-60.8-51.6173.9-58.20000109.8V85 N93 F94 F95 S99 T100 V101V85-S97 WeakPolarHBondContact CG1-OG 3.31Å; N93-S97 WeakPolarHBondContact O-CB 3.23Å; N93-S97 PolarHBondContact O-N 3.07Å; N93-S97 PolarHBondContact O-OG 2.98Å; F94-S97 WeakPolarHBondContact O-CB 3.42Å; F94-S97 PolarHBondContact O-N 2.66Å; F95-S97 VanDerWaalsContact C-N 3.28Å; F95-S97 PolarHBondContact O-N 3.14Å; S97-S99 PolarHBondContact O-N 3.25Å; S97-T100 PolarHBondContact O-N 3.46Å; S97-T100 VanDerWaalsContact O-N 3.17Å; S97-V101 WeakPolarHBondContact O-CG2 3.31Å; S97-V101 PolarHBondContact O-N 3.18Å
98C93.2Very high93.4Very high24 Ų2464.3 Ų64.316%0.16235%0.348CS..Hα-helixtrans-52.5-51.5175.5-70.10000112.3F94 F95 T100 W102 A143 M146F94-C98 PolarHBondContact O-N 2.91Å; F94-C98 PolarHBondContact O-SG 3.23Å; F94-C98 VanDerWaalsContact O-SG 3.37Å; F95-C98 WeakPolarHBondContact O-CB 3.33Å; F95-C98 PolarHBondContact O-N 2.74Å; C98-T100 PolarHBondContact O-N 3.3Å; C98-W102 WeakPolarHBondContact O-CB 3.43Å; C98-W102 PolarHBondContact O-N 3.43Å; C98-A143 HydrophobicContact CB-CB 4.42Å; C98-M146 HydrophobicContact CB-CE 4.34Å
99S93Very high93.7Very high54 Ų5460.9 Ų60.938%0.37833%0.33SS..Hα-helixtrans-59.5-45178.2-177.60000112.1F95 N96 S97 W102 K103F95-S99 PolarHBondContact O-N 2.96Å; N96-S99 PolarHBondContact O-N 2.91Å; S97-S99 PolarHBondContact O-N 3.25Å; S99-W102 PolarHBondContact O-N 2.8Å; S99-K103 PolarHBondContact O-N 2.91Å
100T93.1Very high93.9Very high59 Ų5958.5 Ų58.536%0.36231%0.31SS..Hα-helixtrans-63.2-52.6-177.1-590000112.3N96 S97 C98 W102 K103 Q104N96-T100 VanDerWaalsContact O-CB 3.31Å; N96-T100 WeakPolarHBondContact O-CB 3.44Å; N96-T100 PolarHBondContact O-N 3.3Å; N96-T100 PolarHBondContact O-OG1 2.87Å; S97-T100 PolarHBondContact O-N 3.46Å; S97-T100 VanDerWaalsContact O-N 3.17Å; C98-T100 PolarHBondContact O-N 3.3Å; T100-W102 VanDerWaalsContact C-N 3.28Å; T100-W102 PolarHBondContact O-N 2.99Å; T100-K103 PolarHBondContact O-N 3.18Å; T100-Q104 HydrophobicContact CG2-CG 4.47Å; T100-Q104 WeakPolarHBondContact O-CB 3.4Å; T100-Q104 VanDerWaalsContact O-CG 3.27Å; T100-Q104 WeakPolarHBondContact O-CG 3.38Å; T100-Q104 PolarHBondContact O-N 2.73Å
101V93.9Very high94.1Very high0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-69.3-28179.4-94.30000112.5V85 S97 Q104 S105 A143 Y144 A147V85-V101 HydrophobicContact CB-CG1 4.11Å; V85-V101 HydrophobicContact CG2-CG1 3.83Å; S97-V101 WeakPolarHBondContact O-CG2 3.31Å; S97-V101 PolarHBondContact O-N 3.18Å; V101-Q104 PolarHBondContact O-N 2.81Å; V101-S105 WeakPolarHBondContact O-CB 3.26Å; V101-S105 PolarHBondContact O-N 2.82Å; V101-A143 HydrophobicContact CG2-CB 3.74Å; V101-Y144 HydrophobicContact CG1-CD2 4.09Å; V101-A147 HydrophobicContact CB-CB 4.09Å
102W95Very high94.6Very high100 Ų10052 Ų5238%0.37926%0.26SS..Iπ-helixtrans-62.9-48.7173.2-162.9-96000111.6C98 S99 T100 Q104 V106 W107 M146 A150C98-W102 WeakPolarHBondContact O-CB 3.43Å; C98-W102 PolarHBondContact O-N 3.43Å; S99-W102 PolarHBondContact O-N 2.8Å; T100-W102 VanDerWaalsContact C-N 3.28Å; T100-W102 PolarHBondContact O-N 2.99Å; W102-Q104 PolarHBondContact O-N 3.04Å; W102-V106 HydrophobicContact CD2-CB 4.04Å; W102-V106 HydrophobicContact CD2-CG1 4.41Å; W102-V106 HydrophobicContact CD2-CG2 3.77Å; W102-V106 HydrophobicContact CE3-CB 4.49Å; W102-V106 HydrophobicContact CE3-CG2 3.73Å; W102-V106 HydrophobicContact CG-CB 4.27Å; W102-V106 HydrophobicContact CG-CG2 4.31Å; W102-V106 HydrophobicContact CH2-CG1 4.47Å; W102-V106 HydrophobicContact CH2-CG2 4.34Å; W102-V106 HydrophobicContact CZ2-CB 4.45Å; W102-V106 HydrophobicContact CZ2-CG1 3.93Å; W102-V106 HydrophobicContact CZ2-CG2 4.37Å; W102-V106 HydrophobicContact CZ3-CG2 4.03Å; W102-V106 WeakPolarHBondContact O-CA 3.35Å; W102-V106 VanDerWaalsContact O-CB 3.3Å; W102-V106 WeakPolarHBondContact O-CB 3.28Å; W102-V106 PolarHBondContact O-N 3.12Å; W102-W107 AromaticContact CD1-CD1 3.71Å; W102-W107 AromaticContact CD1-NE1 3.47Å; W102-W107 AromaticContact NE1-NE1 3.88Å; W102-W107 PolarHBondContact O-N 2.68Å; W102-W107 VanDerWaalsContact O-N 3.17Å; W102-M146 HydrophobicContact CE3-CE 4.13Å; W102-M146 HydrophobicContact CZ3-CE 4.29Å; W102-M146 HydrophobicContact CZ3-CG 4.5Å; W102-A150 HydrophobicContact CH2-CB 4.22Å; W102-A150 HydrophobicContact CZ3-CB 4.24Å
103K93.9Very high94.9Very high31 Ų3142.6 Ų42.614%0.13522%0.221CC..Iπ-helixtrans-61.9-43.6173.6-69.4-170.2-177.3-1750112.4T51 E52 S99 T100 W107T51-K103 PolarHBondContact O-NZ 3.28Å; E52-K103 IonicContact OE1-NZ 3.8Å; E52-K103 PolarHBondContact OE1-NZ 3.16Å; E52-K103 WeakPolarHBondContact OE2-CE 3.31Å; E52-K103 IonicContact OE2-NZ 3.51Å; E52-K103 PolarHBondContact OE2-NZ 2.69Å; S99-K103 PolarHBondContact O-N 2.91Å; T100-K103 PolarHBondContact O-N 3.18Å; K103-W107 HydrophobicContact CB-CD2 4.25Å; K103-W107 HydrophobicContact CB-CE3 4.26Å; K103-W107 HydrophobicContact CD-CE3 4.26Å; K103-W107 HydrophobicContact CD-CH2 4.01Å; K103-W107 HydrophobicContact CD-CZ2 4.45Å; K103-W107 HydrophobicContact CD-CZ3 3.91Å; K103-W107 HydrophobicContact CG-CD2 3.83Å; K103-W107 HydrophobicContact CG-CE3 3.83Å; K103-W107 HydrophobicContact CG-CH2 3.95Å; K103-W107 HydrophobicContact CG-CZ2 3.93Å; K103-W107 HydrophobicContact CG-CZ3 3.9Å; K103-W107 WeakPolarHBondContact O-CB 3.42Å
104Q92.8Very high95.3Very high72 Ų7241.7 Ų41.734%0.33621%0.213SC..Iπ-helixtrans-71.3-33.5-174.3-73.4176-7.800113.7A81 G83 T100 V101 W102 T108A81-Q104 CarbonylContact C-O 3.53Å; G83-Q104 VanDerWaalsContact CA-OE1 3.31Å; T100-Q104 HydrophobicContact CG2-CG 4.47Å; T100-Q104 WeakPolarHBondContact O-CB 3.4Å; T100-Q104 VanDerWaalsContact O-CG 3.27Å; T100-Q104 WeakPolarHBondContact O-CG 3.38Å; T100-Q104 PolarHBondContact O-N 2.73Å; V101-Q104 PolarHBondContact O-N 2.81Å; W102-Q104 PolarHBondContact O-N 3.04Å; Q104-T108 PolarHBondContact O-OG1 3.19Å
105S95.5Very high95.5Very high0 Ų039.7 Ų39.70%020%0.204CC..Iπ-helixtrans-110.1-43.3-175.7-61.60000113.8V101 T108 S109 K148 V151V101-S105 WeakPolarHBondContact O-CB 3.26Å; V101-S105 PolarHBondContact O-N 2.82Å; S105-T108 PolarHBondContact O-OG1 2.8Å; S105-S109 WeakPolarHBondContact O-CB 3.47Å; S105-S109 PolarHBondContact O-N 3.4Å; S105-S109 PolarHBondContact O-OG 3.04Å; S105-K148 PolarHBondContact OG-NZ 3.27Å; S105-K148 VanDerWaalsContact OG-NZ 3.16Å; S105-V151 WeakPolarHBondContact O-CG2 3.45Å
106V96.7Very high95.6Very high14 Ų1431.6 Ų31.69%0.08517%0.169CC..Iπ-helixtrans-84.3-48.2-172.6-175.20000111.1W102 T108 S109 A110 A147 A150 M154W102-V106 HydrophobicContact CD2-CB 4.04Å; W102-V106 HydrophobicContact CD2-CG1 4.41Å; W102-V106 HydrophobicContact CD2-CG2 3.77Å; W102-V106 HydrophobicContact CE3-CB 4.49Å; W102-V106 HydrophobicContact CE3-CG2 3.73Å; W102-V106 HydrophobicContact CG-CB 4.27Å; W102-V106 HydrophobicContact CG-CG2 4.31Å; W102-V106 HydrophobicContact CH2-CG1 4.47Å; W102-V106 HydrophobicContact CH2-CG2 4.34Å; W102-V106 HydrophobicContact CZ2-CB 4.45Å; W102-V106 HydrophobicContact CZ2-CG1 3.93Å; W102-V106 HydrophobicContact CZ2-CG2 4.37Å; W102-V106 HydrophobicContact CZ3-CG2 4.03Å; W102-V106 WeakPolarHBondContact O-CA 3.35Å; W102-V106 VanDerWaalsContact O-CB 3.3Å; W102-V106 WeakPolarHBondContact O-CB 3.28Å; W102-V106 PolarHBondContact O-N 3.12Å; V106-T108 PolarHBondContact O-N 3.09Å; V106-S109 PolarHBondContact O-N 3.2Å; V106-A110 WeakPolarHBondContact O-CB 3.22Å; V106-A110 PolarHBondContact O-N 3.41Å; V106-A147 HydrophobicContact CG2-CB 4.18Å; V106-A150 HydrophobicContact CG2-CB 4.04Å; V106-M154 HydrophobicContact CG1-CE 4.39Å
107W96.6Very high95.7Very high27 Ų2728.2 Ų28.210%0.10215%0.154CC..Iπ-helixtrans-61.7-47.2179.7-70.211000111.7E52 F54 Q57 W102 K103 S109 A110 I111E52-W107 WeakPolarHBondContact O-CH2 3.49Å; F54-W107 HydrophobicContact CB-CD2 3.92Å; F54-W107 HydrophobicContact CB-CE3 4.17Å; F54-W107 HydrophobicContact CB-CH2 3.8Å; F54-W107 HydrophobicContact CB-CZ2 3.54Å; F54-W107 HydrophobicContact CB-CZ3 4.11Å; F54-W107 HydrophobicContact CD2-CB 3.71Å; F54-W107 AromaticContact CD2-CD1 3.73Å; F54-W107 AromaticContact CD2-CD2 3.37Å; F54-W107 HydrophobicContact CD2-CD2 3.37Å; F54-W107 AromaticContact CD2-CE2 3.83Å; F54-W107 AromaticContact CD2-CE3 3.78Å; F54-W107 HydrophobicContact CD2-CE3 3.78Å; F54-W107 AromaticContact CD2-CG 3.34Å; F54-W107 HydrophobicContact CD2-CG 3.34Å; F54-W107 AromaticContact CD2-NE1 3.97Å; F54-W107 HydrophobicContact CE2-CB 3.66Å; F54-W107 HydrophobicContact CE2-CD2 4.24Å; F54-W107 AromaticContact CE2-CG 3.74Å; F54-W107 HydrophobicContact CE2-CG 3.74Å; F54-W107 AromaticContact CG-CD2 3.95Å; F54-W107 HydrophobicContact CG-CD2 3.95Å; F54-W107 AromaticContact CG-CE2 3.91Å; F54-W107 HydrophobicContact CG-CE3 4.43Å; F54-W107 HydrophobicContact CG-CG 4.14Å; F54-W107 HydrophobicContact CG-CZ2 4.38Å; Q57-W107 VanDerWaalsContact OE1-CE3 3.24Å; W102-W107 AromaticContact CD1-CD1 3.71Å; W102-W107 AromaticContact CD1-NE1 3.47Å; W102-W107 AromaticContact NE1-NE1 3.88Å; W102-W107 PolarHBondContact O-N 2.68Å; W102-W107 VanDerWaalsContact O-N 3.17Å; K103-W107 HydrophobicContact CB-CD2 4.25Å; K103-W107 HydrophobicContact CB-CE3 4.26Å; K103-W107 HydrophobicContact CD-CE3 4.26Å; K103-W107 HydrophobicContact CD-CH2 4.01Å; K103-W107 HydrophobicContact CD-CZ2 4.45Å; K103-W107 HydrophobicContact CD-CZ3 3.91Å; K103-W107 HydrophobicContact CG-CD2 3.83Å; K103-W107 HydrophobicContact CG-CE3 3.83Å; K103-W107 HydrophobicContact CG-CH2 3.95Å; K103-W107 HydrophobicContact CG-CZ2 3.93Å; K103-W107 HydrophobicContact CG-CZ3 3.9Å; K103-W107 WeakPolarHBondContact O-CB 3.42Å; W107-S109 VanDerWaalsContact C-N 3.35Å; W107-S109 PolarHBondContact O-N 2.98Å; W107-A110 PolarHBondContact O-N 3.29Å; W107-I111 VanDerWaalsContact O-CG1 3.25Å; W107-I111 WeakPolarHBondContact O-CG1 3.38Å; W107-I111 PolarHBondContact O-N 3.13Å
108T96.7Very high95.8Very high9 Ų929.9 Ų29.96%0.05516%0.161CC..Hα-helixtrans-61.7-42.1179.453.70000111.8Y10 A81 Q104 S105 V106 I111 A112Y10-T108 HydrophobicContact CD1-CG2 4.12Å; Y10-T108 HydrophobicContact CE1-CG2 3.55Å; A81-T108 HydrophobicContact CB-CG2 3.76Å; Q104-T108 PolarHBondContact O-OG1 3.19Å; S105-T108 PolarHBondContact O-OG1 2.8Å; V106-T108 PolarHBondContact O-N 3.09Å; T108-I111 PolarHBondContact O-N 3.49Å; T108-A112 WeakPolarHBondContact O-CB 3.33Å; T108-A112 PolarHBondContact O-N 3.35Å
109S97.7Very high96Very high2 Ų229.6 Ų29.61%0.01416%0.157CC..Hα-helixtrans-66.8-40.3176.1-60.80000112.5S105 V106 W107 A112 A113S105-S109 WeakPolarHBondContact O-CB 3.47Å; S105-S109 PolarHBondContact O-N 3.4Å; S105-S109 PolarHBondContact O-OG 3.04Å; V106-S109 PolarHBondContact O-N 3.2Å; W107-S109 VanDerWaalsContact C-N 3.35Å; W107-S109 PolarHBondContact O-N 2.98Å; S109-A112 PolarHBondContact O-N 3.3Å; S109-A113 WeakPolarHBondContact O-CB 3.19Å; S109-A113 PolarHBondContact O-N 2.89Å
110A97.5Very high96.1Very high27 Ų2727 Ų2722%0.22314%0.139CC..Hα-helixtrans-64.4-43176.400000111.9F54 V106 W107 A113 H114 M154F54-A110 HydrophobicContact CZ-CB 3.93Å; V106-A110 WeakPolarHBondContact O-CB 3.22Å; V106-A110 PolarHBondContact O-N 3.41Å; W107-A110 PolarHBondContact O-N 3.29Å; A110-A113 PolarHBondContact O-N 3.41Å; A110-H114 PolarHBondContact O-N 3.43Å; A110-M154 HydrophobicContact CB-CE 4.02Å; A110-M154 HydrophobicContact CB-SD 4.48Å
111I97.7Very high96.2Very high3 Ų326.7 Ų26.72%0.01513%0.132CC..Hα-helixtrans-63.8-46174.9-64163.4000109.8Y10 F54 A58 V61 W107 T108 A113 H114 L115Y10-I111 HydrophobicContact CD2-CG2 4.46Å; Y10-I111 HydrophobicContact CE2-CB 4.01Å; Y10-I111 HydrophobicContact CE2-CD1 4.4Å; Y10-I111 HydrophobicContact CE2-CG2 3.76Å; F54-I111 HydrophobicContact CE2-CD1 4.14Å; F54-I111 HydrophobicContact CE2-CG1 3.98Å; A58-I111 HydrophobicContact CB-CD1 4.09Å; A58-I111 HydrophobicContact CB-CG1 3.76Å; V61-I111 HydrophobicContact CB-CG2 4.23Å; V61-I111 HydrophobicContact CG1-CG2 3.82Å; W107-I111 VanDerWaalsContact O-CG1 3.25Å; W107-I111 WeakPolarHBondContact O-CG1 3.38Å; W107-I111 PolarHBondContact O-N 3.13Å; T108-I111 PolarHBondContact O-N 3.49Å; I111-A113 VanDerWaalsContact C-N 3.3Å; I111-A113 PolarHBondContact O-N 3.38Å; I111-H114 PolarHBondContact O-N 3.2Å; I111-H114 VanDerWaalsContact O-N 3.16Å; I111-L115 HydrophobicContact CG2-CD1 4.11Å; I111-L115 HydrophobicContact CG2-CG 4.22Å; I111-L115 VanDerWaalsContact O-CG 3.3Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.36Å
112A97.9Very high96.1Very high0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-60.4-38.6177.500000112.8I77 C79 T108 S109 L115 G116 L126 L128I77-A112 HydrophobicContact CG2-CB 4.18Å; C79-A112 HydrophobicContact CB-CB 3.6Å; T108-A112 WeakPolarHBondContact O-CB 3.33Å; T108-A112 PolarHBondContact O-N 3.35Å; S109-A112 PolarHBondContact O-N 3.3Å; A112-L115 PolarHBondContact O-N 3.47Å; A112-G116 PolarHBondContact O-N 3.05Å; A112-L126 HydrophobicContact CB-CD1 4.32Å; A112-L128 HydrophobicContact CB-CD2 4.32Å
113A97.7Very high95.9Very high12 Ų1230.4 Ų30.410%0.09916%0.159CC..Hα-helixtrans-62.7-43.1174.400000112.1S109 A110 I111 G116 S117 L126 L158S109-A113 WeakPolarHBondContact O-CB 3.19Å; S109-A113 PolarHBondContact O-N 2.89Å; A110-A113 PolarHBondContact O-N 3.41Å; I111-A113 VanDerWaalsContact C-N 3.3Å; I111-A113 PolarHBondContact O-N 3.38Å; A113-G116 WeakPolarHBondContact O-CA 3.49Å; A113-G116 PolarHBondContact O-N 3.35Å; A113-G116 VanDerWaalsContact O-N 3.12Å; A113-S117 PolarHBondContact O-N 2.57Å; A113-S117 VanDerWaalsContact O-N 3.1Å; A113-L126 HydrophobicContact CB-CD2 4.25Å; A113-L158 HydrophobicContact CB-CD1 3.63Å; A113-L158 HydrophobicContact CB-CD2 4.09Å
114H97.7Very high96Very high97 Ų9729 Ų2945%0.44915%0.153SC..Hα-helixtrans-68.9-38.6175.9-170.165000112.8A110 I111 G116 S117 L118A110-H114 PolarHBondContact O-N 3.43Å; I111-H114 PolarHBondContact O-N 3.2Å; I111-H114 VanDerWaalsContact O-N 3.16Å; H114-G116 PolarHBondContact O-N 3.41Å; H114-S117 PolarHBondContact O-N 2.98Å; H114-S117 PolarHBondContact O-OG 3.15Å; H114-L118 WeakPolarHBondContact O-CG 3.22Å; H114-L118 PolarHBondContact O-N 3.38Å
115L97.7Very high96.2Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-59.7-35.1169.4-67.2175.8000110.8I34 V61 V62 V65 I77 I111 A112 L118 F119I34-L115 HydrophobicContact CD1-CD1 3.77Å; V61-L115 HydrophobicContact CG1-CD1 4.42Å; V62-L115 HydrophobicContact CB-CD2 4.38Å; V62-L115 HydrophobicContact CG2-CD2 3.91Å; V65-L115 HydrophobicContact CB-CD2 3.9Å; V65-L115 HydrophobicContact CG1-CD2 3.85Å; V65-L115 HydrophobicContact CG2-CD1 4.12Å; V65-L115 HydrophobicContact CG2-CD2 4.12Å; I77-L115 VanDerWaalsContact CD1-C 3.44Å; I77-L115 HydrophobicContact CD1-CB 3.74Å; I77-L115 WeakPolarHBondContact CD1-O 3.36Å; I111-L115 HydrophobicContact CG2-CD1 4.11Å; I111-L115 HydrophobicContact CG2-CG 4.22Å; I111-L115 VanDerWaalsContact O-CG 3.3Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.36Å; A112-L115 PolarHBondContact O-N 3.47Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-F119 HydrophobicContact CB-CD2 4.25Å; L115-F119 HydrophobicContact CD2-CD2 3.84Å; L115-F119 HydrophobicContact CD2-CE2 3.61Å; L115-F119 WeakPolarHBondContact O-CB 3.29Å; L115-F119 WeakPolarHBondContact O-CD2 3.38Å; L115-F119 PolarHBondContact O-N 3.19Å
116G96.5Very high96.3Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-60.4-48.3175.400000112.8A112 A113 H114 L118 L120A112-G116 PolarHBondContact O-N 3.05Å; A113-G116 WeakPolarHBondContact O-CA 3.49Å; A113-G116 PolarHBondContact O-N 3.35Å; A113-G116 VanDerWaalsContact O-N 3.12Å; H114-G116 PolarHBondContact O-N 3.41Å; G116-L118 PolarHBondContact O-N 2.57Å; G116-L120 VanDerWaalsContact O-CB 3.29Å; G116-L120 WeakPolarHBondContact O-CB 3.47Å; G116-L120 PolarHBondContact O-N 3.41Å; G116-L120 VanDerWaalsContact O-N 3.17Å
117S95.9Very high96.4Very high42 Ų4224.9 Ų24.929%0.29413%0.134SC..Hα-helixtrans-63.4-29.4177.966.70000113.1A113 H114 G164A113-S117 PolarHBondContact O-N 2.57Å; A113-S117 VanDerWaalsContact O-N 3.1Å; H114-S117 PolarHBondContact O-N 2.98Å; H114-S117 PolarHBondContact O-OG 3.15Å; S117-G164 WeakPolarHBondContact CB-O 3.49Å
118L95.8Very high96.4Very high54 Ų5423.7 Ų23.728%0.28313%0.129SC..Hα-helixtrans-85-48.2-179.7-64.4176.1000113V62 K73 H114 L115 G116V62-L118 HydrophobicContact CG1-CD1 3.76Å; K73-L118 PolarHBondContact NZ-O 2.86Å; H114-L118 WeakPolarHBondContact O-CG 3.22Å; H114-L118 PolarHBondContact O-N 3.38Å; L115-L118 PolarHBondContact O-N 3.06Å; G116-L118 PolarHBondContact O-N 2.57Å
119F96.3Very high96.4Very high19 Ų1923.9 Ų23.98%0.08313%0.13CC..Hα-helixtrans-115.5-12.8-160.7-55-66.2000115.1V65 R66 V69 K73 V74 L115V65-F119 HydrophobicContact CG1-CD2 3.96Å; V65-F119 HydrophobicContact CG1-CE2 3.87Å; V65-F119 HydrophobicContact CG1-CZ 4.49Å; R66-F119 HydrophobicContact CB-CE1 4.29Å; R66-F119 HydrophobicContact CB-CZ 3.8Å; R66-F119 HydrophobicContact CG-CE1 4.26Å; R66-F119 HydrophobicContact CG-CZ 4.15Å; V69-F119 HydrophobicContact CG2-CD1 3.88Å; V69-F119 HydrophobicContact CG2-CE1 4.13Å; V69-F119 HydrophobicContact CG2-CG 4.16Å; K73-F119 CarbonylContact C-O 3.56Å; K73-F119 VanDerWaalsContact CA-O 3.29Å; K73-F119 WeakPolarHBondContact CA-O 3.41Å; K73-F119 VanDerWaalsContact CD-O 3.29Å; K73-F119 WeakPolarHBondContact CD-O 3.46Å; V74-F119 HydrophobicContact CG2-CB 4.28Å; V74-F119 WeakPolarHBondContact CG2-O 3.45Å; V74-F119 PolarHBondContact N-O 2.84Å; L115-F119 HydrophobicContact CB-CD2 4.25Å; L115-F119 HydrophobicContact CD2-CD2 3.84Å; L115-F119 HydrophobicContact CD2-CE2 3.61Å; L115-F119 WeakPolarHBondContact O-CB 3.29Å; L115-F119 WeakPolarHBondContact O-CD2 3.38Å; L115-F119 PolarHBondContact O-N 3.19Å
120L95.8Very high96.2Very high0 Ų023.9 Ų23.90%013%0.13CC..EExtended strand (participates in β ladder)trans-66.6143.8174.1-81.1157.9000111.3K73 I77 G116 L126 L165 P166K73-L120 VanDerWaalsContact CD-O 3.29Å; K73-L120 WeakPolarHBondContact CD-O 3.29Å; K73-L120 WeakPolarHBondContact CE-O 3.34Å; K73-L120 PolarHBondContact NZ-O 2.99Å; I77-L120 HydrophobicContact CD1-CD1 4.5Å; I77-L120 HydrophobicContact CD1-CG 4.15Å; I77-L120 HydrophobicContact CG1-CD2 4.24Å; I77-L120 HydrophobicContact CG1-CG 4.1Å; G116-L120 VanDerWaalsContact O-CB 3.29Å; G116-L120 WeakPolarHBondContact O-CB 3.47Å; G116-L120 PolarHBondContact O-N 3.41Å; G116-L120 VanDerWaalsContact O-N 3.17Å; L120-L126 HydrophobicContact CD1-CB 3.93Å; L120-L165 HydrophobicContact CD1-CD2 4.39Å; L120-P166 HydrophobicContact CB-CG 4.01Å; L120-P166 WeakPolarHBondContact O-CG 3.31Å
121K94.4Very high96Very high52 Ų5222.7 Ų22.723%0.22612%0.121CC..EExtended strand (participates in β ladder)trans-61.3162.8161.2-66.7178.6-175177.40110K73 V74 D75 D123 G124K73-K121 HydrophobicContact CB-CG 3.62Å; V74-K121 PolarHBondContact O-N 3.03Å; D75-K121 VanDerWaalsContact CG-NZ 3.25Å; D75-K121 WeakPolarHBondContact OD1-CE 3.33Å; D75-K121 IonicContact OD1-NZ 2.65Å; D75-K121 PolarHBondContact OD1-NZ 3.48Å; D75-K121 IonicContact OD2-NZ 3.19Å; D75-K121 PolarHBondContact OD2-NZ 3.33Å; K121-D123 VanDerWaalsContact C-N 3.35Å; K121-D123 PolarHBondContact O-N 2.88Å; K121-G124 PolarHBondContact O-N 2.91Å
122D91.5Very high95.6Very high97 Ų9725.3 Ų25.352%0.51913%0.132SC..EExtended strand (participates in β ladder)trans-54-52.7177.4-68.1-13.7000110G124 P167 E168 A169D122-G124 PolarHBondContact O-N 3.14Å; D122-G124 VanDerWaalsContact O-N 3.13Å; D122-P167 CarbonylContact C-O 3.5Å; D122-P167 VanDerWaalsContact CA-O 3.22Å; D122-P167 WeakPolarHBondContact CA-O 3.47Å; D122-P167 VanDerWaalsContact CB-O 3.31Å; D122-P167 WeakPolarHBondContact CB-O 3.37Å; D122-P167 CarbonylContact O-C 3.48Å; D122-E168 CarbonylContact O-C 3.49Å; D122-A169 WeakPolarHBondContact O-CA 3.46Å; D122-A169 WeakPolarHBondContact O-CB 3.34Å; D122-A169 PolarHBondContact O-N 3.14Å
123D91.9Very high95.1Very high80 Ų8026.8 Ų26.843%0.42815%0.147SC..EExtended strand (participates in β ladder)trans-83.319.9176.270.1-28.2000114.8K121 R216K121-D123 VanDerWaalsContact C-N 3.35Å; K121-D123 PolarHBondContact O-N 2.88Å; D123-R216 PolarHBondContact O-NH1 3.34Å; D123-R216 PolarHBondContact O-NH2 3.48Å
124G94.7Very high94.8Very high1 Ų126.9 Ų26.91%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-73.3163.2-172.400000115.1D75 K121 D122 A169 S170D75-G124 WeakPolarHBondContact O-CA 3.43Å; K121-G124 PolarHBondContact O-N 2.91Å; D122-G124 PolarHBondContact O-N 3.14Å; D122-G124 VanDerWaalsContact O-N 3.13Å; G124-A169 WeakPolarHBondContact O-CA 3.5Å; G124-S170 PolarHBondContact O-N 3.36Å
125L97.3Very high94.4Very high1 Ų125.3 Ų25.31%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-113.4120.9179.3-175.667.7000113D75 A76 I77 V127 V172 W209 I210D75-L125 PolarHBondContact O-N 2.81Å; A76-L125 CarbonylContact C-O 3.29Å; A76-L125 WeakPolarHBondContact CA-O 3.34Å; A76-L125 HydrophobicContact CB-CB 4.36Å; I77-L125 PolarHBondContact N-O 3.17Å; L125-V127 HydrophobicContact CD1-CG2 4.37Å; L125-V127 HydrophobicContact CD2-CG2 3.73Å; L125-V127 HydrophobicContact CG-CG2 3.74Å; L125-V172 HydrophobicContact CD1-CG2 3.92Å; L125-W209 HydrophobicContact CD2-CB 3.8Å; L125-I210 HydrophobicContact CB-CG1 4.37Å; L125-I210 HydrophobicContact CD2-CG1 3.7Å
126L98.2Very high93.9Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-97.9122.2166.1177.264000109.7I77 A112 A113 L120 L128 L158 L165 S170 A171 V172I77-L126 HydrophobicContact CB-CD1 4.03Å; I77-L126 HydrophobicContact CG2-CD1 4.09Å; I77-L126 WeakPolarHBondContact O-CA 3.49Å; A112-L126 HydrophobicContact CB-CD1 4.32Å; A113-L126 HydrophobicContact CB-CD2 4.25Å; L120-L126 HydrophobicContact CD1-CB 3.93Å; L126-L128 HydrophobicContact CD1-CD2 4.19Å; L126-L128 HydrophobicContact CG-CD2 4.38Å; L126-L158 HydrophobicContact CD2-CD1 3.86Å; L126-L165 HydrophobicContact CD2-CD1 4.28Å; L126-L165 HydrophobicContact CD2-CD2 4.33Å; L126-S170 PolarHBondContact N-O 3.01Å; L126-A171 HydrophobicContact CB-CB 4.47Å; L126-A171 HydrophobicContact CD2-CB 4.35Å; L126-A171 CarbonylContact O-C 3.6Å; L126-A171 WeakPolarHBondContact O-CA 3.38Å; L126-V172 PolarHBondContact O-N 2.82Å
127V98Very high93.4Very high0 Ų035.6 Ų35.60%021%0.211CC..EExtended strand (participates in β ladder)trans-115.2124.5175.3-1760000110.3I77 L78 C79 L125 V172 I174 L206I77-V127 PolarHBondContact O-N 3.27Å; L78-V127 HydrophobicContact CD2-CB 3.67Å; L78-V127 HydrophobicContact CD2-CG2 3.48Å; L78-V127 VanDerWaalsContact CD2-CG2 3.48Å; C79-V127 PolarHBondContact N-O 3.09Å; L125-V127 HydrophobicContact CD1-CG2 4.37Å; L125-V127 HydrophobicContact CD2-CG2 3.73Å; L125-V127 HydrophobicContact CG-CG2 3.74Å; V127-V172 CarbonylContact C-O 2.97Å; V127-V172 VanDerWaalsContact CA-O 3.31Å; V127-V172 WeakPolarHBondContact CA-O 2.93Å; V127-I174 HydrophobicContact CG1-CD1 4.46Å; V127-I174 HydrophobicContact CG1-CG1 4.22Å; V127-I174 HydrophobicContact CG1-CG2 4.03Å; V127-L206 HydrophobicContact CG1-CD2 4.1Å; V127-L206 HydrophobicContact CG2-CD2 3.98Å
128L97.8Very high93.1Very high1 Ų134.5 Ų34.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-107.6157.9171.8-57.6-176.7000110.3C79 A112 L126 V151 M154 L158 V172 C173 I174C79-L128 HydrophobicContact CB-CD2 3.77Å; A112-L128 HydrophobicContact CB-CD2 4.32Å; L126-L128 HydrophobicContact CD1-CD2 4.19Å; L126-L128 HydrophobicContact CG-CD2 4.38Å; L128-V151 HydrophobicContact CB-CG1 3.87Å; L128-V151 HydrophobicContact CD1-CG1 4.3Å; L128-M154 HydrophobicContact CD1-CG 4.46Å; L128-M154 HydrophobicContact CD1-SD 4.35Å; L128-L158 HydrophobicContact CD1-CD1 4.05Å; L128-V172 PolarHBondContact N-O 3.39Å; L128-C173 CarbonylContact O-C 3.59Å; L128-C173 VanDerWaalsContact O-CA 3.3Å; L128-C173 WeakPolarHBondContact O-CA 3.33Å; L128-I174 PolarHBondContact O-N 2.94Å
129T95.6Very high92.9Very high14 Ų1436.7 Ų36.79%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-113.9107.6-178.6-53.80000111.5C79 V80 K148 I174 P176C79-T129 PolarHBondContact O-N 3.31Å; C79-T129 PolarHBondContact O-OG1 2.7Å; V80-T129 WeakPolarHBondContact CA-OG1 3.19Å; T129-K148 PolarHBondContact O-NZ 3.22Å; T129-I174 HydrophobicContact CG2-CG1 4.25Å; T129-P176 HydrophobicContact CG2-CG 4.48Å
130G94.7Very high92.6Very high1 Ų138.1 Ų38.11%0.0124%0.24CC..  trans-92-158.5173.400000112.1H152 C173 I174G130-H152 WeakPolarHBondContact CA-NE2 3.31Å; G130-C173 VanDerWaalsContact CA-SG 3.58Å; G130-C173 PolarHBondContact N-SG 3.37Å; G130-I174 PolarHBondContact N-O 3.4Å
131A92.1Very high92.4Very high3 Ų340.6 Ų40.63%0.02525%0.253CS..  trans-144.4138.9167.700000110.7G133 A134 Y144 K148 H152A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.26Å; A131-A134 HydrophobicContact CB-CB 4.43Å; A131-A134 PolarHBondContact O-N 2.82Å; A131-Y144 HydrophobicContact CB-CE1 3.61Å; A131-Y144 VanDerWaalsContact CB-OH 3.29Å; A131-Y144 WeakPolarHBondContact CB-OH 3.34Å; A131-K148 HydrophobicContact CB-CB 4.13Å; A131-K148 HydrophobicContact CB-CD 4.44Å; A131-K148 HydrophobicContact CB-CG 3.8Å; A131-H152 PolarHBondContact N-NE2 2.96Å; A131-H152 PolarHBondContact O-CE1 3.33Å; A131-H152 PolarHBondContact O-NE2 3.16Å
132F90.4Very high92.3Very high58 Ų5840.4 Ų40.425%0.25426%0.256SS..G310 helixtrans-60.3-41178179.2-109.6000111.9A134 L135 L175 E177 H224F132-A134 PolarHBondContact O-N 2.96Å; F132-L135 HydrophobicContact CD2-CD1 3.7Å; F132-L135 HydrophobicContact CE2-CD1 3.84Å; F132-L135 WeakPolarHBondContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CG 3.5Å; F132-L135 PolarHBondContact O-N 2.94Å; F132-L135 VanDerWaalsContact O-N 3.09Å; F132-L175 HydrophobicContact CB-CB 4.35Å; F132-E177 HydrophobicContact CB-CG 4.09Å; F132-E177 HydrophobicContact CD1-CG 3.81Å; F132-E177 HydrophobicContact CG-CG 4.26Å; F132-H224 AromaticContact CD1-CE1 3.92Å; F132-H224 AromaticContact CD1-NE2 3.93Å; F132-H224 HydrophobicContact CD2-CB 4.01Å; F132-H224 AromaticContact CD2-CD2 3.66Å; F132-H224 AromaticContact CD2-CE1 3.62Å; F132-H224 AromaticContact CD2-CG 3.46Å; F132-H224 VanDerWaalsContact CD2-CG 3.46Å; F132-H224 AromaticContact CD2-ND1 3.43Å; F132-H224 WeakPolarHBondContact CD2-ND1 3.48Å; F132-H224 AromaticContact CD2-NE2 3.78Å; F132-H224 AromaticContact CE1-CE1 3.86Å; F132-H224 HydrophobicContact CE2-CB 4.39Å; F132-H224 AromaticContact CE2-CE1 3.56Å; F132-H224 AromaticContact CE2-CG 3.8Å; F132-H224 AromaticContact CE2-ND1 3.29Å; F132-H224 VanDerWaalsContact CE2-ND1 3.29Å; F132-H224 WeakPolarHBondContact CE2-ND1 3.44Å; F132-H224 AromaticContact CG-CD2 3.8Å; F132-H224 AromaticContact CG-CE1 3.81Å; F132-H224 AromaticContact CG-NE2 3.65Å; F132-H224 AromaticContact CZ-CE1 3.69Å; F132-H224 AromaticContact CZ-ND1 3.83Å
133G87.8Confident92.5Very high31 Ų3136 Ų3632%0.3223%0.233SC..G310 helixtrans-60.7-19.6178.800000115A131 L135 T138A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.26Å; G133-L135 VanDerWaalsContact C-N 3.31Å; G133-T138 WeakPolarHBondContact O-CG2 3.42Å
134A91.6Very high92.6Very high13 Ų1333.7 Ų33.711%0.10722%0.218CC..G310 helixtrans-84.7-0.717900000114A131 F132 K148A131-A134 HydrophobicContact CB-CB 4.43Å; A131-A134 PolarHBondContact O-N 2.82Å; F132-A134 PolarHBondContact O-N 2.96Å; A134-K148 HydrophobicContact CB-CB 3.62Å
135L88.3Confident92.5Very high64 Ų6433.9 Ų33.934%0.33522%0.22SC..G310 helixtrans-73-16.7168.6-65.6174000112.5F132 G133 L175 L222 C237F132-L135 HydrophobicContact CD2-CD1 3.7Å; F132-L135 HydrophobicContact CE2-CD1 3.84Å; F132-L135 WeakPolarHBondContact O-CB 3.31Å; F132-L135 WeakPolarHBondContact O-CG 3.5Å; F132-L135 PolarHBondContact O-N 2.94Å; F132-L135 VanDerWaalsContact O-N 3.09Å; G133-L135 VanDerWaalsContact C-N 3.31Å; L135-L175 HydrophobicContact CD1-CD1 4.07Å; L135-L222 HydrophobicContact CD2-CD1 4.09Å; L135-C237 HydrophobicContact CD1-CB 4.36Å; L135-C237 VanDerWaalsContact CD1-SG 3.57Å
136N87.4Confident92.4Very high120 Ų12038 Ų3864%0.64224%0.24SC*.SBendtrans-124.4175.9179.6-66.1-56.4000110.6
137A86.2Confident92.4Very high96 Ų9638 Ų3879%0.79324%0.24SC*.  trans-61.6135.5174.100000111.8P139A137-P139 VanDerWaalsContact C-CD 3.45Å; A137-P139 VanDerWaalsContact O-CD 3.26Å; A137-P139 WeakPolarHBondContact O-CD 3.43Å
138T89.9Confident92.3Very high19 Ų1938.2 Ų38.212%0.11724%0.241CC..  trans-119.765-175.457.80000113.2G133 G140 M141 V142 G145G133-T138 WeakPolarHBondContact O-CG2 3.42Å; T138-G140 VanDerWaalsContact C-N 3.28Å; T138-G140 PolarHBondContact O-N 3.22Å; T138-M141 HydrophobicContact CG2-CE 3.97Å; T138-M141 HydrophobicContact CG2-CG 4.15Å; T138-M141 CarbonylContact O-C 3.54Å; T138-M141 VanDerWaalsContact O-C 3.29Å; T138-M141 PolarHBondContact O-N 3.49Å; T138-M141 PolarHBondContact OG1-O 2.88Å; T138-V142 WeakPolarHBondContact O-CA 3.36Å; T138-V142 WeakPolarHBondContact O-CG2 3.47Å; T138-V142 PolarHBondContact O-N 2.97Å; T138-V142 VanDerWaalsContact O-N 3.09Å; T138-G145 WeakPolarHBondContact OG1-CA 3.12Å
139P90.3Very high92.1Very high100 Ų10040.2 Ų40.265%0.64926%0.257SS*.THydrogen-bonded Turntrans-62.1-30.1-171.423.9-33.9000114.2N88 A137 V142N88-P139 WeakPolarHBondContact CB-O 3.42Å; A137-P139 VanDerWaalsContact C-CD 3.45Å; A137-P139 VanDerWaalsContact O-CD 3.26Å; A137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-V142 WeakPolarHBondContact O-CG2 3.41Å
140G90Very high92.2Very high50 Ų5040.9 Ų40.952%0.51527%0.265SS..THydrogen-bonded Turntrans-89.6-0.1177.300000115.2G87 T138G87-G140 PolarHBondContact N-O 3.49Å; G87-G140 CarbonylContact O-C 3.55Å; G87-G140 VanDerWaalsContact O-C 3.25Å; T138-G140 VanDerWaalsContact C-N 3.28Å; T138-G140 PolarHBondContact O-N 3.22Å
141M92Very high92.4Very high52 Ų5240.9 Ų40.926%0.25626%0.264SS..BIsolated β-bridgetrans-153.148.1-177.859.8-171.2158.900110.6G87 T138 A143 Y144 G145G87-M141 CarbonylContact O-C 3.57Å; G87-M141 WeakPolarHBondContact O-CA 3.46Å; G87-M141 PolarHBondContact O-N 2.95Å; T138-M141 HydrophobicContact CG2-CE 3.97Å; T138-M141 HydrophobicContact CG2-CG 4.15Å; T138-M141 CarbonylContact O-C 3.54Å; T138-M141 VanDerWaalsContact O-C 3.29Å; T138-M141 PolarHBondContact O-N 3.49Å; T138-M141 PolarHBondContact OG1-O 2.88Å; M141-A143 PolarHBondContact O-N 2.88Å; M141-Y144 HydrophobicContact CG-CD1 4.4Å; M141-Y144 PolarHBondContact O-N 2.92Å; M141-Y144 VanDerWaalsContact O-N 3.13Å; M141-Y144 HydrophobicContact SD-CD1 4.05Å; M141-G145 PolarHBondContact O-N 3.37Å
142V93.4Very high92.6Very high48 Ų4841.2 Ų41.229%0.29127%0.265SS..Hα-helixtrans-57.3-47.4-168.91740000111.7G87 F94 T138 P139 Y144 G145 M146G87-V142 PolarHBondContact O-N 2.89Å; F94-V142 HydrophobicContact CE2-CB 3.93Å; F94-V142 HydrophobicContact CE2-CG1 3.89Å; F94-V142 HydrophobicContact CZ-CG1 3.98Å; T138-V142 WeakPolarHBondContact O-CA 3.36Å; T138-V142 WeakPolarHBondContact O-CG2 3.47Å; T138-V142 PolarHBondContact O-N 2.97Å; T138-V142 VanDerWaalsContact O-N 3.09Å; P139-V142 WeakPolarHBondContact O-CG2 3.41Å; V142-Y144 VanDerWaalsContact C-N 3.34Å; V142-Y144 PolarHBondContact O-N 2.83Å; V142-G145 PolarHBondContact O-N 3.44Å; V142-M146 WeakPolarHBondContact O-CB 3.5Å; V142-M146 PolarHBondContact O-N 2.96Å
143A94.2Very high92.9Very high4 Ų443.9 Ų43.93%0.03328%0.278CS..Hα-helixtrans-59.8-43.8178.400000112.3C98 V101 M141 A147C98-A143 HydrophobicContact CB-CB 4.42Å; V101-A143 HydrophobicContact CG2-CB 3.74Å; M141-A143 PolarHBondContact O-N 2.88Å; A143-A147 PolarHBondContact O-N 2.81Å; A143-A147 VanDerWaalsContact O-N 3.13Å
144Y94.7Very high93.3Very high32 Ų3244.5 Ų44.513%0.12527%0.274CS..Hα-helixtrans-67.5-46.9179.7175.9-95.9000111.7G83 W84 V85 V101 A131 M141 V142 M146 A147 K148G83-Y144 WeakPolarHBondContact O-CD2 3.3Å; G83-Y144 WeakPolarHBondContact O-CE2 3.15Å; W84-Y144 HydrophobicContact CB-CE2 4.29Å; W84-Y144 AromaticContact CD1-CE2 3.99Å; W84-Y144 AromaticContact CD1-CZ 3.96Å; W84-Y144 HydrophobicContact CG-CE2 4.49Å; V85-Y144 WeakPolarHBondContact O-CB 3.43Å; V101-Y144 HydrophobicContact CG1-CD2 4.09Å; A131-Y144 HydrophobicContact CB-CE1 3.61Å; A131-Y144 VanDerWaalsContact CB-OH 3.29Å; A131-Y144 WeakPolarHBondContact CB-OH 3.34Å; M141-Y144 HydrophobicContact CG-CD1 4.4Å; M141-Y144 PolarHBondContact O-N 2.92Å; M141-Y144 VanDerWaalsContact O-N 3.13Å; M141-Y144 HydrophobicContact SD-CD1 4.05Å; V142-Y144 VanDerWaalsContact C-N 3.34Å; V142-Y144 PolarHBondContact O-N 2.83Å; Y144-M146 VanDerWaalsContact C-N 3.35Å; Y144-M146 PolarHBondContact O-N 2.9Å; Y144-A147 PolarHBondContact O-N 3.27Å; Y144-K148 HydrophobicContact CD1-CG 4.32Å; Y144-K148 HydrophobicContact CD2-CG 4.36Å; Y144-K148 HydrophobicContact CE1-CG 3.96Å; Y144-K148 HydrophobicContact CE2-CD 4.48Å; Y144-K148 HydrophobicContact CE2-CG 4.03Å; Y144-K148 WeakPolarHBondContact O-CG 3.45Å; Y144-K148 PolarHBondContact O-N 2.93Å
145G93.7Very high93.6Very high4 Ų443.9 Ų43.94%0.04127%0.269CS..Hα-helixtrans-59.1-45177.200000112.2T138 M141 V142 A147 K148 A149T138-G145 WeakPolarHBondContact OG1-CA 3.12Å; M141-G145 PolarHBondContact O-N 3.37Å; V142-G145 PolarHBondContact O-N 3.44Å; G145-A147 PolarHBondContact O-N 2.84Å; G145-K148 PolarHBondContact O-N 2.9Å; G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.15Å
146M95Very high93.9Very high88 Ų8845.7 Ų45.743%0.43327%0.274SS..Hα-helixtrans-57.3-50.5175.2-179.4-174.970.900112.2C98 W102 V142 Y144 K148 A149 A150C98-M146 HydrophobicContact CB-CE 4.34Å; W102-M146 HydrophobicContact CE3-CE 4.13Å; W102-M146 HydrophobicContact CZ3-CE 4.29Å; W102-M146 HydrophobicContact CZ3-CG 4.5Å; V142-M146 WeakPolarHBondContact O-CB 3.5Å; V142-M146 PolarHBondContact O-N 2.96Å; Y144-M146 VanDerWaalsContact C-N 3.35Å; Y144-M146 PolarHBondContact O-N 2.9Å; M146-K148 PolarHBondContact O-N 3.06Å; M146-A149 PolarHBondContact O-N 3.03Å; M146-A150 PolarHBondContact O-N 2.9Å; M146-A150 VanDerWaalsContact O-N 3.1Å
147A96.5Very high94.3Very high0 Ų043.1 Ų43.10%027%0.265CS..Hα-helixtrans-64.3-39.8-179.600000112.2V101 V106 A143 Y144 G145 A150 V151V101-A147 HydrophobicContact CB-CB 4.09Å; V106-A147 HydrophobicContact CG2-CB 4.18Å; A143-A147 PolarHBondContact O-N 2.81Å; A143-A147 VanDerWaalsContact O-N 3.13Å; Y144-A147 PolarHBondContact O-N 3.27Å; G145-A147 PolarHBondContact O-N 2.84Å; A147-A150 WeakPolarHBondContact O-CB 3.16Å; A147-A150 PolarHBondContact O-N 2.94Å; A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 2.9Å
148K96.1Very high94.8Very high5 Ų539.5 Ų39.52%0.02223%0.232CC..Hα-helixtrans-71-37.4178-68.7-53.3-162.3-1730112.7S105 T129 A131 A134 Y144 G145 M146 A150 V151 H152S105-K148 PolarHBondContact OG-NZ 3.27Å; S105-K148 VanDerWaalsContact OG-NZ 3.16Å; T129-K148 PolarHBondContact O-NZ 3.22Å; A131-K148 HydrophobicContact CB-CB 4.13Å; A131-K148 HydrophobicContact CB-CD 4.44Å; A131-K148 HydrophobicContact CB-CG 3.8Å; A134-K148 HydrophobicContact CB-CB 3.62Å; Y144-K148 HydrophobicContact CD1-CG 4.32Å; Y144-K148 HydrophobicContact CD2-CG 4.36Å; Y144-K148 HydrophobicContact CE1-CG 3.96Å; Y144-K148 HydrophobicContact CE2-CD 4.48Å; Y144-K148 HydrophobicContact CE2-CG 4.03Å; Y144-K148 WeakPolarHBondContact O-CG 3.45Å; Y144-K148 PolarHBondContact O-N 2.93Å; G145-K148 PolarHBondContact O-N 2.9Å; M146-K148 PolarHBondContact O-N 3.06Å; K148-A150 VanDerWaalsContact C-N 3.29Å; K148-A150 PolarHBondContact O-N 3.4Å; K148-V151 WeakPolarHBondContact O-CB 3.43Å; K148-V151 PolarHBondContact O-N 3.24Å; K148-V151 VanDerWaalsContact O-N 3.15Å; K148-H152 PolarHBondContact O-CD2 3.36Å; K148-H152 PolarHBondContact O-N 3.06Å
149A95.2Very high95Very high42 Ų4239.5 Ų39.535%0.34724%0.236SC..Hα-helixtrans-61.4-37.6172.500000112G145 M146 V151 H152 Q153G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.15Å; M146-A149 PolarHBondContact O-N 3.03Å; A149-V151 VanDerWaalsContact C-N 3.35Å; A149-V151 PolarHBondContact O-N 3.09Å; A149-H152 WeakPolarHBondContact O-CB 3.43Å; A149-H152 PolarHBondContact O-N 2.94Å; A149-Q153 PolarHBondContact O-N 2.87Å
150A97Very high95.2Very high29 Ų2941.2 Ų41.224%0.2424%0.235CC..Hα-helixtrans-62-40.9173.300000112.2W102 V106 M146 A147 K148 Q153 M154W102-A150 HydrophobicContact CH2-CB 4.22Å; W102-A150 HydrophobicContact CZ3-CB 4.24Å; V106-A150 HydrophobicContact CG2-CB 4.04Å; M146-A150 PolarHBondContact O-N 2.9Å; M146-A150 VanDerWaalsContact O-N 3.1Å; A147-A150 WeakPolarHBondContact O-CB 3.16Å; A147-A150 PolarHBondContact O-N 2.94Å; K148-A150 VanDerWaalsContact C-N 3.29Å; K148-A150 PolarHBondContact O-N 3.4Å; A150-Q153 PolarHBondContact O-N 3.28Å; A150-M154 WeakPolarHBondContact O-CB 3.48Å; A150-M154 PolarHBondContact O-N 2.76Å
151V97.6Very high95Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-65.8-38.7174.4177.30000111.6S105 L128 A147 K148 A149 M154 T155S105-V151 WeakPolarHBondContact O-CG2 3.45Å; L128-V151 HydrophobicContact CB-CG1 3.87Å; L128-V151 HydrophobicContact CD1-CG1 4.3Å; A147-V151 WeakPolarHBondContact O-CG2 3.42Å; A147-V151 PolarHBondContact O-N 2.9Å; K148-V151 WeakPolarHBondContact O-CB 3.43Å; K148-V151 PolarHBondContact O-N 3.24Å; K148-V151 VanDerWaalsContact O-N 3.15Å; A149-V151 VanDerWaalsContact C-N 3.35Å; A149-V151 PolarHBondContact O-N 3.09Å; V151-M154 PolarHBondContact O-N 3.38Å; V151-T155 PolarHBondContact O-N 2.84Å; V151-T155 PolarHBondContact O-OG1 2.78Å
152H96.5Very high95Very high11 Ų1155 Ų555%0.05128%0.282CS..Hα-helixtrans-60.3-48175-59.6171.6000111.3G130 A131 K148 A149 T155 K156 L175 L222G130-H152 WeakPolarHBondContact CA-NE2 3.31Å; A131-H152 PolarHBondContact N-NE2 2.96Å; A131-H152 PolarHBondContact O-CE1 3.33Å; A131-H152 PolarHBondContact O-NE2 3.16Å; K148-H152 PolarHBondContact O-CD2 3.36Å; K148-H152 PolarHBondContact O-N 3.06Å; A149-H152 WeakPolarHBondContact O-CB 3.43Å; A149-H152 PolarHBondContact O-N 2.94Å; H152-T155 WeakPolarHBondContact O-CB 3.45Å; H152-T155 PolarHBondContact O-N 3.02Å; H152-K156 PolarHBondContact O-N 3.11Å; H152-K156 VanDerWaalsContact O-N 3.09Å; H152-L175 WeakPolarHBondContact NE2-CD2 3.49Å; H152-L222 HydrophobicContact CB-CD1 3.95Å; H152-L222 HydrophobicContact CB-CD2 4Å
153Q96.8Very high95Very high113 Ų11354.8 Ų54.853%0.52828%0.283SS..Hα-helixtrans-63.3-43.2178.3-176.360.514.700111.4A149 A150 T155 K156 S157A149-Q153 PolarHBondContact O-N 2.87Å; A150-Q153 PolarHBondContact O-N 3.28Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 2.98Å; Q153-K156 PolarHBondContact O-N 3.34Å; Q153-S157 PolarHBondContact O-N 3.12Å; Q153-S157 PolarHBondContact O-OG 2.94Å
154M97.3Very high95Very high45 Ų4557 Ų5722%0.22231%0.307CS..Hα-helixtrans-58.4-42.8175.3-175-177.6-6300111.7V106 A110 L128 A150 V151 S157 L158V106-M154 HydrophobicContact CG1-CE 4.39Å; A110-M154 HydrophobicContact CB-CE 4.02Å; A110-M154 HydrophobicContact CB-SD 4.48Å; L128-M154 HydrophobicContact CD1-CG 4.46Å; L128-M154 HydrophobicContact CD1-SD 4.35Å; A150-M154 WeakPolarHBondContact O-CB 3.48Å; A150-M154 PolarHBondContact O-N 2.76Å; V151-M154 PolarHBondContact O-N 3.38Å; M154-S157 PolarHBondContact O-N 3.1Å; M154-L158 HydrophobicContact CG-CD1 3.86Å; M154-L158 HydrophobicContact CG-CG 4.42Å; M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 VanDerWaalsContact O-CG 3.26Å; M154-L158 WeakPolarHBondContact O-CG 3.2Å; M154-L158 PolarHBondContact O-N 3Å
155T97.2Very high95.1Very high0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-60.9-47.6177.5-51.60000110.9V151 H152 Q153 S157 L158 G159 C173 L222V151-T155 PolarHBondContact O-N 2.84Å; V151-T155 PolarHBondContact O-OG1 2.78Å; H152-T155 WeakPolarHBondContact O-CB 3.45Å; H152-T155 PolarHBondContact O-N 3.02Å; Q153-T155 VanDerWaalsContact C-N 3.3Å; Q153-T155 PolarHBondContact O-N 2.98Å; T155-S157 VanDerWaalsContact C-N 3.34Å; T155-S157 PolarHBondContact O-N 3.36Å; T155-L158 PolarHBondContact O-N 3.4Å; T155-G159 PolarHBondContact O-N 3.44Å; T155-C173 HydrophobicContact CG2-CB 3.62Å; T155-C173 WeakPolarHBondContact OG1-CB 3.44Å; T155-L222 HydrophobicContact CG2-CD2 4.41Å
156K95.1Very high95.1Very high102 Ų10257.2 Ų57.244%0.44331%0.309SS..Hα-helixtrans-57.2-48.2177.1-72.1-178.6177.61790111.2H152 Q153 L158 G159H152-K156 PolarHBondContact O-N 3.11Å; H152-K156 VanDerWaalsContact O-N 3.09Å; Q153-K156 PolarHBondContact O-N 3.34Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 2.87Å; K156-G159 PolarHBondContact O-N 3.25Å; K156-G159 VanDerWaalsContact O-N 3.07Å
157S96.4Very high94.8Very high65 Ų6557.3 Ų57.346%0.45532%0.317SS..Hα-helixtrans-62.3-36.8177.9-61.50000113.2Q153 M154 T155 G159 E160Q153-S157 PolarHBondContact O-N 3.12Å; Q153-S157 PolarHBondContact O-OG 2.94Å; M154-S157 PolarHBondContact O-N 3.1Å; T155-S157 VanDerWaalsContact C-N 3.34Å; T155-S157 PolarHBondContact O-N 3.36Å; S157-G159 PolarHBondContact O-N 3.12Å; S157-E160 PolarHBondContact O-N 3.23Å
158L96.9Very high94.5Very high21 Ų2164.9 Ų64.911%0.1135%0.352CS..Hα-helixtrans-69.7-22.9176.4-72.3166000112.8A113 L126 L128 M154 T155 K156 E160 S163 L165 A171A113-L158 HydrophobicContact CB-CD1 3.63Å; A113-L158 HydrophobicContact CB-CD2 4.09Å; L126-L158 HydrophobicContact CD2-CD1 3.86Å; L128-L158 HydrophobicContact CD1-CD1 4.05Å; M154-L158 HydrophobicContact CG-CD1 3.86Å; M154-L158 HydrophobicContact CG-CG 4.42Å; M154-L158 WeakPolarHBondContact O-CB 3.36Å; M154-L158 VanDerWaalsContact O-CG 3.26Å; M154-L158 WeakPolarHBondContact O-CG 3.2Å; M154-L158 PolarHBondContact O-N 3Å; T155-L158 PolarHBondContact O-N 3.4Å; K156-L158 VanDerWaalsContact C-N 3.32Å; K156-L158 PolarHBondContact O-N 2.87Å; L158-E160 VanDerWaalsContact C-N 3.34Å; L158-S163 WeakPolarHBondContact O-CB 3.38Å; L158-S163 PolarHBondContact O-OG 3.15Å; L158-S163 VanDerWaalsContact O-OG 3.1Å; L158-L165 HydrophobicContact CB-CD1 4.16Å; L158-L165 HydrophobicContact CD2-CD1 4.3Å; L158-L165 HydrophobicContact CD2-CG 4.31Å; L158-A171 HydrophobicContact CB-CB 3.65Å
159G93.7Very high94.4Very high19 Ų1965.2 Ų65.220%0.19636%0.356CS..Hα-helixtrans-75.7-18.4176.700000115.3T155 K156 S157 S219T155-G159 PolarHBondContact O-N 3.44Å; K156-G159 PolarHBondContact O-N 3.25Å; K156-G159 VanDerWaalsContact O-N 3.07Å; S157-G159 PolarHBondContact O-N 3.12Å; G159-S219 WeakPolarHBondContact CA-OG 3.29Å
160E94Very high94.3Very high136 Ų13664 Ų6464%0.63635%0.345SS*.SBendtrans-84.7161.2-177.2-68.4-62.5153.800112.8S157 L158 S163S157-E160 PolarHBondContact O-N 3.23Å; L158-E160 VanDerWaalsContact C-N 3.34Å; E160-S163 WeakPolarHBondContact O-CB 3.34Å; E160-S163 PolarHBondContact O-N 2.93Å; E160-S163 PolarHBondContact O-OG 3.2Å
161Q86.3Confident94.4Very high179 Ų17962.6 Ų62.684%0.83633%0.333SS*.THydrogen-bonded Turntrans-59.8146.2169.6-69.6-169.5-4.500110.7S163Q161-S163 VanDerWaalsContact C-N 3.31Å
162K90.8Very high94.3Very high212 Ų21262.6 Ų62.692%0.92233%0.333SS*.THydrogen-bonded Turntrans70.817-174.9-47.9174.3179.5175.20115G164K162-G164 PolarHBondContact O-N 3.2Å
163S93.7Very high94.3Very high44 Ų4462.1 Ų62.131%0.30833%0.331SS..SBendtrans-64.7-19.4172.3620000114.3L158 E160 Q161 L165L158-S163 WeakPolarHBondContact O-CB 3.38Å; L158-S163 PolarHBondContact O-OG 3.15Å; L158-S163 VanDerWaalsContact O-OG 3.1Å; E160-S163 WeakPolarHBondContact O-CB 3.34Å; E160-S163 PolarHBondContact O-N 2.93Å; E160-S163 PolarHBondContact O-OG 3.2Å; Q161-S163 VanDerWaalsContact C-N 3.31Å; S163-L165 VanDerWaalsContact C-N 3.29Å; S163-L165 PolarHBondContact OG-N 3.25Å
164G94.3Very high94.2Very high51 Ų5156.7 Ų56.753%0.52631%0.306SS..SBendtrans84-0-174.900000114S117 K162S117-G164 WeakPolarHBondContact CB-O 3.49Å; K162-G164 PolarHBondContact O-N 3.2Å
165L96.1Very high94.1Very high23 Ų2354.6 Ų54.612%0.1230%0.295CS..SBendtrans-70.6157.1167.3-68.2178.3000111L120 L126 L158 S163 A169 A171L120-L165 HydrophobicContact CD1-CD2 4.39Å; L126-L165 HydrophobicContact CD2-CD1 4.28Å; L126-L165 HydrophobicContact CD2-CD2 4.33Å; L158-L165 HydrophobicContact CB-CD1 4.16Å; L158-L165 HydrophobicContact CD2-CD1 4.3Å; L158-L165 HydrophobicContact CD2-CG 4.31Å; S163-L165 VanDerWaalsContact C-N 3.29Å; S163-L165 PolarHBondContact OG-N 3.25Å; L165-A169 HydrophobicContact CB-CB 4.22Å; L165-A171 HydrophobicContact CD1-CB 3.91Å
166P94.3Very high93.6Very high16 Ų1655.1 Ų55.110%0.10430%0.299CS..PPolyproline II helixtrans-57.3157.1176-23.834.3000113.2L120 E168 A169L120-P166 HydrophobicContact CB-CG 4.01Å; L120-P166 WeakPolarHBondContact O-CG 3.31Å; P166-E168 PolarHBondContact O-N 3.02Å; P166-A169 HydrophobicContact CB-CB 4.17Å; P166-A169 HydrophobicContact CG-CB 4.41Å; P166-A169 WeakPolarHBondContact O-CB 3.5Å; P166-A169 PolarHBondContact O-N 3.18Å; P166-A169 VanDerWaalsContact O-N 3.14Å
167P88.8Confident93.1Very high90 Ų9055.7 Ų55.758%0.58430%0.303SS*.THydrogen-bonded Turntrans-60.3135.4176.7-1528000110.8D122 A169D122-P167 CarbonylContact C-O 3.5Å; D122-P167 VanDerWaalsContact CA-O 3.22Å; D122-P167 WeakPolarHBondContact CA-O 3.47Å; D122-P167 VanDerWaalsContact CB-O 3.31Å; D122-P167 WeakPolarHBondContact CB-O 3.37Å; D122-P167 CarbonylContact O-C 3.48Å; P167-A169 PolarHBondContact O-N 3.16Å
168E89.9Confident92.6Very high159 Ų15954.5 Ų54.574%0.74329%0.293SS*.THydrogen-bonded Turntrans70.21-175.4-51.4-58.1131.800115.9D122 P166D122-E168 CarbonylContact O-C 3.49Å; P166-E168 PolarHBondContact O-N 3.02Å
169A93.7Very high92.3Very high13 Ų1355 Ų5511%0.10730%0.295CS..  trans-72.8141.1177.200000110.2D122 G124 L165 P166 P167D122-A169 WeakPolarHBondContact O-CA 3.46Å; D122-A169 WeakPolarHBondContact O-CB 3.34Å; D122-A169 PolarHBondContact O-N 3.14Å; G124-A169 WeakPolarHBondContact O-CA 3.5Å; L165-A169 HydrophobicContact CB-CB 4.22Å; P166-A169 HydrophobicContact CB-CB 4.17Å; P166-A169 HydrophobicContact CG-CB 4.41Å; P166-A169 WeakPolarHBondContact O-CB 3.5Å; P166-A169 PolarHBondContact O-N 3.18Å; P166-A169 VanDerWaalsContact O-N 3.14Å; P167-A169 PolarHBondContact O-N 3.16Å
170S94.8Very high92.1Very high16 Ų1655.8 Ų55.811%0.11230%0.295CS..EExtended strand (participates in β ladder)trans-110.5131.1-177.6-50.80000110.7G124 L126 R216 S219G124-S170 PolarHBondContact O-N 3.36Å; L126-S170 PolarHBondContact N-O 3.01Å; S170-R216 PolarHBondContact OG-NH1 2.95Å; S170-S219 WeakPolarHBondContact CA-OG 3.5Å
171A97.1Very high91.8Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-106.5123.8169.700000109.9L126 L158 L165 S219 G220L126-A171 HydrophobicContact CB-CB 4.47Å; L126-A171 HydrophobicContact CD2-CB 4.35Å; L126-A171 CarbonylContact O-C 3.6Å; L126-A171 WeakPolarHBondContact O-CA 3.38Å; L158-A171 HydrophobicContact CB-CB 3.65Å; L165-A171 HydrophobicContact CD1-CB 3.91Å; A171-S219 PolarHBondContact N-OG 3.33Å; A171-S219 CarbonylContact O-C 3.53Å; A171-G220 PolarHBondContact O-N 2.75Å
172V96.8Very high91.9Very high0 Ų045.9 Ų45.90%026%0.259CS..EExtended strand (participates in β ladder)trans-134140.9-177-169.70000110.1L125 L126 V127 L128 W209 P217 M223L125-V172 HydrophobicContact CD1-CG2 3.92Å; L126-V172 PolarHBondContact O-N 2.82Å; V127-V172 CarbonylContact C-O 2.97Å; V127-V172 VanDerWaalsContact CA-O 3.31Å; V127-V172 WeakPolarHBondContact CA-O 2.93Å; L128-V172 PolarHBondContact N-O 3.39Å; V172-W209 HydrophobicContact CG1-CH2 4.35Å; V172-W209 HydrophobicContact CG1-CZ3 3.96Å; V172-P217 HydrophobicContact CG1-CB 4.1Å; V172-P217 HydrophobicContact CG1-CG 4.02Å; V172-P217 HydrophobicContact CG2-CB 4.41Å; V172-M223 HydrophobicContact CG1-CB 4.49Å; V172-M223 HydrophobicContact CG1-CG 3.52Å
173C96.6Very high91.6Very high0 Ų039 Ų390%024%0.241CC..EExtended strand (participates in β ladder)trans-106.7122.2174.8-1610000110.2L128 G130 T155 S221 L222 M223L128-C173 CarbonylContact O-C 3.59Å; L128-C173 VanDerWaalsContact O-CA 3.3Å; L128-C173 WeakPolarHBondContact O-CA 3.33Å; G130-C173 VanDerWaalsContact CA-SG 3.58Å; G130-C173 PolarHBondContact N-SG 3.37Å; T155-C173 HydrophobicContact CG2-CB 3.62Å; T155-C173 WeakPolarHBondContact OG1-CB 3.44Å; C173-S221 PolarHBondContact N-O 2.84Å; C173-L222 HydrophobicContact CB-CD2 3.47Å; C173-L222 VanDerWaalsContact CB-CD2 3.47Å; C173-M223 PolarHBondContact O-N 2.88Å
174I95.2Very high91.3Very high0 Ų039.5 Ų39.50%024%0.24CC..EExtended strand (participates in β ladder)trans-84.2136.4168.860.2172000110.2L16 V127 L128 T129 G130 P176 V202 L206 W209 F225L16-I174 HydrophobicContact CD2-CD1 4.36Å; V127-I174 HydrophobicContact CG1-CD1 4.46Å; V127-I174 HydrophobicContact CG1-CG1 4.22Å; V127-I174 HydrophobicContact CG1-CG2 4.03Å; L128-I174 PolarHBondContact O-N 2.94Å; T129-I174 HydrophobicContact CG2-CG1 4.25Å; G130-I174 PolarHBondContact N-O 3.4Å; I174-P176 VanDerWaalsContact C-CD 3.42Å; I174-P176 VanDerWaalsContact O-CD 3.31Å; I174-P176 WeakPolarHBondContact O-CD 3.44Å; I174-V202 HydrophobicContact CD1-CG1 4.01Å; I174-L206 HydrophobicContact CG2-CD2 4.35Å; I174-W209 HydrophobicContact CG2-CH2 4.29Å; I174-W209 HydrophobicContact CG2-CZ3 4Å; I174-F225 HydrophobicContact CB-CZ 4.37Å; I174-F225 HydrophobicContact CG2-CE1 4.02Å; I174-F225 HydrophobicContact CG2-CE2 4.12Å; I174-F225 HydrophobicContact CG2-CZ 3.62Å
175L93.4Very high91.1Very high0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-119.572.7-178.4-56.7172.5000109.7F132 L135 H152 L222 M223 H224F132-L175 HydrophobicContact CB-CB 4.35Å; L135-L175 HydrophobicContact CD1-CD1 4.07Å; H152-L175 WeakPolarHBondContact NE2-CD2 3.49Å; L175-L222 HydrophobicContact CD1-CB 3.67Å; L175-L222 HydrophobicContact CG-CB 4.29Å; L175-M223 WeakPolarHBondContact CB-O 3.19Å; L175-M223 PolarHBondContact N-O 3.45Å; L175-H224 PolarHBondContact O-CD2 2.89Å
176P88.6Confident90.6Very high12 Ų1245.6 Ų45.68%0.07826%0.261CS..EExtended strand (participates in β ladder)trans-66.7145.7172.327.7-32.1000110.6T129 I174 L179T129-P176 HydrophobicContact CG2-CG 4.48Å; I174-P176 VanDerWaalsContact C-CD 3.42Å; I174-P176 VanDerWaalsContact O-CD 3.31Å; I174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-L179 HydrophobicContact CB-CD2 3.83Å; P176-L179 HydrophobicContact CB-CG 3.95Å; P176-L179 HydrophobicContact CG-CD1 4.43Å; P176-L179 HydrophobicContact CG-CD2 4.32Å; P176-L179 HydrophobicContact CG-CG 4.2Å
177E83.9Confident90Very high113 Ų11348.4 Ų48.453%0.52829%0.286SS..SBendtrans-75.7-69.1166.9-93.7-171.9165.800110.3F132F132-E177 HydrophobicContact CB-CG 4.09Å; F132-E177 HydrophobicContact CD1-CG 3.81Å; F132-E177 HydrophobicContact CG-CG 4.26Å
178V86.3Confident89.7Confident40 Ų4048 Ų4824%0.24228%0.277CS..SBendtrans-136.8118.2175.3-177.10000107.7N184 M188 W196 T197V178-N184 HydrophobicContact CG1-CB 4.39Å; V178-M188 HydrophobicContact CG1-CE 3.85Å; V178-M188 HydrophobicContact CG2-CE 4.5Å; V178-W196 HydrophobicContact CB-CD2 4.26Å; V178-W196 HydrophobicContact CB-CG 4.07Å; V178-W196 HydrophobicContact CG1-CD2 3.63Å; V178-W196 HydrophobicContact CG1-CE3 4Å; V178-W196 HydrophobicContact CG1-CG 3.96Å; V178-W196 HydrophobicContact CG1-CH2 4.36Å; V178-W196 HydrophobicContact CG1-CZ2 4.03Å; V178-W196 HydrophobicContact CG1-CZ3 4.34Å; V178-W196 CarbonylContact O-C 3.48Å; V178-W196 WeakPolarHBondContact O-CA 3.14Å; V178-W196 WeakPolarHBondContact O-CB 3.42Å; V178-T197 PolarHBondContact O-N 3.29Å
179L89.2Confident89.4Confident31 Ų3145 Ų4516%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-73.6135.6173.5-69.7169.7000110.1L16 P176 T181 N184 T197 L199 V202L16-L179 HydrophobicContact CB-CD1 4.19Å; L16-L179 HydrophobicContact CD2-CD1 4.06Å; P176-L179 HydrophobicContact CB-CD2 3.83Å; P176-L179 HydrophobicContact CB-CG 3.95Å; P176-L179 HydrophobicContact CG-CD1 4.43Å; P176-L179 HydrophobicContact CG-CD2 4.32Å; P176-L179 HydrophobicContact CG-CG 4.2Å; L179-T181 HydrophobicContact CB-CG2 4.03Å; L179-T181 PolarHBondContact O-N 2.96Å; L179-N184 PolarHBondContact O-ND2 3.3Å; L179-T197 HydrophobicContact CD2-CG2 4.4Å; L179-L199 HydrophobicContact CB-CD2 4.16Å; L179-L199 HydrophobicContact CD2-CD2 4.23Å; L179-V202 HydrophobicContact CD2-CG2 3.94Å
180D89.8Confident88.9Confident36 Ų3654.3 Ų54.319%0.19331%0.31CS..EExtended strand (participates in β ladder)trans-76.690.1178.3-170.212.8000111.3R185 W196 T197D180-R185 VanDerWaalsContact CG-NH2 3.34Å; D180-R185 IonicContact OD1-CZ 2.93Å; D180-R185 IonicContact OD1-NE 2.7Å; D180-R185 PolarHBondContact OD1-NE 3.25Å; D180-R185 IonicContact OD1-NH2 2.74Å; D180-R185 PolarHBondContact OD1-NH2 3.18Å; D180-R185 IonicContact OD2-CZ 3.66Å; D180-R185 IonicContact OD2-NE 2.82Å; D180-R185 IonicContact OD2-NH2 3.78Å; D180-R185 PolarHBondContact OD2-NH2 3.45Å; D180-W196 HydrophobicContact CB-CB 4.02Å; D180-T197 PolarHBondContact N-O 3.1Å
181T88.9Confident88.3Confident5 Ų555.2 Ų55.23%0.03132%0.318CS..  trans-124152.1-177.968.40000110.7A15 L179 A183 N184 R185 L199A15-T181 HydrophobicContact CB-CG2 3.51Å; L179-T181 HydrophobicContact CB-CG2 4.03Å; L179-T181 PolarHBondContact O-N 2.96Å; T181-A183 PolarHBondContact O-N 3.24Å; T181-N184 PolarHBondContact O-N 3.11Å; T181-N184 VanDerWaalsContact O-N 3.12Å; T181-N184 WeakPolarHBondContact OG1-CB 3.49Å; T181-N184 VanDerWaalsContact OG1-CG 3.25Å; T181-N184 PolarHBondContact OG1-N 2.97Å; T181-N184 VanDerWaalsContact OG1-N 3.11Å; T181-N184 PolarHBondContact OG1-ND2 3.45Å; T181-R185 WeakPolarHBondContact O-CG 3.47Å; T181-R185 PolarHBondContact O-N 3.28Å; T181-L199 HydrophobicContact CG2-CD1 4.23Å; T181-L199 HydrophobicContact CG2-CD2 3.95Å; T181-L199 HydrophobicContact CG2-CG 4.47Å
182P87Confident87.5Confident103 Ų10362.9 Ų62.967%0.66935%0.351SS*.Hα-helixtrans-53.2-41.5174.7-26.534.2000112.6R185 S186P182-R185 PolarHBondContact O-N 3.45Å; P182-S186 PolarHBondContact O-N 3.19Å; P182-S186 PolarHBondContact O-OG 2.88Å
183A85.8Confident86.8Confident68 Ų6865.8 Ų65.856%0.56236%0.364SS*.Hα-helixtrans-63-44.7178.100000112.5T181 S186 A187T181-A183 PolarHBondContact O-N 3.24Å; A183-S186 PolarHBondContact O-N 3.35Å; A183-A187 WeakPolarHBondContact O-CB 3.5Å; A183-A187 PolarHBondContact O-N 3.3Å
184N87Confident86Confident53 Ų5370 Ų7028%0.28339%0.394SS..Hα-helixtrans-66.9-39.6177.3-72.7-13.5000111.6V178 L179 T181 S186 A187 M188 W196V178-N184 HydrophobicContact CG1-CB 4.39Å; L179-N184 PolarHBondContact O-ND2 3.3Å; T181-N184 PolarHBondContact O-N 3.11Å; T181-N184 VanDerWaalsContact O-N 3.12Å; T181-N184 WeakPolarHBondContact OG1-CB 3.49Å; T181-N184 VanDerWaalsContact OG1-CG 3.25Å; T181-N184 PolarHBondContact OG1-N 2.97Å; T181-N184 VanDerWaalsContact OG1-N 3.11Å; T181-N184 PolarHBondContact OG1-ND2 3.45Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 3.09Å; N184-A187 PolarHBondContact O-N 3Å; N184-A187 VanDerWaalsContact O-N 3.15Å; N184-M188 PolarHBondContact O-N 3.46Å; N184-W196 HydrophobicContact CB-CE3 4.49Å; N184-W196 HydrophobicContact CB-CH2 4.11Å; N184-W196 HydrophobicContact CB-CZ3 3.74Å; N184-W196 WeakPolarHBondContact O-CH2 3.38Å
185R89Confident85.1Confident101 Ų10172.7 Ų72.738%0.38141%0.408SS..Hα-helixtrans-61.1-41.8176.6-73.6-173.7176.9-126.40.5111.4D180 T181 P182 M188 P189 F193 W196D180-R185 VanDerWaalsContact CG-NH2 3.34Å; D180-R185 IonicContact OD1-CZ 2.93Å; D180-R185 IonicContact OD1-NE 2.7Å; D180-R185 PolarHBondContact OD1-NE 3.25Å; D180-R185 IonicContact OD1-NH2 2.74Å; D180-R185 PolarHBondContact OD1-NH2 3.18Å; D180-R185 IonicContact OD2-CZ 3.66Å; D180-R185 IonicContact OD2-NE 2.82Å; D180-R185 IonicContact OD2-NH2 3.78Å; D180-R185 PolarHBondContact OD2-NH2 3.45Å; T181-R185 WeakPolarHBondContact O-CG 3.47Å; T181-R185 PolarHBondContact O-N 3.28Å; P182-R185 PolarHBondContact O-N 3.45Å; R185-M188 CarbonylContact O-C 3.36Å; R185-P189 WeakPolarHBondContact O-CA 3.46Å; R185-F193 HydrophobicContact CB-CE1 4.39Å; R185-F193 HydrophobicContact CB-CZ 4.48Å; R185-F193 HydrophobicContact CG-CD1 4.18Å; R185-F193 HydrophobicContact CG-CE1 4.08Å; R185-F193 HydrophobicContact CG-CZ 4.38Å; R185-W196 HydrophobicContact CB-CZ3 4.28Å; R185-W196 HydrophobicContact CG-CE3 4.28Å; R185-W196 HydrophobicContact CG-CZ3 3.64Å
186S86.5Confident84.7Confident101 Ų10173.6 Ų73.671%0.70641%0.412SS*.Hα-helixtrans-66.5-36174.4-64.40000112.9P182 A183 N184P182-S186 PolarHBondContact O-N 3.19Å; P182-S186 PolarHBondContact O-OG 2.88Å; A183-S186 PolarHBondContact O-N 3.35Å; N184-S186 VanDerWaalsContact C-N 3.32Å; N184-S186 PolarHBondContact O-N 3.09Å
187A81.1Confident84.6Confident76 Ų7673.1 Ų73.163%0.62841%0.408SS*.Hα-helixtrans-74.2-28.517900000113.6A183 N184A183-A187 WeakPolarHBondContact O-CB 3.5Å; A183-A187 PolarHBondContact O-N 3.3Å; N184-A187 PolarHBondContact O-N 3Å; N184-A187 VanDerWaalsContact O-N 3.15Å
188M83.5Confident84.9Confident80 Ų8070.1 Ų70.139%0.39440%0.398SS..  trans-131.266-178.7-64.2179.9-81.700112V178 N184 R185 K190 A191 F193 W196V178-M188 HydrophobicContact CG1-CE 3.85Å; V178-M188 HydrophobicContact CG2-CE 4.5Å; N184-M188 PolarHBondContact O-N 3.46Å; R185-M188 CarbonylContact O-C 3.36Å; M188-K190 PolarHBondContact O-N 3.49Å; M188-K190 VanDerWaalsContact O-N 3.11Å; M188-A191 HydrophobicContact CB-CB 4.11Å; M188-A191 WeakPolarHBondContact O-CB 3.38Å; M188-A191 PolarHBondContact O-N 3.37Å; M188-A191 VanDerWaalsContact O-N 3.16Å; M188-F193 WeakPolarHBondContact O-CE1 3.47Å; M188-W196 HydrophobicContact CB-CH2 3.94Å; M188-W196 HydrophobicContact CB-CZ2 3.91Å; M188-W196 HydrophobicContact CE-CH2 3.92Å; M188-W196 HydrophobicContact CE-CZ2 3.7Å; M188-W196 HydrophobicContact SD-CZ2 4.25Å
189P83.6Confident85.2Confident96 Ų9669.3 Ų69.362%0.62339%0.393SS*.THydrogen-bonded Turntrans-67-17.9-171.425.7-34.2000114.2R185R185-P189 WeakPolarHBondContact O-CA 3.46Å
190K83.6Confident85.3Confident210 Ų21072.3 Ų72.391%0.91341%0.409SS*.THydrogen-bonded Turntrans-94.3-1.4179.6-63.8-173.3178.9-177.80114M188M188-K190 PolarHBondContact O-N 3.49Å; M188-K190 VanDerWaalsContact O-N 3.11Å
191A80.8Confident85.3Confident34 Ų3472.8 Ų72.828%0.28141%0.409SS..SBendtrans-75151.4-178.100000112M188 F193 W196M188-A191 HydrophobicContact CB-CB 4.11Å; M188-A191 WeakPolarHBondContact O-CB 3.38Å; M188-A191 PolarHBondContact O-N 3.37Å; M188-A191 VanDerWaalsContact O-N 3.16Å; A191-F193 HydrophobicContact CB-CD1 4.46Å; A191-F193 HydrophobicContact CB-CE1 4.31Å; A191-F193 PolarHBondContact O-N 3.1Å; A191-F193 VanDerWaalsContact O-N 3.1Å; A191-W196 HydrophobicContact CB-CH2 4.35Å; A191-W196 HydrophobicContact CB-CZ2 3.41Å; A191-W196 VanDerWaalsContact CB-CZ2 3.41Å
192K81.4Confident85.4Confident162 Ų16272.6 Ų72.670%0.70441%0.408SS*.  trans-74.996.1168-88.5-174.4174.9-179.90109.9S194 N195K192-S194 PolarHBondContact O-N 3.26Å; K192-S194 VanDerWaalsContact O-N 3.12Å; K192-N195 PolarHBondContact O-N 3.31Å; K192-N195 VanDerWaalsContact O-N 3.12Å
193F82.5Confident85.8Confident60 Ų6067.7 Ų67.726%0.26338%0.376SS..G310 helixtrans-60.4-20.9-179.7-50.2-44.2000113.9R185 M188 A191 N195 W196R185-F193 HydrophobicContact CB-CE1 4.39Å; R185-F193 HydrophobicContact CB-CZ 4.48Å; R185-F193 HydrophobicContact CG-CD1 4.18Å; R185-F193 HydrophobicContact CG-CE1 4.08Å; R185-F193 HydrophobicContact CG-CZ 4.38Å; M188-F193 WeakPolarHBondContact O-CE1 3.47Å; A191-F193 HydrophobicContact CB-CD1 4.46Å; A191-F193 HydrophobicContact CB-CE1 4.31Å; A191-F193 PolarHBondContact O-N 3.1Å; A191-F193 VanDerWaalsContact O-N 3.1Å; F193-N195 PolarHBondContact O-N 3.4Å; F193-N195 VanDerWaalsContact O-N 3.09Å; F193-W196 HydrophobicContact CD1-CD2 4.06Å; F193-W196 AromaticContact CD1-CE3 3.86Å; F193-W196 HydrophobicContact CD1-CE3 3.86Å; F193-W196 AromaticContact CD1-CH2 3.77Å; F193-W196 HydrophobicContact CD1-CH2 3.77Å; F193-W196 AromaticContact CD1-CZ2 3.97Å; F193-W196 HydrophobicContact CD1-CZ2 3.97Å; F193-W196 AromaticContact CD1-CZ3 3.72Å; F193-W196 HydrophobicContact CD1-CZ3 3.72Å; F193-W196 AromaticContact CE1-CH2 3.75Å; F193-W196 HydrophobicContact CE1-CH2 3.75Å; F193-W196 HydrophobicContact CE1-CZ2 4.15Å; F193-W196 AromaticContact CE1-CZ3 3.99Å; F193-W196 HydrophobicContact CE1-CZ3 3.99Å; F193-W196 WeakPolarHBondContact O-CB 3.38Å; F193-W196 PolarHBondContact O-N 2.89Å
194S79.4Confident86.1Confident89 Ų8967 Ų6762%0.62237%0.367SS*.G310 helixtrans-58.6-20.4174.558.70000113.7K192K192-S194 PolarHBondContact O-N 3.26Å; K192-S194 VanDerWaalsContact O-N 3.12Å
195N76.8Confident86.4Confident57 Ų5764.9 Ų64.931%0.30536%0.356SS..G310 helixtrans-90.7-10.7179.6-63.3-2.6000112.5K192 F193 T227 Q228K192-N195 PolarHBondContact O-N 3.31Å; K192-N195 VanDerWaalsContact O-N 3.12Å; F193-N195 PolarHBondContact O-N 3.4Å; F193-N195 VanDerWaalsContact O-N 3.09Å; N195-T227 PolarHBondContact O-OG1 3.28Å; N195-Q228 PolarHBondContact ND2-NE2 2.98Å; N195-Q228 PolarHBondContact OD1-NE2 2.93Å
196W84.4Confident86.6Confident19 Ų1960.1 Ų60.17%0.07234%0.338CS..SBendtrans-86142.9-173.1-654.3000111.6V178 D180 N184 R185 M188 A191 F193 P198 T227V178-W196 HydrophobicContact CB-CD2 4.26Å; V178-W196 HydrophobicContact CB-CG 4.07Å; V178-W196 HydrophobicContact CG1-CD2 3.63Å; V178-W196 HydrophobicContact CG1-CE3 4Å; V178-W196 HydrophobicContact CG1-CG 3.96Å; V178-W196 HydrophobicContact CG1-CH2 4.36Å; V178-W196 HydrophobicContact CG1-CZ2 4.03Å; V178-W196 HydrophobicContact CG1-CZ3 4.34Å; V178-W196 CarbonylContact O-C 3.48Å; V178-W196 WeakPolarHBondContact O-CA 3.14Å; V178-W196 WeakPolarHBondContact O-CB 3.42Å; D180-W196 HydrophobicContact CB-CB 4.02Å; N184-W196 HydrophobicContact CB-CE3 4.49Å; N184-W196 HydrophobicContact CB-CH2 4.11Å; N184-W196 HydrophobicContact CB-CZ3 3.74Å; N184-W196 WeakPolarHBondContact O-CH2 3.38Å; R185-W196 HydrophobicContact CB-CZ3 4.28Å; R185-W196 HydrophobicContact CG-CE3 4.28Å; R185-W196 HydrophobicContact CG-CZ3 3.64Å; M188-W196 HydrophobicContact CB-CH2 3.94Å; M188-W196 HydrophobicContact CB-CZ2 3.91Å; M188-W196 HydrophobicContact CE-CH2 3.92Å; M188-W196 HydrophobicContact CE-CZ2 3.7Å; M188-W196 HydrophobicContact SD-CZ2 4.25Å; A191-W196 HydrophobicContact CB-CH2 4.35Å; A191-W196 HydrophobicContact CB-CZ2 3.41Å; A191-W196 VanDerWaalsContact CB-CZ2 3.41Å; F193-W196 HydrophobicContact CD1-CD2 4.06Å; F193-W196 AromaticContact CD1-CE3 3.86Å; F193-W196 HydrophobicContact CD1-CE3 3.86Å; F193-W196 AromaticContact CD1-CH2 3.77Å; F193-W196 HydrophobicContact CD1-CH2 3.77Å; F193-W196 AromaticContact CD1-CZ2 3.97Å; F193-W196 HydrophobicContact CD1-CZ2 3.97Å; F193-W196 AromaticContact CD1-CZ3 3.72Å; F193-W196 HydrophobicContact CD1-CZ3 3.72Å; F193-W196 AromaticContact CE1-CH2 3.75Å; F193-W196 HydrophobicContact CE1-CH2 3.75Å; F193-W196 HydrophobicContact CE1-CZ2 4.15Å; F193-W196 AromaticContact CE1-CZ3 3.99Å; F193-W196 HydrophobicContact CE1-CZ3 3.99Å; F193-W196 WeakPolarHBondContact O-CB 3.38Å; F193-W196 PolarHBondContact O-N 2.89Å; W196-P198 VanDerWaalsContact O-CD 3.23Å; W196-P198 WeakPolarHBondContact O-CD 3.39Å; W196-T227 WeakPolarHBondContact O-CG2 3.46Å
197T85.8Confident87Confident1 Ų159.3 Ų59.31%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-71.9115.2-176-48.30000110.9V178 L179 D180 F201 V202 F225V178-T197 PolarHBondContact O-N 3.29Å; L179-T197 HydrophobicContact CD2-CG2 4.4Å; D180-T197 PolarHBondContact N-O 3.1Å; T197-F201 HydrophobicContact CG2-CD1 3.76Å; T197-F201 HydrophobicContact CG2-CE1 4.27Å; T197-V202 HydrophobicContact CG2-CG2 3.88Å; T197-F225 HydrophobicContact CG2-CB 4.06Å; T197-F225 HydrophobicContact CG2-CD2 4.22Å
198P89.8Confident87.5Confident50 Ų5060.3 Ų60.333%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-65.6142.3179-20.532.8000111.6W196 D200 F201 V202 T227W196-P198 VanDerWaalsContact O-CD 3.23Å; W196-P198 WeakPolarHBondContact O-CD 3.39Å; P198-D200 VanDerWaalsContact C-N 3.27Å; P198-D200 PolarHBondContact O-N 3.32Å; P198-F201 HydrophobicContact CB-CB 4.14Å; P198-F201 HydrophobicContact CG-CB 4.37Å; P198-F201 WeakPolarHBondContact O-CB 3.3Å; P198-F201 PolarHBondContact O-N 3.12Å; P198-V202 PolarHBondContact O-N 3.42Å; P198-T227 VanDerWaalsContact CD-CG2 3.42Å; P198-T227 HydrophobicContact CG-CG2 4.26Å
199L92.5Very high88Confident23 Ų2356.5 Ų56.512%0.1229%0.292CS..Hα-helixtrans-62.6-36.3177.8-58179.7000112.3L16 H19 L179 T181 F201 V202 A203L16-L199 HydrophobicContact CB-CD2 4.29Å; L16-L199 HydrophobicContact CD1-CD2 3.94Å; H19-L199 HydrophobicContact CB-CB 4.22Å; H19-L199 HydrophobicContact CB-CD1 4.09Å; L179-L199 HydrophobicContact CB-CD2 4.16Å; L179-L199 HydrophobicContact CD2-CD2 4.23Å; T181-L199 HydrophobicContact CG2-CD1 4.23Å; T181-L199 HydrophobicContact CG2-CD2 3.95Å; T181-L199 HydrophobicContact CG2-CG 4.47Å; L199-F201 VanDerWaalsContact C-N 3.31Å; L199-F201 PolarHBondContact O-N 2.88Å; L199-V202 PolarHBondContact O-N 2.83Å; L199-A203 PolarHBondContact O-N 3.37Å
200D91.4Very high88.5Confident94 Ų9452.7 Ų52.750%0.50327%0.266SS..Hα-helixtrans-67.2-32.3178.4-121.421000112.6H19 P198 A203 S204H19-D200 IonicContact CD2-OD1 2.72Å; H19-D200 IonicContact CE1-OD1 3.97Å; H19-D200 PolarHBondContact CE1-OD1 2.74Å; H19-D200 IonicContact NE2-OD1 3.86Å; H19-D200 PolarHBondContact NE2-OD1 2.91Å; P198-D200 VanDerWaalsContact C-N 3.27Å; P198-D200 PolarHBondContact O-N 3.32Å; D200-A203 PolarHBondContact O-N 3.41Å; D200-S204 VanDerWaalsContact O-CB 3.31Å; D200-S204 WeakPolarHBondContact O-CB 3.4Å; D200-S204 PolarHBondContact O-N 3.37Å; D200-S204 PolarHBondContact O-OG 2.89Å
201F89.9Confident88.7Confident47 Ų4745.3 Ų45.321%0.20625%0.249CC..Hα-helixtrans-64.9-43.5172.9168.1-100.5000111T197 P198 L199 S204 T205 F225 P233 Y234T197-F201 HydrophobicContact CG2-CD1 3.76Å; T197-F201 HydrophobicContact CG2-CE1 4.27Å; P198-F201 HydrophobicContact CB-CB 4.14Å; P198-F201 HydrophobicContact CG-CB 4.37Å; P198-F201 WeakPolarHBondContact O-CB 3.3Å; P198-F201 PolarHBondContact O-N 3.12Å; L199-F201 VanDerWaalsContact C-N 3.31Å; L199-F201 PolarHBondContact O-N 2.88Å; F201-S204 WeakPolarHBondContact CA-OG 3.44Å; F201-S204 PolarHBondContact O-OG 3.41Å; F201-S204 VanDerWaalsContact O-OG 3.08Å; F201-T205 VanDerWaalsContact O-CB 3.28Å; F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 3.41Å; F201-T205 PolarHBondContact O-OG1 3.47Å; F201-F225 HydrophobicContact CD1-CD2 4.04Å; F201-F225 HydrophobicContact CE1-CB 4Å; F201-F225 AromaticContact CE1-CD2 3.46Å; F201-F225 HydrophobicContact CE1-CD2 3.46Å; F201-F225 VanDerWaalsContact CE1-CD2 3.46Å; F201-F225 AromaticContact CE1-CE2 3.98Å; F201-F225 HydrophobicContact CE1-CE2 3.98Å; F201-F225 AromaticContact CE1-CG 3.78Å; F201-F225 HydrophobicContact CE1-CG 3.78Å; F201-F225 HydrophobicContact CZ-CD2 4.46Å; F201-P233 HydrophobicContact CE2-CB 3.6Å; F201-P233 HydrophobicContact CE2-CG 4.07Å; F201-P233 HydrophobicContact CZ-CB 3.61Å; F201-P233 HydrophobicContact CZ-CG 4.26Å; F201-Y234 HydrophobicContact CZ-CD1 4.15Å
202V92.6Very high89.1Confident0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-62.5-49.3175.3-177.30000110.2L16 I174 L179 T197 P198 L199 S204 T205 L206 F225L16-V202 HydrophobicContact CD1-CB 3.99Å; L16-V202 HydrophobicContact CD1-CG1 3.87Å; L16-V202 HydrophobicContact CD1-CG2 4.48Å; L16-V202 HydrophobicContact CD2-CG1 4.13Å; I174-V202 HydrophobicContact CD1-CG1 4.01Å; L179-V202 HydrophobicContact CD2-CG2 3.94Å; T197-V202 HydrophobicContact CG2-CG2 3.88Å; P198-V202 PolarHBondContact O-N 3.42Å; L199-V202 PolarHBondContact O-N 2.83Å; V202-S204 PolarHBondContact O-N 3.16Å; V202-T205 PolarHBondContact O-N 2.87Å; V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.28Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 2.97Å; V202-F225 HydrophobicContact CB-CE2 4.39Å; V202-F225 HydrophobicContact CG1-CE2 4.19Å; V202-F225 HydrophobicContact CG2-CD2 4.02Å; V202-F225 HydrophobicContact CG2-CE2 4.12Å
203A94.6Very high89.2Confident0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-60.9-46.2-177.800000112.8L20 F23 L199 D200 L206 Y207L20-A203 HydrophobicContact CD2-CB 3.77Å; F23-A203 HydrophobicContact CB-CB 4.09Å; F23-A203 HydrophobicContact CD1-CB 4.01Å; F23-A203 HydrophobicContact CD2-CB 3.73Å; F23-A203 HydrophobicContact CE1-CB 4.39Å; F23-A203 HydrophobicContact CE2-CB 4.11Å; F23-A203 HydrophobicContact CG-CB 3.67Å; F23-A203 HydrophobicContact CZ-CB 4.43Å; L199-A203 PolarHBondContact O-N 3.37Å; D200-A203 PolarHBondContact O-N 3.41Å; A203-L206 PolarHBondContact O-N 2.88Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.12Å; A203-Y207 PolarHBondContact O-N 2.64Å
204S92.3Very high89.3Confident53 Ų5344.1 Ų44.137%0.37127%0.265SS..Hα-helixtrans-65.7-39177.354.40000112.9D200 F201 V202 Y207 K208D200-S204 VanDerWaalsContact O-CB 3.31Å; D200-S204 WeakPolarHBondContact O-CB 3.4Å; D200-S204 PolarHBondContact O-N 3.37Å; D200-S204 PolarHBondContact O-OG 2.89Å; F201-S204 WeakPolarHBondContact CA-OG 3.44Å; F201-S204 PolarHBondContact O-OG 3.41Å; F201-S204 VanDerWaalsContact O-OG 3.08Å; V202-S204 PolarHBondContact O-N 3.16Å; S204-Y207 PolarHBondContact O-N 3.49Å; S204-K208 WeakPolarHBondContact O-CB 3.33Å; S204-K208 PolarHBondContact O-N 3.03Å
205T92.2Very high89.6Confident10 Ų1043.5 Ų43.56%0.06125%0.253CS..Hα-helixtrans-63.5-47.9175.9-59.50000111.2F201 V202 Y207 K208 W209 F225 Y234F201-T205 VanDerWaalsContact O-CB 3.28Å; F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 3.41Å; F201-T205 PolarHBondContact O-OG1 3.47Å; V202-T205 PolarHBondContact O-N 2.87Å; T205-Y207 PolarHBondContact O-N 2.93Å; T205-K208 WeakPolarHBondContact O-CB 3.28Å; T205-K208 PolarHBondContact O-N 2.89Å; T205-W209 HydrophobicContact CG2-CD2 4.1Å; T205-W209 HydrophobicContact CG2-CH2 4.24Å; T205-W209 HydrophobicContact CG2-CZ2 3.6Å; T205-W209 PolarHBondContact O-N 3.36Å; T205-F225 HydrophobicContact CG2-CE1 4.47Å; T205-F225 HydrophobicContact CG2-CE2 4.41Å; T205-F225 HydrophobicContact CG2-CZ 3.8Å; T205-Y234 HydrophobicContact CG2-CD1 4.07Å; T205-Y234 HydrophobicContact CG2-CE1 3.84Å
206L94.5Very high90.2Very high0 Ų042.2 Ų42.20%024%0.243CC..Hα-helixtrans-64.2-42.1177.9-65.2-176.3000111.5L20 L78 V127 I174 V202 A203 K208 W209 I210L20-L206 HydrophobicContact CD1-CD1 4.46Å; L20-L206 HydrophobicContact CD2-CD1 4.19Å; L78-L206 HydrophobicContact CD1-CD1 3.91Å; L78-L206 HydrophobicContact CD2-CD1 4.33Å; V127-L206 HydrophobicContact CG1-CD2 4.1Å; V127-L206 HydrophobicContact CG2-CD2 3.98Å; I174-L206 HydrophobicContact CG2-CD2 4.35Å; V202-L206 HydrophobicContact CG1-CD1 3.95Å; V202-L206 HydrophobicContact CG1-CG 4.28Å; V202-L206 VanDerWaalsContact O-CG 3.3Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 2.97Å; A203-L206 PolarHBondContact O-N 2.88Å; L206-K208 VanDerWaalsContact C-N 3.26Å; L206-K208 PolarHBondContact O-N 2.79Å; L206-W209 HydrophobicContact CD2-CE3 3.62Å; L206-W209 HydrophobicContact CD2-CZ3 3.82Å; L206-W209 PolarHBondContact O-N 2.9Å; L206-I210 WeakPolarHBondContact O-CD1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3.03Å
207Y94.5Very high90.4Very high84 Ų8442 Ų4233%0.32924%0.244SC..Hα-helixtrans-56.3-41.8173.5-179.3-95.2000112F23 F24 K27 W29 A203 S204 T205 G211F23-Y207 HydrophobicContact CE1-CD2 4.06Å; F23-Y207 AromaticContact CE1-CG 3.96Å; F23-Y207 HydrophobicContact CE1-CG 3.96Å; F24-Y207 HydrophobicContact CD1-CD2 4.29Å; F24-Y207 AromaticContact CE1-CD2 3.73Å; F24-Y207 HydrophobicContact CE1-CD2 3.73Å; F24-Y207 HydrophobicContact CZ-CD2 4.33Å; K27-Y207 HydrophobicContact CB-CE2 4.26Å; K27-Y207 HydrophobicContact CD-CE2 4.29Å; K27-Y207 HydrophobicContact CG-CD2 4.45Å; K27-Y207 HydrophobicContact CG-CE2 3.97Å; W29-Y207 HydrophobicContact CZ2-CE2 4.17Å; W29-Y207 AromaticContact NE1-CE2 3.9Å; A203-Y207 VanDerWaalsContact O-CB 3.29Å; A203-Y207 WeakPolarHBondContact O-CB 3.12Å; A203-Y207 PolarHBondContact O-N 2.64Å; S204-Y207 PolarHBondContact O-N 3.49Å; T205-Y207 PolarHBondContact O-N 2.93Å; Y207-G211 PolarHBondContact O-N 3Å
208K92Very high90.6Very high98 Ų9849.7 Ų49.743%0.42628%0.28SS..Hα-helixtrans-65.1-46.1176.8-155.3-178-166.7-155.10112.1S204 T205 L206 I210 G211 S212 E215S204-K208 WeakPolarHBondContact O-CB 3.33Å; S204-K208 PolarHBondContact O-N 3.03Å; T205-K208 WeakPolarHBondContact O-CB 3.28Å; T205-K208 PolarHBondContact O-N 2.89Å; L206-K208 VanDerWaalsContact C-N 3.26Å; L206-K208 PolarHBondContact O-N 2.79Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 3.08Å; K208-G211 PolarHBondContact O-N 2.99Å; K208-S212 WeakPolarHBondContact O-CB 3.37Å; K208-S212 PolarHBondContact O-N 2.78Å; K208-E215 WeakPolarHBondContact CD-OE2 3.42Å; K208-E215 VanDerWaalsContact CE-CD 3.42Å; K208-E215 VanDerWaalsContact CE-OE1 3.26Å; K208-E215 WeakPolarHBondContact CE-OE1 3.5Å; K208-E215 WeakPolarHBondContact CE-OE2 3.4Å; K208-E215 VanDerWaalsContact NZ-CD 3.28Å; K208-E215 IonicContact NZ-OE1 3.35Å; K208-E215 PolarHBondContact NZ-OE1 3.38Å; K208-E215 VanDerWaalsContact NZ-OE1 3.15Å; K208-E215 IonicContact NZ-OE2 2.79Å; K208-E215 PolarHBondContact NZ-OE2 2.93Å
209W93.7Very high90.8Very high0 Ų049.3 Ų49.30%028%0.279CS..Hα-helixtrans-63.1-36.5178.3-67.5-9.8000113.1L125 V172 I174 T205 L206 R216 P217 M223 F225 Y234L125-W209 HydrophobicContact CD2-CB 3.8Å; V172-W209 HydrophobicContact CG1-CH2 4.35Å; V172-W209 HydrophobicContact CG1-CZ3 3.96Å; I174-W209 HydrophobicContact CG2-CH2 4.29Å; I174-W209 HydrophobicContact CG2-CZ3 4Å; T205-W209 HydrophobicContact CG2-CD2 4.1Å; T205-W209 HydrophobicContact CG2-CH2 4.24Å; T205-W209 HydrophobicContact CG2-CZ2 3.6Å; T205-W209 PolarHBondContact O-N 3.36Å; L206-W209 HydrophobicContact CD2-CE3 3.62Å; L206-W209 HydrophobicContact CD2-CZ3 3.82Å; L206-W209 PolarHBondContact O-N 2.9Å; W209-R216 HydrophobicContact CB-CG 4.24Å; W209-R216 VanDerWaalsContact O-CG 3.22Å; W209-R216 WeakPolarHBondContact O-CG 3.46Å; W209-R216 PolarHBondContact O-NE 2.94Å; W209-R216 VanDerWaalsContact O-NE 3.13Å; W209-P217 HydrophobicContact CD2-CG 4.43Å; W209-P217 HydrophobicContact CH2-CG 3.8Å; W209-P217 HydrophobicContact CZ2-CG 3.62Å; W209-P217 HydrophobicContact CZ3-CG 4.28Å; W209-M223 HydrophobicContact CH2-CB 4.06Å; W209-M223 HydrophobicContact CH2-CE 4.2Å; W209-M223 HydrophobicContact CH2-CG 3.83Å; W209-M223 HydrophobicContact CZ2-CE 3.97Å; W209-F225 AromaticContact CH2-CE1 3.64Å; W209-F225 HydrophobicContact CH2-CE1 3.64Å; W209-F225 AromaticContact CH2-CZ 3.72Å; W209-F225 HydrophobicContact CH2-CZ 3.72Å; W209-F225 HydrophobicContact CZ2-CE1 4.09Å; W209-F225 HydrophobicContact CZ2-CZ 4.21Å; W209-F225 HydrophobicContact CZ3-CZ 4.32Å; W209-Y234 HydrophobicContact CZ2-CD2 4.47Å; W209-Y234 HydrophobicContact CZ2-CE2 4.49Å; W209-Y234 HydrophobicContact CZ2-CG 4.47Å
210I93.9Very high90.8Very high16 Ų1648.9 Ų48.98%0.08228%0.279CS..Hα-helixtrans-69.5-46.4176.9-59.2162.8000109.9F24 W29 D75 A76 L125 L206 K208F24-I210 HydrophobicContact CE1-CD1 3.97Å; F24-I210 HydrophobicContact CZ-CD1 3.67Å; W29-I210 HydrophobicContact CH2-CB 4.34Å; W29-I210 HydrophobicContact CH2-CG2 3.5Å; W29-I210 VanDerWaalsContact CH2-CG2 3.5Å; W29-I210 HydrophobicContact CZ3-CG2 3.85Å; D75-I210 HydrophobicContact CB-CG2 3.98Å; A76-I210 HydrophobicContact CB-CD1 3.48Å; A76-I210 VanDerWaalsContact CB-CD1 3.48Å; A76-I210 HydrophobicContact CB-CG1 3.7Å; A76-I210 HydrophobicContact CB-CG2 4.21Å; L125-I210 HydrophobicContact CB-CG1 4.37Å; L125-I210 HydrophobicContact CD2-CG1 3.7Å; L206-I210 WeakPolarHBondContact O-CD1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.49Å; L206-I210 PolarHBondContact O-N 3.03Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 3.08Å
211G88.3Confident91Very high54 Ų5445 Ų4556%0.55726%0.26SS*.Hα-helixtrans-78.2-14.7-176.900000115.7Y207 K208Y207-G211 PolarHBondContact O-N 3Å; K208-G211 PolarHBondContact O-N 2.99Å
212S88.4Confident91.2Very high44 Ų4443.1 Ų43.131%0.30825%0.251SS..  trans-138.791.7-176.4-66.80000111.5K208 S214 E215K208-S212 WeakPolarHBondContact O-CB 3.37Å; K208-S212 PolarHBondContact O-N 2.78Å; S212-S214 PolarHBondContact O-N 3.35Å; S212-S214 VanDerWaalsContact O-N 3.16Å; S212-E215 PolarHBondContact O-N 2.75Å
213P84.8Confident91.2Very high69 Ų6943.3 Ų43.345%0.44825%0.252SS..G310 helixtrans-53.5-35.8-177.6-19.121.8000116E215 R216P213-E215 PolarHBondContact O-N 2.91Å; P213-R216 VanDerWaalsContact CA-NE 3.29Å; P213-R216 VanDerWaalsContact CG-NH2 3.29Å; P213-R216 WeakPolarHBondContact O-CB 3.49Å; P213-R216 WeakPolarHBondContact O-CD 3.31Å; P213-R216 VanDerWaalsContact O-CG 3.25Å; P213-R216 WeakPolarHBondContact O-CG 3.37Å; P213-R216 PolarHBondContact O-N 3.2Å
214S83.1Confident90.9Very high118 Ų11843.7 Ų43.783%0.82525%0.254SS*.G310 helixtrans-68.2-18.3178.755.20000114.4S212S212-S214 PolarHBondContact O-N 3.35Å; S212-S214 VanDerWaalsContact O-N 3.16Å
215E85.9Confident90.6Very high77 Ų7741.3 Ų41.336%0.3624%0.237SC..G310 helixtrans-96.4-1.8179.1-68-154.1-154.400113.2K208 S212 P213K208-E215 WeakPolarHBondContact CD-OE2 3.42Å; K208-E215 VanDerWaalsContact CE-CD 3.42Å; K208-E215 VanDerWaalsContact CE-OE1 3.26Å; K208-E215 WeakPolarHBondContact CE-OE1 3.5Å; K208-E215 WeakPolarHBondContact CE-OE2 3.4Å; K208-E215 VanDerWaalsContact NZ-CD 3.28Å; K208-E215 IonicContact NZ-OE1 3.35Å; K208-E215 PolarHBondContact NZ-OE1 3.38Å; K208-E215 VanDerWaalsContact NZ-OE1 3.15Å; K208-E215 IonicContact NZ-OE2 2.79Å; K208-E215 PolarHBondContact NZ-OE2 2.93Å; S212-E215 PolarHBondContact O-N 2.75Å; P213-E215 PolarHBondContact O-N 2.91Å
216R89.4Confident89.4Confident30 Ų3044.5 Ų44.511%0.11325%0.25CS..SBendtrans-73.1146.8178.2-56.6172.9-173.3165.915.7110.6D123 S170 W209 P213D123-R216 PolarHBondContact O-NH1 3.34Å; D123-R216 PolarHBondContact O-NH2 3.48Å; S170-R216 PolarHBondContact OG-NH1 2.95Å; W209-R216 HydrophobicContact CB-CG 4.24Å; W209-R216 VanDerWaalsContact O-CG 3.22Å; W209-R216 WeakPolarHBondContact O-CG 3.46Å; W209-R216 PolarHBondContact O-NE 2.94Å; W209-R216 VanDerWaalsContact O-NE 3.13Å; P213-R216 VanDerWaalsContact CA-NE 3.29Å; P213-R216 VanDerWaalsContact CG-NH2 3.29Å; P213-R216 WeakPolarHBondContact O-CB 3.49Å; P213-R216 WeakPolarHBondContact O-CD 3.31Å; P213-R216 VanDerWaalsContact O-CG 3.25Å; P213-R216 WeakPolarHBondContact O-CG 3.37Å; P213-R216 PolarHBondContact O-N 3.2Å
217P88.7Confident88.1Confident14 Ų1446.7 Ų46.79%0.09126%0.264CS..PPolyproline II helixtrans-59151.6160.2-21.234.8000111.2V172 W209 M223V172-P217 HydrophobicContact CG1-CB 4.1Å; V172-P217 HydrophobicContact CG1-CG 4.02Å; V172-P217 HydrophobicContact CG2-CB 4.41Å; W209-P217 HydrophobicContact CD2-CG 4.43Å; W209-P217 HydrophobicContact CH2-CG 3.8Å; W209-P217 HydrophobicContact CZ2-CG 3.62Å; W209-P217 HydrophobicContact CZ3-CG 4.28Å; P217-M223 HydrophobicContact CB-CE 4.17Å; P217-M223 HydrophobicContact CB-CG 4.02Å; P217-M223 HydrophobicContact CB-SD 3.52Å; P217-M223 VanDerWaalsContact CB-SD 3.52Å; P217-M223 HydrophobicContact CG-CE 3.48Å; P217-M223 VanDerWaalsContact CG-CE 3.48Å; P217-M223 HydrophobicContact CG-CG 3.66Å; P217-M223 HydrophobicContact CG-SD 3.42Å; P217-M223 WeakPolarHBondContact CG-SD 3.21Å
218H89.3Confident86.5Confident163 Ų16349.7 Ų49.776%0.75528%0.281SS*.PPolyproline II helixtrans-57.1144.6172.6-69.5-52.9000111.1G220 S221H218-G220 PolarHBondContact O-N 2.77Å; H218-S221 WeakPolarHBondContact O-CB 3.43Å; H218-S221 PolarHBondContact O-N 3.4Å; H218-S221 PolarHBondContact O-OG 3.22Å
219S93.9Very high84.8Confident42 Ų4249 Ų4929%0.29428%0.282SS..THydrogen-bonded Turntrans-52.9136.3175.6-150.90000110.5G159 S170 A171G159-S219 WeakPolarHBondContact CA-OG 3.29Å; S170-S219 WeakPolarHBondContact CA-OG 3.5Å; A171-S219 PolarHBondContact N-OG 3.33Å; A171-S219 CarbonylContact O-C 3.53Å
220G94.1Very high82.8Confident13 Ų1353.8 Ų53.813%0.13432%0.321CS..THydrogen-bonded Turntrans88.8-5.8-173.400000115.3A171 H218A171-G220 PolarHBondContact O-N 2.75Å; H218-G220 PolarHBondContact O-N 2.77Å
221S94.7Very high80.9Confident13 Ų1360.7 Ų60.79%0.09136%0.357CS..  trans-67140.3-176.8-66.70000113.2C173 H218C173-S221 PolarHBondContact N-O 2.84Å; H218-S221 WeakPolarHBondContact O-CB 3.43Å; H218-S221 PolarHBondContact O-N 3.4Å; H218-S221 PolarHBondContact O-OG 3.22Å
222L93.9Very high79.4Confident7 Ų765.5 Ų65.54%0.03736%0.363CS..EExtended strand (participates in β ladder)trans-102.2116.7167.3-51.2-179.8000108.8L135 H152 T155 C173 L175 C237L135-L222 HydrophobicContact CD2-CD1 4.09Å; H152-L222 HydrophobicContact CB-CD1 3.95Å; H152-L222 HydrophobicContact CB-CD2 4Å; T155-L222 HydrophobicContact CG2-CD2 4.41Å; C173-L222 HydrophobicContact CB-CD2 3.47Å; C173-L222 VanDerWaalsContact CB-CD2 3.47Å; L175-L222 HydrophobicContact CD1-CB 3.67Å; L175-L222 HydrophobicContact CG-CB 4.29Å; L222-C237 HydrophobicContact CB-CB 4.41Å; L222-C237 PolarHBondContact O-N 3.5Å; L222-C237 VanDerWaalsContact O-N 3.08Å
223M92Very high78.2Confident4 Ų465.1 Ų65.12%0.0236%0.36CS..EExtended strand (participates in β ladder)trans-108.5105.9-168.2-64.7-61.2-66.600111.5V172 C173 L175 W209 P217 F225 Y234 V236V172-M223 HydrophobicContact CG1-CB 4.49Å; V172-M223 HydrophobicContact CG1-CG 3.52Å; C173-M223 PolarHBondContact O-N 2.88Å; L175-M223 WeakPolarHBondContact CB-O 3.19Å; L175-M223 PolarHBondContact N-O 3.45Å; W209-M223 HydrophobicContact CH2-CB 4.06Å; W209-M223 HydrophobicContact CH2-CE 4.2Å; W209-M223 HydrophobicContact CH2-CG 3.83Å; W209-M223 HydrophobicContact CZ2-CE 3.97Å; P217-M223 HydrophobicContact CB-CE 4.17Å; P217-M223 HydrophobicContact CB-CG 4.02Å; P217-M223 HydrophobicContact CB-SD 3.52Å; P217-M223 VanDerWaalsContact CB-SD 3.52Å; P217-M223 HydrophobicContact CG-CE 3.48Å; P217-M223 VanDerWaalsContact CG-CE 3.48Å; P217-M223 HydrophobicContact CG-CG 3.66Å; P217-M223 HydrophobicContact CG-SD 3.42Å; P217-M223 WeakPolarHBondContact CG-SD 3.21Å; M223-F225 HydrophobicContact CB-CD1 4.39Å; M223-F225 HydrophobicContact CB-CE1 4.03Å; M223-Y234 HydrophobicContact CE-CD2 3.32Å; M223-Y234 HydrophobicContact CE-CE2 4.13Å; M223-Y234 HydrophobicContact CE-CG 3.88Å; M223-V236 HydrophobicContact CE-CG2 4.39Å; M223-V236 HydrophobicContact SD-CB 4.42Å; M223-V236 HydrophobicContact SD-CG2 3.62Å
224H89.4Confident77.4Confident9 Ų965.1 Ų65.14%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-78.2122.6172.7-179-160.8000110.4F132 L175 Y234 E235F132-H224 AromaticContact CD1-CE1 3.92Å; F132-H224 AromaticContact CD1-NE2 3.93Å; F132-H224 HydrophobicContact CD2-CB 4.01Å; F132-H224 AromaticContact CD2-CD2 3.66Å; F132-H224 AromaticContact CD2-CE1 3.62Å; F132-H224 AromaticContact CD2-CG 3.46Å; F132-H224 VanDerWaalsContact CD2-CG 3.46Å; F132-H224 AromaticContact CD2-ND1 3.43Å; F132-H224 WeakPolarHBondContact CD2-ND1 3.48Å; F132-H224 AromaticContact CD2-NE2 3.78Å; F132-H224 AromaticContact CE1-CE1 3.86Å; F132-H224 HydrophobicContact CE2-CB 4.39Å; F132-H224 AromaticContact CE2-CE1 3.56Å; F132-H224 AromaticContact CE2-CG 3.8Å; F132-H224 AromaticContact CE2-ND1 3.29Å; F132-H224 VanDerWaalsContact CE2-ND1 3.29Å; F132-H224 WeakPolarHBondContact CE2-ND1 3.44Å; F132-H224 AromaticContact CG-CD2 3.8Å; F132-H224 AromaticContact CG-CE1 3.81Å; F132-H224 AromaticContact CG-NE2 3.65Å; F132-H224 AromaticContact CZ-CE1 3.69Å; F132-H224 AromaticContact CZ-ND1 3.83Å; L175-H224 PolarHBondContact O-CD2 2.89Å; H224-Y234 CarbonylContact O-C 3.54Å; H224-Y234 WeakPolarHBondContact O-CA 3.28Å; H224-Y234 WeakPolarHBondContact O-CB 3.37Å; H224-E235 PolarHBondContact N-O 2.93Å; H224-E235 PolarHBondContact O-N 3.36Å
225F84.9Confident76.8Confident2 Ų263.2 Ų63.21%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-92.6106.7177.1-77.913.1000109.9I174 T197 F201 V202 T205 W209 M223 Y234I174-F225 HydrophobicContact CB-CZ 4.37Å; I174-F225 HydrophobicContact CG2-CE1 4.02Å; I174-F225 HydrophobicContact CG2-CE2 4.12Å; I174-F225 HydrophobicContact CG2-CZ 3.62Å; T197-F225 HydrophobicContact CG2-CB 4.06Å; T197-F225 HydrophobicContact CG2-CD2 4.22Å; F201-F225 HydrophobicContact CD1-CD2 4.04Å; F201-F225 HydrophobicContact CE1-CB 4Å; F201-F225 AromaticContact CE1-CD2 3.46Å; F201-F225 HydrophobicContact CE1-CD2 3.46Å; F201-F225 VanDerWaalsContact CE1-CD2 3.46Å; F201-F225 AromaticContact CE1-CE2 3.98Å; F201-F225 HydrophobicContact CE1-CE2 3.98Å; F201-F225 AromaticContact CE1-CG 3.78Å; F201-F225 HydrophobicContact CE1-CG 3.78Å; F201-F225 HydrophobicContact CZ-CD2 4.46Å; V202-F225 HydrophobicContact CB-CE2 4.39Å; V202-F225 HydrophobicContact CG1-CE2 4.19Å; V202-F225 HydrophobicContact CG2-CD2 4.02Å; V202-F225 HydrophobicContact CG2-CE2 4.12Å; T205-F225 HydrophobicContact CG2-CE1 4.47Å; T205-F225 HydrophobicContact CG2-CE2 4.41Å; T205-F225 HydrophobicContact CG2-CZ 3.8Å; W209-F225 AromaticContact CH2-CE1 3.64Å; W209-F225 HydrophobicContact CH2-CE1 3.64Å; W209-F225 AromaticContact CH2-CZ 3.72Å; W209-F225 HydrophobicContact CH2-CZ 3.72Å; W209-F225 HydrophobicContact CZ2-CE1 4.09Å; W209-F225 HydrophobicContact CZ2-CZ 4.21Å; W209-F225 HydrophobicContact CZ3-CZ 4.32Å; M223-F225 HydrophobicContact CB-CD1 4.39Å; M223-F225 HydrophobicContact CB-CE1 4.03Å; F225-Y234 HydrophobicContact CE1-CD1 4.43Å; F225-Y234 HydrophobicContact CE1-CG 4.37Å
226K68.8Low76.1Confident77 Ų7762.8 Ų62.834%0.33533%0.332SS..  trans-99.5116.7-177.8-82.2178.3174.9166.50110.6P233 E235K226-P233 PolarHBondContact N-O 2.86Å; K226-E235 IonicContact NZ-OE2 2.87Å; K226-E235 PolarHBondContact NZ-OE2 3.16Å
227T66.4Low74.6Confident46 Ų4663.7 Ų63.728%0.28234%0.342SS..SBendtrans-82.5-20.3-177.6-13.10000114.6N195 W196 P198N195-T227 PolarHBondContact O-OG1 3.28Å; W196-T227 WeakPolarHBondContact O-CG2 3.46Å; P198-T227 VanDerWaalsContact CD-CG2 3.42Å; P198-T227 HydrophobicContact CG-CG2 4.26Å
228Q61.3Low73.6Confident148 Ų14866.7 Ų66.769%0.69236%0.363SS*.SBendtrans-81.4-15-176.2-73.8-170.1-17.700114.1N195N195-Q228 PolarHBondContact ND2-NE2 2.98Å; N195-Q228 PolarHBondContact OD1-NE2 2.93Å
229D55.8Low72.4Confident83 Ų8365.5 Ų65.544%0.44436%0.361SS..  trans-120.581.6-168.5-146.6-15.3000110.7L231 K232D229-L231 PolarHBondContact O-N 3.15Å; D229-K232 CarbonylContact O-C 3.59Å; D229-K232 PolarHBondContact O-N 3.01Å
230A52.1Low71.1Confident100 Ų10070.3 Ų70.383%0.82638%0.379SS*.THydrogen-bonded Turntrans-57.1-22-174.200000113.7
231L53.3Low70.1Confident161 Ų16177.6 Ų77.684%0.84340%0.402SS*.THydrogen-bonded Turntrans-81.9-25.8178.4-73.5163.1000113.4D229D229-L231 PolarHBondContact O-N 3.15Å
232K57Low69.5Low156 Ų15679.7 Ų79.768%0.67842%0.417SS*.  trans-14076.7176.4-82.1-171.8176.4-179.40109.9D229 Y234D229-K232 CarbonylContact O-C 3.59Å; D229-K232 PolarHBondContact O-N 3.01Å; K232-Y234 PolarHBondContact O-N 3.32Å; K232-Y234 VanDerWaalsContact O-N 3.14Å
233P62.5Low69.1Low36 Ų3689.5 Ų89.523%0.23446%0.459CS..  trans-75-6.6-170.332.9-37.8000113.2F201 K226F201-P233 HydrophobicContact CE2-CB 3.6Å; F201-P233 HydrophobicContact CE2-CG 4.07Å; F201-P233 HydrophobicContact CZ-CB 3.61Å; F201-P233 HydrophobicContact CZ-CG 4.26Å; K226-P233 PolarHBondContact N-O 2.86Å
234Y68.9Low68.9Low69 Ų6992.5 Ų92.527%0.27148%0.478SS..EExtended strand (participates in β ladder)trans-147.7149.6171.447.5-103.1000113.5F201 T205 W209 M223 H224 F225 K232F201-Y234 HydrophobicContact CZ-CD1 4.15Å; T205-Y234 HydrophobicContact CG2-CD1 4.07Å; T205-Y234 HydrophobicContact CG2-CE1 3.84Å; W209-Y234 HydrophobicContact CZ2-CD2 4.47Å; W209-Y234 HydrophobicContact CZ2-CE2 4.49Å; W209-Y234 HydrophobicContact CZ2-CG 4.47Å; M223-Y234 HydrophobicContact CE-CD2 3.32Å; M223-Y234 HydrophobicContact CE-CE2 4.13Å; M223-Y234 HydrophobicContact CE-CG 3.88Å; H224-Y234 CarbonylContact O-C 3.54Å; H224-Y234 WeakPolarHBondContact O-CA 3.28Å; H224-Y234 WeakPolarHBondContact O-CB 3.37Å; F225-Y234 HydrophobicContact CE1-CD1 4.43Å; F225-Y234 HydrophobicContact CE1-CG 4.37Å; K232-Y234 PolarHBondContact O-N 3.32Å; K232-Y234 VanDerWaalsContact O-N 3.14Å
235E70.8Confident68.6Low78 Ų7894.9 Ų94.936%0.36449%0.491SS..EExtended strand (participates in β ladder)trans-134.9139.1-177.5-174.3177.9-17800111.3H224 K226H224-E235 PolarHBondContact N-O 2.93Å; H224-E235 PolarHBondContact O-N 3.36Å; K226-E235 IonicContact NZ-OE2 2.87Å; K226-E235 PolarHBondContact NZ-OE2 3.16Å
236V70.7Confident68.8Low68 Ų68100.1 Ų100.141%0.41252%0.518SS..EExtended strand (participates in β ladder)trans-78.4125.1172.6-179.30000108.9M223 S238M223-V236 HydrophobicContact CE-CG2 4.39Å; M223-V236 HydrophobicContact SD-CB 4.42Å; M223-V236 HydrophobicContact SD-CG2 3.62Å; V236-S238 PolarHBondContact O-N 3.11Å
237C58.9Low69.8Low49 Ų49102 Ų10233%0.33153%0.531SS..  trans-74.591.9176.7-62.50000111.9L135 L222L135-C237 HydrophobicContact CD1-CB 4.36Å; L135-C237 VanDerWaalsContact CD1-SG 3.57Å; L222-C237 HydrophobicContact CB-CB 4.41Å; L222-C237 PolarHBondContact O-N 3.5Å; L222-C237 VanDerWaalsContact O-N 3.08Å
238S66Low70.8Confident76 Ų76103.8 Ų103.853%0.53154%0.536SS..  trans-100.6155.7171.5600000112.3V236 Q240V236-S238 PolarHBondContact O-N 3.11Å; S238-Q240 PolarHBondContact O-N 3.01Å
239I65.7Low72Confident138 Ų13899.3 Ų99.371%0.70852%0.524SS*.  trans-63104.5168.2-58.9174000107.6R241I239-R241 HydrophobicContact CG2-CG 4.38Å; I239-R241 PolarHBondContact O-N 2.9Å
240Q65.2Low73.7Confident143 Ų143100.2 Ų100.267%0.66853%0.528SS*.  trans-71.5110.4175.2-73.5-78-19.600107.8S238S238-Q240 PolarHBondContact O-N 3.01Å
241R74.6Confident75.3Confident167 Ų16798.6 Ų98.663%0.6352%0.515SS*.  trans-96.6141.7170.6-64.9-176.1-175.597.6-2.5109.2I239 D245I239-R241 HydrophobicContact CG2-CG 4.38Å; I239-R241 PolarHBondContact O-N 2.9Å; R241-D245 WeakPolarHBondContact CA-OD2 3.41Å; R241-D245 HydrophobicContact CB-CB 4.25Å; R241-D245 WeakPolarHBondContact CB-OD2 3.26Å
242S81.5Confident76.8Confident56 Ų5695.6 Ų95.639%0.39251%0.508SS..  trans-66.7164.4167.2920000110.3T244 D245S242-T244 PolarHBondContact O-N 3.21Å; S242-T244 VanDerWaalsContact O-N 3.14Å; S242-T244 PolarHBondContact OG-N 2.89Å; S242-T244 VanDerWaalsContact OG-N 3.1Å; S242-T244 PolarHBondContact OG-OG1 3.44Å; S242-T244 VanDerWaalsContact OG-OG1 3.06Å; S242-D245 WeakPolarHBondContact CB-OD1 3.46Å; S242-D245 VanDerWaalsContact N-CG 3.29Å; S242-D245 PolarHBondContact N-OD2 3.27Å; S242-D245 PolarHBondContact O-N 3.48Å; S242-D245 VanDerWaalsContact OG-CG 3.26Å; S242-D245 PolarHBondContact OG-N 3.38Å; S242-D245 VanDerWaalsContact OG-N 3.15Å; S242-D245 PolarHBondContact OG-OD1 3.1Å
243K84.6Confident78.4Confident213 Ų21393.4 Ų93.493%0.92651%0.507SS*.SBendtrans-63.5-15.8175.4-64.7-177.4-179.7-179.50112.9
244T87.6Confident79.5Confident68 Ų6896.8 Ų96.842%0.41753%0.527SS..SBendtrans-109.8-11.1-176.1500000113.9S242 I246 L247 E248S242-T244 PolarHBondContact O-N 3.21Å; S242-T244 VanDerWaalsContact O-N 3.14Å; S242-T244 PolarHBondContact OG-N 2.89Å; S242-T244 VanDerWaalsContact OG-N 3.1Å; S242-T244 PolarHBondContact OG-OG1 3.44Å; S242-T244 VanDerWaalsContact OG-OG1 3.06Å; T244-I246 VanDerWaalsContact C-N 3.26Å; T244-I246 PolarHBondContact O-N 2.87Å; T244-I246 VanDerWaalsContact O-N 3.15Å; T244-L247 CarbonylContact O-C 3.58Å; T244-L247 WeakPolarHBondContact O-CA 3.41Å; T244-L247 WeakPolarHBondContact O-CB 3.36Å; T244-L247 PolarHBondContact O-N 2.95Å; T244-E248 WeakPolarHBondContact O-CG 3.46Å; T244-E248 PolarHBondContact O-N 3.42Å
245D84.8Confident80Confident58 Ų5896.7 Ų96.731%0.3155%0.547SS..Hα-helixtrans-56.6-38.6-174.2-69.4-2.5000113.2R241 S242 E248 A249R241-D245 WeakPolarHBondContact CA-OD2 3.41Å; R241-D245 HydrophobicContact CB-CB 4.25Å; R241-D245 WeakPolarHBondContact CB-OD2 3.26Å; S242-D245 WeakPolarHBondContact CB-OD1 3.46Å; S242-D245 VanDerWaalsContact N-CG 3.29Å; S242-D245 PolarHBondContact N-OD2 3.27Å; S242-D245 PolarHBondContact O-N 3.48Å; S242-D245 VanDerWaalsContact OG-CG 3.26Å; S242-D245 PolarHBondContact OG-N 3.38Å; S242-D245 VanDerWaalsContact OG-N 3.15Å; S242-D245 PolarHBondContact OG-OD1 3.1Å; D245-E248 PolarHBondContact O-N 3.33Å; D245-A249 WeakPolarHBondContact O-CB 3.42Å; D245-A249 PolarHBondContact O-N 3.49Å
246I88.9Confident80.5Confident113 Ų11396.9 Ų96.958%0.57955%0.551SS**Hα-helixtrans-67.9-39.4177.1-61.8176.9000110.4T244 A249 L250T244-I246 VanDerWaalsContact C-N 3.26Å; T244-I246 PolarHBondContact O-N 2.87Å; T244-I246 VanDerWaalsContact O-N 3.15Å; I246-A249 PolarHBondContact O-N 2.86Å; I246-L250 HydrophobicContact CG2-CD1 4.11Å; I246-L250 HydrophobicContact CG2-CG 4.44Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.27Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.21Å
247L90.1Very high81.2Confident116 Ų11697.3 Ų97.361%0.60755%0.551SS**Hα-helixtrans-66.8-39.7177.3-65.2174.7000111.2T244 L250 A251T244-L247 CarbonylContact O-C 3.58Å; T244-L247 WeakPolarHBondContact O-CA 3.41Å; T244-L247 WeakPolarHBondContact O-CB 3.36Å; T244-L247 PolarHBondContact O-N 2.95Å; L247-L250 PolarHBondContact O-N 3.34Å; L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.37Å; L247-A251 PolarHBondContact O-N 2.83Å
248E86Confident82.2Confident83 Ų8397.5 Ų97.539%0.38855%0.552SS.*Hα-helixtrans-66.3-40.5175.5-65.8-175.8167.900111.8T244 D245 A251 S252 R606T244-E248 WeakPolarHBondContact O-CG 3.46Å; T244-E248 PolarHBondContact O-N 3.42Å; D245-E248 PolarHBondContact O-N 3.33Å; E248-A251 PolarHBondContact O-N 2.94Å; E248-S252 PolarHBondContact O-N 2.64Å; E248-S252 PolarHBondContact O-OG 3.08Å; E248-R606 IonicContact OE1-CZ 2.69Å; E248-R606 IonicContact OE1-NH1 3.9Å; E248-R606 IonicContact OE1-NH2 2.77Å; E248-R606 PolarHBondContact OE1-NH2 3.22Å; E248-R606 IonicContact OE2-NH2 3.21Å; E248-R606 PolarHBondContact OE2-NH2 3.36Å
249A87.5Confident83Confident54 Ų5499.2 Ų99.245%0.44656%0.559SS.*Hα-helixtrans-64.7-39.9174.600000111.9D245 I246 S252 T253D245-A249 WeakPolarHBondContact O-CB 3.42Å; D245-A249 PolarHBondContact O-N 3.49Å; I246-A249 PolarHBondContact O-N 2.86Å; A249-S252 PolarHBondContact O-OG 2.91Å; A249-T253 WeakPolarHBondContact O-CG2 3.19Å
250L90.8Very high83.7Confident102 Ų10293.7 Ų93.753%0.53453%0.534SS..Hα-helixtrans-67.1-46.3175-72.2171.5000111.1I246 L247 S252 T253I246-L250 HydrophobicContact CG2-CD1 4.11Å; I246-L250 HydrophobicContact CG2-CG 4.44Å; I246-L250 WeakPolarHBondContact O-CB 3.31Å; I246-L250 VanDerWaalsContact O-CG 3.27Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 3.21Å; L247-L250 PolarHBondContact O-N 3.34Å; L250-S252 PolarHBondContact O-N 2.87Å; L250-T253 PolarHBondContact O-N 3.3Å; L250-T253 PolarHBondContact O-OG1 3.33Å
251A86.9Confident84.5Confident67 Ų6787.4 Ų87.455%0.55451%0.506SS*.Hα-helixtrans-58.7-36.317900000112.3L247 E248 T253 V254L247-A251 VanDerWaalsContact O-CB 3.31Å; L247-A251 WeakPolarHBondContact O-CB 3.37Å; L247-A251 PolarHBondContact O-N 2.83Å; E248-A251 PolarHBondContact O-N 2.94Å; A251-T253 PolarHBondContact O-N 3.22Å; A251-V254 PolarHBondContact O-N 3.36Å
252S84.4Confident85Confident98 Ų9882.9 Ų82.969%0.68549%0.491SS*.THydrogen-bonded Turntrans-72.5-13.4178.370.80000114.5E248 A249 L250E248-S252 PolarHBondContact O-N 2.64Å; E248-S252 PolarHBondContact O-OG 3.08Å; A249-S252 PolarHBondContact O-OG 2.91Å; L250-S252 PolarHBondContact O-N 2.87Å
253T89.2Confident85.2Confident109 Ų10990.4 Ų90.467%0.66951%0.513SS*.THydrogen-bonded Turntrans-84.7-9174.865.10000114.1A249 L250 A251A249-T253 WeakPolarHBondContact O-CG2 3.19Å; L250-T253 PolarHBondContact O-N 3.3Å; L250-T253 PolarHBondContact O-OG1 3.33Å; A251-T253 PolarHBondContact O-N 3.22Å
254V86.1Confident85.2Confident107 Ų10781.8 Ų81.865%0.64848%0.476SS*.SBendtrans-118.4123.2-175.3-153.60000109.6A251A251-V254 PolarHBondContact O-N 3.36Å
255G80.2Confident85.3Confident67 Ų6779.6 Ų79.669%0.69146%0.46SS*.  trans-71.6170.7172.700000112.4
256N80.8Confident85.6Confident82 Ų8282.9 Ų82.944%0.43947%0.474SS..  trans-70.7140.8170.7-71.2-59.1000110.6P258 R608 R648 F649N256-P258 VanDerWaalsContact O-CD 3.29Å; N256-P258 WeakPolarHBondContact O-CD 3.26Å; N256-R608 PolarHBondContact ND2-NH1 3.25Å; N256-R648 PolarHBondContact OD1-NH2 3.3Å; N256-F649 HydrophobicContact CB-CZ 4.41Å
257D85.4Confident85.5Confident77 Ų7784.2 Ų84.241%0.41248%0.482SS..  trans-79.6112.2165.8-178.1-8000109T259 A260 R648D257-T259 VanDerWaalsContact C-N 3.27Å; D257-T259 PolarHBondContact O-N 3.45Å; D257-T259 PolarHBondContact OD1-N 2.93Å; D257-T259 PolarHBondContact OD1-OG1 3.48Å; D257-A260 HydrophobicContact CB-CB 4.16Å; D257-R648 WeakPolarHBondContact O-CD 3.45Å; D257-R648 PolarHBondContact O-NH1 3.23Å
258P80.7Confident85.5Confident54 Ų5482.1 Ų82.135%0.35147%0.472SS..SBendtrans-71.2-23.2-179.129.3-33.6000112.8N256 D643N256-P258 VanDerWaalsContact O-CD 3.29Å; N256-P258 WeakPolarHBondContact O-CD 3.26Å; P258-D643 WeakPolarHBondContact CB-O 3.45Å
259T81Confident85.6Confident112 Ų11284.1 Ų84.169%0.68749%0.492SS*.SBendtrans-84.5-19.1-175.367.70000113.3D257D257-T259 VanDerWaalsContact C-N 3.27Å; D257-T259 PolarHBondContact O-N 3.45Å; D257-T259 PolarHBondContact OD1-N 2.93Å; D257-T259 PolarHBondContact OD1-OG1 3.48Å
260A81.4Confident85.6Confident21 Ų2190.9 Ų90.917%0.17451%0.507CS..SBendtrans-94.5150-178.300000112.7D257 R648D257-A260 HydrophobicContact CB-CB 4.16Å; A260-R648 VanDerWaalsContact O-CB 3.22Å; A260-R648 WeakPolarHBondContact O-CB 3.4Å
261S82.7Confident85.5Confident11 Ų1189.7 Ų89.78%0.07750%0.501CS..PPolyproline II helixtrans-69173.1168.5-157.30000111.6Y263 Y265S261-Y263 PolarHBondContact O-N 3.48Å; S261-Y265 WeakPolarHBondContact OG-CD2 3.37Å
262H84.7Confident85.5Confident72 Ų7288.3 Ų88.333%0.33348%0.484SS..PPolyproline II helixtrans-59.5138.3173.2-172.7-95.9000110.9M264 Y265H262-M264 HydrophobicContact CB-CG 4.27Å; H262-M264 WeakPolarHBondContact ND1-CB 3.17Å; H262-M264 VanDerWaalsContact ND1-CG 3.26Å; H262-M264 WeakPolarHBondContact ND1-CG 3.48Å; H262-M264 PolarHBondContact ND1-N 2.82Å; H262-M264 PolarHBondContact ND1-SD 3.25Å; H262-M264 PolarHBondContact O-N 3.27Å; H262-Y265 HydrophobicContact CB-CD2 4.04Å; H262-Y265 HydrophobicContact CB-CE2 3.99Å; H262-Y265 VanDerWaalsContact O-CD2 3.31Å; H262-Y265 WeakPolarHBondContact O-CD2 3.49Å; H262-Y265 PolarHBondContact O-N 3.27Å
263Y86.4Confident85.7Confident215 Ų21583.6 Ų83.684%0.84345%0.451SS*.THydrogen-bonded Turntrans-55-16.6-175-179.8-102.6000114.8S261 Y265S261-Y263 PolarHBondContact O-N 3.48Å; Y263-Y265 PolarHBondContact O-N 3.41Å
264M84.6Confident85.3Confident31 Ų3181 Ų8115%0.15344%0.435CS..THydrogen-bonded Turntrans-64.1-24.6174.473.4-171.1-73.700113.9H262 K286 W390 I391H262-M264 HydrophobicContact CB-CG 4.27Å; H262-M264 WeakPolarHBondContact ND1-CB 3.17Å; H262-M264 VanDerWaalsContact ND1-CG 3.26Å; H262-M264 WeakPolarHBondContact ND1-CG 3.48Å; H262-M264 PolarHBondContact ND1-N 2.82Å; H262-M264 PolarHBondContact ND1-SD 3.25Å; H262-M264 PolarHBondContact O-N 3.27Å; M264-K286 PolarHBondContact O-NZ 2.65Å; M264-W390 HydrophobicContact CE-CZ3 4.33Å; M264-W390 HydrophobicContact SD-CH2 4.47Å; M264-W390 HydrophobicContact SD-CZ3 3.77Å; M264-I391 HydrophobicContact CE-CD1 3.99Å; M264-I391 HydrophobicContact CE-CG1 4.44Å
265Y89.3Confident85.2Confident23 Ų2377 Ų779%0.0941%0.412CS..SBendtrans-94.3157.5-178.2-54.4-64.6000111.3S261 H262 Y263 P273 K279 M614S261-Y265 WeakPolarHBondContact OG-CD2 3.37Å; H262-Y265 HydrophobicContact CB-CD2 4.04Å; H262-Y265 HydrophobicContact CB-CE2 3.99Å; H262-Y265 VanDerWaalsContact O-CD2 3.31Å; H262-Y265 WeakPolarHBondContact O-CD2 3.49Å; H262-Y265 PolarHBondContact O-N 3.27Å; Y263-Y265 PolarHBondContact O-N 3.41Å; Y265-P273 HydrophobicContact CD1-CG 3.59Å; Y265-P273 HydrophobicContact CD2-CG 3.68Å; Y265-P273 HydrophobicContact CE1-CG 3.82Å; Y265-P273 HydrophobicContact CE2-CG 3.91Å; Y265-P273 HydrophobicContact CG-CG 3.51Å; Y265-K279 HydrophobicContact CE2-CG 4.22Å; Y265-K279 WeakPolarHBondContact OH-CB 3.47Å; Y265-K279 PolarHBondContact OH-O 3.4Å; Y265-M614 VanDerWaalsContact OH-CE 3.32Å; Y265-M614 WeakPolarHBondContact OH-CE 3.11Å
266Q89.5Confident85.4Confident127 Ų12776.3 Ų76.359%0.59340%0.4SS*.  trans-75.9133.1176.8-65.2-64.5-17.900109.5D268 L271Q266-D268 PolarHBondContact O-N 3.35Å; Q266-L271 HydrophobicContact CB-CB 3.97Å; Q266-L271 HydrophobicContact CB-CD1 4.04Å; Q266-L271 HydrophobicContact CG-CD1 4.18Å
267D88.5Confident85.6Confident141 Ų14176 Ų7675%0.75441%0.409SS*.SBendtrans-8167174.8-167.719.1000110.1
268D89.9Confident85.7Confident72 Ų7273.3 Ų73.339%0.38540%0.396SS..SBendtrans-137.7129.3177176.1-72.9000108Q266 Y270 L271 L272Q266-D268 PolarHBondContact O-N 3.35Å; D268-Y270 PolarHBondContact O-N 3.2Å; D268-Y270 WeakPolarHBondContact OD1-CA 3.22Å; D268-Y270 VanDerWaalsContact OD1-CB 3.25Å; D268-Y270 WeakPolarHBondContact OD1-CB 3.25Å; D268-Y270 PolarHBondContact OD1-N 3.42Å; D268-L271 HydrophobicContact CB-CB 4.2Å; D268-L271 HydrophobicContact CB-CD1 4.42Å; D268-L271 HydrophobicContact CB-CG 4.41Å; D268-L271 CarbonylContact O-C 3.14Å; D268-L271 PolarHBondContact O-N 3.07Å; D268-L271 PolarHBondContact OD1-N 3.05Å; D268-L272 WeakPolarHBondContact O-CB 3.38Å; D268-L272 PolarHBondContact O-N 3.39Å
269P86.7Confident86Confident125 Ų12571.2 Ų71.281%0.81238%0.381SS*.THydrogen-bonded Turntrans-55.6-28.6-175.5-27.534.5000115
270Y88Confident86.4Confident195 Ų19570 Ų7077%0.76536%0.364SS*.THydrogen-bonded Turntrans-81.1-31.7177.7-178.8-97.8000112.3D268D268-Y270 PolarHBondContact O-N 3.2Å; D268-Y270 WeakPolarHBondContact OD1-CA 3.22Å; D268-Y270 VanDerWaalsContact OD1-CB 3.25Å; D268-Y270 WeakPolarHBondContact OD1-CB 3.25Å; D268-Y270 PolarHBondContact OD1-N 3.42Å
271L89.7Confident86.7Confident77 Ų7771.7 Ų71.740%0.40338%0.378SS..THydrogen-bonded Turntrans-96.8-2.6-179.4-59178000113.7Q266 D268 P273 Y282Q266-L271 HydrophobicContact CB-CB 3.97Å; Q266-L271 HydrophobicContact CB-CD1 4.04Å; Q266-L271 HydrophobicContact CG-CD1 4.18Å; D268-L271 HydrophobicContact CB-CB 4.2Å; D268-L271 HydrophobicContact CB-CD1 4.42Å; D268-L271 HydrophobicContact CB-CG 4.41Å; D268-L271 CarbonylContact O-C 3.14Å; D268-L271 PolarHBondContact O-N 3.07Å; D268-L271 PolarHBondContact OD1-N 3.05Å; L271-P273 WeakPolarHBondContact O-CD 3.44Å; L271-Y282 WeakPolarHBondContact O-CD2 3.34Å; L271-Y282 WeakPolarHBondContact O-CE2 3.42Å
272L86.5Confident87.1Confident38 Ų3876 Ų7620%0.19939%0.393CS..SBendtrans-72.7122.4178-130.5117.5000110D268 T274D268-L272 WeakPolarHBondContact O-CB 3.38Å; D268-L272 PolarHBondContact O-N 3.39Å; L272-T274 PolarHBondContact O-N 2.9Å
273P87.7Confident87.3Confident0 Ų072.7 Ų72.70%038%0.379CS..  trans-77118.4177.831-34.1000110.5Y265 L271 S278 K279 Y282Y265-P273 HydrophobicContact CD1-CG 3.59Å; Y265-P273 HydrophobicContact CD2-CG 3.68Å; Y265-P273 HydrophobicContact CE1-CG 3.82Å; Y265-P273 HydrophobicContact CE2-CG 3.91Å; Y265-P273 HydrophobicContact CG-CG 3.51Å; L271-P273 WeakPolarHBondContact O-CD 3.44Å; P273-S278 WeakPolarHBondContact CA-OG 3.14Å; P273-S278 WeakPolarHBondContact CB-OG 3.41Å; P273-K279 HydrophobicContact CB-CB 4.23Å; P273-K279 HydrophobicContact CB-CG 3.64Å; P273-K279 HydrophobicContact CG-CG 3.73Å; P273-Y282 HydrophobicContact CB-CD2 3.82Å; P273-Y282 HydrophobicContact CB-CE2 4.16Å; P273-Y282 HydrophobicContact CG-CD2 4.3Å
274T80.6Confident87.4Confident54 Ų5464.7 Ų64.733%0.33135%0.35SS..  trans-91.1-30-178.558.20000113L272 S278 S651 L682 Q683L272-T274 PolarHBondContact O-N 2.9Å; T274-S278 PolarHBondContact N-OG 3.14Å; T274-S651 PolarHBondContact O-OG 3.39Å; T274-L682 WeakPolarHBondContact CB-O 3.5Å; T274-L682 HydrophobicContact CG2-CD2 4.43Å; T274-L682 PolarHBondContact OG1-O 3.33Å; T274-Q683 VanDerWaalsContact O-CD 3.26Å; T274-Q683 PolarHBondContact O-NE2 3.44Å; T274-Q683 PolarHBondContact O-OE1 3Å
275S85.8Confident87.7Confident24 Ų2465.4 Ų65.417%0.16837%0.365CS..SBendtrans-111.6156.7-178.769.20000113A277 S278 K279S275-A277 PolarHBondContact O-N 3.07Å; S275-S278 PolarHBondContact N-OG 3.09Å; S275-S278 PolarHBondContact O-N 3.31Å; S275-S278 PolarHBondContact O-OG 3.25Å; S275-S278 WeakPolarHBondContact OG-CB 3.49Å; S275-S278 PolarHBondContact OG-N 3.45Å; S275-S278 VanDerWaalsContact OG-N 3.15Å; S275-S278 PolarHBondContact OG-OG 2.8Å; S275-S278 VanDerWaalsContact OG-OG 3.1Å; S275-K279 PolarHBondContact O-N 3.26Å
276A84.3Confident87.7Confident52 Ų5270 Ų7043%0.4339%0.386SS..Hα-helixtrans-55.6-37.7174.500000112.5K279 R280A276-K279 PolarHBondContact O-N 2.92Å; A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 2.92Å
277A83.9Confident87.6Confident76 Ų7664.7 Ų64.763%0.62836%0.361SS*.Hα-helixtrans-63.7-43.9175.500000111.9S275 A281S275-A277 PolarHBondContact O-N 3.07Å; A277-A281 VanDerWaalsContact O-CB 3.29Å; A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 2.87Å
278S88.1Confident87.6Confident20 Ų2060.7 Ų60.714%0.1435%0.347CS..Hα-helixtrans-67.7-41.3176.3630000112.8P273 T274 S275 R280 A281 Y282P273-S278 WeakPolarHBondContact CA-OG 3.14Å; P273-S278 WeakPolarHBondContact CB-OG 3.41Å; T274-S278 PolarHBondContact N-OG 3.14Å; S275-S278 PolarHBondContact N-OG 3.09Å; S275-S278 PolarHBondContact O-N 3.31Å; S275-S278 PolarHBondContact O-OG 3.25Å; S275-S278 WeakPolarHBondContact OG-CB 3.49Å; S275-S278 PolarHBondContact OG-N 3.45Å; S275-S278 VanDerWaalsContact OG-N 3.15Å; S275-S278 PolarHBondContact OG-OG 2.8Å; S275-S278 VanDerWaalsContact OG-OG 3.1Å; S278-R280 VanDerWaalsContact C-N 3.35Å; S278-R280 PolarHBondContact O-N 2.91Å; S278-A281 PolarHBondContact O-N 3.28Å; S278-Y282 WeakPolarHBondContact O-CB 3.42Å; S278-Y282 WeakPolarHBondContact O-CD1 2.92Å; S278-Y282 VanDerWaalsContact O-CG 3.29Å; S278-Y282 PolarHBondContact O-N 3.45Å
279K87.8Confident87.7Confident10 Ų1059.3 Ų59.34%0.04335%0.35CS..Hα-helixtrans-54.9-51.6174.1-78.8-174.7176176.60110.5Y265 P273 S275 A276 G283 M614 P647 R648 Y650 S651Y265-K279 HydrophobicContact CE2-CG 4.22Å; Y265-K279 WeakPolarHBondContact OH-CB 3.47Å; Y265-K279 PolarHBondContact OH-O 3.4Å; P273-K279 HydrophobicContact CB-CB 4.23Å; P273-K279 HydrophobicContact CB-CG 3.64Å; P273-K279 HydrophobicContact CG-CG 3.73Å; S275-K279 PolarHBondContact O-N 3.26Å; A276-K279 PolarHBondContact O-N 2.92Å; K279-G283 PolarHBondContact O-N 3.1Å; K279-M614 HydrophobicContact CB-CE 4.03Å; K279-M614 HydrophobicContact CB-SD 4.21Å; K279-P647 VanDerWaalsContact CE-O 3.27Å; K279-P647 WeakPolarHBondContact CE-O 3.46Å; K279-P647 PolarHBondContact NZ-O 3.17Å; K279-R648 PolarHBondContact NZ-O 3.38Å; K279-Y650 PolarHBondContact NZ-O 3.48Å; K279-S651 WeakPolarHBondContact CD-OG 3.3Å; K279-S651 WeakPolarHBondContact CE-OG 3.45Å; K279-S651 PolarHBondContact NZ-OG 3.24Å; K279-S651 VanDerWaalsContact NZ-OG 3.12Å
280R87.7Confident87.7Confident87 Ų8758 Ų5833%0.32833%0.329SS..Hα-helixtrans-60-49.9176.3-171.2-176.8-177.5-176.35.9111.7A276 S278 Y282 G283 L284 I391 E394 M614A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 2.92Å; S278-R280 VanDerWaalsContact C-N 3.35Å; S278-R280 PolarHBondContact O-N 2.91Å; R280-Y282 PolarHBondContact O-N 2.89Å; R280-G283 PolarHBondContact O-N 3.14Å; R280-L284 HydrophobicContact CG-CD1 3.88Å; R280-L284 HydrophobicContact CG-CG 4.34Å; R280-L284 WeakPolarHBondContact O-CB 3.28Å; R280-L284 VanDerWaalsContact O-CG 3.27Å; R280-L284 WeakPolarHBondContact O-CG 3.13Å; R280-L284 PolarHBondContact O-N 3.45Å; R280-I391 HydrophobicContact CB-CG2 4.3Å; R280-I391 HydrophobicContact CG-CG2 3.63Å; R280-E394 IonicContact CZ-OE1 3.92Å; R280-E394 IonicContact NH1-OE1 3.21Å; R280-E394 PolarHBondContact NH1-OE1 3.28Å; R280-E394 IonicContact NH2-OE1 3.44Å; R280-E394 PolarHBondContact NH2-OE1 3.38Å; R280-M614 HydrophobicContact CB-SD 4.41Å
281A89.1Confident87.6Confident55 Ų5552.3 Ų52.346%0.45531%0.306SS..Hα-helixtrans-61.3-43.6-17800000112.3A277 S278 G285A277-A281 VanDerWaalsContact O-CB 3.29Å; A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 2.87Å; S278-A281 PolarHBondContact O-N 3.28Å; A281-G285 PolarHBondContact O-N 2.76Å
282Y91.1Very high87.6Confident102 Ų10250.8 Ų50.840%0.431%0.305SS..Hα-helixtrans-71.2-41.3-178.9-68.25.2000111.2L271 P273 S278 R280 G285 K286L271-Y282 WeakPolarHBondContact O-CD2 3.34Å; L271-Y282 WeakPolarHBondContact O-CE2 3.42Å; P273-Y282 HydrophobicContact CB-CD2 3.82Å; P273-Y282 HydrophobicContact CB-CE2 4.16Å; P273-Y282 HydrophobicContact CG-CD2 4.3Å; S278-Y282 WeakPolarHBondContact O-CB 3.42Å; S278-Y282 WeakPolarHBondContact O-CD1 2.92Å; S278-Y282 VanDerWaalsContact O-CG 3.29Å; S278-Y282 PolarHBondContact O-N 3.45Å; R280-Y282 PolarHBondContact O-N 2.89Å; Y282-G285 PolarHBondContact O-N 3.24Å; Y282-K286 PolarHBondContact O-N 3.24Å
283G88.5Confident87.7Confident3 Ų351.8 Ų51.83%0.03132%0.318CS..Hα-helixtrans-60.4-48.6173.500000112.3K279 R280 G285 K286 E287 I391K279-G283 PolarHBondContact O-N 3.1Å; R280-G283 PolarHBondContact O-N 3.14Å; G283-G285 VanDerWaalsContact C-N 3.35Å; G283-G285 PolarHBondContact O-N 2.93Å; G283-K286 PolarHBondContact O-N 2.93Å; G283-E287 PolarHBondContact O-N 3.36Å; G283-E287 VanDerWaalsContact O-N 3.09Å; G283-I391 VanDerWaalsContact C-CD1 3.48Å
284L87.4Confident87.6Confident47 Ų4755.7 Ų55.725%0.24633%0.333CS..Hα-helixtrans-66.5-35.6176.7-68.1177.8000112.4R280 E287 A288 I391 L392R280-L284 HydrophobicContact CG-CD1 3.88Å; R280-L284 HydrophobicContact CG-CG 4.34Å; R280-L284 WeakPolarHBondContact O-CB 3.28Å; R280-L284 VanDerWaalsContact O-CG 3.27Å; R280-L284 WeakPolarHBondContact O-CG 3.13Å; R280-L284 PolarHBondContact O-N 3.45Å; L284-E287 PolarHBondContact O-N 3.33Å; L284-A288 VanDerWaalsContact O-CB 3.3Å; L284-A288 WeakPolarHBondContact O-CB 3.4Å; L284-A288 PolarHBondContact O-N 3.3Å; L284-I391 HydrophobicContact CD1-CG2 4.4Å; L284-I391 HydrophobicContact CD2-CB 4.17Å; L284-I391 HydrophobicContact CD2-CG2 3.76Å; L284-I391 HydrophobicContact CG-CG2 3.71Å; L284-L392 HydrophobicContact CD1-CD2 3.83Å; L284-L392 HydrophobicContact CD2-CD2 3.65Å; L284-L392 HydrophobicContact CD2-CG 3.72Å; L284-L392 HydrophobicContact CG-CD2 4.37Å
285G90.7Very high87.7Confident45 Ų4559.4 Ų59.446%0.46434%0.342SS..Hα-helixtrans-61.9-45.6174.800000112.1A281 Y282 G283 E287 A288 G289A281-G285 PolarHBondContact O-N 2.76Å; Y282-G285 PolarHBondContact O-N 3.24Å; G283-G285 VanDerWaalsContact C-N 3.35Å; G283-G285 PolarHBondContact O-N 2.93Å; G285-E287 VanDerWaalsContact C-N 3.27Å; G285-E287 PolarHBondContact O-N 2.78Å; G285-A288 PolarHBondContact O-N 3.13Å; G285-G289 PolarHBondContact O-N 3.01Å
286K90.3Very high87.8Confident120 Ų12063.8 Ų63.852%0.52236%0.358SS..Hα-helixtrans-57.9-42.6173.7-171.6177.8-172.2175.70111.1M264 Y282 G283 G289 R290M264-K286 PolarHBondContact O-NZ 2.65Å; Y282-K286 PolarHBondContact O-N 3.24Å; G283-K286 PolarHBondContact O-N 2.93Å; K286-G289 PolarHBondContact O-N 3.39Å; K286-R290 PolarHBondContact O-N 3.3Å
287E87Confident87.8Confident15 Ų1562.2 Ų62.27%0.0735%0.345CS..Hα-helixtrans-79.1-29.6-176.4-149.557.417600114.5G283 L284 G285 G289 R290 R291 S385 H388G283-E287 PolarHBondContact O-N 3.36Å; G283-E287 VanDerWaalsContact O-N 3.09Å; L284-E287 PolarHBondContact O-N 3.33Å; G285-E287 VanDerWaalsContact C-N 3.27Å; G285-E287 PolarHBondContact O-N 2.78Å; E287-G289 VanDerWaalsContact C-N 3.33Å; E287-R290 VanDerWaalsContact CD-CD 3.46Å; E287-R290 PolarHBondContact O-N 3.01Å; E287-R290 WeakPolarHBondContact OE1-CD 3.43Å; E287-R290 IonicContact OE1-CZ 2.82Å; E287-R290 IonicContact OE1-NE 3.7Å; E287-R290 IonicContact OE1-NH1 3.34Å; E287-R290 PolarHBondContact OE1-NH1 3.37Å; E287-R290 VanDerWaalsContact OE2-CD 3.28Å; E287-R290 WeakPolarHBondContact OE2-CD 3.27Å; E287-R290 IonicContact OE2-NH1 2.63Å; E287-R291 WeakPolarHBondContact O-CG 3.44Å; E287-R291 PolarHBondContact O-N 3.18Å; E287-S385 WeakPolarHBondContact OE1-CB 3.49Å; E287-S385 PolarHBondContact OE1-OG 3.43Å; E287-H388 HydrophobicContact CG-CB 3.93Å
288A88.4Confident87.5Confident57 Ų5763.9 Ų63.947%0.47134%0.338SS..Hα-helixtrans-61.7-43165.500000111L284 G285 R291 A292L284-A288 VanDerWaalsContact O-CB 3.3Å; L284-A288 WeakPolarHBondContact O-CB 3.4Å; L284-A288 PolarHBondContact O-N 3.3Å; G285-A288 PolarHBondContact O-N 3.13Å; A288-R291 PolarHBondContact O-N 3.19Å; A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 2.83Å
289G91.4Very high87.3Confident43 Ų4367.3 Ų67.344%0.44335%0.352SS..Hα-helixtrans-60.1-44.4174.100000112.8G285 K286 E287 A292 A293G285-G289 PolarHBondContact O-N 3.01Å; K286-G289 PolarHBondContact O-N 3.39Å; E287-G289 VanDerWaalsContact C-N 3.33Å; G289-A292 PolarHBondContact O-N 3.37Å; G289-A293 PolarHBondContact O-N 3.16Å
290R88Confident87.3Confident98 Ų9871.9 Ų71.937%0.3737%0.372SS..Hα-helixtrans-59.6-46.9174-177.6-165.8177.6166.92.3112.1K286 E287 A293 R294 S385K286-R290 PolarHBondContact O-N 3.3Å; E287-R290 VanDerWaalsContact CD-CD 3.46Å; E287-R290 PolarHBondContact O-N 3.01Å; E287-R290 WeakPolarHBondContact OE1-CD 3.43Å; E287-R290 IonicContact OE1-CZ 2.82Å; E287-R290 IonicContact OE1-NE 3.7Å; E287-R290 IonicContact OE1-NH1 3.34Å; E287-R290 PolarHBondContact OE1-NH1 3.37Å; E287-R290 VanDerWaalsContact OE2-CD 3.28Å; E287-R290 WeakPolarHBondContact OE2-CD 3.27Å; E287-R290 IonicContact OE2-NH1 2.63Å; R290-A293 PolarHBondContact O-N 2.92Å; R290-R294 PolarHBondContact O-N 3.3Å; R290-S385 PolarHBondContact NH1-OG 3.24Å
291R85Confident87.1Confident76 Ų7670.4 Ų70.429%0.28737%0.374SS..Hα-helixtrans-62.5-42.9177.7-78.6-177.1169163.83.7111.7E287 A288 A293 R294 Y295 D381 H388E287-R291 WeakPolarHBondContact O-CG 3.44Å; E287-R291 PolarHBondContact O-N 3.18Å; A288-R291 PolarHBondContact O-N 3.19Å; R291-A293 PolarHBondContact O-N 2.71Å; R291-R294 PolarHBondContact O-N 2.95Å; R291-Y295 WeakPolarHBondContact O-CB 3.39Å; R291-Y295 PolarHBondContact O-N 2.76Å; R291-D381 IonicContact CZ-OD2 2.92Å; R291-D381 IonicContact NE-OD2 3.2Å; R291-D381 PolarHBondContact NE-OD2 3.4Å; R291-D381 IonicContact NH2-OD2 3.24Å; R291-D381 PolarHBondContact NH2-OD2 3.37Å; R291-H388 PolarHBondContact NH1-CE1 2.58Å; R291-H388 PolarHBondContact NH1-NE2 2.77Å; R291-H388 VanDerWaalsContact NH1-NE2 3.14Å; R291-H388 PolarHBondContact NH2-CD2 2.9Å; R291-H388 VanDerWaalsContact NH2-CD2 3.29Å; R291-H388 PolarHBondContact NH2-NE2 3.35Å; R291-H388 VanDerWaalsContact NH2-NE2 3.15Å
292A90.1Very high86.9Confident45 Ų4572.9 Ų72.937%0.37238%0.383SS..Hα-helixtrans-60-45.517500000111.5A288 G289 R294 Y295 F296A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 2.83Å; G289-A292 PolarHBondContact O-N 3.37Å; A292-R294 PolarHBondContact O-N 2.74Å; A292-Y295 WeakPolarHBondContact O-CB 3.43Å; A292-Y295 PolarHBondContact O-N 3.07Å; A292-F296 WeakPolarHBondContact O-CD2 3.29Å; A292-F296 PolarHBondContact O-N 3.4Å
293A89.1Confident86.8Confident59 Ų5974.2 Ų74.249%0.48840%0.396SS..Hα-helixtrans-61.6-41.9176.500000112.5G289 R290 R291 Y295 F296 A297G289-A293 PolarHBondContact O-N 3.16Å; R290-A293 PolarHBondContact O-N 2.92Å; R291-A293 PolarHBondContact O-N 2.71Å; A293-Y295 VanDerWaalsContact C-N 3.35Å; A293-F296 PolarHBondContact O-N 2.75Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 2.87Å
294R84.5Confident86.5Confident81 Ų8178.3 Ų78.331%0.30641%0.414SS..Hα-helixtrans-63.8-39.7174.4-77.8-165.8172.7168.51112.6R290 R291 A292 A297 K298 D383R290-R294 PolarHBondContact O-N 3.3Å; R291-R294 PolarHBondContact O-N 2.95Å; A292-R294 PolarHBondContact O-N 2.74Å; R294-A297 PolarHBondContact O-N 3.33Å; R294-K298 WeakPolarHBondContact O-CB 3.29Å; R294-K298 PolarHBondContact O-N 2.94Å; R294-D383 WeakPolarHBondContact CD-OD1 3.22Å; R294-D383 IonicContact CZ-OD1 2.9Å; R294-D383 IonicContact NE-OD1 3.33Å; R294-D383 IonicContact NH1-OD1 2.73Å; R294-D383 PolarHBondContact NH1-OD1 3.48Å
295Y83.5Confident85.9Confident133 Ų13382.4 Ų82.452%0.52243%0.433SS..Hα-helixtrans-58.9-50.3173.4175.6-99.3000110.9R291 A292 A293 A297 K298 E299R291-Y295 WeakPolarHBondContact O-CB 3.39Å; R291-Y295 PolarHBondContact O-N 2.76Å; A292-Y295 WeakPolarHBondContact O-CB 3.43Å; A292-Y295 PolarHBondContact O-N 3.07Å; A293-Y295 VanDerWaalsContact C-N 3.35Å; Y295-A297 VanDerWaalsContact C-N 3.33Å; Y295-A297 PolarHBondContact O-N 3.32Å; Y295-K298 WeakPolarHBondContact O-CB 3.5Å; Y295-K298 PolarHBondContact O-N 3.17Å; Y295-E299 HydrophobicContact CD1-CG 4.2Å; Y295-E299 HydrophobicContact CD2-CG 4.22Å; Y295-E299 HydrophobicContact CE1-CG 3.72Å; Y295-E299 HydrophobicContact CE2-CG 3.72Å; Y295-E299 WeakPolarHBondContact CE2-OE1 3.39Å; Y295-E299 HydrophobicContact CG-CG 4.43Å; Y295-E299 VanDerWaalsContact CZ-CG 3.44Å; Y295-E299 WeakPolarHBondContact O-CG 3.26Å; Y295-E299 PolarHBondContact O-N 3.32Å
296F87.1Confident85.2Confident116 Ų11686.6 Ų86.651%0.50944%0.444SS..Hα-helixtrans-58.7-42175.4-79.9-70.1000113.1A292 A293 K298 E299 F300A292-F296 WeakPolarHBondContact O-CD2 3.29Å; A292-F296 PolarHBondContact O-N 3.4Å; A293-F296 PolarHBondContact O-N 2.75Å; F296-K298 VanDerWaalsContact C-N 3.25Å; F296-K298 PolarHBondContact O-N 2.68Å; F296-E299 PolarHBondContact O-N 2.65Å; F296-F300 HydrophobicContact CD1-CD2 4.23Å; F296-F300 HydrophobicContact CD1-CE2 4.08Å; F296-F300 PolarHBondContact O-N 3.03Å
297A84.2Confident84.3Confident18 Ų1884.2 Ų84.215%0.14944%0.437CS..Hα-helixtrans-62.3-34.5176.100000112.6A293 R294 Y295 P301 F304 P318A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 2.87Å; R294-A297 PolarHBondContact O-N 3.33Å; Y295-A297 VanDerWaalsContact C-N 3.33Å; Y295-A297 PolarHBondContact O-N 3.32Å; A297-P301 WeakPolarHBondContact O-CA 3.28Å; A297-F304 VanDerWaalsContact CA-CE2 3.47Å; A297-F304 HydrophobicContact CB-CD2 4.14Å; A297-F304 HydrophobicContact CB-CE2 4.03Å; A297-F304 HydrophobicContact CB-CG 4.48Å; A297-F304 HydrophobicContact CB-CZ 4.23Å; A297-P318 HydrophobicContact CB-CG 4.39Å; A297-P318 VanDerWaalsContact O-CB 3.31Å; A297-P318 WeakPolarHBondContact O-CB 3.38Å; A297-P318 VanDerWaalsContact O-CG 3.3Å; A297-P318 WeakPolarHBondContact O-CG 3.49Å
298K79.3Confident84.1Confident111 Ų11190.9 Ų90.948%0.48347%0.468SS..Hα-helixtrans-74.7-41.5177.2-173.8-176.5175.3-171.50112.7R294 Y295 F296 P301 L321R294-K298 WeakPolarHBondContact O-CB 3.29Å; R294-K298 PolarHBondContact O-N 2.94Å; Y295-K298 WeakPolarHBondContact O-CB 3.5Å; Y295-K298 PolarHBondContact O-N 3.17Å; F296-K298 VanDerWaalsContact C-N 3.25Å; F296-K298 PolarHBondContact O-N 2.68Å; K298-P301 WeakPolarHBondContact O-CD 3.36Å; K298-L321 VanDerWaalsContact CE-O 3.31Å; K298-L321 WeakPolarHBondContact CE-O 3.22Å
299E84Confident83.7Confident92 Ų9290.7 Ų90.743%0.4346%0.459SS..Hα-helixtrans-70.4-35.2179.4-69-58.3133.100112.3Y295 F296 P301Y295-E299 HydrophobicContact CD1-CG 4.2Å; Y295-E299 HydrophobicContact CD2-CG 4.22Å; Y295-E299 HydrophobicContact CE1-CG 3.72Å; Y295-E299 HydrophobicContact CE2-CG 3.72Å; Y295-E299 WeakPolarHBondContact CE2-OE1 3.39Å; Y295-E299 HydrophobicContact CG-CG 4.43Å; Y295-E299 VanDerWaalsContact CZ-CG 3.44Å; Y295-E299 WeakPolarHBondContact O-CG 3.26Å; Y295-E299 PolarHBondContact O-N 3.32Å; F296-E299 PolarHBondContact O-N 2.65Å; E299-P301 VanDerWaalsContact C-CD 3.42Å; E299-P301 WeakPolarHBondContact O-CD 3.38Å
300F87.2Confident83.4Confident107 Ų10797.9 Ų97.947%0.46948%0.481SS..  trans-124.260.2-176.5-53.4-74.5000112.7F296 T302 L303 F304F296-F300 HydrophobicContact CD1-CD2 4.23Å; F296-F300 HydrophobicContact CD1-CE2 4.08Å; F296-F300 PolarHBondContact O-N 3.03Å; F300-T302 PolarHBondContact O-N 3.18Å; F300-T302 VanDerWaalsContact O-N 3.13Å; F300-L303 HydrophobicContact CB-CD1 3.74Å; F300-L303 HydrophobicContact CB-CG 4.1Å; F300-L303 HydrophobicContact CG-CD1 4.37Å; F300-L303 PolarHBondContact O-N 3.47Å; F300-L303 VanDerWaalsContact O-N 3.12Å; F300-F304 WeakPolarHBondContact O-CD2 3.43Å
301P83.6Confident83.2Confident56 Ų5698.7 Ų98.736%0.36450%0.499SS..G310 helixtrans-63.6-26.8-170.125.2-33.7000113.4A297 K298 E299 L303 F304 M305 P318A297-P301 WeakPolarHBondContact O-CA 3.28Å; K298-P301 WeakPolarHBondContact O-CD 3.36Å; E299-P301 VanDerWaalsContact C-CD 3.42Å; E299-P301 WeakPolarHBondContact O-CD 3.38Å; P301-L303 VanDerWaalsContact C-N 3.25Å; P301-L303 PolarHBondContact O-N 2.85Å; P301-F304 PolarHBondContact O-N 3.18Å; P301-M305 WeakPolarHBondContact O-CG 3.46Å; P301-M305 PolarHBondContact O-N 3.12Å; P301-P318 HydrophobicContact CB-CB 3.85Å; P301-P318 HydrophobicContact CB-CG 3.89Å
302T85.4Confident83.1Confident106 Ų106102.6 Ų102.665%0.6551%0.514SS*.G310 helixtrans-62.7-29.3178.3510000113.1F300 F304 M305F300-T302 PolarHBondContact O-N 3.18Å; F300-T302 VanDerWaalsContact O-N 3.13Å; T302-F304 PolarHBondContact O-N 3.24Å; T302-M305 HydrophobicContact CG2-SD 4.38Å; T302-M305 PolarHBondContact O-N 3.47Å
303L87.1Confident82.8Confident130 Ų130103.7 Ų103.768%0.68151%0.512SS*.G310 helixtrans-68.9-16.4176-61.9179.6000112.8F300 P301F300-L303 HydrophobicContact CB-CD1 3.74Å; F300-L303 HydrophobicContact CB-CG 4.1Å; F300-L303 HydrophobicContact CG-CD1 4.37Å; F300-L303 PolarHBondContact O-N 3.47Å; F300-L303 VanDerWaalsContact O-N 3.12Å; P301-L303 VanDerWaalsContact C-N 3.25Å; P301-L303 PolarHBondContact O-N 2.85Å
304F84.2Confident82.4Confident89 Ų89105.7 Ų105.739%0.3952%0.52SS..G310 helixtrans-116.615.3-175.5-55.9-88.7000112.8A297 F300 P301 T302 P318A297-F304 VanDerWaalsContact CA-CE2 3.47Å; A297-F304 HydrophobicContact CB-CD2 4.14Å; A297-F304 HydrophobicContact CB-CE2 4.03Å; A297-F304 HydrophobicContact CB-CG 4.48Å; A297-F304 HydrophobicContact CB-CZ 4.23Å; F300-F304 WeakPolarHBondContact O-CD2 3.43Å; P301-F304 PolarHBondContact O-N 3.18Å; T302-F304 PolarHBondContact O-N 3.24Å; F304-P318 HydrophobicContact CB-CG 3.84Å; F304-P318 HydrophobicContact CD2-CG 4.43Å; F304-P318 HydrophobicContact CG-CG 4.4Å
305M74.6Confident82.2Confident134 Ų134105.8 Ų105.866%0.6654%0.539SS*.  trans-86.9-8.8-177.7-84.9-175.149.500114.8P301 T302 D307P301-M305 WeakPolarHBondContact O-CG 3.46Å; P301-M305 PolarHBondContact O-N 3.12Å; T302-M305 HydrophobicContact CG2-SD 4.38Å; T302-M305 PolarHBondContact O-N 3.47Å; M305-D307 PolarHBondContact O-N 2.83Å; M305-D307 VanDerWaalsContact O-N 3.15Å
306L76Confident82.1Confident133 Ų133106.6 Ų106.670%0.69655%0.545SS*.  trans-76102.9-179-158.677.7000109.7H308L306-H308 WeakPolarHBondContact CD2-NE2 3.39Å
307D71.5Confident81.7Confident69 Ų69102.9 Ų102.937%0.36953%0.528SS..  trans-90.2107.2-178.2-72.8-5.3000110.6M305 R312 R317M305-D307 PolarHBondContact O-N 2.83Å; M305-D307 VanDerWaalsContact O-N 3.15Å; D307-R312 IonicContact OD2-CZ 3.1Å; D307-R312 IonicContact OD2-NE 2.76Å; D307-R312 PolarHBondContact OD2-NE 3.06Å; D307-R312 IonicContact OD2-NH2 2.89Å; D307-R317 VanDerWaalsContact CG-NH2 3.33Å; D307-R317 IonicContact OD1-CZ 2.75Å; D307-R317 IonicContact OD1-NE 3.48Å; D307-R317 PolarHBondContact OD1-NE 2.73Å; D307-R317 IonicContact OD1-NH2 3.61Å; D307-R317 PolarHBondContact OD1-NH2 3.12Å
308H80.9Confident81.3Confident155 Ų155103.4 Ų103.472%0.71853%0.53SS*.  trans-109.3-14.9172.4-71.7-57.2000113.5L306L306-H308 WeakPolarHBondContact CD2-NE2 3.39Å
309D81.5Confident80.7Confident54 Ų54104.9 Ų104.929%0.28954%0.536SS..  trans-82.7117.5-17730.8-52.2000112P311 R312 R317D309-P311 CarbonylContact O-C 3.5Å; D309-P311 VanDerWaalsContact O-C 3.28Å; D309-R312 WeakPolarHBondContact O-CA 3.38Å; D309-R312 PolarHBondContact O-N 2.89Å; D309-R317 IonicContact OD1-CZ 3.62Å; D309-R317 IonicContact OD1-NH1 3.52Å; D309-R317 IonicContact OD1-NH2 2.77Å; D309-R317 PolarHBondContact OD1-NH2 2.92Å; D309-R317 IonicContact OD2-CZ 2.67Å; D309-R317 IonicContact OD2-NH1 3.82Å; D309-R317 PolarHBondContact OD2-NH1 3.47Å; D309-R317 IonicContact OD2-NH2 3.15Å; D309-R317 PolarHBondContact OD2-NH2 3.46Å
310E84.2Confident79.4Confident194 Ų194110.1 Ų110.191%0.90756%0.557SS**SBendtrans-112.4119.5166.4-78.6-164.9166.300110.7
311P84.9Confident77.8Confident114 Ų114107.6 Ų107.674%0.7455%0.548SS*.SBendcis-75.1148.80.832-34.9000112.3D309 I313D309-P311 CarbonylContact O-C 3.5Å; D309-P311 VanDerWaalsContact O-C 3.28Å; P311-I313 WeakPolarHBondContact O-CG1 3.47Å; P311-I313 PolarHBondContact O-N 3.22Å
312R82.5Confident76.3Confident159 Ų159111.1 Ų111.160%0.657%0.572SS**  trans-54.5131175.9-172.7179.7-171.1-125.3-1.8111.1D307 D309 P314D307-R312 IonicContact OD2-CZ 3.1Å; D307-R312 IonicContact OD2-NE 2.76Å; D307-R312 PolarHBondContact OD2-NE 3.06Å; D307-R312 IonicContact OD2-NH2 2.89Å; D309-R312 WeakPolarHBondContact O-CA 3.38Å; D309-R312 PolarHBondContact O-N 2.89Å; R312-P314 WeakPolarHBondContact O-CD 3.42Å
313I84.3Confident74.8Confident67 Ų67109 Ų10934%0.34456%0.558SS.*  trans-106.1101.6-176.7-52.4179.3000110.6P311 A315 F316P311-I313 WeakPolarHBondContact O-CG1 3.47Å; P311-I313 PolarHBondContact O-N 3.22Å; I313-A315 HydrophobicContact CG2-CB 4.29Å; I313-A315 PolarHBondContact O-N 2.82Å; I313-A315 VanDerWaalsContact O-N 3.15Å; I313-F316 HydrophobicContact CB-CD2 4.08Å; I313-F316 HydrophobicContact CD1-CD2 4.09Å; I313-F316 HydrophobicContact CD1-CE2 3.91Å; I313-F316 HydrophobicContact CG2-CD2 3.91Å; I313-F316 HydrophobicContact CG2-CE2 4.17Å; I313-F316 HydrophobicContact CG2-CG 4.18Å; I313-F316 PolarHBondContact O-N 3.33Å
314P80.1Confident73.2Confident101 Ų101105.4 Ų105.466%0.65655%0.548SS*.G310 helixtrans-60.8-29-176.1-24.234.8000114R312 F316 R317R312-P314 WeakPolarHBondContact O-CD 3.42Å; P314-F316 PolarHBondContact O-N 3.44Å; P314-R317 PolarHBondContact O-N 2.88Å
315A80.1Confident72.2Confident83 Ų83107.5 Ų107.569%0.68656%0.559SS**G310 helixtrans-65.8-21.1-178.100000114.2I313I313-A315 HydrophobicContact CG2-CB 4.29Å; I313-A315 PolarHBondContact O-N 2.82Å; I313-A315 VanDerWaalsContact O-N 3.15Å
316F80.9Confident71.8Confident150 Ų150108 Ų10866%0.65856%0.559SS**G310 helixtrans-97.20.2179.1-64.1-21.8000113.6I313 P314I313-F316 HydrophobicContact CB-CD2 4.08Å; I313-F316 HydrophobicContact CD1-CD2 4.09Å; I313-F316 HydrophobicContact CD1-CE2 3.91Å; I313-F316 HydrophobicContact CG2-CD2 3.91Å; I313-F316 HydrophobicContact CG2-CE2 4.17Å; I313-F316 HydrophobicContact CG2-CG 4.18Å; I313-F316 PolarHBondContact O-N 3.33Å; P314-F316 PolarHBondContact O-N 3.44Å
317R78.8Confident71.8Confident38 Ų38102.2 Ų102.214%0.14353%0.531CS..SBendtrans-95.5147.5178.1-59.8-51.1-174.6-91.25.3111D307 D309 P314 K319D307-R317 VanDerWaalsContact CG-NH2 3.33Å; D307-R317 IonicContact OD1-CZ 2.75Å; D307-R317 IonicContact OD1-NE 3.48Å; D307-R317 PolarHBondContact OD1-NE 2.73Å; D307-R317 IonicContact OD1-NH2 3.61Å; D307-R317 PolarHBondContact OD1-NH2 3.12Å; D309-R317 IonicContact OD1-CZ 3.62Å; D309-R317 IonicContact OD1-NH1 3.52Å; D309-R317 IonicContact OD1-NH2 2.77Å; D309-R317 PolarHBondContact OD1-NH2 2.92Å; D309-R317 IonicContact OD2-CZ 2.67Å; D309-R317 IonicContact OD2-NH1 3.82Å; D309-R317 PolarHBondContact OD2-NH1 3.47Å; D309-R317 IonicContact OD2-NH2 3.15Å; D309-R317 PolarHBondContact OD2-NH2 3.46Å; P314-R317 PolarHBondContact O-N 2.88Å; R317-K319 PolarHBondContact O-N 3.11Å; R317-K319 VanDerWaalsContact O-N 3.16Å
318P76.4Confident72.5Confident29 Ų29101.4 Ų101.419%0.18853%0.525CS..  trans-51.8124.8170.6-23.231.4000109.9A297 P301 F304 K320A297-P318 HydrophobicContact CB-CG 4.39Å; A297-P318 VanDerWaalsContact O-CB 3.31Å; A297-P318 WeakPolarHBondContact O-CB 3.38Å; A297-P318 VanDerWaalsContact O-CG 3.3Å; A297-P318 WeakPolarHBondContact O-CG 3.49Å; P301-P318 HydrophobicContact CB-CB 3.85Å; P301-P318 HydrophobicContact CB-CG 3.89Å; F304-P318 HydrophobicContact CB-CG 3.84Å; F304-P318 HydrophobicContact CD2-CG 4.43Å; F304-P318 HydrophobicContact CG-CG 4.4Å; P318-K320 PolarHBondContact O-N 3.38Å
319K67.8Low72.8Confident142 Ų14296.5 Ų96.562%0.61751%0.506SS*.  trans-68.4105.4170.6-68.9-179.2-179.5174.60106.8R317 L321R317-K319 PolarHBondContact O-N 3.11Å; R317-K319 VanDerWaalsContact O-N 3.16Å; K319-L321 PolarHBondContact O-N 3.4Å; K319-L321 VanDerWaalsContact O-N 3.16Å
320K56.3Low73.2Confident202 Ų20297 Ų9788%0.87851%0.507SS*.  trans-49.5121.5174.7-86.2-174.2174.4-1770109.2P318P318-K320 PolarHBondContact O-N 3.38Å
321L53.9Low73.5Confident54 Ų5492.9 Ų92.928%0.28350%0.495SS..  trans-176.9125.7156.9-92.9144.5000108.2K298 K319 V323K298-L321 VanDerWaalsContact CE-O 3.31Å; K298-L321 WeakPolarHBondContact CE-O 3.22Å; K319-L321 PolarHBondContact O-N 3.4Å; K319-L321 VanDerWaalsContact O-N 3.16Å; L321-V323 HydrophobicContact CD2-CB 3.96Å; L321-V323 HydrophobicContact CD2-CG2 3.27Å; L321-V323 VanDerWaalsContact CD2-N 3.32Å; L321-V323 HydrophobicContact CG-CG2 4.21Å
322P51.7Low73.6Confident131 Ų13189.7 Ų89.785%0.85147%0.472SS*.  -111.6127.968.633.5-30.1000111.3
323V53.1Low74.1Confident60 Ų6082.1 Ų82.136%0.36444%0.443SS..  trans-78.7131.1162.5-168.30000104L321 E325 R336L321-V323 HydrophobicContact CD2-CB 3.96Å; L321-V323 HydrophobicContact CD2-CG2 3.27Å; L321-V323 VanDerWaalsContact CD2-N 3.32Å; L321-V323 HydrophobicContact CG-CG2 4.21Å; V323-E325 PolarHBondContact O-N 2.9Å; V323-R336 VanDerWaalsContact CG1-CZ 3.41Å
324A54.8Low74.5Confident56 Ų5681 Ų8146%0.46344%0.437SS..  trans-44.2127.517500000109.6E326A324-E326 HydrophobicContact CB-CB 4.16Å; A324-E326 HydrophobicContact CB-CG 4.16Å; A324-E326 PolarHBondContact O-N 3.43Å
325E62.2Low75Confident133 Ų13378.5 Ų78.562%0.62142%0.418SS*.THydrogen-bonded Turntrans-62.8-0.9172.2-66.2-17916800111.7V323 G327 N351V323-E325 PolarHBondContact O-N 2.9Å; E325-G327 VanDerWaalsContact C-N 3.3Å; E325-G327 PolarHBondContact O-N 3.42Å; E325-N351 PolarHBondContact O-ND2 3.32Å
326E66.1Low75.4Confident145 Ų14574.9 Ų74.968%0.67839%0.387SS*.THydrogen-bonded Turntrans-77.1-5.6-175.7-58.9-174.2176.200115.1A324A324-E326 HydrophobicContact CB-CB 4.16Å; A324-E326 HydrophobicContact CB-CG 4.16Å; A324-E326 PolarHBondContact O-N 3.43Å
327G76.9Confident75.9Confident10 Ų1068.8 Ų68.810%0.10336%0.361CS..  trans-58.7145.4174.100000111.6E325 D332 V348E325-G327 VanDerWaalsContact C-N 3.3Å; E325-G327 PolarHBondContact O-N 3.42Å; G327-D332 WeakPolarHBondContact CA-OD2 3.49Å; G327-V348 WeakPolarHBondContact O-CA 3.37Å
328H84.7Confident76.5Confident52 Ų5276.2 Ų76.224%0.24139%0.389CS..  trans-146.35.8-179.659.2-74.6000112.9D332 N351 A352 R355 E357H328-D332 PolarHBondContact N-OD2 2.92Å; H328-N351 HydrophobicContact CB-CB 4.42Å; H328-A352 HydrophobicContact CB-CB 4.37Å; H328-A352 WeakPolarHBondContact O-CB 3.49Å; H328-R355 PolarHBondContact CE1-NH1 3.02Å; H328-R355 VanDerWaalsContact CE1-NH1 3.26Å; H328-R355 PolarHBondContact ND1-NH1 3.42Å; H328-R355 VanDerWaalsContact ND1-NH1 3.2Å; H328-E357 IonicContact CD2-OE2 2.6Å; H328-E357 PolarHBondContact CD2-OE2 3.24Å; H328-E357 IonicContact NE2-OE2 3.48Å; H328-E357 PolarHBondContact NE2-OE2 3.13Å
329T88.2Confident76.9Confident53 Ų5379.8 Ų79.833%0.32540%0.402SS..SBendtrans-99.2160.9-178.966.60000112T331 D332 M333T329-T331 VanDerWaalsContact C-N 3.27Å; T329-T331 PolarHBondContact O-N 3.27Å; T329-T331 PolarHBondContact OG1-OG1 3.09Å; T329-D332 PolarHBondContact N-OD2 3.17Å; T329-D332 WeakPolarHBondContact O-CB 3.3Å; T329-D332 PolarHBondContact O-N 3.49Å; T329-D332 PolarHBondContact OG1-N 3.02Å; T329-D332 PolarHBondContact OG1-OD2 3.26Å; T329-M333 PolarHBondContact O-N 3.38Å; T329-M333 VanDerWaalsContact O-N 3.13Å
330E89.7Confident77.9Confident63 Ų6376.9 Ų76.929%0.29439%0.392SS..Hα-helixtrans-58.4-38.6175.6-177.5172.4170.300112.6D332 M333 M334 F360 S361 S364E330-D332 VanDerWaalsContact C-N 3.35Å; E330-D332 PolarHBondContact O-N 2.7Å; E330-M333 PolarHBondContact O-N 3.15Å; E330-M334 HydrophobicContact CG-CG 4.49Å; E330-M334 WeakPolarHBondContact O-CG 3.39Å; E330-M334 PolarHBondContact O-N 2.89Å; E330-F360 HydrophobicContact CB-CD1 3.97Å; E330-F360 HydrophobicContact CB-CE1 4.46Å; E330-F360 HydrophobicContact CG-CD1 4.35Å; E330-S361 VanDerWaalsContact OE1-CB 3.26Å; E330-S361 WeakPolarHBondContact OE1-CB 3.32Å; E330-S361 PolarHBondContact OE1-OG 3.01Å; E330-S361 PolarHBondContact OE2-N 2.72Å; E330-S364 VanDerWaalsContact CD-OG 3.3Å; E330-S364 WeakPolarHBondContact CG-OG 3.21Å; E330-S364 WeakPolarHBondContact OE1-CB 3.5Å; E330-S364 PolarHBondContact OE1-OG 3.35Å
331T89.7Confident79.4Confident108 Ų10868.6 Ų68.666%0.66336%0.357SS*.Hα-helixtrans-65.1-38.8177.844.30000111.9T329 D335T329-T331 VanDerWaalsContact C-N 3.27Å; T329-T331 PolarHBondContact O-N 3.27Å; T329-T331 PolarHBondContact OG1-OG1 3.09Å; T331-D335 WeakPolarHBondContact O-CB 3.32Å; T331-D335 PolarHBondContact O-N 3.4Å
332D88.6Confident81.3Confident48 Ų4866 Ų6626%0.25734%0.343SS..Hα-helixtrans-61.6-46.4173.8-65.3-42.4000111.1G327 H328 T329 E330 D335 R336 V348G327-D332 WeakPolarHBondContact CA-OD2 3.49Å; H328-D332 PolarHBondContact N-OD2 2.92Å; T329-D332 PolarHBondContact N-OD2 3.17Å; T329-D332 WeakPolarHBondContact O-CB 3.3Å; T329-D332 PolarHBondContact O-N 3.49Å; T329-D332 PolarHBondContact OG1-N 3.02Å; T329-D332 PolarHBondContact OG1-OD2 3.26Å; E330-D332 VanDerWaalsContact C-N 3.35Å; E330-D332 PolarHBondContact O-N 2.7Å; D332-D335 PolarHBondContact O-N 3.15Å; D332-R336 WeakPolarHBondContact O-CG 3.39Å; D332-R336 PolarHBondContact O-N 2.95Å; D332-V348 HydrophobicContact CB-CG1 4.03Å; D332-V348 HydrophobicContact CB-CG2 4.38Å
333M91.1Very high83.2Confident0 Ų064.2 Ų64.20%032%0.323CS..Hα-helixtrans-63-47.6-179.1-171.4174.170.300111.3T329 E330 D335 R336 I337 V348 F360 S364 L368T329-M333 PolarHBondContact O-N 3.38Å; T329-M333 VanDerWaalsContact O-N 3.13Å; E330-M333 PolarHBondContact O-N 3.15Å; M333-D335 VanDerWaalsContact C-N 3.33Å; M333-D335 PolarHBondContact O-N 2.93Å; M333-R336 WeakPolarHBondContact O-CB 3.5Å; M333-R336 PolarHBondContact O-N 3.42Å; M333-R336 VanDerWaalsContact O-N 3.14Å; M333-I337 HydrophobicContact CG-CD1 3.97Å; M333-I337 WeakPolarHBondContact O-CG1 3.09Å; M333-I337 PolarHBondContact O-N 3.12Å; M333-V348 HydrophobicContact CB-CG1 3.86Å; M333-F360 HydrophobicContact CB-CE1 4.3Å; M333-F360 HydrophobicContact CE-CB 4.49Å; M333-F360 HydrophobicContact CE-CD1 3.64Å; M333-F360 HydrophobicContact CE-CE1 3.99Å; M333-F360 HydrophobicContact CE-CG 4.07Å; M333-F360 HydrophobicContact SD-CD1 4.22Å; M333-F360 HydrophobicContact SD-CE1 3.99Å; M333-F360 HydrophobicContact SD-CZ 4.23Å; M333-S364 WeakPolarHBondContact CE-O 3.49Å; M333-L368 HydrophobicContact SD-CB 4.28Å; M333-L368 HydrophobicContact SD-CD2 3.81Å; M333-L368 HydrophobicContact SD-CG 4.44Å
334M93.5Very high84.9Confident43 Ų4362.1 Ų62.121%0.21231%0.313CS..Hα-helixtrans-66.6-32.6-179.9-72.3-60.8-78.100113E330 I337 R338 S364 A367E330-M334 HydrophobicContact CG-CG 4.49Å; E330-M334 WeakPolarHBondContact O-CG 3.39Å; E330-M334 PolarHBondContact O-N 2.89Å; M334-I337 PolarHBondContact O-N 3.44Å; M334-I337 HydrophobicContact SD-CD1 3.84Å; M334-R338 VanDerWaalsContact O-CG 3.31Å; M334-R338 WeakPolarHBondContact O-CG 3.17Å; M334-R338 PolarHBondContact O-N 3.4Å; M334-S364 WeakPolarHBondContact CG-OG 3.3Å; M334-S364 PolarHBondContact SD-OG 2.9Å; M334-A367 HydrophobicContact CE-CB 4.41Å; M334-A367 HydrophobicContact SD-CB 4.14Å
335D89.8Confident86.7Confident49 Ų4959.5 Ų59.526%0.26229%0.29SS..Hα-helixtrans-62-43171.2178.371.7000111.7T331 D332 M333 K339T331-D335 WeakPolarHBondContact O-CB 3.32Å; T331-D335 PolarHBondContact O-N 3.4Å; D332-D335 PolarHBondContact O-N 3.15Å; M333-D335 VanDerWaalsContact C-N 3.33Å; M333-D335 PolarHBondContact O-N 2.93Å; D335-K339 WeakPolarHBondContact O-CG 3.5Å; D335-K339 PolarHBondContact O-N 3.42Å; D335-K339 WeakPolarHBondContact OD1-CE 3.44Å; D335-K339 IonicContact OD1-NZ 3.06Å; D335-K339 PolarHBondContact OD1-NZ 2.89Å; D335-K339 IonicContact OD2-NZ 3.89Å; D335-K339 PolarHBondContact OD2-NZ 3.46Å
336R89Confident88.1Confident6 Ų653.9 Ų53.92%0.02327%0.265CS..Hα-helixtrans-66.1-41176.2-63.7-56.3-178.3-79.1-28.7112.5V323 D332 M333 K339 L340 Q341 A344 A345V323-R336 VanDerWaalsContact CG1-CZ 3.41Å; D332-R336 WeakPolarHBondContact O-CG 3.39Å; D332-R336 PolarHBondContact O-N 2.95Å; M333-R336 WeakPolarHBondContact O-CB 3.5Å; M333-R336 PolarHBondContact O-N 3.42Å; M333-R336 VanDerWaalsContact O-N 3.14Å; R336-K339 CarbonylContact O-C 3.16Å; R336-K339 PolarHBondContact O-N 3.37Å; R336-L340 PolarHBondContact O-N 3.48Å; R336-L340 VanDerWaalsContact O-N 3.15Å; R336-Q341 HydrophobicContact CB-CB 4.21Å; R336-Q341 PolarHBondContact O-N 3.18Å; R336-A344 HydrophobicContact CG-CB 4.03Å; R336-A345 HydrophobicContact CB-CB 3.84Å
337I92.1Very high89.3Confident22 Ų2247.9 Ų47.911%0.11324%0.24CC..Hα-helixtrans-61.4-48.2177.4-68.4165.5000110.7M333 M334 K339 L340 A345 A367 L368 L371M333-I337 HydrophobicContact CG-CD1 3.97Å; M333-I337 WeakPolarHBondContact O-CG1 3.09Å; M333-I337 PolarHBondContact O-N 3.12Å; M334-I337 PolarHBondContact O-N 3.44Å; M334-I337 HydrophobicContact SD-CD1 3.84Å; I337-K339 PolarHBondContact O-N 2.87Å; I337-K339 VanDerWaalsContact O-N 3.16Å; I337-L340 PolarHBondContact O-N 2.54Å; I337-A345 HydrophobicContact CG1-CB 4.18Å; I337-A367 HydrophobicContact CD1-CB 4.12Å; I337-A367 HydrophobicContact CG2-CB 4.38Å; I337-L368 HydrophobicContact CD1-CB 4.07Å; I337-L371 HydrophobicContact CB-CD2 4.35Å; I337-L371 HydrophobicContact CG1-CD2 3.94Å; I337-L371 HydrophobicContact CG2-CD2 4.41Å
338R90.6Very high90Very high195 Ų19547.4 Ų47.474%0.73624%0.235SC*.Hα-helixtrans-60-27.5177.7-72.3175.2-168.1146.33.7113.3M334M334-R338 VanDerWaalsContact O-CG 3.31Å; M334-R338 WeakPolarHBondContact O-CG 3.17Å; M334-R338 PolarHBondContact O-N 3.4Å
339K85.1Confident90.4Very high104 Ų10445.5 Ų45.545%0.45223%0.226SC..THydrogen-bonded Turntrans-92.45.3177.4-68.3171.2-177.7162.70113.3D335 R336 I337 Q341D335-K339 WeakPolarHBondContact O-CG 3.5Å; D335-K339 PolarHBondContact O-N 3.42Å; D335-K339 WeakPolarHBondContact OD1-CE 3.44Å; D335-K339 IonicContact OD1-NZ 3.06Å; D335-K339 PolarHBondContact OD1-NZ 2.89Å; D335-K339 IonicContact OD2-NZ 3.89Å; D335-K339 PolarHBondContact OD2-NZ 3.46Å; R336-K339 CarbonylContact O-C 3.16Å; R336-K339 PolarHBondContact O-N 3.37Å; I337-K339 PolarHBondContact O-N 2.87Å; I337-K339 VanDerWaalsContact O-N 3.16Å; K339-Q341 HydrophobicContact CB-CG 3.75Å; K339-Q341 WeakPolarHBondContact O-CG 2.94Å; K339-Q341 PolarHBondContact O-N 3.43Å
340L88.9Confident90.5Very high81 Ų8146.3 Ų46.342%0.42423%0.226SC..THydrogen-bonded Turntrans54.937.3-176.9-57.4173.8000113.2R336 I337 V342 L371 Y375 Q379 P380R336-L340 PolarHBondContact O-N 3.48Å; R336-L340 VanDerWaalsContact O-N 3.15Å; I337-L340 PolarHBondContact O-N 2.54Å; L340-V342 PolarHBondContact O-N 3.15Å; L340-L371 HydrophobicContact CD2-CD1 3.83Å; L340-Y375 HydrophobicContact CD2-CE2 4.34Å; L340-Q379 PolarHBondContact O-NE2 2.89Å; L340-P380 HydrophobicContact CB-CG 4.48Å
341Q88.6Confident90.5Very high28 Ų2845.1 Ų45.113%0.13122%0.221CC..  trans-95.878.7-179.8-54.8-169.5-72.400110.4R336 K339 A344 A345R336-Q341 HydrophobicContact CB-CB 4.21Å; R336-Q341 PolarHBondContact O-N 3.18Å; K339-Q341 HydrophobicContact CB-CG 3.75Å; K339-Q341 WeakPolarHBondContact O-CG 2.94Å; K339-Q341 PolarHBondContact O-N 3.43Å; Q341-A344 HydrophobicContact CB-CB 4Å; Q341-A344 PolarHBondContact O-N 3.26Å; Q341-A345 WeakPolarHBondContact O-CB 3.47Å; Q341-A345 PolarHBondContact O-N 2.93Å
342V92.3Very high90.4Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-57.2-54.4-172.8-175.70000111.6L340 A344 A345 I346 L371 Y375 E378L340-V342 PolarHBondContact O-N 3.15Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 3.17Å; V342-A345 PolarHBondContact O-N 3.03Å; V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 VanDerWaalsContact O-CG1 3.28Å; V342-I346 WeakPolarHBondContact O-CG1 3.31Å; V342-I346 PolarHBondContact O-N 3.1Å; V342-L371 HydrophobicContact CG2-CD1 4.11Å; V342-L371 HydrophobicContact CG2-CD2 4.21Å; V342-L371 HydrophobicContact CG2-CG 3.99Å; V342-Y375 HydrophobicContact CG2-CD2 3.86Å; V342-Y375 HydrophobicContact CG2-CG 4.26Å; V342-E378 WeakPolarHBondContact CG2-O 3.02Å
343H92Very high90.4Very high92 Ų9241.7 Ų41.743%0.42620%0.198SC..Hα-helixtrans-62.9-40.7-178.1-62.4160.5000112.3I346 A347 A377 Q379H343-I346 PolarHBondContact O-N 3.41Å; H343-A347 WeakPolarHBondContact O-CB 3.19Å; H343-A347 PolarHBondContact O-N 3.47Å; H343-A377 PolarHBondContact NE2-O 3.15Å; H343-Q379 VanDerWaalsContact CE1-CB 3.44Å; H343-Q379 WeakPolarHBondContact CE1-CB 3.21Å; H343-Q379 PolarHBondContact NE2-N 3.48Å
344A89.1Confident90.1Very high17 Ų1748.9 Ų48.914%0.1423%0.229CC..Hα-helixtrans-68.9-38.7179.300000112R336 Q341 V342 I346 A347 V348R336-A344 HydrophobicContact CG-CB 4.03Å; Q341-A344 HydrophobicContact CB-CB 4Å; Q341-A344 PolarHBondContact O-N 3.26Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 3.17Å; A344-I346 VanDerWaalsContact C-N 3.35Å; A344-A347 PolarHBondContact O-N 2.85Å; A344-V348 VanDerWaalsContact O-CG2 3.31Å; A344-V348 WeakPolarHBondContact O-CG2 3.21Å; A344-V348 PolarHBondContact O-N 3.49Å
345A92.2Very high89.7Confident0 Ų053 Ų530%024%0.243CC..Hα-helixtrans-63.6-41.4175.100000111.5R336 I337 Q341 V342 V348 Y349 L368 L371R336-A345 HydrophobicContact CB-CB 3.84Å; I337-A345 HydrophobicContact CG1-CB 4.18Å; Q341-A345 WeakPolarHBondContact O-CB 3.47Å; Q341-A345 PolarHBondContact O-N 2.93Å; V342-A345 PolarHBondContact O-N 3.03Å; A345-V348 PolarHBondContact O-N 2.95Å; A345-Y349 PolarHBondContact O-N 3.36Å; A345-Y349 VanDerWaalsContact O-N 3.11Å; A345-L368 HydrophobicContact CB-CD1 3.83Å; A345-L371 HydrophobicContact CB-CD2 4.32Å
346I93.2Very high89.1Confident16 Ų1658.2 Ų58.28%0.08227%0.27CS..Hα-helixtrans-62-46.3174.1-66.6169.1000110.8V342 H343 A344 V348 Y349 E350 V372 A377 V408V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 VanDerWaalsContact O-CG1 3.28Å; V342-I346 WeakPolarHBondContact O-CG1 3.31Å; V342-I346 PolarHBondContact O-N 3.1Å; H343-I346 PolarHBondContact O-N 3.41Å; A344-I346 VanDerWaalsContact C-N 3.35Å; I346-V348 PolarHBondContact O-N 3.43Å; I346-Y349 WeakPolarHBondContact O-CB 3.36Å; I346-Y349 PolarHBondContact O-N 3.39Å; I346-E350 HydrophobicContact CG2-CG 4.28Å; I346-E350 WeakPolarHBondContact O-CG 3.46Å; I346-E350 PolarHBondContact O-N 3.09Å; I346-V372 HydrophobicContact CD1-CG2 4.07Å; I346-V372 HydrophobicContact CG1-CG2 3.9Å; I346-A377 HydrophobicContact CD1-CB 4.02Å; I346-V408 HydrophobicContact CD1-CG1 4.25Å; I346-V408 HydrophobicContact CG1-CG1 4.05Å; I346-V408 HydrophobicContact CG2-CG1 3.95Å; I346-V408 HydrophobicContact CG2-CG2 4.12Å
347A91.1Very high88.4Confident18 Ų1862.8 Ų62.815%0.14929%0.292CS..Hα-helixtrans-59-43.5177.500000112.4H343 A344 Y349 E350 N351H343-A347 WeakPolarHBondContact O-CB 3.19Å; H343-A347 PolarHBondContact O-N 3.47Å; A344-A347 PolarHBondContact O-N 2.85Å; A347-Y349 PolarHBondContact O-N 3.27Å; A347-E350 PolarHBondContact O-N 3.38Å; A347-N351 VanDerWaalsContact O-CB 3.31Å; A347-N351 WeakPolarHBondContact O-CB 3.44Å; A347-N351 PolarHBondContact O-N 2.78Å; A347-N351 PolarHBondContact O-ND2 3.35Å
348V90.6Very high87.2Confident0 Ų064.2 Ų64.20%031%0.307CS..Hα-helixtrans-60-45.7176.2171.40000111.2G327 D332 M333 A344 A345 I346 N351 A352G327-V348 WeakPolarHBondContact O-CA 3.37Å; D332-V348 HydrophobicContact CB-CG1 4.03Å; D332-V348 HydrophobicContact CB-CG2 4.38Å; M333-V348 HydrophobicContact CB-CG1 3.86Å; A344-V348 VanDerWaalsContact O-CG2 3.31Å; A344-V348 WeakPolarHBondContact O-CG2 3.21Å; A344-V348 PolarHBondContact O-N 3.49Å; A345-V348 PolarHBondContact O-N 2.95Å; I346-V348 PolarHBondContact O-N 3.43Å; V348-N351 PolarHBondContact O-N 3.06Å; V348-A352 PolarHBondContact O-N 3.49Å
349Y92.2Very high86.6Confident13 Ų1363.4 Ų63.45%0.05131%0.312CS..Hα-helixtrans-61.6-47.3176.6171-103.4000112.3A345 I346 A347 N351 A352 I353 F360 L365 L368 V412 S415A345-Y349 PolarHBondContact O-N 3.36Å; A345-Y349 VanDerWaalsContact O-N 3.11Å; I346-Y349 WeakPolarHBondContact O-CB 3.36Å; I346-Y349 PolarHBondContact O-N 3.39Å; A347-Y349 PolarHBondContact O-N 3.27Å; Y349-N351 VanDerWaalsContact C-N 3.31Å; Y349-N351 PolarHBondContact O-N 3.09Å; Y349-A352 PolarHBondContact O-N 3.49Å; Y349-I353 HydrophobicContact CD1-CD1 4.05Å; Y349-I353 HydrophobicContact CD2-CD1 4.32Å; Y349-I353 HydrophobicContact CE1-CD1 3.45Å; Y349-I353 VanDerWaalsContact CE1-CD1 3.45Å; Y349-I353 HydrophobicContact CE2-CD1 3.76Å; Y349-I353 HydrophobicContact CE2-CG1 4.47Å; Y349-I353 HydrophobicContact CG-CD1 4.46Å; Y349-I353 WeakPolarHBondContact O-CG1 3.45Å; Y349-I353 PolarHBondContact O-N 3.31Å; Y349-I353 VanDerWaalsContact O-N 3.15Å; Y349-I353 WeakPolarHBondContact OH-CD1 3.27Å; Y349-F360 HydrophobicContact CD2-CD2 4.12Å; Y349-F360 AromaticContact CD2-CE2 3.77Å; Y349-F360 HydrophobicContact CD2-CE2 3.77Å; Y349-F360 HydrophobicContact CE2-CD2 4.49Å; Y349-F360 HydrophobicContact CE2-CE2 4.45Å; Y349-L365 HydrophobicContact CD2-CD2 4.11Å; Y349-L365 HydrophobicContact CE2-CD2 3.7Å; Y349-L368 HydrophobicContact CD1-CD2 4.21Å; Y349-L368 HydrophobicContact CD2-CD2 3.81Å; Y349-L368 HydrophobicContact CE2-CD2 4.48Å; Y349-L368 HydrophobicContact CG-CD2 3.65Å; Y349-V412 HydrophobicContact CD1-CG2 4.1Å; Y349-V412 HydrophobicContact CE1-CG2 3.64Å; Y349-V412 HydrophobicContact CE2-CG2 4.49Å; Y349-S415 WeakPolarHBondContact OH-CB 3.24Å; Y349-S415 PolarHBondContact OH-OG 2.83Å
350E91.4Very high86.7Confident69 Ų6959.8 Ų59.832%0.32230%0.296SS..Hα-helixtrans-64.7-35178.1-71.8-171.5169.600112.6I346 A347 K354I346-E350 HydrophobicContact CG2-CG 4.28Å; I346-E350 WeakPolarHBondContact O-CG 3.46Å; I346-E350 PolarHBondContact O-N 3.09Å; A347-E350 PolarHBondContact O-N 3.38Å; E350-K354 WeakPolarHBondContact O-CB 3.32Å; E350-K354 VanDerWaalsContact O-CG 3.28Å; E350-K354 WeakPolarHBondContact O-CG 3.21Å; E350-K354 PolarHBondContact O-N 3.13Å
351N88.9Confident86.8Confident39 Ų3958 Ų5821%0.20929%0.29CS..Hα-helixtrans-68.1-42.6177.2-74.7-19.2000112.1E325 H328 A347 V348 Y349 I353 K354 R355E325-N351 PolarHBondContact O-ND2 3.32Å; H328-N351 HydrophobicContact CB-CB 4.42Å; A347-N351 VanDerWaalsContact O-CB 3.31Å; A347-N351 WeakPolarHBondContact O-CB 3.44Å; A347-N351 PolarHBondContact O-N 2.78Å; A347-N351 PolarHBondContact O-ND2 3.35Å; V348-N351 PolarHBondContact O-N 3.06Å; Y349-N351 VanDerWaalsContact C-N 3.31Å; Y349-N351 PolarHBondContact O-N 3.09Å; N351-I353 VanDerWaalsContact C-N 3.32Å; N351-I353 PolarHBondContact O-N 2.87Å; N351-K354 PolarHBondContact O-N 3.42Å; N351-R355 WeakPolarHBondContact O-CG 3.36Å; N351-R355 PolarHBondContact O-N 3.46Å
352A88.4Confident86.8Confident0 Ų059.6 Ų59.60%030%0.298CS..Hα-helixtrans-61.2-41.1175.300000112H328 V348 Y349 R355 N356 E357 A358 F360H328-A352 HydrophobicContact CB-CB 4.37Å; H328-A352 WeakPolarHBondContact O-CB 3.49Å; V348-A352 PolarHBondContact O-N 3.49Å; Y349-A352 PolarHBondContact O-N 3.49Å; A352-R355 PolarHBondContact O-N 3.05Å; A352-N356 PolarHBondContact O-N 3.47Å; A352-E357 PolarHBondContact O-N 2.96Å; A352-A358 HydrophobicContact CB-CB 4.44Å; A352-F360 HydrophobicContact CB-CE2 3.54Å; A352-F360 HydrophobicContact CB-CZ 3.37Å
353I87.8Confident86.8Confident83 Ų8364.7 Ų64.743%0.42633%0.325SS..Hα-helixtrans-63.4-47.5174.5-69.2174.5000111.1Y349 N351 R355 N356 A358Y349-I353 HydrophobicContact CD1-CD1 4.05Å; Y349-I353 HydrophobicContact CD2-CD1 4.32Å; Y349-I353 HydrophobicContact CE1-CD1 3.45Å; Y349-I353 VanDerWaalsContact CE1-CD1 3.45Å; Y349-I353 HydrophobicContact CE2-CD1 3.76Å; Y349-I353 HydrophobicContact CE2-CG1 4.47Å; Y349-I353 HydrophobicContact CG-CD1 4.46Å; Y349-I353 WeakPolarHBondContact O-CG1 3.45Å; Y349-I353 PolarHBondContact O-N 3.31Å; Y349-I353 VanDerWaalsContact O-N 3.15Å; Y349-I353 WeakPolarHBondContact OH-CD1 3.27Å; N351-I353 VanDerWaalsContact C-N 3.32Å; N351-I353 PolarHBondContact O-N 2.87Å; I353-R355 PolarHBondContact O-N 3.35Å; I353-N356 PolarHBondContact O-N 2.98Å; I353-N356 VanDerWaalsContact O-N 3.08Å; I353-A358 HydrophobicContact CG1-CB 4.3Å
354K86.6Confident86.9Confident152 Ų15260.4 Ų60.466%0.66131%0.306SS*.Hα-helixtrans-60.6-32.4179.6-76.2169.1-172.7161.90112.7E350 N351 N356E350-K354 WeakPolarHBondContact O-CB 3.32Å; E350-K354 VanDerWaalsContact O-CG 3.28Å; E350-K354 WeakPolarHBondContact O-CG 3.21Å; E350-K354 PolarHBondContact O-N 3.13Å; N351-K354 PolarHBondContact O-N 3.42Å; K354-N356 VanDerWaalsContact C-N 3.35Å
355R84.1Confident87.2Confident129 Ų12960.4 Ų60.449%0.48730%0.303SS..Hα-helixtrans-85.1-6.2178.5-68.6-179.7-178.8-162.21.5113.9H328 N351 A352 I353 E357H328-R355 PolarHBondContact CE1-NH1 3.02Å; H328-R355 VanDerWaalsContact CE1-NH1 3.26Å; H328-R355 PolarHBondContact ND1-NH1 3.42Å; H328-R355 VanDerWaalsContact ND1-NH1 3.2Å; N351-R355 WeakPolarHBondContact O-CG 3.36Å; N351-R355 PolarHBondContact O-N 3.46Å; A352-R355 PolarHBondContact O-N 3.05Å; I353-R355 PolarHBondContact O-N 3.35Å; R355-E357 HydrophobicContact CB-CB 4.31Å; R355-E357 HydrophobicContact CB-CG 4.15Å; R355-E357 PolarHBondContact O-N 3.42Å
356N77.5Confident87.3Confident158 Ų15860.8 Ų60.885%0.84531%0.305SS*.THydrogen-bonded Turntrans59.730-173.6-148.642.6000113.1A352 I353 K354A352-N356 PolarHBondContact O-N 3.47Å; I353-N356 PolarHBondContact O-N 2.98Å; I353-N356 VanDerWaalsContact O-N 3.08Å; K354-N356 VanDerWaalsContact C-N 3.35Å
357E73.5Confident87.5Confident102 Ų10260.6 Ų60.648%0.47731%0.306SS..  trans-113.624.1-178.2-69.6174160.400111.3H328 A352 R355 E359H328-E357 IonicContact CD2-OE2 2.6Å; H328-E357 PolarHBondContact CD2-OE2 3.24Å; H328-E357 IonicContact NE2-OE2 3.48Å; H328-E357 PolarHBondContact NE2-OE2 3.13Å; A352-E357 PolarHBondContact O-N 2.96Å; R355-E357 HydrophobicContact CB-CB 4.31Å; R355-E357 HydrophobicContact CB-CG 4.15Å; R355-E357 PolarHBondContact O-N 3.42Å; E357-E359 PolarHBondContact O-N 3.37Å
358A68Low87.7Confident52 Ų5259.8 Ų59.843%0.4330%0.299SS..  trans-7668.3-174.800000112.6A352 I353 F360A352-A358 HydrophobicContact CB-CB 4.44Å; I353-A358 HydrophobicContact CG1-CB 4.3Å; A358-F360 HydrophobicContact CB-CD2 4.29Å; A358-F360 HydrophobicContact CB-CE2 4.26Å; A358-F360 PolarHBondContact O-N 3.03Å
359E76.7Confident88Confident179 Ų17959.8 Ų59.884%0.83630%0.299SS*.  trans-92.471.5167.5-68.7-170171.900110.1E357E357-E359 PolarHBondContact O-N 3.37Å
360F87.5Confident88.3Confident27 Ų2762.8 Ų62.812%0.11831%0.313CS..  trans-97.1133.9173.1-61.9-62.8000110.9E330 M333 Y349 A352 A358 L365E330-F360 HydrophobicContact CB-CD1 3.97Å; E330-F360 HydrophobicContact CB-CE1 4.46Å; E330-F360 HydrophobicContact CG-CD1 4.35Å; M333-F360 HydrophobicContact CB-CE1 4.3Å; M333-F360 HydrophobicContact CE-CB 4.49Å; M333-F360 HydrophobicContact CE-CD1 3.64Å; M333-F360 HydrophobicContact CE-CE1 3.99Å; M333-F360 HydrophobicContact CE-CG 4.07Å; M333-F360 HydrophobicContact SD-CD1 4.22Å; M333-F360 HydrophobicContact SD-CE1 3.99Å; M333-F360 HydrophobicContact SD-CZ 4.23Å; Y349-F360 HydrophobicContact CD2-CD2 4.12Å; Y349-F360 AromaticContact CD2-CE2 3.77Å; Y349-F360 HydrophobicContact CD2-CE2 3.77Å; Y349-F360 HydrophobicContact CE2-CD2 4.49Å; Y349-F360 HydrophobicContact CE2-CE2 4.45Å; A352-F360 HydrophobicContact CB-CE2 3.54Å; A352-F360 HydrophobicContact CB-CZ 3.37Å; A358-F360 HydrophobicContact CB-CD2 4.29Å; A358-F360 HydrophobicContact CB-CE2 4.26Å; A358-F360 PolarHBondContact O-N 3.03Å; F360-L365 HydrophobicContact CB-CD1 4.43Å; F360-L365 HydrophobicContact CB-CD2 4Å; F360-L365 HydrophobicContact CB-CG 3.91Å; F360-L365 HydrophobicContact CD2-CD2 4.13Å; F360-L365 HydrophobicContact CG-CD2 4.34Å
361S90.7Very high88.5Confident43 Ų4360.1 Ų60.130%0.30130%0.301SS..  trans-60.9152.9167.576.90000112E330 D363 S364 L365E330-S361 VanDerWaalsContact OE1-CB 3.26Å; E330-S361 WeakPolarHBondContact OE1-CB 3.32Å; E330-S361 PolarHBondContact OE1-OG 3.01Å; E330-S361 PolarHBondContact OE2-N 2.72Å; S361-D363 PolarHBondContact O-N 2.78Å; S361-S364 PolarHBondContact O-N 2.96Å; S361-S364 WeakPolarHBondContact OG-CB 3.24Å; S361-S364 PolarHBondContact OG-N 2.49Å; S361-S364 PolarHBondContact OG-OG 2.9Å; S361-L365 PolarHBondContact O-N 3.43Å; S361-L365 VanDerWaalsContact O-N 3.09Å
362Q89.8Confident88.8Confident63 Ų6358.3 Ų58.329%0.29429%0.291SS..Hα-helixtrans-55.3-39.5173.4-85.1-116.6-24.700112S364 L365 H366 Q417 P418Q362-S364 VanDerWaalsContact C-N 3.33Å; Q362-S364 PolarHBondContact O-N 3.3Å; Q362-L365 PolarHBondContact O-N 3.13Å; Q362-H366 PolarHBondContact O-N 2.73Å; Q362-H366 PolarHBondContact O-ND1 3.15Å; Q362-H366 PolarHBondContact OE1-CE1 2.98Å; Q362-H366 VanDerWaalsContact OE1-CE1 3.3Å; Q362-Q417 PolarHBondContact NE2-O 2.78Å; Q362-P418 PolarHBondContact NE2-O 2.93Å
363D92Very high89.2Confident106 Ų10658.4 Ų58.457%0.56729%0.292SS*.Hα-helixtrans-63.6-39.9179.4-81.6-29.6000112.4S361 H366 A367 R422S361-D363 PolarHBondContact O-N 2.78Å; D363-H366 PolarHBondContact O-N 3.02Å; D363-A367 WeakPolarHBondContact O-CB 3.43Å; D363-A367 PolarHBondContact O-N 2.93Å; D363-R422 IonicContact OD1-NH1 2.66Å; D363-R422 PolarHBondContact OD1-NH1 2.76Å
364S93.4Very high89.4Confident3 Ų359.8 Ų59.82%0.02130%0.296CS..Hα-helixtrans-69-37.9177.8-720000112.2E330 M333 M334 S361 Q362 A367 L368E330-S364 VanDerWaalsContact CD-OG 3.3Å; E330-S364 WeakPolarHBondContact CG-OG 3.21Å; E330-S364 WeakPolarHBondContact OE1-CB 3.5Å; E330-S364 PolarHBondContact OE1-OG 3.35Å; M333-S364 WeakPolarHBondContact CE-O 3.49Å; M334-S364 WeakPolarHBondContact CG-OG 3.3Å; M334-S364 PolarHBondContact SD-OG 2.9Å; S361-S364 PolarHBondContact O-N 2.96Å; S361-S364 WeakPolarHBondContact OG-CB 3.24Å; S361-S364 PolarHBondContact OG-N 2.49Å; S361-S364 PolarHBondContact OG-OG 2.9Å; Q362-S364 VanDerWaalsContact C-N 3.33Å; Q362-S364 PolarHBondContact O-N 3.3Å; S364-A367 PolarHBondContact O-N 3.23Å; S364-L368 PolarHBondContact O-N 3.43Å
365L95.1Very high89.6Confident17 Ų1755.2 Ų55.29%0.08927%0.274CS..Hα-helixtrans-67-40.4172.7-69175.3000112.5Y349 F360 S361 Q362 L368 L369 I416Y349-L365 HydrophobicContact CD2-CD2 4.11Å; Y349-L365 HydrophobicContact CE2-CD2 3.7Å; F360-L365 HydrophobicContact CB-CD1 4.43Å; F360-L365 HydrophobicContact CB-CD2 4Å; F360-L365 HydrophobicContact CB-CG 3.91Å; F360-L365 HydrophobicContact CD2-CD2 4.13Å; F360-L365 HydrophobicContact CG-CD2 4.34Å; S361-L365 PolarHBondContact O-N 3.43Å; S361-L365 VanDerWaalsContact O-N 3.09Å; Q362-L365 PolarHBondContact O-N 3.13Å; L365-L368 PolarHBondContact O-N 3.48Å; L365-L369 WeakPolarHBondContact O-CB 3.38Å; L365-L369 PolarHBondContact O-N 3.42Å; L365-I416 HydrophobicContact CB-CD1 4.07Å; L365-I416 HydrophobicContact CB-CG1 3.8Å; L365-I416 HydrophobicContact CD1-CG1 4.1Å
366H95.6Very high90.1Very high7 Ų749.3 Ų49.33%0.03225%0.252CS..Hα-helixtrans-62.8-43.6174-70.7120.4000111.8Q362 D363 L368 L369 E370 T420 R422Q362-H366 PolarHBondContact O-N 2.73Å; Q362-H366 PolarHBondContact O-ND1 3.15Å; Q362-H366 PolarHBondContact OE1-CE1 2.98Å; Q362-H366 VanDerWaalsContact OE1-CE1 3.3Å; D363-H366 PolarHBondContact O-N 3.02Å; H366-L368 VanDerWaalsContact C-N 3.32Å; H366-L368 PolarHBondContact O-N 2.91Å; H366-L369 PolarHBondContact O-N 3.43Å; H366-E370 WeakPolarHBondContact O-CB 3.38Å; H366-E370 VanDerWaalsContact O-CG 3.31Å; H366-E370 WeakPolarHBondContact O-CG 3.25Å; H366-E370 PolarHBondContact O-N 3.14Å; H366-T420 PolarHBondContact NE2-OG1 3.29Å; H366-R422 HydrophobicContact CB-CG 4.31Å
367A96.1Very high90.7Very high13 Ų1342.4 Ų42.411%0.10722%0.218CC..Hα-helixtrans-62.9-38.7177.600000112M334 I337 D363 S364 L371M334-A367 HydrophobicContact CE-CB 4.41Å; M334-A367 HydrophobicContact SD-CB 4.14Å; I337-A367 HydrophobicContact CD1-CB 4.12Å; I337-A367 HydrophobicContact CG2-CB 4.38Å; D363-A367 WeakPolarHBondContact O-CB 3.43Å; D363-A367 PolarHBondContact O-N 2.93Å; S364-A367 PolarHBondContact O-N 3.23Å; A367-L371 WeakPolarHBondContact O-CB 3.32Å; A367-L371 PolarHBondContact O-N 3.31Å; A367-L371 VanDerWaalsContact O-N 3.1Å
368L96.5Very high91.5Very high0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-64.1-47.1172.6-179.465.4000111.2M333 I337 A345 Y349 S364 L365 H366 E370 L371 V372 V412M333-L368 HydrophobicContact SD-CB 4.28Å; M333-L368 HydrophobicContact SD-CD2 3.81Å; M333-L368 HydrophobicContact SD-CG 4.44Å; I337-L368 HydrophobicContact CD1-CB 4.07Å; A345-L368 HydrophobicContact CB-CD1 3.83Å; Y349-L368 HydrophobicContact CD1-CD2 4.21Å; Y349-L368 HydrophobicContact CD2-CD2 3.81Å; Y349-L368 HydrophobicContact CE2-CD2 4.48Å; Y349-L368 HydrophobicContact CG-CD2 3.65Å; S364-L368 PolarHBondContact O-N 3.43Å; L365-L368 PolarHBondContact O-N 3.48Å; H366-L368 VanDerWaalsContact C-N 3.32Å; H366-L368 PolarHBondContact O-N 2.91Å; L368-E370 PolarHBondContact O-N 3.31Å; L368-L371 PolarHBondContact O-N 2.85Å; L368-V372 HydrophobicContact CD1-CG2 3.97Å; L368-V372 HydrophobicContact CG-CG2 4.23Å; L368-V372 WeakPolarHBondContact O-CB 3.27Å; L368-V372 VanDerWaalsContact O-CG2 3.26Å; L368-V372 WeakPolarHBondContact O-CG2 3.37Å; L368-V372 PolarHBondContact O-N 2.78Å; L368-V412 HydrophobicContact CD2-CG1 4.2Å; L368-V412 HydrophobicContact CD2-CG2 3.82Å; L368-V412 HydrophobicContact CG-CG1 4.45Å; L368-V412 HydrophobicContact CG-CG2 4.36Å
369L97.2Very high92.4Very high0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-59.9-46.7179.7-177.263000111.3L365 H366 L371 V372 C373 A409 V412 F413 I416 S423 A426L365-L369 WeakPolarHBondContact O-CB 3.38Å; L365-L369 PolarHBondContact O-N 3.42Å; H366-L369 PolarHBondContact O-N 3.43Å; L369-L371 VanDerWaalsContact C-N 3.35Å; L369-L371 PolarHBondContact O-N 3.33Å; L369-V372 PolarHBondContact O-N 3.34Å; L369-C373 VanDerWaalsContact CD1-SG 3.59Å; L369-C373 VanDerWaalsContact O-CB 3.22Å; L369-C373 WeakPolarHBondContact O-CB 3.31Å; L369-C373 PolarHBondContact O-N 3.26Å; L369-C373 PolarHBondContact O-SG 3.43Å; L369-A409 HydrophobicContact CD1-CB 4.5Å; L369-A409 VanDerWaalsContact CD1-O 3.28Å; L369-A409 WeakPolarHBondContact CD1-O 3.32Å; L369-V412 HydrophobicContact CB-CG1 3.97Å; L369-V412 HydrophobicContact CD1-CB 4.29Å; L369-V412 HydrophobicContact CD1-CG1 4.34Å; L369-F413 HydrophobicContact CD1-CB 4.13Å; L369-F413 HydrophobicContact CD2-CB 4.24Å; L369-F413 HydrophobicContact CD2-CD2 4.03Å; L369-I416 HydrophobicContact CD2-CD1 4.05Å; L369-S423 WeakPolarHBondContact CD2-O 3.22Å; L369-A426 HydrophobicContact CD2-CB 4.04Å; L369-A426 HydrophobicContact CG-CB 4.02Å
370E96.7Very high92.7Very high76 Ų7635 Ų3536%0.35518%0.177SC..Hα-helixtrans-57.5-46.4176.1-74.1166.2174.300111.5H366 L368 F374 R422 A426H366-E370 WeakPolarHBondContact O-CB 3.38Å; H366-E370 VanDerWaalsContact O-CG 3.31Å; H366-E370 WeakPolarHBondContact O-CG 3.25Å; H366-E370 PolarHBondContact O-N 3.14Å; L368-E370 PolarHBondContact O-N 3.31Å; E370-F374 WeakPolarHBondContact O-CB 3.44Å; E370-F374 PolarHBondContact O-N 2.85Å; E370-R422 IonicContact OE1-CZ 3.61Å; E370-R422 IonicContact OE1-NE 2.75Å; E370-R422 PolarHBondContact OE1-NE 2.8Å; E370-R422 IonicContact OE1-NH2 3.11Å; E370-R422 PolarHBondContact OE1-NH2 3.33Å; E370-R422 IonicContact OE2-CZ 3.63Å; E370-R422 IonicContact OE2-NE 2.68Å; E370-R422 IonicContact OE2-NH2 2.9Å; E370-R422 PolarHBondContact OE2-NH2 2.84Å; E370-A426 HydrophobicContact CG-CB 3.88Å
371L96Very high92.1Very high13 Ų1336.9 Ų36.97%0.06819%0.188CC..Hα-helixtrans-61.9-48.1177.9-177.870.8000111.7I337 L340 V342 A345 A367 L368 L369 F374 Y375I337-L371 HydrophobicContact CB-CD2 4.35Å; I337-L371 HydrophobicContact CG1-CD2 3.94Å; I337-L371 HydrophobicContact CG2-CD2 4.41Å; L340-L371 HydrophobicContact CD2-CD1 3.83Å; V342-L371 HydrophobicContact CG2-CD1 4.11Å; V342-L371 HydrophobicContact CG2-CD2 4.21Å; V342-L371 HydrophobicContact CG2-CG 3.99Å; A345-L371 HydrophobicContact CB-CD2 4.32Å; A367-L371 WeakPolarHBondContact O-CB 3.32Å; A367-L371 PolarHBondContact O-N 3.31Å; A367-L371 VanDerWaalsContact O-N 3.1Å; L368-L371 PolarHBondContact O-N 2.85Å; L369-L371 VanDerWaalsContact C-N 3.35Å; L369-L371 PolarHBondContact O-N 3.33Å; L371-F374 PolarHBondContact O-N 3.1Å; L371-Y375 HydrophobicContact CD1-CD2 3.87Å; L371-Y375 HydrophobicContact CD1-CE2 3.86Å; L371-Y375 PolarHBondContact O-N 2.77Å
372V96.2Very high91Very high1 Ų139.1 Ų39.11%0.00620%0.202CC..Hα-helixtrans-67.5-42.4-177.91750000110.9I346 L368 L369 N376 A377 V408 A409I346-V372 HydrophobicContact CD1-CG2 4.07Å; I346-V372 HydrophobicContact CG1-CG2 3.9Å; L368-V372 HydrophobicContact CD1-CG2 3.97Å; L368-V372 HydrophobicContact CG-CG2 4.23Å; L368-V372 WeakPolarHBondContact O-CB 3.27Å; L368-V372 VanDerWaalsContact O-CG2 3.26Å; L368-V372 WeakPolarHBondContact O-CG2 3.37Å; L368-V372 PolarHBondContact O-N 2.78Å; L369-V372 PolarHBondContact O-N 3.34Å; V372-N376 CarbonylContact O-C 3.57Å; V372-N376 VanDerWaalsContact O-CA 3.29Å; V372-N376 WeakPolarHBondContact O-CA 3.44Å; V372-N376 PolarHBondContact O-N 3.31Å; V372-A377 HydrophobicContact CG1-CB 3.84Å; V372-A377 PolarHBondContact O-N 3.18Å; V372-V408 HydrophobicContact CG1-CB 4.36Å; V372-V408 HydrophobicContact CG1-CG1 4.41Å; V372-A409 HydrophobicContact CG1-CB 4Å
373C95.8Very high90Very high3 Ų338 Ų382%0.0220%0.198CC..Hα-helixtrans-66.7-40.8176.5-71.10000112L369 Y375 N376 W403 A426 Y434L369-C373 VanDerWaalsContact CD1-SG 3.59Å; L369-C373 VanDerWaalsContact O-CB 3.22Å; L369-C373 WeakPolarHBondContact O-CB 3.31Å; L369-C373 PolarHBondContact O-N 3.26Å; L369-C373 PolarHBondContact O-SG 3.43Å; C373-Y375 VanDerWaalsContact C-N 3.33Å; C373-Y375 PolarHBondContact O-N 3.16Å; C373-N376 PolarHBondContact O-N 3.22Å; C373-W403 HydrophobicContact CB-CH2 4.15Å; C373-A426 VanDerWaalsContact CB-O 3.24Å; C373-A426 WeakPolarHBondContact CB-O 3.26Å; C373-A426 PolarHBondContact SG-O 2.94Å; C373-Y434 WeakPolarHBondContact O-CE2 3.42Å
374F92.8Very high89Confident112 Ų11237.8 Ų37.849%0.49119%0.193SC..Hα-helixtrans-65.8-35.3-178.2-175.4-91.9000112.7E370 L371 K433 Y434E370-F374 WeakPolarHBondContact O-CB 3.44Å; E370-F374 PolarHBondContact O-N 2.85Å; L371-F374 PolarHBondContact O-N 3.1Å; F374-K433 VanDerWaalsContact CE2-NZ 3.34Å; F374-K433 VanDerWaalsContact CZ-NZ 3.32Å; F374-K433 PolarHBondContact O-NZ 3.18Å; F374-Y434 PolarHBondContact O-OH 3.43Å
375Y91.4Very high88.1Confident55 Ų5538.2 Ų38.222%0.21620%0.196CC..Hα-helixtrans-104.75.7179.6-67.9-72.3000114.4L340 V342 L371 C373 A377 E378 P380 Y434L340-Y375 HydrophobicContact CD2-CE2 4.34Å; V342-Y375 HydrophobicContact CG2-CD2 3.86Å; V342-Y375 HydrophobicContact CG2-CG 4.26Å; L371-Y375 HydrophobicContact CD1-CD2 3.87Å; L371-Y375 HydrophobicContact CD1-CE2 3.86Å; L371-Y375 PolarHBondContact O-N 2.77Å; C373-Y375 VanDerWaalsContact C-N 3.33Å; C373-Y375 PolarHBondContact O-N 3.16Å; Y375-A377 VanDerWaalsContact C-N 3.25Å; Y375-A377 PolarHBondContact O-N 3.42Å; Y375-E378 VanDerWaalsContact CB-O 3.26Å; Y375-E378 WeakPolarHBondContact CB-O 3.38Å; Y375-E378 WeakPolarHBondContact O-CB 3.27Å; Y375-E378 PolarHBondContact O-N 3.4Å; Y375-P380 HydrophobicContact CD1-CB 4.02Å; Y375-P380 HydrophobicContact CD1-CG 4.12Å; Y375-P380 HydrophobicContact CD2-CG 4.47Å; Y375-P380 HydrophobicContact CE1-CB 3.55Å; Y375-P380 HydrophobicContact CE1-CG 3.74Å; Y375-P380 HydrophobicContact CE2-CG 4.1Å; Y375-P380 HydrophobicContact CG-CG 4.48Å; Y375-Y434 WeakPolarHBondContact CA-OH 3.26Å
376N92.7Very high87Confident5 Ų541.6 Ų41.63%0.02723%0.227CC..THydrogen-bonded Turntrans5143.6-174.4-164.323.6000113.1V372 C373 E378 N401 P402 K404 Y434V372-N376 CarbonylContact O-C 3.57Å; V372-N376 VanDerWaalsContact O-CA 3.29Å; V372-N376 WeakPolarHBondContact O-CA 3.44Å; V372-N376 PolarHBondContact O-N 3.31Å; C373-N376 PolarHBondContact O-N 3.22Å; N376-E378 PolarHBondContact O-N 2.97Å; N376-N401 PolarHBondContact ND2-OD1 2.88Å; N376-P402 PolarHBondContact ND2-O 2.87Å; N376-K404 PolarHBondContact O-NZ 2.84Å; N376-K404 PolarHBondContact OD1-N 3.44Å; N376-Y434 HydrophobicContact CB-CD1 4.16Å; N376-Y434 HydrophobicContact CB-CD2 3.76Å; N376-Y434 HydrophobicContact CB-CE1 3.94Å; N376-Y434 HydrophobicContact CB-CE2 3.56Å; N376-Y434 HydrophobicContact CB-CG 4.06Å
377A92Very high86.1Confident14 Ų1443.3 Ų43.312%0.11624%0.242CC..THydrogen-bonded Turntrans56.624.1-175.600000115H343 I346 V372 Y375H343-A377 PolarHBondContact NE2-O 3.15Å; I346-A377 HydrophobicContact CD1-CB 4.02Å; V372-A377 HydrophobicContact CG1-CB 3.84Å; V372-A377 PolarHBondContact O-N 3.18Å; Y375-A377 VanDerWaalsContact C-N 3.25Å; Y375-A377 PolarHBondContact O-N 3.42Å
378E89.8Confident85.2Confident82 Ų8243.5 Ų43.538%0.38324%0.241SC..PPolyproline II helixtrans-103.5149174.2-69.1-65.915500111.5V342 Y375 N376 P380 K404V342-E378 WeakPolarHBondContact CG2-O 3.02Å; Y375-E378 VanDerWaalsContact CB-O 3.26Å; Y375-E378 WeakPolarHBondContact CB-O 3.38Å; Y375-E378 WeakPolarHBondContact O-CB 3.27Å; Y375-E378 PolarHBondContact O-N 3.4Å; N376-E378 PolarHBondContact O-N 2.97Å; E378-P380 WeakPolarHBondContact O-CD 3.44Å; E378-K404 WeakPolarHBondContact OE1-CE 3.37Å; E378-K404 IonicContact OE1-NZ 3.05Å; E378-K404 PolarHBondContact OE1-NZ 3.46Å
379Q87.2Confident84.2Confident65 Ų6547.8 Ų47.830%0.30426%0.26SS..PPolyproline II helixtrans-80.1120.6175.7-179.36053.100110.6L340 H343L340-Q379 PolarHBondContact O-NE2 2.89Å; H343-Q379 VanDerWaalsContact CE1-CB 3.44Å; H343-Q379 WeakPolarHBondContact CE1-CB 3.21Å; H343-Q379 PolarHBondContact NE2-N 3.48Å
380P82.7Confident83.4Confident31 Ų3150.1 Ų50.120%0.20127%0.269CS..PPolyproline II helixtrans-65147.6169.926.7-34.7000111L340 Y375 E378 P382L340-P380 HydrophobicContact CB-CG 4.48Å; Y375-P380 HydrophobicContact CD1-CB 4.02Å; Y375-P380 HydrophobicContact CD1-CG 4.12Å; Y375-P380 HydrophobicContact CD2-CG 4.47Å; Y375-P380 HydrophobicContact CE1-CB 3.55Å; Y375-P380 HydrophobicContact CE1-CG 3.74Å; Y375-P380 HydrophobicContact CE2-CG 4.1Å; Y375-P380 HydrophobicContact CG-CG 4.48Å; E378-P380 WeakPolarHBondContact O-CD 3.44Å; P380-P382 WeakPolarHBondContact O-CD 3.3Å
381D73.9Confident82.5Confident66 Ų6647 Ų4735%0.35326%0.255SS..  trans-71.2108.9175.4179.46.2000110R291 D383 E384R291-D381 IonicContact CZ-OD2 2.92Å; R291-D381 IonicContact NE-OD2 3.2Å; R291-D381 PolarHBondContact NE-OD2 3.4Å; R291-D381 IonicContact NH2-OD2 3.24Å; R291-D381 PolarHBondContact NH2-OD2 3.37Å; D381-D383 PolarHBondContact O-N 3.18Å; D381-D383 PolarHBondContact OD1-N 3.39Å; D381-E384 HydrophobicContact CB-CB 4.11Å; D381-E384 PolarHBondContact O-N 3.31Å
382P69.1Low81.3Confident90 Ų9049.5 Ų49.558%0.58427%0.268SS*.THydrogen-bonded Turntrans-71.6-9.3-177.732.8-36.7000113.2P380P380-P382 WeakPolarHBondContact O-CD 3.3Å
383D68.7Low79.7Confident40 Ų4050.6 Ų50.621%0.21428%0.275CS..THydrogen-bonded Turntrans-110.35.1-178.9-72.7-45000113.3R294 D381 S385R294-D383 WeakPolarHBondContact CD-OD1 3.22Å; R294-D383 IonicContact CZ-OD1 2.9Å; R294-D383 IonicContact NE-OD1 3.33Å; R294-D383 IonicContact NH1-OD1 2.73Å; R294-D383 PolarHBondContact NH1-OD1 3.48Å; D381-D383 PolarHBondContact O-N 3.18Å; D381-D383 PolarHBondContact OD1-N 3.39Å; D383-S385 PolarHBondContact O-N 2.9Å
384E70.3Confident77.7Confident100 Ų10053.7 Ų53.747%0.46729%0.289SS..  trans-61.8126.5171.6-169.4165.7-150.300110D381 H388D381-E384 HydrophobicContact CB-CB 4.11Å; D381-E384 PolarHBondContact O-N 3.31Å; E384-H388 HydrophobicContact CG-CB 4.42Å; E384-H388 IonicContact OE1-CD2 3.41Å
385S75Confident75.6Confident12 Ų1252.1 Ų52.18%0.08429%0.285CS..  trans-105.1157.9-177.983.50000111.4E287 R290 D383 A387 H388 H389E287-S385 WeakPolarHBondContact OE1-CB 3.49Å; E287-S385 PolarHBondContact OE1-OG 3.43Å; R290-S385 PolarHBondContact NH1-OG 3.24Å; D383-S385 PolarHBondContact O-N 2.9Å; S385-A387 PolarHBondContact O-N 2.91Å; S385-A387 PolarHBondContact OG-N 3.37Å; S385-H388 WeakPolarHBondContact O-CA 3.19Å; S385-H388 WeakPolarHBondContact O-CB 3.31Å; S385-H388 PolarHBondContact O-N 2.84Å; S385-H388 PolarHBondContact OG-N 3.31Å; S385-H389 PolarHBondContact O-N 2.79Å
386A72.4Confident73.4Confident88 Ų8857.7 Ų57.773%0.72731%0.306SS*.Hα-helixtrans-55.2-36.117200000112.3H389 W390A386-H389 PolarHBondContact O-N 3.39Å; A386-W390 VanDerWaalsContact O-CB 3.31Å; A386-W390 WeakPolarHBondContact O-CB 3.46Å; A386-W390 PolarHBondContact O-N 3.23Å
387A75.1Confident71Confident43 Ų4361.6 Ų61.636%0.35533%0.331SS..Hα-helixtrans-68.4-39.9175.600000112S385 H389 W390 I391S385-A387 PolarHBondContact O-N 2.91Å; S385-A387 PolarHBondContact OG-N 3.37Å; A387-H389 VanDerWaalsContact C-N 3.34Å; A387-W390 PolarHBondContact O-N 3.26Å; A387-I391 VanDerWaalsContact O-CD1 3.3Å; A387-I391 WeakPolarHBondContact O-CD1 3.35Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.29Å; A387-I391 VanDerWaalsContact O-N 3.14Å
388H78.4Confident68.8Low17 Ų1764.4 Ų64.48%0.07935%0.347CS..Hα-helixtrans-60.1-47.6174.3-165.583.3000110.9E287 R291 E384 S385 I391 L392E287-H388 HydrophobicContact CG-CB 3.93Å; R291-H388 PolarHBondContact NH1-CE1 2.58Å; R291-H388 PolarHBondContact NH1-NE2 2.77Å; R291-H388 VanDerWaalsContact NH1-NE2 3.14Å; R291-H388 PolarHBondContact NH2-CD2 2.9Å; R291-H388 VanDerWaalsContact NH2-CD2 3.29Å; R291-H388 PolarHBondContact NH2-NE2 3.35Å; R291-H388 VanDerWaalsContact NH2-NE2 3.15Å; E384-H388 HydrophobicContact CG-CB 4.42Å; E384-H388 IonicContact OE1-CD2 3.41Å; S385-H388 WeakPolarHBondContact O-CA 3.19Å; S385-H388 WeakPolarHBondContact O-CB 3.31Å; S385-H388 PolarHBondContact O-N 2.84Å; S385-H388 PolarHBondContact OG-N 3.31Å; H388-I391 PolarHBondContact O-N 2.81Å; H388-L392 WeakPolarHBondContact NE2-CD1 3.26Å; H388-L392 WeakPolarHBondContact O-CB 3.39Å; H388-L392 PolarHBondContact O-N 2.96Å
389H75.2Confident66.9Low90 Ų9063.7 Ų63.742%0.41736%0.356SS..Hα-helixtrans-59.4-52.9177.4-167.769.6000110.6S385 A386 A387 I391 L392 T393S385-H389 PolarHBondContact O-N 2.79Å; A386-H389 PolarHBondContact O-N 3.39Å; A387-H389 VanDerWaalsContact C-N 3.34Å; H389-I391 PolarHBondContact O-N 3.32Å; H389-L392 PolarHBondContact O-N 2.86Å; H389-L392 VanDerWaalsContact O-N 3.1Å; H389-T393 PolarHBondContact CE1-OG1 3.44Å; H389-T393 VanDerWaalsContact CE1-OG1 3.29Å; H389-T393 PolarHBondContact ND1-OG1 3.35Å; H389-T393 PolarHBondContact NE2-OG1 3.18Å; H389-T393 WeakPolarHBondContact O-CB 3.36Å; H389-T393 PolarHBondContact O-N 3.15Å; H389-T393 PolarHBondContact O-OG1 3.28Å
390W79.6Confident65.4Low49 Ų4967.9 Ų67.919%0.18638%0.379CS..Hα-helixtrans-52.8-35.9178.7-176.785.8000113.5M264 A386 A387 S613 M614M264-W390 HydrophobicContact CE-CZ3 4.33Å; M264-W390 HydrophobicContact SD-CH2 4.47Å; M264-W390 HydrophobicContact SD-CZ3 3.77Å; A386-W390 VanDerWaalsContact O-CB 3.31Å; A386-W390 WeakPolarHBondContact O-CB 3.46Å; A386-W390 PolarHBondContact O-N 3.23Å; A387-W390 PolarHBondContact O-N 3.26Å; W390-S613 VanDerWaalsContact CD1-CA 3.45Å; W390-S613 WeakPolarHBondContact O-CA 3.38Å; W390-M614 HydrophobicContact CD2-CB 4.04Å; W390-M614 HydrophobicContact CE3-CB 4.02Å; W390-M614 HydrophobicContact CE3-CE 4.04Å; W390-M614 HydrophobicContact CH2-CB 3.71Å; W390-M614 HydrophobicContact CH2-CE 3.59Å; W390-M614 HydrophobicContact CH2-CG 3.81Å; W390-M614 HydrophobicContact CZ2-CB 3.72Å; W390-M614 HydrophobicContact CZ2-CG 4.16Å; W390-M614 HydrophobicContact CZ3-CB 3.88Å; W390-M614 HydrophobicContact CZ3-CE 3.18Å; W390-M614 HydrophobicContact CZ3-CG 4.17Å; W390-M614 WeakPolarHBondContact O-CB 3.39Å; W390-M614 PolarHBondContact O-N 2.84Å
391I78.9Confident65Low10 Ų1068.8 Ų68.85%0.05138%0.382CS..Hα-helixtrans-83.5-37.6179.2-57158.8000112.9M264 R280 G283 L284 A387 H388 H389 M614M264-I391 HydrophobicContact CE-CD1 3.99Å; M264-I391 HydrophobicContact CE-CG1 4.44Å; R280-I391 HydrophobicContact CB-CG2 4.3Å; R280-I391 HydrophobicContact CG-CG2 3.63Å; G283-I391 VanDerWaalsContact C-CD1 3.48Å; L284-I391 HydrophobicContact CD1-CG2 4.4Å; L284-I391 HydrophobicContact CD2-CB 4.17Å; L284-I391 HydrophobicContact CD2-CG2 3.76Å; L284-I391 HydrophobicContact CG-CG2 3.71Å; A387-I391 VanDerWaalsContact O-CD1 3.3Å; A387-I391 WeakPolarHBondContact O-CD1 3.35Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.29Å; A387-I391 VanDerWaalsContact O-N 3.14Å; H388-I391 PolarHBondContact O-N 2.81Å; H389-I391 PolarHBondContact O-N 3.32Å; I391-M614 HydrophobicContact CG1-CE 4.21Å; I391-M614 HydrophobicContact CG2-CE 4.39Å
392L70.1Confident65.5Low66 Ų6669.9 Ų69.935%0.34639%0.393SS..Hα-helixtrans-90.9-15.5-173.2-83.7-161.9000115.1L284 H388 H389 E394L284-L392 HydrophobicContact CD1-CD2 3.83Å; L284-L392 HydrophobicContact CD2-CD2 3.65Å; L284-L392 HydrophobicContact CD2-CG 3.72Å; L284-L392 HydrophobicContact CG-CD2 4.37Å; H388-L392 WeakPolarHBondContact NE2-CD1 3.26Å; H388-L392 WeakPolarHBondContact O-CB 3.39Å; H388-L392 PolarHBondContact O-N 2.96Å; H389-L392 PolarHBondContact O-N 2.86Å; H389-L392 VanDerWaalsContact O-N 3.1Å; L392-E394 PolarHBondContact O-N 3.04Å
393T62.3Low66.6Low25 Ų2566.5 Ų66.515%0.15337%0.369CS..  trans-65.176.7175.6-56.10000109.5H389 E575H389-T393 PolarHBondContact CE1-OG1 3.44Å; H389-T393 VanDerWaalsContact CE1-OG1 3.29Å; H389-T393 PolarHBondContact ND1-OG1 3.35Å; H389-T393 PolarHBondContact NE2-OG1 3.18Å; H389-T393 WeakPolarHBondContact O-CB 3.36Å; H389-T393 PolarHBondContact O-N 3.15Å; H389-T393 PolarHBondContact O-OG1 3.28Å; T393-E575 WeakPolarHBondContact CG2-OE1 3.39Å
394E54.1Low67.6Low68 Ų6868.2 Ų68.232%0.31837%0.374SS..  trans-69.3136.4146.1-70179.3-163.300105R280 L392 R396R280-E394 IonicContact CZ-OE1 3.92Å; R280-E394 IonicContact NH1-OE1 3.21Å; R280-E394 PolarHBondContact NH1-OE1 3.28Å; R280-E394 IonicContact NH2-OE1 3.44Å; R280-E394 PolarHBondContact NH2-OE1 3.38Å; L392-E394 PolarHBondContact O-N 3.04Å; E394-R396 HydrophobicContact CB-CG 4.12Å; E394-R396 PolarHBondContact O-N 2.95Å; E394-R396 IonicContact OE2-CZ 2.75Å; E394-R396 IonicContact OE2-NE 3.72Å; E394-R396 PolarHBondContact OE2-NE 2.92Å; E394-R396 IonicContact OE2-NH2 2.71Å; E394-R396 PolarHBondContact OE2-NH2 2.95Å
395L49.6Very low68.3Low78 Ų7869.9 Ų69.941%0.40838%0.382SS..  trans-65.551.1176.9-64.1164.9000112.1L576L395-L576 HydrophobicContact CD1-CD2 3.41Å; L395-L576 VanDerWaalsContact CD1-CD2 3.41Å; L395-L576 HydrophobicContact CD2-CD1 4.18Å; L395-L576 HydrophobicContact CD2-CD2 3.29Å; L395-L576 HydrophobicContact CD2-CG 3.95Å; L395-L576 HydrophobicContact CG-CD2 3.93Å
396R43.6Very low68.9Low173 Ų17372 Ų7265%0.65341%0.406SS*.  trans-87.8127.7178.8-72.7-164.7-166.3-142.43.2108.7E394E394-R396 HydrophobicContact CB-CG 4.12Å; E394-R396 PolarHBondContact O-N 2.95Å; E394-R396 IonicContact OE2-CZ 2.75Å; E394-R396 IonicContact OE2-NE 3.72Å; E394-R396 PolarHBondContact OE2-NE 2.92Å; E394-R396 IonicContact OE2-NH2 2.71Å; E394-R396 PolarHBondContact OE2-NH2 2.95Å
397P43.4Very low69.7Low86 Ų8668.8 Ų68.856%0.55838%0.381SS*.  trans-63.6153174.227.8-32.5000109.1A399P397-A399 HydrophobicContact CB-CB 4.5Å; P397-A399 HydrophobicContact CG-CB 4.19Å; P397-A399 PolarHBondContact O-N 3.32Å
398T46.1Very low70.6Confident73 Ų7367.9 Ų67.945%0.44837%0.371SS..G310 helixtrans-50.77.7171.5390000115.9L400 N401 H435T398-L400 PolarHBondContact O-N 3.31Å; T398-N401 PolarHBondContact O-N 2.84Å; T398-H435 PolarHBondContact OG1-NE2 3.5Å
399A48.6Very low71.4Confident68 Ų6867.3 Ų67.356%0.56237%0.369SS*.G310 helixtrans-59.7-10-179.200000115.2P397 N401P397-A399 HydrophobicContact CB-CB 4.5Å; P397-A399 HydrophobicContact CG-CB 4.19Å; P397-A399 PolarHBondContact O-N 3.32Å; A399-N401 VanDerWaalsContact C-N 3.32Å
400L57.2Low72.4Confident153 Ų15364.4 Ų64.480%0.80136%0.356SS*.G310 helixtrans-76.8-15.7175.6-76.9165.5000113.8T398T398-L400 PolarHBondContact O-N 3.31Å
401N74.2Confident73Confident49 Ų4967.9 Ų67.926%0.26237%0.372SS..SBendtrans-131.380.9-179.2-168.612.7000111.6N376 T398 A399 Y434N376-N401 PolarHBondContact ND2-OD1 2.88Å; T398-N401 PolarHBondContact O-N 2.84Å; A399-N401 VanDerWaalsContact C-N 3.32Å; N401-Y434 VanDerWaalsContact O-CD1 3.22Å; N401-Y434 WeakPolarHBondContact O-CD1 3.41Å
402P84Confident73.7Confident89 Ų8967.4 Ų67.458%0.57837%0.37SS*.  trans-62.9153.217727.5-34.1000111.8N376 K404N376-P402 PolarHBondContact ND2-O 2.87Å; P402-K404 PolarHBondContact O-N 2.96Å
403W91.5Very high74.9Confident19 Ų1964.6 Ų64.67%0.07236%0.355CS..  trans-53.4135.5177.4-174.9-99.6000112C373 E405 A409 E410 L427 M431 Y434C373-W403 HydrophobicContact CB-CH2 4.15Å; W403-E405 PolarHBondContact O-N 3.04Å; W403-A409 HydrophobicContact CH2-CB 3.83Å; W403-A409 HydrophobicContact CZ2-CB 3.66Å; W403-E410 PolarHBondContact NE1-OE1 3.47Å; W403-L427 HydrophobicContact CH2-CD1 4.15Å; W403-L427 HydrophobicContact CZ2-CD1 3.65Å; W403-M431 HydrophobicContact CD2-CB 4.47Å; W403-M431 HydrophobicContact CD2-CG 3.82Å; W403-M431 HydrophobicContact CE3-CG 4.44Å; W403-M431 HydrophobicContact CG-CG 4.13Å; W403-M431 HydrophobicContact CH2-CG 4.47Å; W403-M431 HydrophobicContact CZ2-CE 4.32Å; W403-M431 HydrophobicContact CZ2-CG 3.89Å; W403-Y434 AromaticContact CE3-CD2 3.88Å; W403-Y434 HydrophobicContact CE3-CD2 3.88Å; W403-Y434 HydrophobicContact CE3-CG 4.36Å; W403-Y434 HydrophobicContact CZ3-CD2 4.1Å; W403-Y434 PolarHBondContact N-O 3.43Å
404K89.2Confident76.4Confident77 Ų7768 Ų6834%0.33537%0.372SS..  trans-86.487178.7-66.4172.1-176.9162.50110.4N376 E378 P402 G406 G407N376-K404 PolarHBondContact O-NZ 2.84Å; N376-K404 PolarHBondContact OD1-N 3.44Å; E378-K404 WeakPolarHBondContact OE1-CE 3.37Å; E378-K404 IonicContact OE1-NZ 3.05Å; E378-K404 PolarHBondContact OE1-NZ 3.46Å; P402-K404 PolarHBondContact O-N 2.96Å; K404-G406 PolarHBondContact O-N 3.45Å; K404-G407 PolarHBondContact O-N 2.99Å; K404-G407 VanDerWaalsContact O-N 3.11Å
405E86.6Confident78.1Confident135 Ų13567.1 Ų67.163%0.63137%0.373SS*.THydrogen-bonded Turntrans-57.6131.8179.8-66.8-164.8162.600112.6W403 G407W403-E405 PolarHBondContact O-N 3.04Å; E405-G407 PolarHBondContact O-N 3.43Å
406G86.1Confident80.2Confident57 Ų5763.4 Ų63.459%0.58835%0.354SS*.THydrogen-bonded Turntrans70.519.8-17900000113.8K404 E410K404-G406 PolarHBondContact O-N 3.45Å; G406-E410 PolarHBondContact N-OE1 2.86Å
407G90.5Very high82.3Confident19 Ų1961.5 Ų61.520%0.19635%0.352CS..SBendtrans-77-160.5-179.900000113.7K404 E405 A409 E410 K411K404-G407 PolarHBondContact O-N 2.99Å; K404-G407 VanDerWaalsContact O-N 3.11Å; E405-G407 PolarHBondContact O-N 3.43Å; G407-A409 VanDerWaalsContact C-N 3.29Å; G407-A409 PolarHBondContact O-N 3.39Å; G407-E410 PolarHBondContact N-OE2 3.44Å; G407-K411 WeakPolarHBondContact O-CG 3.42Å; G407-K411 PolarHBondContact O-N 2.93Å
408V93.1Very high84.5Confident25 Ų2562 Ų6215%0.15236%0.355CS..Hα-helixtrans-66.2-32.9179.7179.30000111.5I346 V372 E410 K411 V412I346-V408 HydrophobicContact CD1-CG1 4.25Å; I346-V408 HydrophobicContact CG1-CG1 4.05Å; I346-V408 HydrophobicContact CG2-CG1 3.95Å; I346-V408 HydrophobicContact CG2-CG2 4.12Å; V372-V408 HydrophobicContact CG1-CB 4.36Å; V372-V408 HydrophobicContact CG1-CG1 4.41Å; V408-E410 PolarHBondContact O-N 3.17Å; V408-K411 PolarHBondContact O-N 2.99Å; V408-V412 HydrophobicContact CG1-CG2 4.04Å; V408-V412 WeakPolarHBondContact O-CG2 3.16Å; V408-V412 PolarHBondContact O-N 3.47Å
409A95.7Very high86.7Confident5 Ų561.3 Ų61.34%0.04135%0.346CS..Hα-helixtrans-58.1-50.7179.400000111.8L369 V372 W403 G407 K411 V412 F413 L427L369-A409 HydrophobicContact CD1-CB 4.5Å; L369-A409 VanDerWaalsContact CD1-O 3.28Å; L369-A409 WeakPolarHBondContact CD1-O 3.32Å; V372-A409 HydrophobicContact CG1-CB 4Å; W403-A409 HydrophobicContact CH2-CB 3.83Å; W403-A409 HydrophobicContact CZ2-CB 3.66Å; G407-A409 VanDerWaalsContact C-N 3.29Å; G407-A409 PolarHBondContact O-N 3.39Å; A409-K411 VanDerWaalsContact C-N 3.32Å; A409-K411 PolarHBondContact O-N 3.14Å; A409-V412 PolarHBondContact O-N 3.47Å; A409-F413 WeakPolarHBondContact O-CB 2.86Å; A409-F413 PolarHBondContact O-N 3.07Å; A409-L427 HydrophobicContact CB-CD1 4.05Å
410E94.9Very high88.8Confident28 Ų2859.8 Ų59.813%0.13133%0.33CS..Hα-helixtrans-66.6-33.7178.4-63.988.9160.200112W403 G406 G407 V408 F413 N414 L427 M431W403-E410 PolarHBondContact NE1-OE1 3.47Å; G406-E410 PolarHBondContact N-OE1 2.86Å; G407-E410 PolarHBondContact N-OE2 3.44Å; V408-E410 PolarHBondContact O-N 3.17Å; E410-F413 PolarHBondContact O-N 3.19Å; E410-N414 WeakPolarHBondContact O-CB 3.26Å; E410-N414 PolarHBondContact O-N 3.09Å; E410-N414 PolarHBondContact O-ND2 3.32Å; E410-L427 HydrophobicContact CG-CD1 4.47Å; E410-M431 HydrophobicContact CG-CE 4.38Å
411K92.9Very high90.6Very high123 Ų12354.2 Ų54.254%0.53530%0.304SS..Hα-helixtrans-64.5-46.3174.6-69.6176.3-174.4177.90112G407 V408 A409 N414 S415G407-K411 WeakPolarHBondContact O-CG 3.42Å; G407-K411 PolarHBondContact O-N 2.93Å; V408-K411 PolarHBondContact O-N 2.99Å; A409-K411 VanDerWaalsContact C-N 3.32Å; A409-K411 PolarHBondContact O-N 3.14Å; K411-N414 PolarHBondContact O-N 3.35Å; K411-S415 PolarHBondContact O-N 2.91Å
412V94Very high91.6Very high0 Ų056.3 Ų56.30%031%0.308CS..Hα-helixtrans-64.1-45176.4176.50000109.6Y349 L368 L369 V408 A409 N414 S415 I416Y349-V412 HydrophobicContact CD1-CG2 4.1Å; Y349-V412 HydrophobicContact CE1-CG2 3.64Å; Y349-V412 HydrophobicContact CE2-CG2 4.49Å; L368-V412 HydrophobicContact CD2-CG1 4.2Å; L368-V412 HydrophobicContact CD2-CG2 3.82Å; L368-V412 HydrophobicContact CG-CG1 4.45Å; L368-V412 HydrophobicContact CG-CG2 4.36Å; L369-V412 HydrophobicContact CB-CG1 3.97Å; L369-V412 HydrophobicContact CD1-CB 4.29Å; L369-V412 HydrophobicContact CD1-CG1 4.34Å; V408-V412 HydrophobicContact CG1-CG2 4.04Å; V408-V412 WeakPolarHBondContact O-CG2 3.16Å; V408-V412 PolarHBondContact O-N 3.47Å; A409-V412 PolarHBondContact O-N 3.47Å; V412-N414 VanDerWaalsContact C-N 3.34Å; V412-N414 PolarHBondContact O-N 2.98Å; V412-S415 WeakPolarHBondContact O-CB 2.83Å; V412-S415 PolarHBondContact O-N 3.25Å; V412-S415 VanDerWaalsContact O-N 3.08Å; V412-S415 PolarHBondContact O-OG 3.22Å; V412-I416 PolarHBondContact O-N 3.04Å
413F95.8Very high92.2Very high7 Ų752.1 Ų52.13%0.03128%0.281CS..Hα-helixtrans-56.7-45176.7176-103.4000112.8L369 A409 E410 S415 I416 K419 Y424 L427L369-F413 HydrophobicContact CD1-CB 4.13Å; L369-F413 HydrophobicContact CD2-CB 4.24Å; L369-F413 HydrophobicContact CD2-CD2 4.03Å; A409-F413 WeakPolarHBondContact O-CB 2.86Å; A409-F413 PolarHBondContact O-N 3.07Å; E410-F413 PolarHBondContact O-N 3.19Å; F413-S415 PolarHBondContact O-N 3.42Å; F413-I416 PolarHBondContact O-N 3.1Å; F413-K419 HydrophobicContact CE1-CD 3.98Å; F413-K419 HydrophobicContact CE2-CD 4.42Å; F413-K419 HydrophobicContact CZ-CD 3.7Å; F413-K419 HydrophobicContact CZ-CG 4.35Å; F413-Y424 HydrophobicContact CE2-CD1 4.26Å; F413-Y424 HydrophobicContact CE2-CD2 4.31Å; F413-Y424 HydrophobicContact CE2-CG 4.15Å; F413-Y424 AromaticContact CZ-CD1 3.84Å; F413-Y424 HydrophobicContact CZ-CD1 3.84Å; F413-Y424 HydrophobicContact CZ-CD2 4.26Å; F413-Y424 AromaticContact CZ-CE1 3.7Å; F413-Y424 HydrophobicContact CZ-CE1 3.7Å; F413-Y424 HydrophobicContact CZ-CE2 4.13Å; F413-Y424 HydrophobicContact CZ-CG 4.11Å; F413-Y424 AromaticContact CZ-CZ 3.83Å; F413-L427 HydrophobicContact CB-CD2 4.11Å; F413-L427 HydrophobicContact CD1-CD2 3.75Å; F413-L427 HydrophobicContact CD2-CB 4.36Å; F413-L427 HydrophobicContact CD2-CD2 4.02Å; F413-L427 HydrophobicContact CE1-CD2 4.09Å; F413-L427 HydrophobicContact CE2-CD2 4.38Å; F413-L427 HydrophobicContact CG-CD2 3.69Å; F413-L427 HydrophobicContact CZ-CD2 4.4Å
414N93.1Very high92.5Very high97 Ų9751.2 Ų51.252%0.51928%0.277SS..Hα-helixtrans-68.5-22.3178.9-72.1-34000113.6E410 K411 V412 I416E410-N414 WeakPolarHBondContact O-CB 3.26Å; E410-N414 PolarHBondContact O-N 3.09Å; E410-N414 PolarHBondContact O-ND2 3.32Å; K411-N414 PolarHBondContact O-N 3.35Å; V412-N414 VanDerWaalsContact C-N 3.34Å; V412-N414 PolarHBondContact O-N 2.98Å; N414-I416 VanDerWaalsContact C-N 3.34Å
415S90.6Very high92.8Very high48 Ų4847.7 Ų47.734%0.33626%0.262SS..Hα-helixtrans-76.1-19.417677.50000113.8Y349 K411 V412 F413 Q417Y349-S415 WeakPolarHBondContact OH-CB 3.24Å; Y349-S415 PolarHBondContact OH-OG 2.83Å; K411-S415 PolarHBondContact O-N 2.91Å; V412-S415 WeakPolarHBondContact O-CB 2.83Å; V412-S415 PolarHBondContact O-N 3.25Å; V412-S415 VanDerWaalsContact O-N 3.08Å; V412-S415 PolarHBondContact O-OG 3.22Å; F413-S415 PolarHBondContact O-N 3.42Å; S415-Q417 PolarHBondContact O-N 2.86Å
416I92.1Very high93.3Very high0 Ų041.8 Ų41.80%024%0.236CC..  trans-80.3119.2-178.2-63.7169.8000109.9L365 L369 V412 F413 N414L365-I416 HydrophobicContact CB-CD1 4.07Å; L365-I416 HydrophobicContact CB-CG1 3.8Å; L365-I416 HydrophobicContact CD1-CG1 4.1Å; L369-I416 HydrophobicContact CD2-CD1 4.05Å; V412-I416 PolarHBondContact O-N 3.04Å; F413-I416 PolarHBondContact O-N 3.1Å; N414-I416 VanDerWaalsContact C-N 3.34Å
417Q88Confident93.9Very high134 Ų13439.2 Ų39.263%0.62621%0.209SC*.SBendtrans-135.2126.8178.4-66.5-63.3-22.200112.3Q362 S415Q362-Q417 PolarHBondContact NE2-O 2.78Å; S415-Q417 PolarHBondContact O-N 2.86Å
418P89.8Confident94.2Very high96 Ų9638.3 Ų38.362%0.62320%0.2SC*.SBendcis-68154.3-9.631.6-35000111Q362Q362-P418 PolarHBondContact NE2-O 2.93Å
419K92.4Very high94.3Very high59 Ų5938 Ų3826%0.25720%0.198SC..  trans-64.3138.2169-65.1176.6177.1174.40109.5F413 Y424 E446F413-K419 HydrophobicContact CE1-CD 3.98Å; F413-K419 HydrophobicContact CE2-CD 4.42Å; F413-K419 HydrophobicContact CZ-CD 3.7Å; F413-K419 HydrophobicContact CZ-CG 4.35Å; K419-Y424 HydrophobicContact CB-CD2 4.32Å; K419-Y424 HydrophobicContact CB-CE2 3.69Å; K419-Y424 HydrophobicContact CD-CE2 3.88Å; K419-Y424 WeakPolarHBondContact CD-OH 3.3Å; K419-Y424 HydrophobicContact CG-CE2 4.42Å; K419-E446 IonicContact NZ-OE1 3.69Å
420T93.9Very high94.3Very high35 Ų3537.9 Ų37.922%0.21520%0.197CC..  trans-119.7167.5-175.772.60000111.3H366 R422 S423 Y424H366-T420 PolarHBondContact NE2-OG1 3.29Å; T420-R422 PolarHBondContact O-N 3.32Å; T420-R422 PolarHBondContact OG1-N 3.5Å; T420-S423 PolarHBondContact N-OG 3.29Å; T420-S423 PolarHBondContact O-N 2.57Å; T420-S423 VanDerWaalsContact O-N 3.13Å; T420-S423 PolarHBondContact O-OG 3.27Å; T420-S423 PolarHBondContact OG1-N 2.77Å; T420-Y424 PolarHBondContact O-N 2.89Å
421S94.5Very high94.3Very high37 Ų3736.7 Ų36.726%0.25919%0.191SC..Hα-helixtrans-53.4-42.1172.2-700000112.9S423 Y424 S425 V453S421-S423 VanDerWaalsContact C-N 3.34Å; S421-S423 PolarHBondContact O-N 3.22Å; S421-Y424 PolarHBondContact O-N 2.81Å; S421-S425 VanDerWaalsContact O-CB 3.32Å; S421-S425 WeakPolarHBondContact O-CB 3.26Å; S421-S425 PolarHBondContact O-N 2.7Å; S421-S425 PolarHBondContact O-OG 3.28Å; S421-V453 VanDerWaalsContact CB-O 3.24Å; S421-V453 WeakPolarHBondContact CB-O 3.41Å; S421-V453 PolarHBondContact OG-N 3.22Å; S421-V453 PolarHBondContact OG-O 3.47Å
422R95.6Very high94.3Very high93 Ų9331 Ų3135%0.35117%0.166SC..Hα-helixtrans-60-42.9178.8-172.9176.7179.8-162-6.3111.8D363 H366 E370 T420 A426D363-R422 IonicContact OD1-NH1 2.66Å; D363-R422 PolarHBondContact OD1-NH1 2.76Å; H366-R422 HydrophobicContact CB-CG 4.31Å; E370-R422 IonicContact OE1-CZ 3.61Å; E370-R422 IonicContact OE1-NE 2.75Å; E370-R422 PolarHBondContact OE1-NE 2.8Å; E370-R422 IonicContact OE1-NH2 3.11Å; E370-R422 PolarHBondContact OE1-NH2 3.33Å; E370-R422 IonicContact OE2-CZ 3.63Å; E370-R422 IonicContact OE2-NE 2.68Å; E370-R422 IonicContact OE2-NH2 2.9Å; E370-R422 PolarHBondContact OE2-NH2 2.84Å; T420-R422 PolarHBondContact O-N 3.32Å; T420-R422 PolarHBondContact OG1-N 3.5Å; R422-A426 WeakPolarHBondContact O-CB 3.18Å; R422-A426 PolarHBondContact O-N 3.18Å
423S95.7Very high94.1Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-66.4-44178.965.70000113.3L369 T420 S421 L427L369-S423 WeakPolarHBondContact CD2-O 3.22Å; T420-S423 PolarHBondContact N-OG 3.29Å; T420-S423 PolarHBondContact O-N 2.57Å; T420-S423 VanDerWaalsContact O-N 3.13Å; T420-S423 PolarHBondContact O-OG 3.27Å; T420-S423 PolarHBondContact OG1-N 2.77Å; S421-S423 VanDerWaalsContact C-N 3.34Å; S421-S423 PolarHBondContact O-N 3.22Å; S423-L427 PolarHBondContact O-N 3.01Å
424Y97.4Very high93.8Very high1 Ų134.7 Ų34.70%0.00418%0.182CC..Hα-helixtrans-66.1-47.8176.6-84.5-84.4000111.1F413 K419 T420 S421 A426 L427 I428 L443 E446 M447 L452F413-Y424 HydrophobicContact CE2-CD1 4.26Å; F413-Y424 HydrophobicContact CE2-CD2 4.31Å; F413-Y424 HydrophobicContact CE2-CG 4.15Å; F413-Y424 AromaticContact CZ-CD1 3.84Å; F413-Y424 HydrophobicContact CZ-CD1 3.84Å; F413-Y424 HydrophobicContact CZ-CD2 4.26Å; F413-Y424 AromaticContact CZ-CE1 3.7Å; F413-Y424 HydrophobicContact CZ-CE1 3.7Å; F413-Y424 HydrophobicContact CZ-CE2 4.13Å; F413-Y424 HydrophobicContact CZ-CG 4.11Å; F413-Y424 AromaticContact CZ-CZ 3.83Å; K419-Y424 HydrophobicContact CB-CD2 4.32Å; K419-Y424 HydrophobicContact CB-CE2 3.69Å; K419-Y424 HydrophobicContact CD-CE2 3.88Å; K419-Y424 WeakPolarHBondContact CD-OH 3.3Å; K419-Y424 HydrophobicContact CG-CE2 4.42Å; T420-Y424 PolarHBondContact O-N 2.89Å; S421-Y424 PolarHBondContact O-N 2.81Å; Y424-A426 VanDerWaalsContact C-N 3.35Å; Y424-A426 PolarHBondContact O-N 3.33Å; Y424-L427 PolarHBondContact O-N 3.21Å; Y424-I428 WeakPolarHBondContact O-CB 2.98Å; Y424-I428 VanDerWaalsContact O-CG1 3.27Å; Y424-I428 WeakPolarHBondContact O-CG1 3.28Å; Y424-I428 PolarHBondContact O-N 3.36Å; Y424-L443 HydrophobicContact CE1-CD2 4.34Å; Y424-E446 HydrophobicContact CE1-CB 4.49Å; Y424-E446 HydrophobicContact CE1-CG 4.2Å; Y424-E446 PolarHBondContact OH-OE1 3.47Å; Y424-M447 VanDerWaalsContact CB-SD 3.53Å; Y424-M447 HydrophobicContact CD1-CB 3.76Å; Y424-M447 HydrophobicContact CD1-CG 4.32Å; Y424-M447 HydrophobicContact CD2-CB 4.39Å; Y424-M447 HydrophobicContact CD2-CG 4.23Å; Y424-M447 HydrophobicContact CE1-CB 4.28Å; Y424-M447 HydrophobicContact CG-CB 3.84Å; Y424-M447 HydrophobicContact CG-CG 3.87Å; Y424-M447 HydrophobicContact CG-SD 4.3Å; Y424-L452 HydrophobicContact CD2-CD1 3.68Å; Y424-L452 HydrophobicContact CE2-CD1 3.73Å
425S97.1Very high93.5Very high2 Ų233 Ų331%0.01417%0.171CC..Hα-helixtrans-56.8-45.5178.1-77.90000112S421 L427 I428 N429 D455 T458S421-S425 VanDerWaalsContact O-CB 3.32Å; S421-S425 WeakPolarHBondContact O-CB 3.26Å; S421-S425 PolarHBondContact O-N 2.7Å; S421-S425 PolarHBondContact O-OG 3.28Å; S425-L427 VanDerWaalsContact C-N 3.34Å; S425-L427 PolarHBondContact O-N 2.99Å; S425-I428 PolarHBondContact O-N 3.44Å; S425-N429 WeakPolarHBondContact O-CB 3.29Å; S425-N429 PolarHBondContact O-N 3.19Å; S425-N429 PolarHBondContact O-ND2 3.29Å; S425-N429 VanDerWaalsContact O-ND2 3.09Å; S425-N429 PolarHBondContact O-OD1 2.76Å; S425-D455 PolarHBondContact OG-N 3.44Å; S425-T458 WeakPolarHBondContact CB-OG1 3.31Å; S425-T458 PolarHBondContact OG-OG1 3.1Å
426A96.6Very high93.6Very high11 Ų1131.4 Ų31.49%0.09116%0.16CC..Hα-helixtrans-58.1-44.6177.400000112.6L369 E370 C373 R422 Y424 G430L369-A426 HydrophobicContact CD2-CB 4.04Å; L369-A426 HydrophobicContact CG-CB 4.02Å; E370-A426 HydrophobicContact CG-CB 3.88Å; C373-A426 VanDerWaalsContact CB-O 3.24Å; C373-A426 WeakPolarHBondContact CB-O 3.26Å; C373-A426 PolarHBondContact SG-O 2.94Å; R422-A426 WeakPolarHBondContact O-CB 3.18Å; R422-A426 PolarHBondContact O-N 3.18Å; Y424-A426 VanDerWaalsContact C-N 3.35Å; Y424-A426 PolarHBondContact O-N 3.33Å; A426-G430 PolarHBondContact O-N 3.19Å; A426-G430 VanDerWaalsContact O-N 3.16Å
427L97.2Very high93.5Very high3 Ų332.1 Ų32.12%0.01616%0.164CC..Hα-helixtrans-70.5-46.7-179.2-171.362.7000112.4W403 A409 E410 F413 S423 Y424 S425 N429 G430 M431 L443W403-L427 HydrophobicContact CH2-CD1 4.15Å; W403-L427 HydrophobicContact CZ2-CD1 3.65Å; A409-L427 HydrophobicContact CB-CD1 4.05Å; E410-L427 HydrophobicContact CG-CD1 4.47Å; F413-L427 HydrophobicContact CB-CD2 4.11Å; F413-L427 HydrophobicContact CD1-CD2 3.75Å; F413-L427 HydrophobicContact CD2-CB 4.36Å; F413-L427 HydrophobicContact CD2-CD2 4.02Å; F413-L427 HydrophobicContact CE1-CD2 4.09Å; F413-L427 HydrophobicContact CE2-CD2 4.38Å; F413-L427 HydrophobicContact CG-CD2 3.69Å; F413-L427 HydrophobicContact CZ-CD2 4.4Å; S423-L427 PolarHBondContact O-N 3.01Å; Y424-L427 PolarHBondContact O-N 3.21Å; S425-L427 VanDerWaalsContact C-N 3.34Å; S425-L427 PolarHBondContact O-N 2.99Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.15Å; L427-G430 PolarHBondContact O-N 2.87Å; L427-M431 HydrophobicContact CD1-CE 4.03Å; L427-M431 HydrophobicContact CD2-CE 4.22Å; L427-M431 HydrophobicContact CG-CE 3.96Å; L427-M431 WeakPolarHBondContact O-CG 3.16Å; L427-M431 PolarHBondContact O-N 2.83Å; L427-L443 HydrophobicContact CD2-CD1 3.75Å; L427-L443 HydrophobicContact CG-CD1 4.11Å
428I97.3Very high93.7Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-59.9-45.9177.6-66.9164.3000110.2Y424 S425 G430 M431 L432 A440 L443 F444 M447 T458 M462Y424-I428 WeakPolarHBondContact O-CB 2.98Å; Y424-I428 VanDerWaalsContact O-CG1 3.27Å; Y424-I428 WeakPolarHBondContact O-CG1 3.28Å; Y424-I428 PolarHBondContact O-N 3.36Å; S425-I428 PolarHBondContact O-N 3.44Å; I428-G430 VanDerWaalsContact C-N 3.35Å; I428-G430 PolarHBondContact O-N 3.25Å; I428-M431 PolarHBondContact O-N 3.29Å; I428-L432 HydrophobicContact CG2-CD1 3.68Å; I428-L432 HydrophobicContact CG2-CG 4.28Å; I428-L432 WeakPolarHBondContact O-CB 3.31Å; I428-L432 VanDerWaalsContact O-CG 3.31Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 3.18Å; I428-A440 HydrophobicContact CG2-CB 4.31Å; I428-L443 HydrophobicContact CD1-CB 4.25Å; I428-L443 HydrophobicContact CG1-CB 3.83Å; I428-F444 HydrophobicContact CD1-CB 4.13Å; I428-F444 HydrophobicContact CD1-CD2 4.49Å; I428-M447 HydrophobicContact CD1-SD 4.07Å; I428-T458 HydrophobicContact CB-CG2 4.22Å; I428-T458 HydrophobicContact CD1-CG2 4.39Å; I428-T458 HydrophobicContact CG2-CG2 3.7Å; I428-M462 HydrophobicContact CG2-SD 4.47Å
429N96.4Very high93.8Very high19 Ų1926.9 Ų26.910%0.10215%0.147CC..Hα-helixtrans-61.9-42179.9-68.1-16.4000111.8S425 L427 K433 T458 L461S425-N429 WeakPolarHBondContact O-CB 3.29Å; S425-N429 PolarHBondContact O-N 3.19Å; S425-N429 PolarHBondContact O-ND2 3.29Å; S425-N429 VanDerWaalsContact O-ND2 3.09Å; S425-N429 PolarHBondContact O-OD1 2.76Å; L427-N429 VanDerWaalsContact C-N 3.34Å; L427-N429 PolarHBondContact O-N 3.15Å; N429-K433 VanDerWaalsContact O-CB 3.31Å; N429-K433 WeakPolarHBondContact O-CB 3.45Å; N429-K433 PolarHBondContact O-N 2.91Å; N429-T458 WeakPolarHBondContact OD1-CA 3.35Å; N429-T458 PolarHBondContact OD1-OG1 3.5Å; N429-L461 HydrophobicContact CB-CD1 3.71Å
430G94.3Very high94Very high2 Ų224 Ų242%0.02114%0.135CC..Hα-helixtrans-59.8-52.1172.900000112.1A426 L427 I428 L432 K433 Y434A426-G430 PolarHBondContact O-N 3.19Å; A426-G430 VanDerWaalsContact O-N 3.16Å; L427-G430 PolarHBondContact O-N 2.87Å; I428-G430 VanDerWaalsContact C-N 3.35Å; I428-G430 PolarHBondContact O-N 3.25Å; G430-L432 VanDerWaalsContact C-N 3.33Å; G430-L432 PolarHBondContact O-N 2.56Å; G430-K433 PolarHBondContact O-N 3.26Å; G430-Y434 VanDerWaalsContact O-CD2 3.26Å; G430-Y434 WeakPolarHBondContact O-CD2 3.47Å; G430-Y434 PolarHBondContact O-N 3.34Å; G430-Y434 VanDerWaalsContact O-N 3.1Å
431M94.9Very high94Very high4 Ų423.3 Ų23.32%0.0213%0.132CC..Hα-helixtrans-59.1-42.1179.8-72.9-175.9178.400112.5W403 E410 L427 I428 Y434 H435 S436 T439 A440 L443W403-M431 HydrophobicContact CD2-CB 4.47Å; W403-M431 HydrophobicContact CD2-CG 3.82Å; W403-M431 HydrophobicContact CE3-CG 4.44Å; W403-M431 HydrophobicContact CG-CG 4.13Å; W403-M431 HydrophobicContact CH2-CG 4.47Å; W403-M431 HydrophobicContact CZ2-CE 4.32Å; W403-M431 HydrophobicContact CZ2-CG 3.89Å; E410-M431 HydrophobicContact CG-CE 4.38Å; L427-M431 HydrophobicContact CD1-CE 4.03Å; L427-M431 HydrophobicContact CD2-CE 4.22Å; L427-M431 HydrophobicContact CG-CE 3.96Å; L427-M431 WeakPolarHBondContact O-CG 3.16Å; L427-M431 PolarHBondContact O-N 2.83Å; I428-M431 PolarHBondContact O-N 3.29Å; M431-Y434 CarbonylContact O-C 3.48Å; M431-Y434 PolarHBondContact O-N 3.11Å; M431-H435 PolarHBondContact O-N 3.09Å; M431-H435 VanDerWaalsContact O-N 3.15Å; M431-S436 PolarHBondContact O-N 3.33Å; M431-T439 HydrophobicContact CE-CG2 4.04Å; M431-T439 HydrophobicContact SD-CG2 3.83Å; M431-A440 HydrophobicContact CB-CB 3.82Å; M431-L443 HydrophobicContact CE-CD1 3.73Å; M431-L443 HydrophobicContact SD-CD1 3.57Å; M431-L443 VanDerWaalsContact SD-CD1 3.57Å
432L93.5Very high94Very high2 Ų228.8 Ų28.81%0.0115%0.151CC..Hα-helixtrans-66.4-42.3176.9-69.4169.9000112.2I428 G430 Y434 H435 V437 A440 L461 M462 N465 M469I428-L432 HydrophobicContact CG2-CD1 3.68Å; I428-L432 HydrophobicContact CG2-CG 4.28Å; I428-L432 WeakPolarHBondContact O-CB 3.31Å; I428-L432 VanDerWaalsContact O-CG 3.31Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 3.18Å; G430-L432 VanDerWaalsContact C-N 3.33Å; G430-L432 PolarHBondContact O-N 2.56Å; L432-Y434 VanDerWaalsContact C-N 3.25Å; L432-Y434 PolarHBondContact O-N 3.28Å; L432-H435 PolarHBondContact O-N 2.9Å; L432-V437 HydrophobicContact CD2-CG1 4.29Å; L432-A440 HydrophobicContact CD2-CB 3.71Å; L432-A440 HydrophobicContact CG-CB 3.74Å; L432-L461 HydrophobicContact CB-CB 4.24Å; L432-L461 HydrophobicContact CD1-CB 3.64Å; L432-M462 HydrophobicContact CD1-CG 3.95Å; L432-M462 HydrophobicContact CD1-SD 3.76Å; L432-M462 HydrophobicContact CD2-SD 4.17Å; L432-N465 HydrophobicContact CD2-CB 4.08Å; L432-M469 HydrophobicContact CD2-CE 4.04Å
433K89.6Confident94Very high64 Ų6425.4 Ų25.428%0.27814%0.14SC..Hα-helixtrans-60.4-35.1177.8-176.9179.7179.7-173.10112.5F374 N429 G430F374-K433 VanDerWaalsContact CE2-NZ 3.34Å; F374-K433 VanDerWaalsContact CZ-NZ 3.32Å; F374-K433 PolarHBondContact O-NZ 3.18Å; N429-K433 VanDerWaalsContact O-CB 3.31Å; N429-K433 WeakPolarHBondContact O-CB 3.45Å; N429-K433 PolarHBondContact O-N 2.91Å; G430-K433 PolarHBondContact O-N 3.26Å
434Y89.1Confident94Very high21 Ų2125.5 Ų25.58%0.08214%0.14CC..THydrogen-bonded Turntrans-106.927.1-178.3-62.8-75.5000113.6C373 F374 Y375 N376 N401 W403 G430 M431 L432 S436C373-Y434 WeakPolarHBondContact O-CE2 3.42Å; F374-Y434 PolarHBondContact O-OH 3.43Å; Y375-Y434 WeakPolarHBondContact CA-OH 3.26Å; N376-Y434 HydrophobicContact CB-CD1 4.16Å; N376-Y434 HydrophobicContact CB-CD2 3.76Å; N376-Y434 HydrophobicContact CB-CE1 3.94Å; N376-Y434 HydrophobicContact CB-CE2 3.56Å; N376-Y434 HydrophobicContact CB-CG 4.06Å; N401-Y434 VanDerWaalsContact O-CD1 3.22Å; N401-Y434 WeakPolarHBondContact O-CD1 3.41Å; W403-Y434 AromaticContact CE3-CD2 3.88Å; W403-Y434 HydrophobicContact CE3-CD2 3.88Å; W403-Y434 HydrophobicContact CE3-CG 4.36Å; W403-Y434 HydrophobicContact CZ3-CD2 4.1Å; W403-Y434 PolarHBondContact N-O 3.43Å; G430-Y434 VanDerWaalsContact O-CD2 3.26Å; G430-Y434 WeakPolarHBondContact O-CD2 3.47Å; G430-Y434 PolarHBondContact O-N 3.34Å; G430-Y434 VanDerWaalsContact O-N 3.1Å; M431-Y434 CarbonylContact O-C 3.48Å; M431-Y434 PolarHBondContact O-N 3.11Å; L432-Y434 VanDerWaalsContact C-N 3.25Å; L432-Y434 PolarHBondContact O-N 3.28Å; Y434-S436 VanDerWaalsContact C-N 3.35Å; Y434-S436 PolarHBondContact O-N 3.28Å
435H87.6Confident93.8Very high62 Ų6228.8 Ų28.829%0.28716%0.158SC..THydrogen-bonded Turntrans64.520.9167.6-48.2-71.2000116.7T398 M431 L432 V437 R468T398-H435 PolarHBondContact OG1-NE2 3.5Å; M431-H435 PolarHBondContact O-N 3.09Å; M431-H435 VanDerWaalsContact O-N 3.15Å; L432-H435 PolarHBondContact O-N 2.9Å; H435-V437 VanDerWaalsContact C-N 3.31Å; H435-V437 PolarHBondContact O-N 3.45Å; H435-R468 PolarHBondContact CE1-NH1 3.49Å; H435-R468 VanDerWaalsContact CE1-NH1 3.34Å; H435-R468 PolarHBondContact ND1-NH1 3.29Å
436S91.6Very high93.8Very high15 Ų1531.9 Ų31.911%0.10517%0.172CC..  trans-89.865.6167.8-171.70000111.3M431 Y434 A440M431-S436 PolarHBondContact O-N 3.33Å; Y434-S436 VanDerWaalsContact C-N 3.35Å; Y434-S436 PolarHBondContact O-N 3.28Å; S436-A440 WeakPolarHBondContact O-CB 3.49Å; S436-A440 PolarHBondContact O-N 2.87Å
437V91.9Very high93.7Very high14 Ų1431.3 Ų31.39%0.08517%0.168CC..Hα-helixtrans-70.9-40.9-167.8-176.20000112.9L432 H435 A440 A441 N465 R468 M469L432-V437 HydrophobicContact CD2-CG1 4.29Å; H435-V437 VanDerWaalsContact C-N 3.31Å; H435-V437 PolarHBondContact O-N 3.45Å; V437-A440 PolarHBondContact O-N 3.31Å; V437-A441 PolarHBondContact O-N 3.1Å; V437-N465 HydrophobicContact CG1-CB 4.23Å; V437-N465 HydrophobicContact CG2-CB 4.39Å; V437-R468 HydrophobicContact CG1-CB 4.46Å; V437-R468 HydrophobicContact CG2-CB 4.29Å; V437-M469 HydrophobicContact CG1-CE 3.52Å; V437-M469 HydrophobicContact CG1-CG 3.35Å; V437-M469 HydrophobicContact CG1-SD 4.3Å
438A90.9Very high93.5Very high72 Ų7235.6 Ų35.660%0.59518%0.184SC*.Hα-helixtrans-67.2-39.6-176.800000112.5K442A438-K442 PolarHBondContact O-N 3.36Å
439T92.3Very high93.3Very high48 Ų4842.1 Ų42.129%0.29422%0.219SC..Hα-helixtrans-70.7-40.9177.3-51.50000110.8M431 A441 K442 L443M431-T439 HydrophobicContact CE-CG2 4.04Å; M431-T439 HydrophobicContact SD-CG2 3.83Å; T439-A441 VanDerWaalsContact C-N 3.34Å; T439-A441 PolarHBondContact O-N 3.38Å; T439-K442 PolarHBondContact O-N 2.91Å; T439-L443 PolarHBondContact O-N 3.48Å; T439-L443 VanDerWaalsContact O-N 3.11Å
440A95.6Very high93.1Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-58.7-43.1173.700000112.8I428 M431 L432 S436 V437 K442 L443 F444I428-A440 HydrophobicContact CG2-CB 4.31Å; M431-A440 HydrophobicContact CB-CB 3.82Å; L432-A440 HydrophobicContact CD2-CB 3.71Å; L432-A440 HydrophobicContact CG-CB 3.74Å; S436-A440 WeakPolarHBondContact O-CB 3.49Å; S436-A440 PolarHBondContact O-N 2.87Å; V437-A440 PolarHBondContact O-N 3.31Å; A440-K442 VanDerWaalsContact C-N 3.35Å; A440-K442 PolarHBondContact O-N 2.95Å; A440-L443 PolarHBondContact O-N 3.3Å; A440-F444 WeakPolarHBondContact O-CB 3.41Å; A440-F444 PolarHBondContact O-N 2.96Å
441A94.1Very high93Very high19 Ų1951.5 Ų51.516%0.15727%0.273CS..Hα-helixtrans-62.3-40.5178.500000112.3V437 T439 F444 D445 M462V437-A441 PolarHBondContact O-N 3.1Å; T439-A441 VanDerWaalsContact C-N 3.34Å; T439-A441 PolarHBondContact O-N 3.38Å; A441-F444 WeakPolarHBondContact O-CB 3.44Å; A441-F444 PolarHBondContact O-N 2.68Å; A441-D445 PolarHBondContact O-N 3.27Å; A441-M462 HydrophobicContact CB-CE 4.44Å
442K94.6Very high93Very high153 Ų15353.3 Ų53.367%0.66528%0.283SS*.Hα-helixtrans-63.8-42.5175.2-69.1176.4-177.3177.20112.3A438 T439 A440 F444 D445 E446A438-K442 PolarHBondContact O-N 3.36Å; T439-K442 PolarHBondContact O-N 2.91Å; A440-K442 VanDerWaalsContact C-N 3.35Å; A440-K442 PolarHBondContact O-N 2.95Å; K442-F444 VanDerWaalsContact C-N 3.29Å; K442-F444 PolarHBondContact O-N 3.33Å; K442-D445 PolarHBondContact O-N 3.47Å; K442-E446 PolarHBondContact O-N 3.47Å
443L95.4Very high93Very high22 Ų2256.4 Ų56.412%0.11530%0.301CS..Hα-helixtrans-66.8-32.8176.4-75.8172.3000112.3Y424 L427 I428 M431 T439 A440 E446 M447Y424-L443 HydrophobicContact CE1-CD2 4.34Å; L427-L443 HydrophobicContact CD2-CD1 3.75Å; L427-L443 HydrophobicContact CG-CD1 4.11Å; I428-L443 HydrophobicContact CD1-CB 4.25Å; I428-L443 HydrophobicContact CG1-CB 3.83Å; M431-L443 HydrophobicContact CE-CD1 3.73Å; M431-L443 HydrophobicContact SD-CD1 3.57Å; M431-L443 VanDerWaalsContact SD-CD1 3.57Å; T439-L443 PolarHBondContact O-N 3.48Å; T439-L443 VanDerWaalsContact O-N 3.11Å; A440-L443 PolarHBondContact O-N 3.3Å; L443-E446 PolarHBondContact O-N 3.06Å; L443-M447 VanDerWaalsContact O-CB 3.26Å; L443-M447 WeakPolarHBondContact O-CB 3.5Å; L443-M447 PolarHBondContact O-N 2.83Å
444F96.2Very high93.3Very high1 Ų153.4 Ų53.40%0.00429%0.288CS..Hα-helixtrans-64.3-43.4173.2-176.7-86.7000111.4I428 A440 A441 K442 M447 R448 P454 T458 Y459 M462 L483I428-F444 HydrophobicContact CD1-CB 4.13Å; I428-F444 HydrophobicContact CD1-CD2 4.49Å; A440-F444 WeakPolarHBondContact O-CB 3.41Å; A440-F444 PolarHBondContact O-N 2.96Å; A441-F444 WeakPolarHBondContact O-CB 3.44Å; A441-F444 PolarHBondContact O-N 2.68Å; K442-F444 VanDerWaalsContact C-N 3.29Å; K442-F444 PolarHBondContact O-N 3.33Å; F444-M447 WeakPolarHBondContact O-CB 3.42Å; F444-M447 PolarHBondContact O-N 3.4Å; F444-R448 HydrophobicContact CE1-CG 4.4Å; F444-R448 WeakPolarHBondContact O-CG 3.18Å; F444-R448 PolarHBondContact O-N 3.05Å; F444-P454 HydrophobicContact CD2-CG 4.23Å; F444-P454 HydrophobicContact CE2-CB 3.86Å; F444-P454 HydrophobicContact CE2-CG 3.53Å; F444-P454 HydrophobicContact CZ-CG 3.9Å; F444-T458 HydrophobicContact CD2-CG2 3.99Å; F444-T458 HydrophobicContact CE2-CG2 4.17Å; F444-Y459 HydrophobicContact CE2-CE1 4.28Å; F444-Y459 HydrophobicContact CZ-CD1 4.24Å; F444-Y459 AromaticContact CZ-CE1 3.66Å; F444-Y459 HydrophobicContact CZ-CE1 3.66Å; F444-Y459 AromaticContact CZ-CZ 3.95Å; F444-M462 HydrophobicContact CB-CE 4Å; F444-M462 HydrophobicContact CB-SD 4.27Å; F444-M462 HydrophobicContact CD1-CE 4.03Å; F444-M462 HydrophobicContact CD2-CE 4.2Å; F444-M462 HydrophobicContact CD2-CG 3.81Å; F444-M462 HydrophobicContact CD2-SD 4.21Å; F444-M462 HydrophobicContact CE2-CG 4.02Å; F444-M462 HydrophobicContact CG-CE 3.81Å; F444-M462 HydrophobicContact CG-CG 4.38Å; F444-M462 HydrophobicContact CG-SD 4.27Å; F444-L483 HydrophobicContact CE1-CD2 4.15Å; F444-L483 HydrophobicContact CZ-CD2 4.22Å
445D94.2Very high93.6Very high71 Ų7155.5 Ų55.538%0.3830%0.301SS..Hα-helixtrans-66.7-44.3175.4-64.2-28.9000110.9A441 K442 M447 R448 D449 R479A441-D445 PolarHBondContact O-N 3.27Å; K442-D445 PolarHBondContact O-N 3.47Å; D445-M447 VanDerWaalsContact C-N 3.33Å; D445-M447 PolarHBondContact O-N 3.24Å; D445-R448 PolarHBondContact O-N 3.04Å; D445-R448 VanDerWaalsContact O-N 3.1Å; D445-D449 PolarHBondContact O-N 3.03Å; D445-R479 IonicContact OD1-NH2 2.68Å
446E95.5Very high94Very high66 Ų6654.5 Ų54.531%0.30830%0.298SS..Hα-helixtrans-57.4-43.6174.8-177-169.4145.400112.2K419 Y424 K442 L443 R448 D449 H450K419-E446 IonicContact NZ-OE1 3.69Å; Y424-E446 HydrophobicContact CE1-CB 4.49Å; Y424-E446 HydrophobicContact CE1-CG 4.2Å; Y424-E446 PolarHBondContact OH-OE1 3.47Å; K442-E446 PolarHBondContact O-N 3.47Å; L443-E446 PolarHBondContact O-N 3.06Å; E446-R448 VanDerWaalsContact C-N 3.25Å; E446-R448 PolarHBondContact O-N 3.32Å; E446-D449 PolarHBondContact O-N 3.33Å; E446-H450 PolarHBondContact O-N 3.03Å; E446-H450 PolarHBondContact O-ND1 2.89Å; E446-H450 IonicContact OE1-CE1 2.99Å
447M96.1Very high94.1Very high0 Ų058.4 Ų58.40%032%0.317CS..Hα-helixtrans-56.5-43177.2178.1-178.3-171.700111.3Y424 I428 L443 F444 D445 H450 L452 V453 P454Y424-M447 VanDerWaalsContact CB-SD 3.53Å; Y424-M447 HydrophobicContact CD1-CB 3.76Å; Y424-M447 HydrophobicContact CD1-CG 4.32Å; Y424-M447 HydrophobicContact CD2-CB 4.39Å; Y424-M447 HydrophobicContact CD2-CG 4.23Å; Y424-M447 HydrophobicContact CE1-CB 4.28Å; Y424-M447 HydrophobicContact CG-CB 3.84Å; Y424-M447 HydrophobicContact CG-CG 3.87Å; Y424-M447 HydrophobicContact CG-SD 4.3Å; I428-M447 HydrophobicContact CD1-SD 4.07Å; L443-M447 VanDerWaalsContact O-CB 3.26Å; L443-M447 WeakPolarHBondContact O-CB 3.5Å; L443-M447 PolarHBondContact O-N 2.83Å; F444-M447 WeakPolarHBondContact O-CB 3.42Å; F444-M447 PolarHBondContact O-N 3.4Å; D445-M447 VanDerWaalsContact C-N 3.33Å; D445-M447 PolarHBondContact O-N 3.24Å; M447-H450 PolarHBondContact O-N 3.42Å; M447-L452 HydrophobicContact CE-CB 4.14Å; M447-L452 HydrophobicContact CG-CB 3.85Å; M447-L452 WeakPolarHBondContact O-CB 3.38Å; M447-L452 PolarHBondContact O-N 3.49Å; M447-L452 VanDerWaalsContact O-N 3.15Å; M447-V453 WeakPolarHBondContact CE-O 3.46Å; M447-P454 VanDerWaalsContact CE-CA 3.43Å; M447-P454 HydrophobicContact CE-CB 4.13Å; M447-P454 HydrophobicContact CE-CG 4.18Å; M447-P454 HydrophobicContact SD-CB 4.01Å; M447-P454 HydrophobicContact SD-CG 3.81Å
448R92.5Very high94.3Very high92 Ų9257.7 Ų57.735%0.34731%0.313SS..Hα-helixtrans-73.8-34.8-179.6-68.5-170.666.8-161.2-2.8112.8F444 D445 E446 H450 S451 P454F444-R448 HydrophobicContact CE1-CG 4.4Å; F444-R448 WeakPolarHBondContact O-CG 3.18Å; F444-R448 PolarHBondContact O-N 3.05Å; D445-R448 PolarHBondContact O-N 3.04Å; D445-R448 VanDerWaalsContact O-N 3.1Å; E446-R448 VanDerWaalsContact C-N 3.25Å; E446-R448 PolarHBondContact O-N 3.32Å; R448-H450 PolarHBondContact O-N 3.15Å; R448-S451 WeakPolarHBondContact O-CA 3.5Å; R448-S451 PolarHBondContact O-N 3.24Å; R448-P454 HydrophobicContact CG-CG 4.47Å
449D92.7Very high94.6Very high137 Ų13754.3 Ų54.373%0.73328%0.284SS*.Hα-helixtrans-60.1-32173-71-18.3000111.4D445 E446 S451D445-D449 PolarHBondContact O-N 3.03Å; E446-D449 PolarHBondContact O-N 3.33Å; D449-S451 PolarHBondContact O-N 3.43Å
450H93Very high94.8Very high110 Ų11052.6 Ų52.651%0.50927%0.274SS..THydrogen-bonded Turntrans-78.37.5171.5-67.695.9000114.2E446 M447 R448 L452E446-H450 PolarHBondContact O-N 3.03Å; E446-H450 PolarHBondContact O-ND1 2.89Å; E446-H450 IonicContact OE1-CE1 2.99Å; M447-H450 PolarHBondContact O-N 3.42Å; R448-H450 PolarHBondContact O-N 3.15Å; H450-L452 HydrophobicContact CB-CD1 4.15Å; H450-L452 HydrophobicContact CB-CG 4.09Å; H450-L452 PolarHBondContact O-N 3.01Å
451S92.1Very high94.8Very high109 Ų10954.7 Ų54.776%0.76229%0.285SS*.THydrogen-bonded Turntrans56.629-175.6-55.30000113.7R448 D449R448-S451 WeakPolarHBondContact O-CA 3.5Å; R448-S451 PolarHBondContact O-N 3.24Å; D449-S451 PolarHBondContact O-N 3.43Å
452L94.1Very high94.9Very high41 Ų4153.8 Ų53.822%0.21528%0.277CS..PPolyproline II helixtrans-92.3134.2174.1-61.8174.8000109.8Y424 M447 H450 P454Y424-L452 HydrophobicContact CD2-CD1 3.68Å; Y424-L452 HydrophobicContact CE2-CD1 3.73Å; M447-L452 HydrophobicContact CE-CB 4.14Å; M447-L452 HydrophobicContact CG-CB 3.85Å; M447-L452 WeakPolarHBondContact O-CB 3.38Å; M447-L452 PolarHBondContact O-N 3.49Å; M447-L452 VanDerWaalsContact O-N 3.15Å; H450-L452 HydrophobicContact CB-CD1 4.15Å; H450-L452 HydrophobicContact CB-CG 4.09Å; H450-L452 PolarHBondContact O-N 3.01Å; L452-P454 WeakPolarHBondContact O-CD 3.39Å
453V94.6Very high94.9Very high67 Ų6746.5 Ų46.541%0.40625%0.246SC..PPolyproline II helixtrans-88.1122.5-179.21780000109.9S421 M447 D490S421-V453 VanDerWaalsContact CB-O 3.24Å; S421-V453 WeakPolarHBondContact CB-O 3.41Å; S421-V453 PolarHBondContact OG-N 3.22Å; S421-V453 PolarHBondContact OG-O 3.47Å; M447-V453 WeakPolarHBondContact CE-O 3.46Å; V453-D490 HydrophobicContact CG1-CB 3.81Å
454P95.3Very high94.8Very high1 Ų146.5 Ų46.51%0.00625%0.248CC..PPolyproline II helixtrans-64.6147.5172.8-16.829.2000112F444 M447 R448 L452 T458 Y459 L492F444-P454 HydrophobicContact CD2-CG 4.23Å; F444-P454 HydrophobicContact CE2-CB 3.86Å; F444-P454 HydrophobicContact CE2-CG 3.53Å; F444-P454 HydrophobicContact CZ-CG 3.9Å; M447-P454 VanDerWaalsContact CE-CA 3.43Å; M447-P454 HydrophobicContact CE-CB 4.13Å; M447-P454 HydrophobicContact CE-CG 4.18Å; M447-P454 HydrophobicContact SD-CB 4.01Å; M447-P454 HydrophobicContact SD-CG 3.81Å; R448-P454 HydrophobicContact CG-CG 4.47Å; L452-P454 WeakPolarHBondContact O-CD 3.39Å; P454-T458 HydrophobicContact CB-CG2 4.08Å; P454-Y459 HydrophobicContact CB-CD2 4.05Å; P454-Y459 HydrophobicContact CB-CE2 3.75Å; P454-Y459 HydrophobicContact CG-CE2 3.89Å; P454-L492 WeakPolarHBondContact O-CD1 3.48Å
455D94.7Very high94.7Very high65 Ų6547 Ų4735%0.34825%0.251SS..PPolyproline II helixtrans-73.6168172.170.718.1000112.7S425 L457 T458 Y459S425-D455 PolarHBondContact OG-N 3.44Å; D455-L457 VanDerWaalsContact C-N 3.28Å; D455-L457 PolarHBondContact O-N 3.37Å; D455-L457 PolarHBondContact OD1-N 3.15Å; D455-T458 WeakPolarHBondContact O-CB 3.29Å; D455-T458 PolarHBondContact O-N 3.4Å; D455-T458 VanDerWaalsContact OD1-CB 3.29Å; D455-T458 WeakPolarHBondContact OD1-CB 3.31Å; D455-T458 PolarHBondContact OD1-N 2.96Å; D455-T458 PolarHBondContact OD1-OG1 2.91Å; D455-Y459 PolarHBondContact O-N 2.87Å
456L95.7Very high94.7Very high42 Ų4243.6 Ų43.622%0.2223%0.233CC..Hα-helixtrans-60.3-37-179-17762.2000112.6T458 Y459 N460 M487 N495L456-T458 VanDerWaalsContact C-N 3.33Å; L456-T458 PolarHBondContact O-N 3.22Å; L456-Y459 PolarHBondContact O-N 2.84Å; L456-N460 WeakPolarHBondContact O-CB 3.32Å; L456-N460 PolarHBondContact O-N 3.37Å; L456-N460 PolarHBondContact O-OD1 2.75Å; L456-M487 HydrophobicContact CD1-CE 3.18Å; L456-M487 HydrophobicContact CD1-SD 4.11Å; L456-N495 HydrophobicContact CD2-CB 4.34Å
457L94.8Very high94.4Very high96 Ų9641 Ų4150%0.50322%0.222SC..Hα-helixtrans-64.5-40.4178.4177.960.4000111.2D455 N460 L461D455-L457 VanDerWaalsContact C-N 3.28Å; D455-L457 PolarHBondContact O-N 3.37Å; D455-L457 PolarHBondContact OD1-N 3.15Å; L457-N460 PolarHBondContact O-N 3.03Å; L457-L461 HydrophobicContact CD1-CD1 4.14Å; L457-L461 HydrophobicContact CD1-CG 4.14Å; L457-L461 HydrophobicContact CG-CD1 4.13Å; L457-L461 WeakPolarHBondContact O-CG 3.32Å; L457-L461 PolarHBondContact O-N 3.14Å
458T96.6Very high93.9Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-61.6-46.9177-50.30000110.7S425 I428 N429 F444 P454 D455 L456 N460 L461 M462S425-T458 WeakPolarHBondContact CB-OG1 3.31Å; S425-T458 PolarHBondContact OG-OG1 3.1Å; I428-T458 HydrophobicContact CB-CG2 4.22Å; I428-T458 HydrophobicContact CD1-CG2 4.39Å; I428-T458 HydrophobicContact CG2-CG2 3.7Å; N429-T458 WeakPolarHBondContact OD1-CA 3.35Å; N429-T458 PolarHBondContact OD1-OG1 3.5Å; F444-T458 HydrophobicContact CD2-CG2 3.99Å; F444-T458 HydrophobicContact CE2-CG2 4.17Å; P454-T458 HydrophobicContact CB-CG2 4.08Å; D455-T458 WeakPolarHBondContact O-CB 3.29Å; D455-T458 PolarHBondContact O-N 3.4Å; D455-T458 VanDerWaalsContact OD1-CB 3.29Å; D455-T458 WeakPolarHBondContact OD1-CB 3.31Å; D455-T458 PolarHBondContact OD1-N 2.96Å; D455-T458 PolarHBondContact OD1-OG1 2.91Å; L456-T458 VanDerWaalsContact C-N 3.33Å; L456-T458 PolarHBondContact O-N 3.22Å; T458-N460 PolarHBondContact O-N 3.37Å; T458-L461 PolarHBondContact O-N 2.65Å; T458-M462 WeakPolarHBondContact O-CB 3.07Å; T458-M462 VanDerWaalsContact O-CG 3.24Å; T458-M462 WeakPolarHBondContact O-CG 3.45Å; T458-M462 PolarHBondContact O-N 3.23Å
459Y97.4Very high93.6Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-59.5-45.7173.7-86.2-70.7000112.2F444 P454 D455 L456 L461 M462 L463 T486 M487 D490 L492F444-Y459 HydrophobicContact CE2-CE1 4.28Å; F444-Y459 HydrophobicContact CZ-CD1 4.24Å; F444-Y459 AromaticContact CZ-CE1 3.66Å; F444-Y459 HydrophobicContact CZ-CE1 3.66Å; F444-Y459 AromaticContact CZ-CZ 3.95Å; P454-Y459 HydrophobicContact CB-CD2 4.05Å; P454-Y459 HydrophobicContact CB-CE2 3.75Å; P454-Y459 HydrophobicContact CG-CE2 3.89Å; D455-Y459 PolarHBondContact O-N 2.87Å; L456-Y459 PolarHBondContact O-N 2.84Å; Y459-L461 PolarHBondContact O-N 2.78Å; Y459-M462 PolarHBondContact O-N 3.16Å; Y459-L463 WeakPolarHBondContact O-CB 2.95Å; Y459-L463 VanDerWaalsContact O-CG 3.28Å; Y459-L463 WeakPolarHBondContact O-CG 3.38Å; Y459-L463 PolarHBondContact O-N 3.11Å; Y459-T486 HydrophobicContact CE1-CG2 4.28Å; Y459-T486 WeakPolarHBondContact OH-CG2 3.05Å; Y459-M487 HydrophobicContact CD1-CB 3.89Å; Y459-M487 HydrophobicContact CD1-CG 4.39Å; Y459-M487 HydrophobicContact CD2-CB 4.35Å; Y459-M487 HydrophobicContact CD2-CG 4.16Å; Y459-M487 HydrophobicContact CE1-CB 3.95Å; Y459-M487 HydrophobicContact CE2-CB 4.4Å; Y459-M487 HydrophobicContact CG-CB 4.1Å; Y459-M487 HydrophobicContact CG-CG 4.09Å; Y459-M487 HydrophobicContact CG-SD 4.34Å; Y459-D490 PolarHBondContact OH-OD2 3.4Å; Y459-L492 HydrophobicContact CD2-CD1 3.46Å; Y459-L492 VanDerWaalsContact CD2-CD1 3.46Å; Y459-L492 HydrophobicContact CE2-CD1 3.56Å
460N95.8Very high93.2Very high13 Ų1341.6 Ų41.67%0.0722%0.22CC..Hα-helixtrans-61.9-43179.2-69.9-6.6000112L456 L457 T458 L463 A464 N495 S497 T498 A501L456-N460 WeakPolarHBondContact O-CB 3.32Å; L456-N460 PolarHBondContact O-N 3.37Å; L456-N460 PolarHBondContact O-OD1 2.75Å; L457-N460 PolarHBondContact O-N 3.03Å; T458-N460 PolarHBondContact O-N 3.37Å; N460-L463 PolarHBondContact O-N 3.33Å; N460-A464 WeakPolarHBondContact O-CB 3.49Å; N460-A464 PolarHBondContact O-N 2.8Å; N460-N495 PolarHBondContact ND2-OD1 2.92Å; N460-S497 WeakPolarHBondContact ND2-CB 3.48Å; N460-T498 PolarHBondContact ND2-N 3.39Å; N460-T498 PolarHBondContact ND2-OG1 2.9Å; N460-T498 WeakPolarHBondContact OD1-CA 3.49Å; N460-T498 VanDerWaalsContact OD1-CB 3.26Å; N460-T498 WeakPolarHBondContact OD1-CB 3.31Å; N460-T498 WeakPolarHBondContact OD1-CG2 3.42Å; N460-T498 PolarHBondContact OD1-OG1 2.98Å; N460-A501 HydrophobicContact CB-CB 4.46Å; N460-A501 VanDerWaalsContact O-CB 3.27Å; N460-A501 WeakPolarHBondContact O-CB 3.47Å
461L94.7Very high92.7Very high44 Ų4448 Ų4823%0.2324%0.24CC..Hα-helixtrans-69.9-35.9177.6-72175.7000112.5N429 L432 L457 T458 Y459 A464 N465N429-L461 HydrophobicContact CB-CD1 3.71Å; L432-L461 HydrophobicContact CB-CB 4.24Å; L432-L461 HydrophobicContact CD1-CB 3.64Å; L457-L461 HydrophobicContact CD1-CD1 4.14Å; L457-L461 HydrophobicContact CD1-CG 4.14Å; L457-L461 HydrophobicContact CG-CD1 4.13Å; L457-L461 WeakPolarHBondContact O-CG 3.32Å; L457-L461 PolarHBondContact O-N 3.14Å; T458-L461 PolarHBondContact O-N 2.65Å; Y459-L461 PolarHBondContact O-N 2.78Å; L461-A464 PolarHBondContact O-N 2.59Å; L461-N465 PolarHBondContact O-N 3.29Å; L461-N465 PolarHBondContact O-ND2 2.91Å
462M96.5Very high92.4Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-62-49.5172.5-75.6-67.5-70.200110.2I428 L432 A441 F444 T458 Y459 A464 N465 V466 M469 L483I428-M462 HydrophobicContact CG2-SD 4.47Å; L432-M462 HydrophobicContact CD1-CG 3.95Å; L432-M462 HydrophobicContact CD1-SD 3.76Å; L432-M462 HydrophobicContact CD2-SD 4.17Å; A441-M462 HydrophobicContact CB-CE 4.44Å; F444-M462 HydrophobicContact CB-CE 4Å; F444-M462 HydrophobicContact CB-SD 4.27Å; F444-M462 HydrophobicContact CD1-CE 4.03Å; F444-M462 HydrophobicContact CD2-CE 4.2Å; F444-M462 HydrophobicContact CD2-CG 3.81Å; F444-M462 HydrophobicContact CD2-SD 4.21Å; F444-M462 HydrophobicContact CE2-CG 4.02Å; F444-M462 HydrophobicContact CG-CE 3.81Å; F444-M462 HydrophobicContact CG-CG 4.38Å; F444-M462 HydrophobicContact CG-SD 4.27Å; T458-M462 WeakPolarHBondContact O-CB 3.07Å; T458-M462 VanDerWaalsContact O-CG 3.24Å; T458-M462 WeakPolarHBondContact O-CG 3.45Å; T458-M462 PolarHBondContact O-N 3.23Å; Y459-M462 PolarHBondContact O-N 3.16Å; M462-A464 PolarHBondContact O-N 2.97Å; M462-N465 PolarHBondContact O-N 3.34Å; M462-N465 VanDerWaalsContact O-N 3.14Å; M462-V466 WeakPolarHBondContact O-CG2 3.45Å; M462-V466 PolarHBondContact O-N 3.07Å; M462-M469 HydrophobicContact CE-CE 3.73Å; M462-M469 HydrophobicContact CE-SD 4.18Å; M462-M469 HydrophobicContact SD-CE 3.66Å; M462-L483 HydrophobicContact CB-CD1 4.2Å
463L96Very high92.2Very high0 Ų043.9 Ų43.90%022%0.215CC..Hα-helixtrans-56.4-46.6176.7-75.8168.4000111.7Y459 N460 N465 V466 V480 L483 L484 T498 A501 V502 T505Y459-L463 WeakPolarHBondContact O-CB 2.95Å; Y459-L463 VanDerWaalsContact O-CG 3.28Å; Y459-L463 WeakPolarHBondContact O-CG 3.38Å; Y459-L463 PolarHBondContact O-N 3.11Å; N460-L463 PolarHBondContact O-N 3.33Å; L463-N465 PolarHBondContact O-N 2.93Å; L463-V466 PolarHBondContact O-N 3.15Å; L463-V480 HydrophobicContact CD2-CB 4.49Å; L463-V480 HydrophobicContact CD2-CG1 4.1Å; L463-L483 HydrophobicContact CD2-CB 3.76Å; L463-L483 HydrophobicContact CD2-CD1 4.04Å; L463-L483 HydrophobicContact CG-CB 4.4Å; L463-L483 HydrophobicContact CG-CD1 4.42Å; L463-L484 HydrophobicContact CD1-CD2 3.86Å; L463-L484 HydrophobicContact CD2-CD2 4.35Å; L463-L484 HydrophobicContact CD2-CG 4.21Å; L463-T498 HydrophobicContact CD1-CG2 3.98Å; L463-A501 HydrophobicContact CB-CB 3.85Å; L463-V502 HydrophobicContact CD1-CG2 4.29Å; L463-V502 HydrophobicContact CD2-CG2 4.34Å; L463-T505 WeakPolarHBondContact O-CB 3.16Å; L463-T505 PolarHBondContact O-OG1 3.14Å
464A93.3Very high91.8Very high21 Ų2143.2 Ų43.217%0.17422%0.217CC..Hα-helixtrans-68.4-14.7-179.300000114.3N460 L461 M462 A501 T505N460-A464 WeakPolarHBondContact O-CB 3.49Å; N460-A464 PolarHBondContact O-N 2.8Å; L461-A464 PolarHBondContact O-N 2.59Å; M462-A464 PolarHBondContact O-N 2.97Å; A464-A501 HydrophobicContact CB-CB 4.03Å; A464-T505 PolarHBondContact O-OG1 3.1Å
465N93.5Very high91.6Very high11 Ų1148.1 Ų48.16%0.05924%0.24CC..Hα-helixtrans-110.62.5-179.5-77.5-81.6000114.1L432 V437 L461 M462 L463 A467 R468 M469L432-N465 HydrophobicContact CD2-CB 4.08Å; V437-N465 HydrophobicContact CG1-CB 4.23Å; V437-N465 HydrophobicContact CG2-CB 4.39Å; L461-N465 PolarHBondContact O-N 3.29Å; L461-N465 PolarHBondContact O-ND2 2.91Å; M462-N465 PolarHBondContact O-N 3.34Å; M462-N465 VanDerWaalsContact O-N 3.14Å; L463-N465 PolarHBondContact O-N 2.93Å; N465-A467 PolarHBondContact O-N 2.85Å; N465-R468 WeakPolarHBondContact O-CB 3.19Å; N465-R468 PolarHBondContact O-N 2.64Å; N465-R468 PolarHBondContact OD1-NH1 2.72Å; N465-M469 HydrophobicContact CB-CE 4.05Å; N465-M469 PolarHBondContact O-N 2.84Å
466V94.1Very high91.5Very high0 Ų047.2 Ų47.20%023%0.232CC..Hα-helixtrans-56.2-36.5179.9172.80000112.4M462 L463 R468 M469 E470 R476 R479 V480 L483 T505M462-V466 WeakPolarHBondContact O-CG2 3.45Å; M462-V466 PolarHBondContact O-N 3.07Å; L463-V466 PolarHBondContact O-N 3.15Å; V466-R468 PolarHBondContact O-N 2.9Å; V466-M469 HydrophobicContact CG2-SD 4.46Å; V466-M469 PolarHBondContact O-N 3.47Å; V466-E470 PolarHBondContact O-N 3.21Å; V466-R476 HydrophobicContact CG1-CB 4.14Å; V466-R476 HydrophobicContact CG1-CG 4.49Å; V466-R476 VanDerWaalsContact CG1-O 3.28Å; V466-R476 WeakPolarHBondContact CG1-O 2.99Å; V466-R479 HydrophobicContact CG1-CB 3.82Å; V466-R479 HydrophobicContact CG1-CG 3.93Å; V466-R479 HydrophobicContact CG2-CG 4.24Å; V466-V480 HydrophobicContact CB-CG2 4.15Å; V466-V480 HydrophobicContact CG1-CG2 4.06Å; V466-V480 HydrophobicContact CG2-CG2 4.11Å; V466-L483 HydrophobicContact CG2-CD1 3.68Å; V466-T505 HydrophobicContact CB-CG2 4.02Å; V466-T505 HydrophobicContact CG1-CG2 4.48Å
467A88.4Confident91.4Very high11 Ų1147.7 Ų47.79%0.09123%0.231CC..Hα-helixtrans-57.9-22.2177.600000113.6N465 R476 E508N465-A467 PolarHBondContact O-N 2.85Å; A467-R476 VanDerWaalsContact O-CZ 3.26Å; A467-R476 PolarHBondContact O-NE 2.94Å; A467-R476 VanDerWaalsContact O-NE 3.17Å; A467-R476 PolarHBondContact O-NH2 3.27Å; A467-E508 HydrophobicContact CB-CB 3.62Å
468R86.8Confident91.3Very high126 Ų12648.2 Ų48.248%0.47523%0.234SC..Hα-helixtrans-97.1-14.6177.4-61.7173.7178.7165.8-12.8113.6H435 V437 N465 V466H435-R468 PolarHBondContact CE1-NH1 3.49Å; H435-R468 VanDerWaalsContact CE1-NH1 3.34Å; H435-R468 PolarHBondContact ND1-NH1 3.29Å; V437-R468 HydrophobicContact CG1-CB 4.46Å; V437-R468 HydrophobicContact CG2-CB 4.29Å; N465-R468 WeakPolarHBondContact O-CB 3.19Å; N465-R468 PolarHBondContact O-N 2.64Å; N465-R468 PolarHBondContact OD1-NH1 2.72Å; V466-R468 PolarHBondContact O-N 2.9Å
469M86Confident91.2Very high44 Ų4450.1 Ų50.122%0.21724%0.241CC..Hα-helixtrans-82-42.6178.1-64.6172.9-173.700111.1L432 V437 M462 N465 V466L432-M469 HydrophobicContact CD2-CE 4.04Å; V437-M469 HydrophobicContact CG1-CE 3.52Å; V437-M469 HydrophobicContact CG1-CG 3.35Å; V437-M469 HydrophobicContact CG1-SD 4.3Å; M462-M469 HydrophobicContact CE-CE 3.73Å; M462-M469 HydrophobicContact CE-SD 4.18Å; M462-M469 HydrophobicContact SD-CE 3.66Å; N465-M469 HydrophobicContact CB-CE 4.05Å; N465-M469 PolarHBondContact O-N 2.84Å; V466-M469 HydrophobicContact CG2-SD 4.46Å; V466-M469 PolarHBondContact O-N 3.47Å
470E83.6Confident91.2Very high73 Ų7350.1 Ų50.134%0.34124%0.241SC..  trans-111.5149.2-171.7-58.8-59.3160.100112.2V466 E475 R476 R479V466-E470 PolarHBondContact O-N 3.21Å; E470-E475 HydrophobicContact CB-CB 4.31Å; E470-R476 HydrophobicContact CB-CB 4.47Å; E470-R476 HydrophobicContact CB-CG 3.63Å; E470-R476 PolarHBondContact O-NE 3.34Å; E470-R476 PolarHBondContact O-NH2 3.04Å; E470-R479 HydrophobicContact CG-CB 4.21Å; E470-R479 HydrophobicContact CG-CG 4.45Å
471R82.1Confident91.2Very high243 Ų24352.5 Ų52.592%0.91726%0.256SS*.SBendtrans-82.2-39.3-176.2-68.9-171-179.3-165.90.7114.1
472G86.6Confident91.2Very high25 Ų2555.1 Ų55.126%0.25827%0.267SS..SBendtrans-106.9149.6-175.100000113.8A474 E475 R476G472-A474 VanDerWaalsContact C-N 3.31Å; G472-A474 PolarHBondContact O-N 2.68Å; G472-E475 WeakPolarHBondContact CA-OE2 3.21Å; G472-E475 PolarHBondContact O-N 2.82Å; G472-R476 WeakPolarHBondContact O-CB 3.13Å; G472-R476 WeakPolarHBondContact O-CG 3.4Å; G472-R476 PolarHBondContact O-N 3.36Å
473N89.9Confident91.2Very high39 Ų3955.2 Ų55.221%0.20927%0.267CS..Hα-helixtrans-65.9-31.1-175.8-71.1-21.1000113.2R476 W477 M509 W512N473-R476 PolarHBondContact OD1-NH1 3.18Å; N473-W477 PolarHBondContact O-N 3.13Å; N473-M509 HydrophobicContact CB-CB 4.44Å; N473-M509 HydrophobicContact CB-SD 4.17Å; N473-M509 WeakPolarHBondContact OD1-CB 3.17Å; N473-W512 HydrophobicContact CB-CB 4.33Å; N473-W512 HydrophobicContact CB-CD2 4.37Å; N473-W512 HydrophobicContact CB-CG 3.95Å
474A86.7Confident91.2Very high54 Ų5458.1 Ų58.145%0.44628%0.283SS..Hα-helixtrans-69.2-44.1175.800000111.3G472 W477 N478G472-A474 VanDerWaalsContact C-N 3.31Å; G472-A474 PolarHBondContact O-N 2.68Å; A474-W477 PolarHBondContact O-N 3.45Å; A474-N478 VanDerWaalsContact O-CG 3.29Å; A474-N478 PolarHBondContact O-N 2.75Å; A474-N478 PolarHBondContact O-ND2 3.47Å
475E89.7Confident91.3Very high103 Ų10361.6 Ų61.648%0.48130%0.302SS..Hα-helixtrans-64.4-42.9176.8-62.978.8-176.600110.9E470 G472 W477 N478 R479E470-E475 HydrophobicContact CB-CB 4.31Å; G472-E475 WeakPolarHBondContact CA-OE2 3.21Å; G472-E475 PolarHBondContact O-N 2.82Å; E475-W477 PolarHBondContact O-N 3.3Å; E475-N478 PolarHBondContact O-N 2.75Å; E475-R479 WeakPolarHBondContact O-CB 3.31Å; E475-R479 PolarHBondContact O-N 2.79Å
476R93.3Very high91.4Very high47 Ų4761.8 Ų61.818%0.17730%0.303CS..Hα-helixtrans-57-47.9173.2-70.5166.2-177.3175.3-6.6111.5V466 A467 E470 G472 N473 R479 V480 M509V466-R476 HydrophobicContact CG1-CB 4.14Å; V466-R476 HydrophobicContact CG1-CG 4.49Å; V466-R476 VanDerWaalsContact CG1-O 3.28Å; V466-R476 WeakPolarHBondContact CG1-O 2.99Å; A467-R476 VanDerWaalsContact O-CZ 3.26Å; A467-R476 PolarHBondContact O-NE 2.94Å; A467-R476 VanDerWaalsContact O-NE 3.17Å; A467-R476 PolarHBondContact O-NH2 3.27Å; E470-R476 HydrophobicContact CB-CB 4.47Å; E470-R476 HydrophobicContact CB-CG 3.63Å; E470-R476 PolarHBondContact O-NE 3.34Å; E470-R476 PolarHBondContact O-NH2 3.04Å; G472-R476 WeakPolarHBondContact O-CB 3.13Å; G472-R476 WeakPolarHBondContact O-CG 3.4Å; G472-R476 PolarHBondContact O-N 3.36Å; N473-R476 PolarHBondContact OD1-NH1 3.18Å; R476-R479 PolarHBondContact O-N 2.76Å; R476-V480 WeakPolarHBondContact O-CG2 3.44Å; R476-V480 PolarHBondContact O-N 3.14Å; R476-M509 HydrophobicContact CB-CE 3.49Å; R476-M509 VanDerWaalsContact CB-CE 3.49Å; R476-M509 HydrophobicContact CB-CG 4.35Å; R476-M509 HydrophobicContact CB-SD 3.74Å
477W94.1Very high91.5Very high51 Ų5162 Ų6219%0.19330%0.304CS..Hα-helixtrans-64.5-42.3178.3-176.6-108.4000112.4N473 A474 E475 R479 V480 V481 V502 V506 W512 N518 V522N473-W477 PolarHBondContact O-N 3.13Å; A474-W477 PolarHBondContact O-N 3.45Å; E475-W477 PolarHBondContact O-N 3.3Å; W477-R479 VanDerWaalsContact C-N 3.29Å; W477-R479 PolarHBondContact O-N 3.05Å; W477-V480 HydrophobicContact CE3-CG1 4.46Å; W477-V480 HydrophobicContact CZ3-CG1 4.32Å; W477-V480 WeakPolarHBondContact O-CB 3.24Å; W477-V480 PolarHBondContact O-N 2.75Å; W477-V481 HydrophobicContact CZ2-CG2 4.41Å; W477-V481 WeakPolarHBondContact O-CG2 3.29Å; W477-V481 PolarHBondContact O-N 3.12Å; W477-V502 HydrophobicContact CZ3-CG1 4.18Å; W477-V506 HydrophobicContact CE3-CG2 4.08Å; W477-V506 HydrophobicContact CZ3-CG2 3.66Å; W477-W512 HydrophobicContact CB-CH2 3.75Å; W477-W512 HydrophobicContact CB-CZ2 4.19Å; W477-W512 HydrophobicContact CB-CZ3 4.46Å; W477-W512 AromaticContact CD2-CH2 3.74Å; W477-W512 HydrophobicContact CD2-CH2 3.74Å; W477-W512 HydrophobicContact CD2-CZ3 4.24Å; W477-W512 HydrophobicContact CE3-CH2 4.08Å; W477-W512 HydrophobicContact CE3-CZ3 4.08Å; W477-W512 AromaticContact CG-CH2 3.59Å; W477-W512 HydrophobicContact CG-CH2 3.59Å; W477-W512 HydrophobicContact CG-CZ2 4.29Å; W477-W512 HydrophobicContact CG-CZ3 4.41Å; W477-N518 HydrophobicContact CH2-CB 4.08Å; W477-N518 HydrophobicContact CZ2-CB 4.14Å; W477-V522 HydrophobicContact CH2-CG2 4.05Å
478N93.5Very high91.8Very high108 Ų10871.5 Ų71.558%0.57834%0.338SS*.Hα-helixtrans-60.3-40.2175.5-72.3-21.4000111.7A474 E475 V481 Q482A474-N478 VanDerWaalsContact O-CG 3.29Å; A474-N478 PolarHBondContact O-N 2.75Å; A474-N478 PolarHBondContact O-ND2 3.47Å; E475-N478 PolarHBondContact O-N 2.75Å; N478-V481 PolarHBondContact O-N 2.96Å; N478-Q482 WeakPolarHBondContact O-CB 3.47Å; N478-Q482 PolarHBondContact O-N 2.8Å
479R94.4Very high92.1Very high39 Ų3969.7 Ų69.715%0.14735%0.345CS..Hα-helixtrans-66.3-39.1176.5-174.959.3173.9173.4-2.9112.3D445 V466 E470 E475 R476 W477 Q482 L483D445-R479 IonicContact OD1-NH2 2.68Å; V466-R479 HydrophobicContact CG1-CB 3.82Å; V466-R479 HydrophobicContact CG1-CG 3.93Å; V466-R479 HydrophobicContact CG2-CG 4.24Å; E470-R479 HydrophobicContact CG-CB 4.21Å; E470-R479 HydrophobicContact CG-CG 4.45Å; E475-R479 WeakPolarHBondContact O-CB 3.31Å; E475-R479 PolarHBondContact O-N 2.79Å; R476-R479 PolarHBondContact O-N 2.76Å; W477-R479 VanDerWaalsContact C-N 3.29Å; W477-R479 PolarHBondContact O-N 3.05Å; R479-Q482 PolarHBondContact O-N 3.31Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.93Å
480V96.1Very high92.5Very high0 Ų069.7 Ų69.70%035%0.345CS..Hα-helixtrans-57.3-51171.71670000110.8L463 V466 R476 W477 Q482 L483 L484 V502 T505L463-V480 HydrophobicContact CD2-CB 4.49Å; L463-V480 HydrophobicContact CD2-CG1 4.1Å; V466-V480 HydrophobicContact CB-CG2 4.15Å; V466-V480 HydrophobicContact CG1-CG2 4.06Å; V466-V480 HydrophobicContact CG2-CG2 4.11Å; R476-V480 WeakPolarHBondContact O-CG2 3.44Å; R476-V480 PolarHBondContact O-N 3.14Å; W477-V480 HydrophobicContact CE3-CG1 4.46Å; W477-V480 HydrophobicContact CZ3-CG1 4.32Å; W477-V480 WeakPolarHBondContact O-CB 3.24Å; W477-V480 PolarHBondContact O-N 2.75Å; V480-Q482 VanDerWaalsContact C-N 3.31Å; V480-Q482 PolarHBondContact O-N 3.29Å; V480-L483 PolarHBondContact O-N 2.93Å; V480-L484 HydrophobicContact CG1-CD1 4.01Å; V480-L484 WeakPolarHBondContact O-CG 3.17Å; V480-L484 PolarHBondContact O-N 3.25Å; V480-V502 HydrophobicContact CG1-CG1 4.01Å; V480-V502 HydrophobicContact CG1-CG2 4.13Å; V480-T505 HydrophobicContact CG2-CG2 3.67Å
481V95.2Very high93Very high63 Ų6369.2 Ų69.238%0.38236%0.36SS..Hα-helixtrans-60.3-42.7179.3174.40000111W477 N478 L483 L484 V485W477-V481 HydrophobicContact CZ2-CG2 4.41Å; W477-V481 WeakPolarHBondContact O-CG2 3.29Å; W477-V481 PolarHBondContact O-N 3.12Å; N478-V481 PolarHBondContact O-N 2.96Å; V481-L483 PolarHBondContact O-N 2.9Å; V481-L484 PolarHBondContact O-N 3.5Å; V481-V485 HydrophobicContact CG1-CG2 4.38Å; V481-V485 WeakPolarHBondContact O-CG2 3.44Å; V481-V485 PolarHBondContact O-N 2.94Å
482Q95.2Very high93.5Very high100 Ų10059.9 Ų59.947%0.46733%0.328SS..Hα-helixtrans-61-43.4177.6-170.6-173.616.500112.4N478 R479 V480 V485 T486N478-Q482 WeakPolarHBondContact O-CB 3.47Å; N478-Q482 PolarHBondContact O-N 2.8Å; R479-Q482 PolarHBondContact O-N 3.31Å; V480-Q482 VanDerWaalsContact C-N 3.31Å; V480-Q482 PolarHBondContact O-N 3.29Å; Q482-V485 PolarHBondContact O-N 3.48Å; Q482-T486 WeakPolarHBondContact O-CB 3.44Å; Q482-T486 PolarHBondContact O-N 2.95Å; Q482-T486 PolarHBondContact O-OG1 3.4Å
483L96.3Very high93.8Very high1 Ų165.2 Ų65.21%0.00535%0.349CS..Hα-helixtrans-64.3-41.2177-74.6171.6000111.7F444 M462 L463 V466 R479 V480 V481 T486 M487F444-L483 HydrophobicContact CE1-CD2 4.15Å; F444-L483 HydrophobicContact CZ-CD2 4.22Å; M462-L483 HydrophobicContact CB-CD1 4.2Å; L463-L483 HydrophobicContact CD2-CB 3.76Å; L463-L483 HydrophobicContact CD2-CD1 4.04Å; L463-L483 HydrophobicContact CG-CB 4.4Å; L463-L483 HydrophobicContact CG-CD1 4.42Å; V466-L483 HydrophobicContact CG2-CD1 3.68Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.93Å; V480-L483 PolarHBondContact O-N 2.93Å; V481-L483 PolarHBondContact O-N 2.9Å; L483-T486 WeakPolarHBondContact O-CB 3.5Å; L483-T486 PolarHBondContact O-N 2.73Å; L483-M487 WeakPolarHBondContact O-CB 3.42Å; L483-M487 PolarHBondContact O-N 3.17Å
484L96.3Very high94Very high61 Ų6165.5 Ų65.532%0.31935%0.353SS..Hα-helixtrans-66.2-41.9177.4-68.8170.8000112.6L463 V480 V481 T486 M487 R488 T498 V502L463-L484 HydrophobicContact CD1-CD2 3.86Å; L463-L484 HydrophobicContact CD2-CD2 4.35Å; L463-L484 HydrophobicContact CD2-CG 4.21Å; V480-L484 HydrophobicContact CG1-CD1 4.01Å; V480-L484 WeakPolarHBondContact O-CG 3.17Å; V480-L484 PolarHBondContact O-N 3.25Å; V481-L484 PolarHBondContact O-N 3.5Å; L484-T486 VanDerWaalsContact C-N 3.27Å; L484-T486 PolarHBondContact O-N 3.46Å; L484-M487 PolarHBondContact O-N 3.39Å; L484-R488 PolarHBondContact O-N 3.43Å; L484-T498 HydrophobicContact CD2-CG2 4.25Å; L484-V502 HydrophobicContact CD1-CG2 4.11Å; L484-V502 HydrophobicContact CD2-CG2 4.25Å
485V96.2Very high94.3Very high95 Ų9565.6 Ų65.658%0.57635%0.346SS*.Hα-helixtrans-61.3-41174.4169.90000110.6V481 Q482 R488 S489V481-V485 HydrophobicContact CG1-CG2 4.38Å; V481-V485 WeakPolarHBondContact O-CG2 3.44Å; V481-V485 PolarHBondContact O-N 2.94Å; Q482-V485 PolarHBondContact O-N 3.48Å; V485-R488 PolarHBondContact O-N 3.27Å; V485-S489 PolarHBondContact O-N 2.69Å
486T94.4Very high94.5Very high14 Ų1461.8 Ų61.89%0.08633%0.33CS..Hα-helixtrans-65.4-47.7176.8-56.20000111.7Y459 Q482 L483 L484 R488 S489 D490Y459-T486 HydrophobicContact CE1-CG2 4.28Å; Y459-T486 WeakPolarHBondContact OH-CG2 3.05Å; Q482-T486 WeakPolarHBondContact O-CB 3.44Å; Q482-T486 PolarHBondContact O-N 2.95Å; Q482-T486 PolarHBondContact O-OG1 3.4Å; L483-T486 WeakPolarHBondContact O-CB 3.5Å; L483-T486 PolarHBondContact O-N 2.73Å; L484-T486 VanDerWaalsContact C-N 3.27Å; L484-T486 PolarHBondContact O-N 3.46Å; T486-R488 PolarHBondContact O-N 3.49Å; T486-S489 WeakPolarHBondContact CA-OG 3Å; T486-S489 PolarHBondContact O-N 3.37Å; T486-S489 PolarHBondContact O-OG 3.38Å; T486-D490 PolarHBondContact O-N 3.22Å
487M96.3Very high94.5Very high5 Ų562 Ų623%0.02534%0.338CS..Hα-helixtrans-56.7-38.3177.9179.6-177.9155.100111.5L456 Y459 L483 L484 D490 G491 L492 P494 T498L456-M487 HydrophobicContact CD1-CE 3.18Å; L456-M487 HydrophobicContact CD1-SD 4.11Å; Y459-M487 HydrophobicContact CD1-CB 3.89Å; Y459-M487 HydrophobicContact CD1-CG 4.39Å; Y459-M487 HydrophobicContact CD2-CB 4.35Å; Y459-M487 HydrophobicContact CD2-CG 4.16Å; Y459-M487 HydrophobicContact CE1-CB 3.95Å; Y459-M487 HydrophobicContact CE2-CB 4.4Å; Y459-M487 HydrophobicContact CG-CB 4.1Å; Y459-M487 HydrophobicContact CG-CG 4.09Å; Y459-M487 HydrophobicContact CG-SD 4.34Å; L483-M487 WeakPolarHBondContact O-CB 3.42Å; L483-M487 PolarHBondContact O-N 3.17Å; L484-M487 PolarHBondContact O-N 3.39Å; M487-D490 PolarHBondContact O-N 3.43Å; M487-G491 PolarHBondContact O-N 3.13Å; M487-L492 HydrophobicContact CE-CB 4.01Å; M487-L492 HydrophobicContact CG-CB 3.81Å; M487-L492 HydrophobicContact CG-CD1 4.17Å; M487-L492 PolarHBondContact O-N 2.86Å; M487-P494 HydrophobicContact CE-CB 3.96Å; M487-T498 HydrophobicContact CE-CG2 4.12Å; M487-T498 HydrophobicContact SD-CG2 3.97Å
488R94.6Very high94.5Very high211 Ų21159.6 Ų59.680%0.79633%0.33SS*.Hα-helixtrans-65.9-41.1173.8-177-179.8179.4176.41.7112.5L484 V485 T486 D490 G491L484-R488 PolarHBondContact O-N 3.43Å; V485-R488 PolarHBondContact O-N 3.27Å; T486-R488 PolarHBondContact O-N 3.49Å; R488-D490 PolarHBondContact O-N 3.05Å; R488-G491 PolarHBondContact O-N 2.83Å; R488-G491 VanDerWaalsContact O-N 3.12Å
489S93.8Very high94.7Very high88 Ų8855.2 Ų55.262%0.61531%0.305SS*.Hα-helixtrans-65.3-29.4177.2620000112.6V485 T486 G491V485-S489 PolarHBondContact O-N 2.69Å; T486-S489 WeakPolarHBondContact CA-OG 3Å; T486-S489 PolarHBondContact O-N 3.37Å; T486-S489 PolarHBondContact O-OG 3.38Å; S489-G491 PolarHBondContact O-N 3.29Å
490D94.1Very high94.7Very high44 Ų4453.6 Ų53.624%0.23530%0.3CS..THydrogen-bonded Turntrans-78.5-1175.8-69.9-1.7000113.1V453 Y459 T486 M487 R488 L492V453-D490 HydrophobicContact CG1-CB 3.81Å; Y459-D490 PolarHBondContact OH-OD2 3.4Å; T486-D490 PolarHBondContact O-N 3.22Å; M487-D490 PolarHBondContact O-N 3.43Å; R488-D490 PolarHBondContact O-N 3.05Å; D490-L492 VanDerWaalsContact C-N 3.34Å; D490-L492 HydrophobicContact CB-CG 4.45Å; D490-L492 PolarHBondContact O-N 3.24Å
491G93.4Very high94.6Very high63 Ų6353.9 Ų53.965%0.64930%0.302SS*.THydrogen-bonded Turntrans75.617.4176.200000114.7M487 R488 S489M487-G491 PolarHBondContact O-N 3.13Å; R488-G491 PolarHBondContact O-N 2.83Å; R488-G491 VanDerWaalsContact O-N 3.12Å; S489-G491 PolarHBondContact O-N 3.29Å
492L94.1Very high94.7Very high47 Ų4751 Ų5125%0.24629%0.285CS..PPolyproline II helixtrans-84.5136.9179.3-63.1172.8000111.5P454 Y459 M487 D490P454-L492 WeakPolarHBondContact O-CD1 3.48Å; Y459-L492 HydrophobicContact CD2-CD1 3.46Å; Y459-L492 VanDerWaalsContact CD2-CD1 3.46Å; Y459-L492 HydrophobicContact CE2-CD1 3.56Å; M487-L492 HydrophobicContact CE-CB 4.01Å; M487-L492 HydrophobicContact CG-CB 3.81Å; M487-L492 HydrophobicContact CG-CD1 4.17Å; M487-L492 PolarHBondContact O-N 2.86Å; D490-L492 VanDerWaalsContact C-N 3.34Å; D490-L492 HydrophobicContact CB-CG 4.45Å; D490-L492 PolarHBondContact O-N 3.24Å
493I92.8Very high94.7Very high137 Ų13746.3 Ų46.370%0.70326%0.263SS*.PPolyproline II helixtrans-92.5125.5179.3-57174.4000108.8
494P94.1Very high94.6Very high44 Ų4449.3 Ų49.329%0.28627%0.274SS..PPolyproline II helixtrans-67.6145.6178.128.3-34.3000111.9M487 T498 F499M487-P494 HydrophobicContact CE-CB 3.96Å; P494-T498 HydrophobicContact CB-CG2 3.96Å; P494-F499 HydrophobicContact CB-CE2 3.94Å; P494-F499 HydrophobicContact CG-CE2 4.25Å
495N93.3Very high94.5Very high56 Ų5646.4 Ų46.430%0.29926%0.259SS..  trans-120.6-178.7173.871.51.8000110.8L456 N460 S497 T498 F499L456-N495 HydrophobicContact CD2-CB 4.34Å; N460-N495 PolarHBondContact ND2-OD1 2.92Å; N495-S497 VanDerWaalsContact C-N 3.27Å; N495-S497 PolarHBondContact O-N 3.48Å; N495-S497 WeakPolarHBondContact OD1-CB 3.49Å; N495-S497 PolarHBondContact OD1-N 3.46Å; N495-T498 PolarHBondContact N-OG1 3.31Å; N495-T498 VanDerWaalsContact O-CB 3.3Å; N495-T498 WeakPolarHBondContact O-CB 3.27Å; N495-T498 PolarHBondContact O-N 2.93Å; N495-T498 PolarHBondContact OD1-N 2.87Å; N495-T498 PolarHBondContact OD1-OG1 3.25Å; N495-T498 VanDerWaalsContact OD1-OG1 3.13Å; N495-F499 WeakPolarHBondContact O-CD2 3.39Å; N495-F499 PolarHBondContact O-N 3.01Å
496V93.4Very high94.4Very high24 Ų2442 Ų4215%0.14523%0.232CC..Hα-helixtrans-52.8-44.1179.3176.90000112T498 F499 N500 M526 L531V496-T498 VanDerWaalsContact C-N 3.27Å; V496-T498 PolarHBondContact O-N 3.09Å; V496-F499 PolarHBondContact O-N 3.33Å; V496-N500 PolarHBondContact O-N 3.05Å; V496-M526 HydrophobicContact CB-CE 4.08Å; V496-M526 HydrophobicContact CG1-CE 3.79Å; V496-M526 HydrophobicContact CG2-CE 3.76Å; V496-L531 HydrophobicContact CG2-CB 4.4Å
497S92.7Very high94.3Very high50 Ų5042.7 Ų42.735%0.3523%0.234SC..Hα-helixtrans-62.8-30.7178-49.70000113.2N460 N495 A501N460-S497 WeakPolarHBondContact ND2-CB 3.48Å; N495-S497 VanDerWaalsContact C-N 3.27Å; N495-S497 PolarHBondContact O-N 3.48Å; N495-S497 WeakPolarHBondContact OD1-CB 3.49Å; N495-S497 PolarHBondContact OD1-N 3.46Å; S497-A501 WeakPolarHBondContact O-CB 3.26Å; S497-A501 PolarHBondContact O-N 2.98Å
498T95.2Very high94Very high2 Ų245 Ų451%0.01224%0.244CC..Hα-helixtrans-64.8-47.5174.4-51.30000111.5N460 L463 L484 M487 P494 N495 V496 A501 V502N460-T498 PolarHBondContact ND2-N 3.39Å; N460-T498 PolarHBondContact ND2-OG1 2.9Å; N460-T498 WeakPolarHBondContact OD1-CA 3.49Å; N460-T498 VanDerWaalsContact OD1-CB 3.26Å; N460-T498 WeakPolarHBondContact OD1-CB 3.31Å; N460-T498 WeakPolarHBondContact OD1-CG2 3.42Å; N460-T498 PolarHBondContact OD1-OG1 2.98Å; L463-T498 HydrophobicContact CD1-CG2 3.98Å; L484-T498 HydrophobicContact CD2-CG2 4.25Å; M487-T498 HydrophobicContact CE-CG2 4.12Å; M487-T498 HydrophobicContact SD-CG2 3.97Å; P494-T498 HydrophobicContact CB-CG2 3.96Å; N495-T498 PolarHBondContact N-OG1 3.31Å; N495-T498 VanDerWaalsContact O-CB 3.3Å; N495-T498 WeakPolarHBondContact O-CB 3.27Å; N495-T498 PolarHBondContact O-N 2.93Å; N495-T498 PolarHBondContact OD1-N 2.87Å; N495-T498 PolarHBondContact OD1-OG1 3.25Å; N495-T498 VanDerWaalsContact OD1-OG1 3.13Å; V496-T498 VanDerWaalsContact C-N 3.27Å; V496-T498 PolarHBondContact O-N 3.09Å; T498-A501 PolarHBondContact O-N 3.06Å; T498-V502 PolarHBondContact O-N 3.4Å
499F96.1Very high93.8Very high15 Ų1535 Ų357%0.06621%0.207CC..Hα-helixtrans-65.7-41.2176.6-71.9-85.3000111.4P494 N495 V496 A501 V502 L503 V522 E525 M526 L531P494-F499 HydrophobicContact CB-CE2 3.94Å; P494-F499 HydrophobicContact CG-CE2 4.25Å; N495-F499 WeakPolarHBondContact O-CD2 3.39Å; N495-F499 PolarHBondContact O-N 3.01Å; V496-F499 PolarHBondContact O-N 3.33Å; F499-A501 VanDerWaalsContact C-N 3.31Å; F499-A501 PolarHBondContact O-N 3.22Å; F499-V502 PolarHBondContact O-N 2.99Å; F499-L503 WeakPolarHBondContact O-CG 3.29Å; F499-L503 PolarHBondContact O-N 3.39Å; F499-V522 HydrophobicContact CD1-CG1 3.81Å; F499-E525 HydrophobicContact CE1-CB 4.27Å; F499-E525 HydrophobicContact CE1-CG 4.23Å; F499-M526 HydrophobicContact CB-CB 4.5Å; F499-M526 HydrophobicContact CB-CG 4.33Å; F499-M526 HydrophobicContact CB-SD 3.99Å; F499-M526 HydrophobicContact CD1-CB 3.75Å; F499-M526 HydrophobicContact CD1-CG 4.33Å; F499-M526 HydrophobicContact CD2-CB 4.25Å; F499-M526 HydrophobicContact CD2-CG 4.02Å; F499-M526 HydrophobicContact CE1-CB 3.97Å; F499-M526 HydrophobicContact CE2-CB 4.46Å; F499-M526 HydrophobicContact CE2-CG 4.46Å; F499-M526 HydrophobicContact CG-CB 3.91Å; F499-M526 HydrophobicContact CG-CG 3.97Å; F499-M526 HydrophobicContact CG-SD 4.28Å; F499-M526 HydrophobicContact CZ-CB 4.33Å; F499-L531 HydrophobicContact CD2-CD1 3.84Å; F499-L531 HydrophobicContact CE2-CD1 3.54Å
500N95Very high93.1Very high5 Ų540.2 Ų40.23%0.02721%0.213CC..Hα-helixtrans-60.6-39.2174.9-73.8-3.2000112.2V496 V502 L503 W504 S534 T537V496-N500 PolarHBondContact O-N 3.05Å; N500-V502 VanDerWaalsContact C-N 3.34Å; N500-V502 PolarHBondContact O-N 2.56Å; N500-L503 PolarHBondContact O-N 2.84Å; N500-W504 WeakPolarHBondContact O-CB 3.26Å; N500-W504 PolarHBondContact O-N 3.36Å; N500-S534 PolarHBondContact ND2-OG 3.12Å; N500-T537 WeakPolarHBondContact OD1-CA 3.17Å; N500-T537 WeakPolarHBondContact OD1-CB 3.22Å; N500-T537 PolarHBondContact OD1-N 3.4Å; N500-T537 PolarHBondContact OD1-OG1 3.01Å
501A94.7Very high92.3Very high7 Ų743.3 Ų43.36%0.05824%0.238CC..Hα-helixtrans-63.1-39.1176.500000112.6N460 L463 A464 S497 T498 F499 T505N460-A501 HydrophobicContact CB-CB 4.46Å; N460-A501 VanDerWaalsContact O-CB 3.27Å; N460-A501 WeakPolarHBondContact O-CB 3.47Å; L463-A501 HydrophobicContact CB-CB 3.85Å; A464-A501 HydrophobicContact CB-CB 4.03Å; S497-A501 WeakPolarHBondContact O-CB 3.26Å; S497-A501 PolarHBondContact O-N 2.98Å; T498-A501 PolarHBondContact O-N 3.06Å; F499-A501 VanDerWaalsContact C-N 3.31Å; F499-A501 PolarHBondContact O-N 3.22Å; A501-T505 PolarHBondContact O-N 2.74Å; A501-T505 VanDerWaalsContact O-N 3.1Å
502V96.6Very high92Very high3 Ų342.7 Ų42.72%0.01822%0.216CC..Hα-helixtrans-64.6-49.9174174.70000110.6L463 W477 V480 L484 T498 F499 N500 W504 T505 V506 V522L463-V502 HydrophobicContact CD1-CG2 4.29Å; L463-V502 HydrophobicContact CD2-CG2 4.34Å; W477-V502 HydrophobicContact CZ3-CG1 4.18Å; V480-V502 HydrophobicContact CG1-CG1 4.01Å; V480-V502 HydrophobicContact CG1-CG2 4.13Å; L484-V502 HydrophobicContact CD1-CG2 4.11Å; L484-V502 HydrophobicContact CD2-CG2 4.25Å; T498-V502 PolarHBondContact O-N 3.4Å; F499-V502 PolarHBondContact O-N 2.99Å; N500-V502 VanDerWaalsContact C-N 3.34Å; N500-V502 PolarHBondContact O-N 2.56Å; V502-W504 VanDerWaalsContact C-N 3.33Å; V502-W504 PolarHBondContact O-N 3.46Å; V502-T505 PolarHBondContact O-N 2.94Å; V502-V506 WeakPolarHBondContact O-CG2 2.96Å; V502-V506 PolarHBondContact O-N 3.27Å; V502-V522 HydrophobicContact CB-CG1 4.36Å; V502-V522 HydrophobicContact CG1-CG1 4.08Å; V502-V522 HydrophobicContact CG1-CG2 3.83Å
503L95.6Very high91.6Very high0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-62.8-39.5179.7-69.2173.9000112.1F499 N500 T505 V506 K507 V522 T537 C540 L541F499-L503 WeakPolarHBondContact O-CG 3.29Å; F499-L503 PolarHBondContact O-N 3.39Å; N500-L503 PolarHBondContact O-N 2.84Å; L503-T505 VanDerWaalsContact C-N 3.33Å; L503-T505 PolarHBondContact O-N 2.7Å; L503-V506 PolarHBondContact O-N 2.89Å; L503-K507 WeakPolarHBondContact O-CB 3.39Å; L503-K507 PolarHBondContact O-N 3.47Å; L503-V522 HydrophobicContact CD2-CB 4.13Å; L503-V522 HydrophobicContact CD2-CG1 3.98Å; L503-V522 HydrophobicContact CG-CG1 4.01Å; L503-T537 HydrophobicContact CD1-CG2 3.59Å; L503-C540 HydrophobicContact CB-CB 3.76Å; L503-L541 HydrophobicContact CD1-CG 4.48Å; L503-L541 HydrophobicContact CD2-CD2 4.06Å
504W93.3Very high91.4Very high64 Ų6445.3 Ų45.324%0.24223%0.227CC..Hα-helixtrans-58.4-46.3173.9177-93000111.4N500 V502 V506 K507 E508 F539 L573N500-W504 WeakPolarHBondContact O-CB 3.26Å; N500-W504 PolarHBondContact O-N 3.36Å; V502-W504 VanDerWaalsContact C-N 3.33Å; V502-W504 PolarHBondContact O-N 3.46Å; W504-V506 PolarHBondContact O-N 3.36Å; W504-K507 HydrophobicContact CE3-CD 4.24Å; W504-K507 HydrophobicContact CZ3-CD 4.34Å; W504-K507 WeakPolarHBondContact O-CB 3.28Å; W504-K507 PolarHBondContact O-N 3.48Å; W504-E508 WeakPolarHBondContact O-CG 3.37Å; W504-E508 PolarHBondContact O-N 3.45Å; W504-F539 HydrophobicContact CZ3-CE1 4.08Å; W504-L573 HydrophobicContact CD2-CD1 4.47Å; W504-L573 HydrophobicContact CE3-CD1 3.57Å; W504-L573 HydrophobicContact CE3-CD2 3.9Å; W504-L573 HydrophobicContact CE3-CG 4.4Å; W504-L573 HydrophobicContact CH2-CD2 4.03Å; W504-L573 HydrophobicContact CZ3-CD1 3.94Å; W504-L573 HydrophobicContact CZ3-CD2 3.33Å; W504-L573 HydrophobicContact CZ3-CG 4.28Å
505T94.4Very high91.3Very high0 Ų043.6 Ų43.60%022%0.216CC..Hα-helixtrans-64.7-39.4176.9-83.80000112.2L463 A464 V466 V480 A501 V502 L503 K507 E508 M509L463-T505 WeakPolarHBondContact O-CB 3.16Å; L463-T505 PolarHBondContact O-OG1 3.14Å; A464-T505 PolarHBondContact O-OG1 3.1Å; V466-T505 HydrophobicContact CB-CG2 4.02Å; V466-T505 HydrophobicContact CG1-CG2 4.48Å; V480-T505 HydrophobicContact CG2-CG2 3.67Å; A501-T505 PolarHBondContact O-N 2.74Å; A501-T505 VanDerWaalsContact O-N 3.1Å; V502-T505 PolarHBondContact O-N 2.94Å; L503-T505 VanDerWaalsContact C-N 3.33Å; L503-T505 PolarHBondContact O-N 2.7Å; T505-K507 VanDerWaalsContact C-N 3.35Å; T505-E508 PolarHBondContact O-N 3.39Å; T505-M509 HydrophobicContact CG2-CE 3.39Å; T505-M509 WeakPolarHBondContact O-CG 3.24Å; T505-M509 PolarHBondContact O-N 3.45Å
506V94.4Very high91.2Very high2 Ų242.3 Ų42.31%0.01221%0.211CC..Hα-helixtrans-63.2-41.1173.7175.90000111.2W477 V502 L503 W504 E508 M509 W512 A515 I544W477-V506 HydrophobicContact CE3-CG2 4.08Å; W477-V506 HydrophobicContact CZ3-CG2 3.66Å; V502-V506 WeakPolarHBondContact O-CG2 2.96Å; V502-V506 PolarHBondContact O-N 3.27Å; L503-V506 PolarHBondContact O-N 2.89Å; W504-V506 PolarHBondContact O-N 3.36Å; V506-E508 VanDerWaalsContact C-N 3.31Å; V506-E508 PolarHBondContact O-N 3.1Å; V506-M509 WeakPolarHBondContact O-CB 3.32Å; V506-M509 PolarHBondContact O-N 2.69Å; V506-M509 VanDerWaalsContact O-N 3.09Å; V506-W512 HydrophobicContact CG1-CE3 4.49Å; V506-A515 HydrophobicContact CG1-CB 3.63Å; V506-I544 HydrophobicContact CB-CD1 4.07Å; V506-I544 HydrophobicContact CG1-CD1 3.79Å; V506-I544 HydrophobicContact CG1-CG1 4.31Å
507K92.4Very high91.1Very high30 Ų3046.5 Ų46.513%0.1323%0.232CC..Hα-helixtrans-56.5-43.3172.5163.7-176.7170.2-75.90111.8L503 W504 T505 M509 F539 D543 I544L503-K507 WeakPolarHBondContact O-CB 3.39Å; L503-K507 PolarHBondContact O-N 3.47Å; W504-K507 HydrophobicContact CE3-CD 4.24Å; W504-K507 HydrophobicContact CZ3-CD 4.34Å; W504-K507 WeakPolarHBondContact O-CB 3.28Å; W504-K507 PolarHBondContact O-N 3.48Å; T505-K507 VanDerWaalsContact C-N 3.35Å; K507-M509 PolarHBondContact O-N 3.22Å; K507-F539 HydrophobicContact CD-CE1 4.18Å; K507-D543 HydrophobicContact CD-CB 3.91Å; K507-D543 VanDerWaalsContact CE-OD1 3.26Å; K507-D543 WeakPolarHBondContact CE-OD1 3.38Å; K507-D543 HydrophobicContact CG-CB 4.19Å; K507-D543 WeakPolarHBondContact CG-OD1 3.22Å; K507-I544 HydrophobicContact CB-CD1 4.28Å; K507-I544 HydrophobicContact CB-CG1 3.94Å
508E90.7Very high91.1Very high52 Ų5245 Ų4524%0.24322%0.22CC..Hα-helixtrans-70.9-15.8178.6-67-62.2119.100113.3A467 W504 T505 V506 R510A467-E508 HydrophobicContact CB-CB 3.62Å; W504-E508 WeakPolarHBondContact O-CG 3.37Å; W504-E508 PolarHBondContact O-N 3.45Å; T505-E508 PolarHBondContact O-N 3.39Å; V506-E508 VanDerWaalsContact C-N 3.31Å; V506-E508 PolarHBondContact O-N 3.1Å; E508-R510 PolarHBondContact O-N 3.2Å
509M89.9Confident91.1Very high2 Ų244.9 Ų44.91%0.0122%0.219CC..SBendtrans-79.952.8172.2-63.8-172.9-142.700112.5N473 R476 T505 V506 K507 W512N473-M509 HydrophobicContact CB-CB 4.44Å; N473-M509 HydrophobicContact CB-SD 4.17Å; N473-M509 WeakPolarHBondContact OD1-CB 3.17Å; R476-M509 HydrophobicContact CB-CE 3.49Å; R476-M509 VanDerWaalsContact CB-CE 3.49Å; R476-M509 HydrophobicContact CB-CG 4.35Å; R476-M509 HydrophobicContact CB-SD 3.74Å; T505-M509 HydrophobicContact CG2-CE 3.39Å; T505-M509 WeakPolarHBondContact O-CG 3.24Å; T505-M509 PolarHBondContact O-N 3.45Å; V506-M509 WeakPolarHBondContact O-CB 3.32Å; V506-M509 PolarHBondContact O-N 2.69Å; V506-M509 VanDerWaalsContact O-N 3.09Å; K507-M509 PolarHBondContact O-N 3.22Å; M509-W512 HydrophobicContact CB-CB 4.29Å; M509-W512 WeakPolarHBondContact O-CB 3.41Å; M509-W512 PolarHBondContact O-N 2.94Å; M509-W512 VanDerWaalsContact O-N 3.16Å; M509-W512 HydrophobicContact SD-CE3 4.04Å; M509-W512 HydrophobicContact SD-CZ3 4.25Å
510R80.1Confident91Very high198 Ų19846.1 Ų46.175%0.74723%0.226SC*.THydrogen-bonded Turntrans-40.2138.2-175.9-59.7-175.3-176.3-166.4-0.7113.5E508 W512E508-R510 PolarHBondContact O-N 3.2Å; R510-W512 PolarHBondContact O-N 3.43Å; R510-W512 VanDerWaalsContact O-N 3.14Å
511S76.7Confident91Very high108 Ų10851.1 Ų51.176%0.75525%0.247SC*.THydrogen-bonded Turntrans59.219177.5-46.80000115.3K513S511-K513 PolarHBondContact O-N 2.69Å
512W87.4Confident91.1Very high50 Ų5051.4 Ų51.419%0.18925%0.248CC..  trans-74.4109171.8-173.141.4000110.6N473 W477 V506 M509 R510 A514 A515 N518N473-W512 HydrophobicContact CB-CB 4.33Å; N473-W512 HydrophobicContact CB-CD2 4.37Å; N473-W512 HydrophobicContact CB-CG 3.95Å; W477-W512 HydrophobicContact CB-CH2 3.75Å; W477-W512 HydrophobicContact CB-CZ2 4.19Å; W477-W512 HydrophobicContact CB-CZ3 4.46Å; W477-W512 AromaticContact CD2-CH2 3.74Å; W477-W512 HydrophobicContact CD2-CH2 3.74Å; W477-W512 HydrophobicContact CD2-CZ3 4.24Å; W477-W512 HydrophobicContact CE3-CH2 4.08Å; W477-W512 HydrophobicContact CE3-CZ3 4.08Å; W477-W512 AromaticContact CG-CH2 3.59Å; W477-W512 HydrophobicContact CG-CH2 3.59Å; W477-W512 HydrophobicContact CG-CZ2 4.29Å; W477-W512 HydrophobicContact CG-CZ3 4.41Å; V506-W512 HydrophobicContact CG1-CE3 4.49Å; M509-W512 HydrophobicContact CB-CB 4.29Å; M509-W512 WeakPolarHBondContact O-CB 3.41Å; M509-W512 PolarHBondContact O-N 2.94Å; M509-W512 VanDerWaalsContact O-N 3.16Å; M509-W512 HydrophobicContact SD-CE3 4.04Å; M509-W512 HydrophobicContact SD-CZ3 4.25Å; R510-W512 PolarHBondContact O-N 3.43Å; R510-W512 VanDerWaalsContact O-N 3.14Å; W512-A514 HydrophobicContact CD2-CB 4.24Å; W512-A514 HydrophobicContact CH2-CB 4.41Å; W512-A514 HydrophobicContact CZ2-CB 3.88Å; W512-A514 PolarHBondContact O-N 3.12Å; W512-A515 HydrophobicContact CB-CB 4.22Å; W512-A515 HydrophobicContact CE3-CB 3.89Å; W512-A515 WeakPolarHBondContact O-CB 3.18Å; W512-A515 PolarHBondContact O-N 2.96Å; W512-N518 HydrophobicContact CH2-CB 4.49Å; W512-N518 WeakPolarHBondContact CH2-ND2 3.42Å; W512-N518 HydrophobicContact CZ3-CB 4.39Å
513K85.6Confident91Very high207 Ų20752.4 Ų52.490%0.925%0.252SS*.THydrogen-bonded Turntrans-53.1-28.8-176.9-67.3-173.9179-177.20114.6S511S511-K513 PolarHBondContact O-N 2.69Å
514A88.7Confident91Very high33 Ų3358.2 Ų58.227%0.27328%0.279SS..THydrogen-bonded Turntrans-88.7-1.9179.300000113.9W512 L517 N518W512-A514 HydrophobicContact CD2-CB 4.24Å; W512-A514 HydrophobicContact CH2-CB 4.41Å; W512-A514 HydrophobicContact CZ2-CB 3.88Å; W512-A514 PolarHBondContact O-N 3.12Å; A514-L517 PolarHBondContact O-N 2.91Å; A514-N518 PolarHBondContact O-N 3.07Å; A514-N518 PolarHBondContact O-ND2 2.85Å
515A91.5Very high91.1Very high8 Ų860.6 Ų60.67%0.06629%0.293CS..Hα-helixtrans-58.6-50.6-177.800000112.9V506 W512 L517 N518 S519 I544V506-A515 HydrophobicContact CG1-CB 3.63Å; W512-A515 HydrophobicContact CB-CB 4.22Å; W512-A515 HydrophobicContact CE3-CB 3.89Å; W512-A515 WeakPolarHBondContact O-CB 3.18Å; W512-A515 PolarHBondContact O-N 2.96Å; A515-L517 VanDerWaalsContact C-N 3.32Å; A515-L517 PolarHBondContact O-N 3.27Å; A515-N518 PolarHBondContact O-N 2.69Å; A515-S519 WeakPolarHBondContact O-CB 3.29Å; A515-S519 PolarHBondContact O-N 3.45Å; A515-S519 PolarHBondContact O-OG 2.92Å; A515-I544 HydrophobicContact CB-CG2 3.93Å
516P91.1Very high91.3Very high29 Ų2960.6 Ų60.619%0.18829%0.293CS..Hα-helixtrans-59.5-40.3-179.8-25.936.2000113.3S519 M520 I544 F545P516-S519 WeakPolarHBondContact CA-OG 3.36Å; P516-S519 PolarHBondContact O-OG 3.23Å; P516-M520 WeakPolarHBondContact O-CG 3.49Å; P516-M520 PolarHBondContact O-N 3.45Å; P516-M520 VanDerWaalsContact O-N 3.17Å; P516-I544 HydrophobicContact CG-CG2 4.34Å; P516-F545 HydrophobicContact CB-CD1 4.32Å; P516-F545 HydrophobicContact CB-CD2 4.42Å; P516-F545 HydrophobicContact CB-CE1 3.77Å; P516-F545 HydrophobicContact CB-CE2 3.91Å; P516-F545 HydrophobicContact CB-CZ 3.54Å
517L91.4Very high91.3Very high111 Ų11163.3 Ų63.358%0.58131%0.307SS*.Hα-helixtrans-65.9-46.6179179.666.5000111.3A514 A515 K521A514-L517 PolarHBondContact O-N 2.91Å; A515-L517 VanDerWaalsContact C-N 3.32Å; A515-L517 PolarHBondContact O-N 3.27Å; L517-K521 PolarHBondContact O-N 3.47Å
518N92.3Very high91.4Very high18 Ų1866.6 Ų66.610%0.09633%0.334CS..Hα-helixtrans-74-36-177.4-71-41.1000112.1W477 W512 A514 A515 M520 K521 V522W477-N518 HydrophobicContact CH2-CB 4.08Å; W477-N518 HydrophobicContact CZ2-CB 4.14Å; W512-N518 HydrophobicContact CH2-CB 4.49Å; W512-N518 WeakPolarHBondContact CH2-ND2 3.42Å; W512-N518 HydrophobicContact CZ3-CB 4.39Å; A514-N518 PolarHBondContact O-N 3.07Å; A514-N518 PolarHBondContact O-ND2 2.85Å; A515-N518 PolarHBondContact O-N 2.69Å; N518-M520 VanDerWaalsContact C-N 3.29Å; N518-M520 PolarHBondContact O-N 3.16Å; N518-K521 WeakPolarHBondContact O-CB 3.17Å; N518-K521 PolarHBondContact O-N 3.11Å; N518-V522 WeakPolarHBondContact O-CG2 3.44Å; N518-V522 PolarHBondContact O-N 3.42Å
519S94.6Very high91.5Very high0 Ų067.9 Ų67.90%035%0.345CS..Hα-helixtrans-63.5-35.6174.662.90000111.9A515 P516 V522 Y523 F545A515-S519 WeakPolarHBondContact O-CB 3.29Å; A515-S519 PolarHBondContact O-N 3.45Å; A515-S519 PolarHBondContact O-OG 2.92Å; P516-S519 WeakPolarHBondContact CA-OG 3.36Å; P516-S519 PolarHBondContact O-OG 3.23Å; S519-V522 PolarHBondContact O-N 3.07Å; S519-Y523 WeakPolarHBondContact O-CB 3.3Å; S519-Y523 PolarHBondContact O-N 3.13Å; S519-F545 WeakPolarHBondContact OG-CE2 3.32Å
520M94.2Very high91.6Very high42 Ų4270.9 Ų70.921%0.20738%0.376CS..Hα-helixtrans-69.1-33.7173.8-73.6-56.1-59.700113.5P516 N518 Y523 Q524 F545P516-M520 WeakPolarHBondContact O-CG 3.49Å; P516-M520 PolarHBondContact O-N 3.45Å; P516-M520 VanDerWaalsContact O-N 3.17Å; N518-M520 VanDerWaalsContact C-N 3.29Å; N518-M520 PolarHBondContact O-N 3.16Å; M520-Y523 HydrophobicContact CE-CD1 3.84Å; M520-Y523 HydrophobicContact CE-CE1 4.42Å; M520-Y523 PolarHBondContact O-N 3.27Å; M520-Y523 HydrophobicContact SD-CD1 4.42Å; M520-Q524 WeakPolarHBondContact O-CB 3.35Å; M520-Q524 VanDerWaalsContact O-CG 3.27Å; M520-Q524 WeakPolarHBondContact O-CG 3.22Å; M520-Q524 PolarHBondContact O-N 3.29Å; M520-F545 HydrophobicContact CG-CE2 4.08Å; M520-F545 HydrophobicContact CG-CZ 3.6Å; M520-F545 HydrophobicContact SD-CE2 4.3Å; M520-F545 HydrophobicContact SD-CZ 4.12Å
521K95.1Very high92.2Very high110 Ų11063.4 Ų63.448%0.47835%0.351SS..Hα-helixtrans-62.8-46171.6-68.8174.1-174.6169.80111.1L517 N518 Y523 Q524 E525L517-K521 PolarHBondContact O-N 3.47Å; N518-K521 WeakPolarHBondContact O-CB 3.17Å; N518-K521 PolarHBondContact O-N 3.11Å; K521-Y523 VanDerWaalsContact C-N 3.32Å; K521-Y523 PolarHBondContact O-N 2.99Å; K521-Q524 PolarHBondContact O-N 3.47Å; K521-E525 WeakPolarHBondContact O-CB 3.26Å; K521-E525 PolarHBondContact O-N 3.26Å
522V96.2Very high92.9Very high13 Ų1363.2 Ų63.28%0.07934%0.338CS..Hα-helixtrans-60-44177175.20000110.6W477 F499 V502 L503 N518 S519 E525 M526W477-V522 HydrophobicContact CH2-CG2 4.05Å; F499-V522 HydrophobicContact CD1-CG1 3.81Å; V502-V522 HydrophobicContact CB-CG1 4.36Å; V502-V522 HydrophobicContact CG1-CG1 4.08Å; V502-V522 HydrophobicContact CG1-CG2 3.83Å; L503-V522 HydrophobicContact CD2-CB 4.13Å; L503-V522 HydrophobicContact CD2-CG1 3.98Å; L503-V522 HydrophobicContact CG-CG1 4.01Å; N518-V522 WeakPolarHBondContact O-CG2 3.44Å; N518-V522 PolarHBondContact O-N 3.42Å; S519-V522 PolarHBondContact O-N 3.07Å; V522-E525 PolarHBondContact O-N 3.37Å; V522-M526 PolarHBondContact O-N 3.28Å
523Y96.1Very high93.2Very high24 Ų2461.6 Ų61.69%0.09433%0.334CS..Hα-helixtrans-62.8-43.9176177.8-106000113S519 M520 K521 E525 M526 L527 P533 T537 F538 L541S519-Y523 WeakPolarHBondContact O-CB 3.3Å; S519-Y523 PolarHBondContact O-N 3.13Å; M520-Y523 HydrophobicContact CE-CD1 3.84Å; M520-Y523 HydrophobicContact CE-CE1 4.42Å; M520-Y523 PolarHBondContact O-N 3.27Å; M520-Y523 HydrophobicContact SD-CD1 4.42Å; K521-Y523 VanDerWaalsContact C-N 3.32Å; K521-Y523 PolarHBondContact O-N 2.99Å; Y523-E525 VanDerWaalsContact C-N 3.35Å; Y523-M526 WeakPolarHBondContact O-CB 3.14Å; Y523-M526 PolarHBondContact O-N 3.02Å; Y523-L527 HydrophobicContact CD1-CD1 4.29Å; Y523-L527 HydrophobicContact CE1-CD1 3.72Å; Y523-L527 PolarHBondContact O-N 2.77Å; Y523-P533 HydrophobicContact CD2-CG 4.39Å; Y523-P533 HydrophobicContact CE2-CB 4.13Å; Y523-P533 HydrophobicContact CE2-CG 3.56Å; Y523-T537 HydrophobicContact CD2-CG2 4.43Å; Y523-F538 HydrophobicContact CE2-CE1 4.03Å; Y523-L541 HydrophobicContact CD2-CD1 3.7Å; Y523-L541 HydrophobicContact CE2-CD1 4.14Å; Y523-L541 HydrophobicContact CG-CD1 4.1Å
524Q95.6Very high93.5Very high121 Ų12152.1 Ų52.157%0.56529%0.294SS*.Hα-helixtrans-66.2-36.9176.8-74.1173.7-10.400112.5M520 K521 L527 S528M520-Q524 WeakPolarHBondContact O-CB 3.35Å; M520-Q524 VanDerWaalsContact O-CG 3.27Å; M520-Q524 WeakPolarHBondContact O-CG 3.22Å; M520-Q524 PolarHBondContact O-N 3.29Å; K521-Q524 PolarHBondContact O-N 3.47Å; Q524-L527 PolarHBondContact O-N 2.81Å; Q524-S528 PolarHBondContact O-N 3.12Å
525E95.7Very high93.8Very high114 Ų11450.9 Ų50.953%0.53328%0.283SS..Hα-helixtrans-65.8-41.7175.3-171170.9-174.600111.4F499 K521 V522 Y523 L527 S528 V529F499-E525 HydrophobicContact CE1-CB 4.27Å; F499-E525 HydrophobicContact CE1-CG 4.23Å; K521-E525 WeakPolarHBondContact O-CB 3.26Å; K521-E525 PolarHBondContact O-N 3.26Å; V522-E525 PolarHBondContact O-N 3.37Å; Y523-E525 VanDerWaalsContact C-N 3.35Å; E525-L527 VanDerWaalsContact C-N 3.31Å; E525-L527 PolarHBondContact O-N 2.84Å; E525-S528 PolarHBondContact O-N 3.02Å; E525-S528 VanDerWaalsContact O-N 3.15Å; E525-S528 PolarHBondContact O-OG 3.45Å; E525-V529 WeakPolarHBondContact O-CG2 3.48Å; E525-V529 PolarHBondContact O-N 2.98Å; E525-V529 VanDerWaalsContact O-N 3.15Å
526M96.7Very high93.8Very high1 Ų150.5 Ų50.51%0.00528%0.28CS..Hα-helixtrans-54.9-46.7173.8-175.6179.3179.800112V496 F499 V522 Y523 V529 L531 E532 P533 T537V496-M526 HydrophobicContact CB-CE 4.08Å; V496-M526 HydrophobicContact CG1-CE 3.79Å; V496-M526 HydrophobicContact CG2-CE 3.76Å; F499-M526 HydrophobicContact CB-CB 4.5Å; F499-M526 HydrophobicContact CB-CG 4.33Å; F499-M526 HydrophobicContact CB-SD 3.99Å; F499-M526 HydrophobicContact CD1-CB 3.75Å; F499-M526 HydrophobicContact CD1-CG 4.33Å; F499-M526 HydrophobicContact CD2-CB 4.25Å; F499-M526 HydrophobicContact CD2-CG 4.02Å; F499-M526 HydrophobicContact CE1-CB 3.97Å; F499-M526 HydrophobicContact CE2-CB 4.46Å; F499-M526 HydrophobicContact CE2-CG 4.46Å; F499-M526 HydrophobicContact CG-CB 3.91Å; F499-M526 HydrophobicContact CG-CG 3.97Å; F499-M526 HydrophobicContact CG-SD 4.28Å; F499-M526 HydrophobicContact CZ-CB 4.33Å; V522-M526 PolarHBondContact O-N 3.28Å; Y523-M526 WeakPolarHBondContact O-CB 3.14Å; Y523-M526 PolarHBondContact O-N 3.02Å; M526-V529 PolarHBondContact O-N 3.42Å; M526-L531 HydrophobicContact CE-CB 4.02Å; M526-L531 HydrophobicContact CG-CB 3.88Å; M526-L531 PolarHBondContact O-N 3.04Å; M526-E532 WeakPolarHBondContact CE-O 3.1Å; M526-P533 HydrophobicContact CE-CB 4.43Å; M526-P533 HydrophobicContact SD-CG 4.44Å; M526-T537 HydrophobicContact SD-CG2 4.02Å
527L95.1Very high94Very high59 Ų5949.1 Ų49.131%0.30927%0.271SS..Hα-helixtrans-67-36.8177.9-66.1179000112.7Y523 Q524 E525 V529 G530 P533Y523-L527 HydrophobicContact CD1-CD1 4.29Å; Y523-L527 HydrophobicContact CE1-CD1 3.72Å; Y523-L527 PolarHBondContact O-N 2.77Å; Q524-L527 PolarHBondContact O-N 2.81Å; E525-L527 VanDerWaalsContact C-N 3.31Å; E525-L527 PolarHBondContact O-N 2.84Å; L527-V529 VanDerWaalsContact C-N 3.28Å; L527-V529 PolarHBondContact O-N 3.21Å; L527-G530 PolarHBondContact O-N 3.21Å; L527-P533 HydrophobicContact CD2-CG 3.87Å
528S94.3Very high94.2Very high98 Ų9844 Ų4469%0.68524%0.243SC*.Hα-helixtrans-69.1-27.4-178.8800000113.1Q524 E525Q524-S528 PolarHBondContact O-N 3.12Å; E525-S528 PolarHBondContact O-N 3.02Å; E525-S528 VanDerWaalsContact O-N 3.15Å; E525-S528 PolarHBondContact O-OG 3.45Å
529V92.3Very high94.3Very high79 Ų7943.8 Ų43.848%0.47924%0.242SC..THydrogen-bonded Turntrans-79.9-7.4173.3-177.90000111.9E525 M526 L527 L531E525-V529 WeakPolarHBondContact O-CG2 3.48Å; E525-V529 PolarHBondContact O-N 2.98Å; E525-V529 VanDerWaalsContact O-N 3.15Å; M526-V529 PolarHBondContact O-N 3.42Å; L527-V529 VanDerWaalsContact C-N 3.28Å; L527-V529 PolarHBondContact O-N 3.21Å; V529-L531 HydrophobicContact CG1-CD1 4.49Å; V529-L531 HydrophobicContact CG1-CG 4.45Å
530G92Very high94.3Very high65 Ų6543.8 Ų43.867%0.6724%0.242SC*.THydrogen-bonded Turntrans82.122.5178.800000114.1L527L527-G530 PolarHBondContact O-N 3.21Å
531L93.5Very high94.4Very high41 Ų4141.8 Ų41.822%0.21523%0.232CC..PPolyproline II helixtrans-91.5129.5174.2-64.8173.8000110.3V496 F499 M526 V529V496-L531 HydrophobicContact CG2-CB 4.4Å; F499-L531 HydrophobicContact CD2-CD1 3.84Å; F499-L531 HydrophobicContact CE2-CD1 3.54Å; M526-L531 HydrophobicContact CE-CB 4.02Å; M526-L531 HydrophobicContact CG-CB 3.88Å; M526-L531 PolarHBondContact O-N 3.04Å; V529-L531 HydrophobicContact CG1-CD1 4.49Å; V529-L531 HydrophobicContact CG1-CG 4.45Å
532E91.5Very high94.3Very high104 Ų10436.5 Ų36.549%0.48621%0.209SC..PPolyproline II helixtrans-77.9131174.7-80.9-64.1155.500111M526 R561M526-E532 WeakPolarHBondContact CE-O 3.1Å; E532-R561 IonicContact OE1-NH2 3.93Å; E532-R561 PolarHBondContact OE1-NH2 2.94Å; E532-R561 IonicContact OE2-CZ 2.73Å; E532-R561 IonicContact OE2-NE 3.73Å; E532-R561 PolarHBondContact OE2-NE 2.96Å; E532-R561 IonicContact OE2-NH2 3.73Å; E532-R561 PolarHBondContact OE2-NH2 3.19Å
533P93.7Very high94.1Very high16 Ų1638.3 Ų38.310%0.10422%0.218CC..PPolyproline II helixtrans-61136.5174.7-23.434.4000112.9Y523 M526 L527 T537 F538Y523-P533 HydrophobicContact CD2-CG 4.39Å; Y523-P533 HydrophobicContact CE2-CB 4.13Å; Y523-P533 HydrophobicContact CE2-CG 3.56Å; M526-P533 HydrophobicContact CE-CB 4.43Å; M526-P533 HydrophobicContact SD-CG 4.44Å; L527-P533 HydrophobicContact CD2-CG 3.87Å; P533-T537 HydrophobicContact CB-CG2 4.07Å; P533-F538 HydrophobicContact CB-CE1 3.93Å; P533-F538 HydrophobicContact CB-CE2 3.93Å; P533-F538 HydrophobicContact CB-CZ 3.46Å; P533-F538 VanDerWaalsContact CB-CZ 3.46Å; P533-F538 HydrophobicContact CG-CE1 4.44Å; P533-F538 HydrophobicContact CG-CZ 4.09Å
534S92.9Very high94Very high8 Ų838.3 Ų38.36%0.05622%0.22CC..PPolyproline II helixtrans-85.7170.3171.561.90000111.7N500 G536 T537 F538N500-S534 PolarHBondContact ND2-OG 3.12Å; S534-G536 VanDerWaalsContact C-N 3.26Å; S534-G536 PolarHBondContact O-N 3.29Å; S534-T537 PolarHBondContact N-OG1 3.26Å; S534-T537 WeakPolarHBondContact O-CB 3.27Å; S534-T537 PolarHBondContact O-N 2.66Å; S534-T537 VanDerWaalsContact O-N 3.08Å; S534-T537 PolarHBondContact O-OG1 3.47Å; S534-T537 PolarHBondContact OG-N 2.64Å; S534-T537 PolarHBondContact OG-OG1 2.82Å; S534-F538 VanDerWaalsContact O-CD2 3.31Å; S534-F538 WeakPolarHBondContact O-CD2 3.17Å; S534-F538 PolarHBondContact O-N 3.39Å
535L93.9Very high93.8Very high8 Ų832.8 Ų32.84%0.04219%0.194CC..Hα-helixtrans-62.8-35.9174.8-56.6-179.7000111.5T537 F538 F539 L562 L567 D574 F577 F578 C610L535-T537 VanDerWaalsContact C-N 3.26Å; L535-T537 PolarHBondContact O-N 3.33Å; L535-F538 PolarHBondContact O-N 2.9Å; L535-F538 VanDerWaalsContact O-N 3.15Å; L535-F539 PolarHBondContact O-N 2.83Å; L535-L562 HydrophobicContact CD2-CD1 4.31Å; L535-L562 HydrophobicContact CD2-CD2 4.42Å; L535-L567 HydrophobicContact CD1-CD1 4.48Å; L535-L567 HydrophobicContact CD2-CD1 4.1Å; L535-L567 HydrophobicContact CD2-CD2 4.46Å; L535-D574 HydrophobicContact CB-CB 3.81Å; L535-D574 WeakPolarHBondContact CB-OD1 3.09Å; L535-D574 HydrophobicContact CD1-CB 4.18Å; L535-D574 HydrophobicContact CG-CB 4.47Å; L535-D574 PolarHBondContact N-OD1 2.99Å; L535-F577 HydrophobicContact CB-CB 3.81Å; L535-F577 HydrophobicContact CB-CD1 4.06Å; L535-F577 HydrophobicContact CB-CG 3.88Å; L535-F577 HydrophobicContact CD1-CD1 4.31Å; L535-F577 HydrophobicContact CD2-CD1 3.73Å; L535-F577 HydrophobicContact CD2-CE1 3.84Å; L535-F577 HydrophobicContact CD2-CG 4.29Å; L535-F577 HydrophobicContact CD2-CZ 4.49Å; L535-F577 HydrophobicContact CG-CD1 4.24Å; L535-F578 HydrophobicContact CD1-CE2 4.39Å; L535-C610 HydrophobicContact CD1-CB 4.27Å
536G92.2Very high93.5Very high0 Ų029.5 Ų29.50%019%0.186CC..Hα-helixtrans-62.8-31.7173.500000112.8S534 C540 D574S534-G536 VanDerWaalsContact C-N 3.26Å; S534-G536 PolarHBondContact O-N 3.29Å; G536-C540 PolarHBondContact O-N 2.61Å; G536-C540 VanDerWaalsContact O-N 3.14Å; G536-C540 PolarHBondContact O-SG 3.19Å; G536-D574 WeakPolarHBondContact CA-OD1 3.21Å; G536-D574 PolarHBondContact N-OD1 3.46Å
537T95Very high92.9Very high0 Ų038.1 Ų38.10%023%0.226CC..Hα-helixtrans-61.8-50.4172-46.40000110.1N500 L503 Y523 M526 P533 S534 L535 C540 L541N500-T537 WeakPolarHBondContact OD1-CA 3.17Å; N500-T537 WeakPolarHBondContact OD1-CB 3.22Å; N500-T537 PolarHBondContact OD1-N 3.4Å; N500-T537 PolarHBondContact OD1-OG1 3.01Å; L503-T537 HydrophobicContact CD1-CG2 3.59Å; Y523-T537 HydrophobicContact CD2-CG2 4.43Å; M526-T537 HydrophobicContact SD-CG2 4.02Å; P533-T537 HydrophobicContact CB-CG2 4.07Å; S534-T537 PolarHBondContact N-OG1 3.26Å; S534-T537 WeakPolarHBondContact O-CB 3.27Å; S534-T537 PolarHBondContact O-N 2.66Å; S534-T537 VanDerWaalsContact O-N 3.08Å; S534-T537 PolarHBondContact O-OG1 3.47Å; S534-T537 PolarHBondContact OG-N 2.64Å; S534-T537 PolarHBondContact OG-OG1 2.82Å; L535-T537 VanDerWaalsContact C-N 3.26Å; L535-T537 PolarHBondContact O-N 3.33Å; T537-C540 PolarHBondContact O-N 3.49Å; T537-L541 WeakPolarHBondContact O-CG 3.35Å; T537-L541 PolarHBondContact O-N 3.12Å; T537-L541 VanDerWaalsContact O-N 3.15Å
538F95.6Very high92.4Very high2 Ų236.7 Ų36.71%0.00922%0.221CC..Hα-helixtrans-68.3-36.9179.9-61.9-54.1000112.7Y523 P533 S534 L535 C540 L541 L542 I558 L562 F577Y523-F538 HydrophobicContact CE2-CE1 4.03Å; P533-F538 HydrophobicContact CB-CE1 3.93Å; P533-F538 HydrophobicContact CB-CE2 3.93Å; P533-F538 HydrophobicContact CB-CZ 3.46Å; P533-F538 VanDerWaalsContact CB-CZ 3.46Å; P533-F538 HydrophobicContact CG-CE1 4.44Å; P533-F538 HydrophobicContact CG-CZ 4.09Å; S534-F538 VanDerWaalsContact O-CD2 3.31Å; S534-F538 WeakPolarHBondContact O-CD2 3.17Å; S534-F538 PolarHBondContact O-N 3.39Å; L535-F538 PolarHBondContact O-N 2.9Å; L535-F538 VanDerWaalsContact O-N 3.15Å; F538-C540 VanDerWaalsContact C-N 3.35Å; F538-C540 PolarHBondContact O-N 3.16Å; F538-L541 HydrophobicContact CD1-CD1 4.4Å; F538-L541 PolarHBondContact O-N 3.49Å; F538-L542 WeakPolarHBondContact O-CB 3.33Å; F538-L542 VanDerWaalsContact O-CG 3.28Å; F538-L542 WeakPolarHBondContact O-CG 3.25Å; F538-L542 PolarHBondContact O-N 2.88Å; F538-I558 HydrophobicContact CB-CD1 4.12Å; F538-I558 HydrophobicContact CB-CG2 4.31Å; F538-I558 HydrophobicContact CD1-CB 4.45Å; F538-I558 HydrophobicContact CD1-CD1 3.88Å; F538-I558 HydrophobicContact CD1-CG1 3.6Å; F538-I558 HydrophobicContact CD1-CG2 4.11Å; F538-I558 HydrophobicContact CD2-CG2 4.26Å; F538-I558 HydrophobicContact CE1-CG1 4.03Å; F538-I558 HydrophobicContact CG-CD1 4.29Å; F538-I558 HydrophobicContact CG-CG1 4.22Å; F538-I558 HydrophobicContact CG-CG2 3.97Å; F538-L562 HydrophobicContact CD2-CD1 4.46Å; F538-L562 HydrophobicContact CE2-CD2 3.98Å; F538-F577 HydrophobicContact CB-CD2 3.63Å; F538-F577 HydrophobicContact CB-CE2 3.35Å; F538-F577 HydrophobicContact CB-CZ 4.32Å; F538-F577 HydrophobicContact CD2-CE2 4.35Å; F538-F577 HydrophobicContact CG-CE2 4.19Å
539F94.6Very high92Very high14 Ų1438.8 Ų38.86%0.06123%0.23CC..Hα-helixtrans-55-50.3173.2168.3-100.8000111.3W504 K507 L535 L541 L542 D543 L573 L576 F577 K580W504-F539 HydrophobicContact CZ3-CE1 4.08Å; K507-F539 HydrophobicContact CD-CE1 4.18Å; L535-F539 PolarHBondContact O-N 2.83Å; F539-L541 VanDerWaalsContact C-N 3.34Å; F539-L541 PolarHBondContact O-N 3.26Å; F539-L542 PolarHBondContact O-N 3.02Å; F539-D543 PolarHBondContact O-N 3.32Å; F539-L573 HydrophobicContact CD1-CB 4.35Å; F539-L573 HydrophobicContact CE1-CD2 4.36Å; F539-L576 HydrophobicContact CD2-CB 3.62Å; F539-L576 WeakPolarHBondContact CD2-O 3.22Å; F539-L576 HydrophobicContact CE1-CD1 4.35Å; F539-L576 HydrophobicContact CE2-CB 3.53Å; F539-L576 HydrophobicContact CE2-CD1 4.18Å; F539-L576 HydrophobicContact CE2-CG 4.44Å; F539-L576 HydrophobicContact CG-CB 4.2Å; F539-L576 HydrophobicContact CZ-CB 4.04Å; F539-L576 HydrophobicContact CZ-CD1 3.87Å; F539-F577 HydrophobicContact CB-CB 4.3Å; F539-K580 HydrophobicContact CD2-CB 3.77Å; F539-K580 HydrophobicContact CD2-CG 4.02Å; F539-K580 HydrophobicContact CE2-CB 3.94Å; F539-K580 HydrophobicContact CE2-CD 4.43Å; F539-K580 HydrophobicContact CE2-CG 4.05Å
540C94.4Very high91.8Very high0 Ų039.8 Ų39.80%023%0.232CC..Hα-helixtrans-61.5-41.6177.9-72.20000112.1L503 G536 T537 F538 D543 I544L503-C540 HydrophobicContact CB-CB 3.76Å; G536-C540 PolarHBondContact O-N 2.61Å; G536-C540 VanDerWaalsContact O-N 3.14Å; G536-C540 PolarHBondContact O-SG 3.19Å; T537-C540 PolarHBondContact O-N 3.49Å; F538-C540 VanDerWaalsContact C-N 3.35Å; F538-C540 PolarHBondContact O-N 3.16Å; C540-D543 PolarHBondContact O-N 2.91Å; C540-I544 WeakPolarHBondContact O-CD1 3.42Å; C540-I544 WeakPolarHBondContact O-CG1 3.49Å; C540-I544 PolarHBondContact O-N 3.01Å
541L95.2Very high91.6Very high0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-63.6-45.8177.3-69.4172.8000111.9L503 Y523 T537 F538 F539 D543 I544 F545 L554L503-L541 HydrophobicContact CD1-CG 4.48Å; L503-L541 HydrophobicContact CD2-CD2 4.06Å; Y523-L541 HydrophobicContact CD2-CD1 3.7Å; Y523-L541 HydrophobicContact CE2-CD1 4.14Å; Y523-L541 HydrophobicContact CG-CD1 4.1Å; T537-L541 WeakPolarHBondContact O-CG 3.35Å; T537-L541 PolarHBondContact O-N 3.12Å; T537-L541 VanDerWaalsContact O-N 3.15Å; F538-L541 HydrophobicContact CD1-CD1 4.4Å; F538-L541 PolarHBondContact O-N 3.49Å; F539-L541 VanDerWaalsContact C-N 3.34Å; F539-L541 PolarHBondContact O-N 3.26Å; L541-D543 VanDerWaalsContact C-N 3.29Å; L541-D543 PolarHBondContact O-N 3.41Å; L541-I544 PolarHBondContact O-N 3.26Å; L541-F545 WeakPolarHBondContact O-CB 3.43Å; L541-F545 VanDerWaalsContact O-CD2 3.29Å; L541-F545 WeakPolarHBondContact O-CD2 3.34Å; L541-F545 PolarHBondContact O-N 2.81Å; L541-L554 HydrophobicContact CB-CD2 4.13Å
542L94.2Very high91.3Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-60-39.9177.4-72.5166.2000111.9F538 F539 F545 A546 L551 V555 I558 F577 K580 M581 C584F538-L542 WeakPolarHBondContact O-CB 3.33Å; F538-L542 VanDerWaalsContact O-CG 3.28Å; F538-L542 WeakPolarHBondContact O-CG 3.25Å; F538-L542 PolarHBondContact O-N 2.88Å; F539-L542 PolarHBondContact O-N 3.02Å; L542-F545 PolarHBondContact O-N 3.16Å; L542-A546 PolarHBondContact O-N 2.92Å; L542-A546 VanDerWaalsContact O-N 3.09Å; L542-L551 HydrophobicContact CD2-CD1 4.18Å; L542-V555 HydrophobicContact CD2-CG2 3.82Å; L542-I558 HydrophobicContact CD1-CD1 4.43Å; L542-I558 HydrophobicContact CD2-CD1 3.97Å; L542-I558 HydrophobicContact CG-CD1 4Å; L542-F577 HydrophobicContact CD1-CD2 4.06Å; L542-F577 HydrophobicContact CD1-CE2 3.82Å; L542-K580 HydrophobicContact CB-CG 4.01Å; L542-M581 HydrophobicContact CD1-CB 3.77Å; L542-M581 HydrophobicContact CD1-CG 4.13Å; L542-C584 HydrophobicContact CD2-CB 4.28Å
543D92.4Very high91.2Very high51 Ų5137.2 Ų37.227%0.27321%0.212SC..Hα-helixtrans-68.4-42.3177.5-154.1-104.5000112.3K507 F539 C540 L541 F545 A546 K580K507-D543 HydrophobicContact CD-CB 3.91Å; K507-D543 VanDerWaalsContact CE-OD1 3.26Å; K507-D543 WeakPolarHBondContact CE-OD1 3.38Å; K507-D543 HydrophobicContact CG-CB 4.19Å; K507-D543 WeakPolarHBondContact CG-OD1 3.22Å; F539-D543 PolarHBondContact O-N 3.32Å; C540-D543 PolarHBondContact O-N 2.91Å; L541-D543 VanDerWaalsContact C-N 3.29Å; L541-D543 PolarHBondContact O-N 3.41Å; D543-F545 VanDerWaalsContact C-N 3.31Å; D543-F545 PolarHBondContact O-N 3.02Å; D543-A546 WeakPolarHBondContact O-CB 3.32Å; D543-A546 PolarHBondContact O-N 3.22Å; D543-K580 VanDerWaalsContact OD2-CE 3.27Å; D543-K580 WeakPolarHBondContact OD2-CE 3.47Å; D543-K580 IonicContact OD2-NZ 3.85Å; D543-K580 PolarHBondContact OD2-NZ 3.1Å
544I93.1Very high91Very high24 Ų2437 Ų3712%0.12321%0.21CC..Hα-helixtrans-63.2-37.3176.4-68.7162.3000111.7V506 K507 A515 P516 C540 L541V506-I544 HydrophobicContact CB-CD1 4.07Å; V506-I544 HydrophobicContact CG1-CD1 3.79Å; V506-I544 HydrophobicContact CG1-CG1 4.31Å; K507-I544 HydrophobicContact CB-CD1 4.28Å; K507-I544 HydrophobicContact CB-CG1 3.94Å; A515-I544 HydrophobicContact CB-CG2 3.93Å; P516-I544 HydrophobicContact CG-CG2 4.34Å; C540-I544 WeakPolarHBondContact O-CD1 3.42Å; C540-I544 WeakPolarHBondContact O-CG1 3.49Å; C540-I544 PolarHBondContact O-N 3.01Å; L541-I544 PolarHBondContact O-N 3.26Å
545F92Very high91Very high5 Ų536.6 Ų36.62%0.02221%0.207CC..THydrogen-bonded Turntrans-90.31.6-177.7-82.3-103.1000114.1P516 S519 M520 L541 L542 D543 E547 S548 L550 L551 L554P516-F545 HydrophobicContact CB-CD1 4.32Å; P516-F545 HydrophobicContact CB-CD2 4.42Å; P516-F545 HydrophobicContact CB-CE1 3.77Å; P516-F545 HydrophobicContact CB-CE2 3.91Å; P516-F545 HydrophobicContact CB-CZ 3.54Å; S519-F545 WeakPolarHBondContact OG-CE2 3.32Å; M520-F545 HydrophobicContact CG-CE2 4.08Å; M520-F545 HydrophobicContact CG-CZ 3.6Å; M520-F545 HydrophobicContact SD-CE2 4.3Å; M520-F545 HydrophobicContact SD-CZ 4.12Å; L541-F545 WeakPolarHBondContact O-CB 3.43Å; L541-F545 VanDerWaalsContact O-CD2 3.29Å; L541-F545 WeakPolarHBondContact O-CD2 3.34Å; L541-F545 PolarHBondContact O-N 2.81Å; L542-F545 PolarHBondContact O-N 3.16Å; D543-F545 VanDerWaalsContact C-N 3.31Å; D543-F545 PolarHBondContact O-N 3.02Å; F545-E547 PolarHBondContact O-N 3.4Å; F545-E547 VanDerWaalsContact O-N 3.09Å; F545-S548 VanDerWaalsContact O-CB 3.28Å; F545-S548 WeakPolarHBondContact O-CB 3.39Å; F545-S548 PolarHBondContact O-N 2.83Å; F545-L550 HydrophobicContact CD1-CB 4.02Å; F545-L550 HydrophobicContact CE1-CB 3.92Å; F545-L550 HydrophobicContact CE1-CD1 4.18Å; F545-L551 HydrophobicContact CB-CD1 4.12Å; F545-L554 HydrophobicContact CB-CD2 3.71Å; F545-L554 HydrophobicContact CD1-CD2 4.27Å; F545-L554 HydrophobicContact CD2-CD2 3.79Å; F545-L554 HydrophobicContact CE2-CD2 4.46Å; F545-L554 HydrophobicContact CG-CD2 3.67Å
546A89.1Confident90.9Very high44 Ų4436.7 Ų36.736%0.36421%0.21SC..THydrogen-bonded Turntrans-55.7-33.9-172.400000114L542 D543L542-A546 PolarHBondContact O-N 2.92Å; L542-A546 VanDerWaalsContact O-N 3.09Å; D543-A546 WeakPolarHBondContact O-CB 3.32Å; D543-A546 PolarHBondContact O-N 3.22Å
547E84.2Confident90.9Very high182 Ų18241.1 Ų41.185%0.8523%0.231SC*.THydrogen-bonded Turntrans-102.48177.3-62.2178.7-178.300113F545F545-E547 PolarHBondContact O-N 3.4Å; F545-E547 VanDerWaalsContact O-N 3.09Å
548S85.4Confident90.9Very high30 Ų3041.3 Ų41.321%0.2123%0.232CC..SBendtrans-89.7142.4-178.2-1740000111.6F545 L550 L551F545-S548 VanDerWaalsContact O-CB 3.28Å; F545-S548 WeakPolarHBondContact O-CB 3.39Å; F545-S548 PolarHBondContact O-N 2.83Å; S548-L550 PolarHBondContact O-N 3.32Å; S548-L550 VanDerWaalsContact O-N 3.09Å; S548-L550 PolarHBondContact OG-N 2.78Å; S548-L551 WeakPolarHBondContact O-CB 3.19Å; S548-L551 PolarHBondContact O-N 3.47Å
549T85.7Confident90.8Very high141 Ų14141.2 Ų41.287%0.86523%0.231SC*.THydrogen-bonded Turntrans-63.9-11170.256.20000113.7
550L86.9Confident90.8Very high100 Ų10046.8 Ų46.852%0.52426%0.258SS..THydrogen-bonded Turntrans-92.61.4179.9-61.7175.4000113.5F545 S548 D552 S553 L554F545-L550 HydrophobicContact CD1-CB 4.02Å; F545-L550 HydrophobicContact CE1-CB 3.92Å; F545-L550 HydrophobicContact CE1-CD1 4.18Å; S548-L550 PolarHBondContact O-N 3.32Å; S548-L550 VanDerWaalsContact O-N 3.09Å; S548-L550 PolarHBondContact OG-N 2.78Å; L550-D552 VanDerWaalsContact C-N 3.35Å; L550-D552 PolarHBondContact O-N 3.35Å; L550-S553 PolarHBondContact O-N 3.34Å; L550-L554 PolarHBondContact O-N 3.49Å; L550-L554 VanDerWaalsContact O-N 3.11Å
551L89.1Confident90.8Very high9 Ų949.9 Ų49.95%0.04727%0.27CS..Hα-helixtrans-57.1-44.2-175.2-177.558.9000112.7L542 F545 S548 S553 L554 V555 C584 A588L542-L551 HydrophobicContact CD2-CD1 4.18Å; F545-L551 HydrophobicContact CB-CD1 4.12Å; S548-L551 WeakPolarHBondContact O-CB 3.19Å; S548-L551 PolarHBondContact O-N 3.47Å; L551-S553 PolarHBondContact O-N 2.93Å; L551-L554 WeakPolarHBondContact O-CB 3.4Å; L551-L554 PolarHBondContact O-N 3.22Å; L551-L554 VanDerWaalsContact O-N 3.14Å; L551-V555 HydrophobicContact CD1-CG2 4.19Å; L551-V555 HydrophobicContact CG-CG2 4.38Å; L551-V555 WeakPolarHBondContact O-CG2 3.45Å; L551-V555 PolarHBondContact O-N 3.19Å; L551-C584 HydrophobicContact CD1-CB 4.06Å; L551-C584 HydrophobicContact CD2-CB 4Å; L551-C584 HydrophobicContact CG-CB 4.35Å; L551-A588 HydrophobicContact CD2-CB 4.15Å
552D86.2Confident90.8Very high78 Ų7850.5 Ų50.542%0.41727%0.273SS..Hα-helixtrans-60.1-44.3179.9-75.3-25.8000112.7L550 L554 V555 G556 A588L550-D552 VanDerWaalsContact C-N 3.35Å; L550-D552 PolarHBondContact O-N 3.35Å; D552-L554 VanDerWaalsContact C-N 3.3Å; D552-L554 PolarHBondContact O-N 3.3Å; D552-V555 PolarHBondContact O-N 2.99Å; D552-G556 PolarHBondContact O-N 3.4Å; D552-A588 WeakPolarHBondContact OD1-CB 3.25Å
553S88.4Confident90.8Very high69 Ų6953.1 Ų53.148%0.48329%0.285SS..Hα-helixtrans-64.4-38.3177.7-176.30000111.3L550 L551 Q557L550-S553 PolarHBondContact O-N 3.34Å; L551-S553 PolarHBondContact O-N 2.93Å; S553-Q557 VanDerWaalsContact O-CG 3.31Å; S553-Q557 WeakPolarHBondContact O-CG 3.36Å; S553-Q557 PolarHBondContact O-N 3.24Å; S553-Q557 VanDerWaalsContact O-N 3.08Å; S553-Q557 PolarHBondContact O-NE2 3.42Å; S553-Q557 PolarHBondContact OG-NE2 2.56Å
554L91.2Very high90.8Very high11 Ų1156.8 Ų56.86%0.05831%0.305CS..Hα-helixtrans-65.8-47.4176.3177.664.8000111.2L541 F545 L550 L551 D552 G556 Q557 I558L541-L554 HydrophobicContact CB-CD2 4.13Å; F545-L554 HydrophobicContact CB-CD2 3.71Å; F545-L554 HydrophobicContact CD1-CD2 4.27Å; F545-L554 HydrophobicContact CD2-CD2 3.79Å; F545-L554 HydrophobicContact CE2-CD2 4.46Å; F545-L554 HydrophobicContact CG-CD2 3.67Å; L550-L554 PolarHBondContact O-N 3.49Å; L550-L554 VanDerWaalsContact O-N 3.11Å; L551-L554 WeakPolarHBondContact O-CB 3.4Å; L551-L554 PolarHBondContact O-N 3.22Å; L551-L554 VanDerWaalsContact O-N 3.14Å; D552-L554 VanDerWaalsContact C-N 3.3Å; D552-L554 PolarHBondContact O-N 3.3Å; L554-G556 VanDerWaalsContact C-N 3.32Å; L554-G556 PolarHBondContact O-N 2.95Å; L554-Q557 PolarHBondContact O-N 3.14Å; L554-I558 HydrophobicContact CD1-CD1 3.93Å; L554-I558 HydrophobicContact CD1-CG1 4.22Å; L554-I558 HydrophobicContact CD2-CD1 4.48Å; L554-I558 HydrophobicContact CG-CD1 3.8Å; L554-I558 HydrophobicContact CG-CG1 4.47Å; L554-I558 VanDerWaalsContact O-CG1 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.37Å; L554-I558 PolarHBondContact O-N 3.41Å
555V91.9Very high90.8Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-57.4-47.3177.21720000110.2L542 L551 D552 Q557 I558 V559 M581 C584 M594 I598L542-V555 HydrophobicContact CD2-CG2 3.82Å; L551-V555 HydrophobicContact CD1-CG2 4.19Å; L551-V555 HydrophobicContact CG-CG2 4.38Å; L551-V555 WeakPolarHBondContact O-CG2 3.45Å; L551-V555 PolarHBondContact O-N 3.19Å; D552-V555 PolarHBondContact O-N 2.99Å; V555-Q557 PolarHBondContact O-N 3.48Å; V555-I558 PolarHBondContact O-N 3.14Å; V555-V559 HydrophobicContact CG1-CG2 4.38Å; V555-V559 WeakPolarHBondContact O-CG2 3.5Å; V555-V559 PolarHBondContact O-N 2.97Å; V555-M581 HydrophobicContact CG1-CE 4.45Å; V555-C584 HydrophobicContact CG2-CB 4.44Å; V555-M594 HydrophobicContact CG1-CG 3.97Å; V555-M594 HydrophobicContact CG1-SD 4.18Å; V555-I598 HydrophobicContact CG1-CD1 4.13Å
556G91.4Very high90.7Very high11 Ų1166.3 Ų66.311%0.11334%0.343CS..Hα-helixtrans-57.2-46.717700000113.3D552 L554 I558 V559 E560D552-G556 PolarHBondContact O-N 3.4Å; L554-G556 VanDerWaalsContact C-N 3.32Å; L554-G556 PolarHBondContact O-N 2.95Å; G556-I558 VanDerWaalsContact C-N 3.34Å; G556-I558 PolarHBondContact O-N 2.8Å; G556-V559 PolarHBondContact O-N 3.5Å; G556-E560 WeakPolarHBondContact O-CG 3.34Å; G556-E560 PolarHBondContact O-N 2.9Å
557Q92.3Very high90.9Very high93 Ų9365.5 Ų65.544%0.43533%0.332SS..Hα-helixtrans-63.6-37.7177.5-73.6172.95800112.9S553 L554 V555 R561S553-Q557 VanDerWaalsContact O-CG 3.31Å; S553-Q557 WeakPolarHBondContact O-CG 3.36Å; S553-Q557 PolarHBondContact O-N 3.24Å; S553-Q557 VanDerWaalsContact O-N 3.08Å; S553-Q557 PolarHBondContact O-NE2 3.42Å; S553-Q557 PolarHBondContact OG-NE2 2.56Å; L554-Q557 PolarHBondContact O-N 3.14Å; V555-Q557 PolarHBondContact O-N 3.48Å; Q557-R561 PolarHBondContact O-N 3.43Å
558I94.7Very high90.9Very high3 Ų364.5 Ų64.52%0.01533%0.325CS..Hα-helixtrans-66.9-47.1176.9-65.7168.3000109.8F538 L542 L554 V555 G556 E560 R561 L562 F577 M581F538-I558 HydrophobicContact CB-CD1 4.12Å; F538-I558 HydrophobicContact CB-CG2 4.31Å; F538-I558 HydrophobicContact CD1-CB 4.45Å; F538-I558 HydrophobicContact CD1-CD1 3.88Å; F538-I558 HydrophobicContact CD1-CG1 3.6Å; F538-I558 HydrophobicContact CD1-CG2 4.11Å; F538-I558 HydrophobicContact CD2-CG2 4.26Å; F538-I558 HydrophobicContact CE1-CG1 4.03Å; F538-I558 HydrophobicContact CG-CD1 4.29Å; F538-I558 HydrophobicContact CG-CG1 4.22Å; F538-I558 HydrophobicContact CG-CG2 3.97Å; L542-I558 HydrophobicContact CD1-CD1 4.43Å; L542-I558 HydrophobicContact CD2-CD1 3.97Å; L542-I558 HydrophobicContact CG-CD1 4Å; L554-I558 HydrophobicContact CD1-CD1 3.93Å; L554-I558 HydrophobicContact CD1-CG1 4.22Å; L554-I558 HydrophobicContact CD2-CD1 4.48Å; L554-I558 HydrophobicContact CG-CD1 3.8Å; L554-I558 HydrophobicContact CG-CG1 4.47Å; L554-I558 VanDerWaalsContact O-CG1 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.37Å; L554-I558 PolarHBondContact O-N 3.41Å; V555-I558 PolarHBondContact O-N 3.14Å; G556-I558 VanDerWaalsContact C-N 3.34Å; G556-I558 PolarHBondContact O-N 2.8Å; I558-E560 PolarHBondContact O-N 3.24Å; I558-R561 PolarHBondContact O-N 3.1Å; I558-L562 HydrophobicContact CG2-CD1 3.73Å; I558-L562 HydrophobicContact CG2-CG 4.32Å; I558-L562 WeakPolarHBondContact O-CG 3.45Å; I558-L562 PolarHBondContact O-N 3.31Å; I558-L562 VanDerWaalsContact O-N 3.1Å; I558-F577 HydrophobicContact CG2-CE2 4.02Å; I558-F577 HydrophobicContact CG2-CZ 3.83Å; I558-M581 HydrophobicContact CB-CE 4.1Å; I558-M581 HydrophobicContact CG2-CE 3.65Å; I558-M581 HydrophobicContact CG2-SD 4.5Å
559V94.8Very high90.8Very high0 Ų067 Ų670%034%0.335CS..Hα-helixtrans-57.7-49.9177.6173.60000110.9V555 G556 R561 L562 E563 M581 M594 R597 I598 V601V555-V559 HydrophobicContact CG1-CG2 4.38Å; V555-V559 WeakPolarHBondContact O-CG2 3.5Å; V555-V559 PolarHBondContact O-N 2.97Å; G556-V559 PolarHBondContact O-N 3.5Å; V559-R561 PolarHBondContact O-N 2.92Å; V559-L562 PolarHBondContact O-N 3.22Å; V559-E563 HydrophobicContact CG1-CG 3.9Å; V559-E563 WeakPolarHBondContact CG1-OE1 3.16Å; V559-E563 WeakPolarHBondContact O-CG 3.46Å; V559-E563 PolarHBondContact O-N 3.23Å; V559-M581 HydrophobicContact CB-CE 4.36Å; V559-M581 HydrophobicContact CG2-CE 3.26Å; V559-M594 HydrophobicContact CB-SD 4.43Å; V559-M594 HydrophobicContact CG2-SD 3.9Å; V559-R597 HydrophobicContact CG1-CB 3.89Å; V559-I598 HydrophobicContact CG2-CD1 4.49Å; V559-I598 HydrophobicContact CG2-CG1 3.66Å; V559-V601 HydrophobicContact CG1-CG2 4.46Å
560E94.6Very high90.6Very high132 Ų13266.8 Ų66.862%0.61732%0.324SS*.Hα-helixtrans-57.5-33.7178.9-76.9177.7-176.100112.9G556 I558G556-E560 WeakPolarHBondContact O-CG 3.34Å; G556-E560 PolarHBondContact O-N 2.9Å; I558-E560 PolarHBondContact O-N 3.24Å
561R94.5Very high90.1Very high65 Ų6564 Ų6425%0.24531%0.31CS..Hα-helixtrans-75.3-31.9178.4-163.6177-174.1100.93.6112.9E532 Q557 I558 V559 R565E532-R561 IonicContact OE1-NH2 3.93Å; E532-R561 PolarHBondContact OE1-NH2 2.94Å; E532-R561 IonicContact OE2-CZ 2.73Å; E532-R561 IonicContact OE2-NE 3.73Å; E532-R561 PolarHBondContact OE2-NE 2.96Å; E532-R561 IonicContact OE2-NH2 3.73Å; E532-R561 PolarHBondContact OE2-NH2 3.19Å; Q557-R561 PolarHBondContact O-N 3.43Å; I558-R561 PolarHBondContact O-N 3.1Å; V559-R561 PolarHBondContact O-N 2.92Å; R561-R565 WeakPolarHBondContact O-CD 3.4Å; R561-R565 PolarHBondContact O-NE 3.4Å
562L95.4Very high89.3Confident12 Ų1270.9 Ų70.96%0.06335%0.347CS..Hα-helixtrans-95-20.6-174.5-61-179.7000113.8L535 F538 I558 V559 N564 R565 L567 F577 V601L535-L562 HydrophobicContact CD2-CD1 4.31Å; L535-L562 HydrophobicContact CD2-CD2 4.42Å; F538-L562 HydrophobicContact CD2-CD1 4.46Å; F538-L562 HydrophobicContact CE2-CD2 3.98Å; I558-L562 HydrophobicContact CG2-CD1 3.73Å; I558-L562 HydrophobicContact CG2-CG 4.32Å; I558-L562 WeakPolarHBondContact O-CG 3.45Å; I558-L562 PolarHBondContact O-N 3.31Å; I558-L562 VanDerWaalsContact O-N 3.1Å; V559-L562 PolarHBondContact O-N 3.22Å; L562-N564 PolarHBondContact O-N 3.3Å; L562-R565 PolarHBondContact O-N 3.04Å; L562-L567 HydrophobicContact CD2-CD2 3.83Å; L562-F577 HydrophobicContact CD1-CE1 3.7Å; L562-F577 HydrophobicContact CD1-CZ 3.45Å; L562-F577 VanDerWaalsContact CD1-CZ 3.45Å; L562-V601 HydrophobicContact CB-CG1 3.81Å; L562-V601 HydrophobicContact CB-CG2 4.47Å
563E93.9Very high88.9Confident55 Ų5568.6 Ų68.626%0.25733%0.334SS..THydrogen-bonded Turntrans-54.3135.4179.4-90177.4166.900112.6V559 R565 R597 V601V559-E563 HydrophobicContact CG1-CG 3.9Å; V559-E563 WeakPolarHBondContact CG1-OE1 3.16Å; V559-E563 WeakPolarHBondContact O-CG 3.46Å; V559-E563 PolarHBondContact O-N 3.23Å; E563-R565 PolarHBondContact O-N 3.05Å; E563-R597 VanDerWaalsContact CD-NH2 3.28Å; E563-R597 IonicContact OE1-CZ 2.88Å; E563-R597 IonicContact OE1-NE 3.07Å; E563-R597 PolarHBondContact OE1-NE 3.44Å; E563-R597 IonicContact OE1-NH2 3.74Å; E563-R597 PolarHBondContact OE1-NH2 3.37Å; E563-R597 VanDerWaalsContact OE1-NH2 3.1Å; E563-R597 IonicContact OE2-CZ 3.7Å; E563-R597 IonicContact OE2-NE 2.71Å; E563-R597 IonicContact OE2-NH2 3.51Å; E563-R597 PolarHBondContact OE2-NH2 3.02Å; E563-V601 HydrophobicContact CG-CG2 3.8Å
564N91.9Very high88.8Confident129 Ų12965.3 Ų65.369%0.6931%0.312SS*.THydrogen-bonded Turntrans59.724179.6-52.5-58000115.1L562 F604L562-N564 PolarHBondContact O-N 3.3Å; N564-F604 HydrophobicContact CB-CE2 4.32Å; N564-F604 WeakPolarHBondContact O-CZ 3.5Å
565R92.3Very high88.4Confident133 Ų13365.9 Ų65.950%0.50231%0.314SS..  trans-116.8142.7175.9-61.5-171.5-178.7-157.20.7111.9R561 L562 E563 F604 N607R561-R565 WeakPolarHBondContact O-CD 3.4Å; R561-R565 PolarHBondContact O-NE 3.4Å; L562-R565 PolarHBondContact O-N 3.04Å; E563-R565 PolarHBondContact O-N 3.05Å; R565-F604 VanDerWaalsContact C-CD1 3.46Å; R565-F604 VanDerWaalsContact C-CE1 3.45Å; R565-F604 WeakPolarHBondContact O-CD1 3.43Å; R565-N607 PolarHBondContact O-ND2 3.43Å
566E91.3Very high88Confident96 Ų9667.6 Ų67.645%0.44932%0.323SS..  trans-85.2127.4171.3-168.2170.4173.300109.2F604 R605 N607E566-F604 HydrophobicContact CB-CE1 4.41Å; E566-R605 HydrophobicContact CG-CB 4.45Å; E566-R605 VanDerWaalsContact OE2-CD 3.25Å; E566-R605 WeakPolarHBondContact OE2-CD 3.41Å; E566-R605 IonicContact OE2-CZ 3.4Å; E566-R605 IonicContact OE2-NH1 3.33Å; E566-R605 PolarHBondContact OE2-NH1 3.08Å; E566-N607 WeakPolarHBondContact CA-OD1 3.33Å
567L92Very high88.2Confident26 Ų2667 Ų6714%0.13632%0.317CS..  trans-100.9151.3-171-54.9174.9000110.5L535 L562 F578 V601 N607L535-L567 HydrophobicContact CD1-CD1 4.48Å; L535-L567 HydrophobicContact CD2-CD1 4.1Å; L535-L567 HydrophobicContact CD2-CD2 4.46Å; L562-L567 HydrophobicContact CD2-CD2 3.83Å; L567-F578 HydrophobicContact CD1-CE2 4.03Å; L567-F578 HydrophobicContact CD1-CZ 3.64Å; L567-V601 HydrophobicContact CD1-CG1 4.27Å; L567-N607 HydrophobicContact CD1-CB 4.31Å; L567-N607 PolarHBondContact N-OD1 2.93Å
568K84.8Confident88.3Confident162 Ų16262.6 Ų62.670%0.70430%0.297SS*.  trans-126.3144176-68.1-176.3-179.5178.50109.4
569I83.9Confident88.2Confident81 Ų8162.9 Ų62.942%0.41530%0.298SS..  trans-82120.3171-55.8-179.1000107.7D574 T612I569-D574 WeakPolarHBondContact CA-OD2 3.4Å; I569-D574 HydrophobicContact CG2-CB 4.14Å; I569-T612 HydrophobicContact CD1-CG2 3.27Å
570E81Confident88.2Confident138 Ų13864.2 Ų64.265%0.64530%0.304SS*.  trans-119.8-26.1179.5-60.9-173.9173.300111.8D574E570-D574 PolarHBondContact N-OD2 2.75Å
571D75.9Confident88.2Confident41 Ų4158 Ų5822%0.21928%0.275CS..SBendtrans-131.6151.8-177.3-165.2-75.5000111.6L573 D574D571-L573 PolarHBondContact O-N 2.93Å; D571-L573 VanDerWaalsContact OD1-CB 3.31Å; D571-L573 WeakPolarHBondContact OD1-CB 3.32Å; D571-L573 VanDerWaalsContact OD1-CG 3.29Å; D571-L573 WeakPolarHBondContact OD1-CG 3.21Å; D571-L573 PolarHBondContact OD1-N 3.23Å; D571-D574 PolarHBondContact N-OD2 3.3Å; D571-D574 WeakPolarHBondContact O-CB 3.34Å; D571-D574 VanDerWaalsContact O-CG 3.25Å; D571-D574 PolarHBondContact O-N 3.14Å
572N73.5Confident88.2Confident154 Ų15454.9 Ų54.982%0.82426%0.263SS*.G310 helixtrans-62.1-25.2176.1-65.8-25.1000112.5D574N572-D574 VanDerWaalsContact C-N 3.27Å
573L78Confident88.1Confident29 Ų2958 Ų5815%0.15228%0.278CS..G310 helixtrans-74-17.3176.9-62.8178.8000113.2W504 F539 D571 E575 L576W504-L573 HydrophobicContact CD2-CD1 4.47Å; W504-L573 HydrophobicContact CE3-CD1 3.57Å; W504-L573 HydrophobicContact CE3-CD2 3.9Å; W504-L573 HydrophobicContact CE3-CG 4.4Å; W504-L573 HydrophobicContact CH2-CD2 4.03Å; W504-L573 HydrophobicContact CZ3-CD1 3.94Å; W504-L573 HydrophobicContact CZ3-CD2 3.33Å; W504-L573 HydrophobicContact CZ3-CG 4.28Å; F539-L573 HydrophobicContact CD1-CB 4.35Å; F539-L573 HydrophobicContact CE1-CD2 4.36Å; D571-L573 PolarHBondContact O-N 2.93Å; D571-L573 VanDerWaalsContact OD1-CB 3.31Å; D571-L573 WeakPolarHBondContact OD1-CB 3.32Å; D571-L573 VanDerWaalsContact OD1-CG 3.29Å; D571-L573 WeakPolarHBondContact OD1-CG 3.21Å; D571-L573 PolarHBondContact OD1-N 3.23Å; L573-E575 PolarHBondContact O-N 3.01Å; L573-L576 WeakPolarHBondContact O-CB 3.37Å; L573-L576 PolarHBondContact O-N 3.41Å
574D86.1Confident88Confident1 Ų155.5 Ų55.51%0.00527%0.266CS..G310 helixtrans-61.3-31.5-179.6-65.2-12.6000111.8L535 G536 I569 E570 D571 N572 L576 F577L535-D574 HydrophobicContact CB-CB 3.81Å; L535-D574 WeakPolarHBondContact CB-OD1 3.09Å; L535-D574 HydrophobicContact CD1-CB 4.18Å; L535-D574 HydrophobicContact CG-CB 4.47Å; L535-D574 PolarHBondContact N-OD1 2.99Å; G536-D574 WeakPolarHBondContact CA-OD1 3.21Å; G536-D574 PolarHBondContact N-OD1 3.46Å; I569-D574 WeakPolarHBondContact CA-OD2 3.4Å; I569-D574 HydrophobicContact CG2-CB 4.14Å; E570-D574 PolarHBondContact N-OD2 2.75Å; D571-D574 PolarHBondContact N-OD2 3.3Å; D571-D574 WeakPolarHBondContact O-CB 3.34Å; D571-D574 VanDerWaalsContact O-CG 3.25Å; D571-D574 PolarHBondContact O-N 3.14Å; N572-D574 VanDerWaalsContact C-N 3.27Å; D574-L576 PolarHBondContact O-N 3.21Å; D574-F577 WeakPolarHBondContact O-CB 3.47Å; D574-F577 PolarHBondContact O-N 3.44Å
575E81.7Confident88Confident22 Ų2249.5 Ų49.510%0.10323%0.234CC..G310 helixtrans-54.3-35.5174.1172.1166.7170.300112.6T393 L573 T612 S613 A616T393-E575 WeakPolarHBondContact CG2-OE1 3.39Å; L573-E575 PolarHBondContact O-N 3.01Å; E575-T612 WeakPolarHBondContact CB-OG1 3.41Å; E575-T612 WeakPolarHBondContact CG-OG1 3.46Å; E575-T612 PolarHBondContact OE2-OG1 2.95Å; E575-S613 WeakPolarHBondContact OE1-CB 3.42Å; E575-S613 PolarHBondContact OE1-OG 3.49Å; E575-A616 HydrophobicContact CG-CB 4.24Å
576L85.1Confident87.8Confident36 Ų3643.5 Ų43.519%0.18821%0.213CC..G310 helixtrans-88.3-10.5-173.4-72.4177.7000113.8L395 F539 L573 D574 K580L395-L576 HydrophobicContact CD1-CD2 3.41Å; L395-L576 VanDerWaalsContact CD1-CD2 3.41Å; L395-L576 HydrophobicContact CD2-CD1 4.18Å; L395-L576 HydrophobicContact CD2-CD2 3.29Å; L395-L576 HydrophobicContact CD2-CG 3.95Å; L395-L576 HydrophobicContact CG-CD2 3.93Å; F539-L576 HydrophobicContact CD2-CB 3.62Å; F539-L576 WeakPolarHBondContact CD2-O 3.22Å; F539-L576 HydrophobicContact CE1-CD1 4.35Å; F539-L576 HydrophobicContact CE2-CB 3.53Å; F539-L576 HydrophobicContact CE2-CD1 4.18Å; F539-L576 HydrophobicContact CE2-CG 4.44Å; F539-L576 HydrophobicContact CG-CB 4.2Å; F539-L576 HydrophobicContact CZ-CB 4.04Å; F539-L576 HydrophobicContact CZ-CD1 3.87Å; L573-L576 WeakPolarHBondContact O-CB 3.37Å; L573-L576 PolarHBondContact O-N 3.41Å; D574-L576 PolarHBondContact O-N 3.21Å; L576-K580 VanDerWaalsContact O-CB 3.29Å; L576-K580 WeakPolarHBondContact O-CB 3.37Å; L576-K580 PolarHBondContact O-N 3.31Å
577F93.7Very high87.5Confident0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-62.5-57.2-173.6166.5-106.8000112.4L535 F538 F539 L542 I558 L562 D574 K580 M581L535-F577 HydrophobicContact CB-CB 3.81Å; L535-F577 HydrophobicContact CB-CD1 4.06Å; L535-F577 HydrophobicContact CB-CG 3.88Å; L535-F577 HydrophobicContact CD1-CD1 4.31Å; L535-F577 HydrophobicContact CD2-CD1 3.73Å; L535-F577 HydrophobicContact CD2-CE1 3.84Å; L535-F577 HydrophobicContact CD2-CG 4.29Å; L535-F577 HydrophobicContact CD2-CZ 4.49Å; L535-F577 HydrophobicContact CG-CD1 4.24Å; F538-F577 HydrophobicContact CB-CD2 3.63Å; F538-F577 HydrophobicContact CB-CE2 3.35Å; F538-F577 HydrophobicContact CB-CZ 4.32Å; F538-F577 HydrophobicContact CD2-CE2 4.35Å; F538-F577 HydrophobicContact CG-CE2 4.19Å; F539-F577 HydrophobicContact CB-CB 4.3Å; L542-F577 HydrophobicContact CD1-CD2 4.06Å; L542-F577 HydrophobicContact CD1-CE2 3.82Å; I558-F577 HydrophobicContact CG2-CE2 4.02Å; I558-F577 HydrophobicContact CG2-CZ 3.83Å; L562-F577 HydrophobicContact CD1-CE1 3.7Å; L562-F577 HydrophobicContact CD1-CZ 3.45Å; L562-F577 VanDerWaalsContact CD1-CZ 3.45Å; D574-F577 WeakPolarHBondContact O-CB 3.47Å; D574-F577 PolarHBondContact O-N 3.44Å; F577-K580 PolarHBondContact O-N 2.98Å; F577-M581 HydrophobicContact CE1-SD 3.89Å; F577-M581 HydrophobicContact CE2-CB 4.27Å; F577-M581 HydrophobicContact CE2-CG 4.46Å; F577-M581 HydrophobicContact CE2-SD 4.05Å; F577-M581 HydrophobicContact CZ-CB 4.33Å; F577-M581 HydrophobicContact CZ-CE 4.24Å; F577-M581 HydrophobicContact CZ-CG 4.3Å; F577-M581 HydrophobicContact CZ-SD 3.35Å; F577-M581 WeakPolarHBondContact CZ-SD 3.34Å; F577-M581 WeakPolarHBondContact O-CB 3.3Å; F577-M581 PolarHBondContact O-N 3.34Å
578F95.2Very high86.7Confident0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-61.2-47.9-175.9-81-74.6000113L535 L567 K580 M581 M582 V601 L602 C610 L611 Y620L535-F578 HydrophobicContact CD1-CE2 4.39Å; L567-F578 HydrophobicContact CD1-CE2 4.03Å; L567-F578 HydrophobicContact CD1-CZ 3.64Å; F578-K580 VanDerWaalsContact C-N 3.31Å; F578-K580 PolarHBondContact O-N 3.49Å; F578-M581 PolarHBondContact O-N 3.31Å; F578-M582 PolarHBondContact O-N 2.99Å; F578-V601 HydrophobicContact CE1-CG1 4.12Å; F578-V601 HydrophobicContact CZ-CG1 4.23Å; F578-L602 HydrophobicContact CD1-CB 4.24Å; F578-L602 HydrophobicContact CD1-CD1 3.95Å; F578-L602 HydrophobicContact CD2-CD1 3.94Å; F578-L602 HydrophobicContact CE1-CB 3.89Å; F578-L602 HydrophobicContact CE1-CD1 3.92Å; F578-L602 HydrophobicContact CE2-CD1 3.92Å; F578-L602 HydrophobicContact CG-CD1 3.95Å; F578-L602 HydrophobicContact CZ-CB 4.41Å; F578-L602 HydrophobicContact CZ-CD1 3.9Å; F578-C610 HydrophobicContact CD2-CB 3.82Å; F578-C610 HydrophobicContact CE2-CB 3.57Å; F578-L611 HydrophobicContact CB-CD2 3.88Å; F578-Y620 HydrophobicContact CB-CD2 3.92Å; F578-Y620 HydrophobicContact CB-CE2 4.13Å; F578-Y620 HydrophobicContact CD1-CE2 4.21Å; F578-Y620 WeakPolarHBondContact O-CD2 3.47Å
579P93.6Very high85.9Confident8 Ų843.3 Ų43.35%0.05222%0.223CC..Hα-helixtrans-56.1-45.6175.4-24.533000112.1Q583 L611 A616 L619P579-Q583 VanDerWaalsContact O-CB 3.32Å; P579-Q583 WeakPolarHBondContact O-CB 3.46Å; P579-Q583 PolarHBondContact O-N 3.17Å; P579-L611 HydrophobicContact CG-CD2 4.14Å; P579-A616 HydrophobicContact CG-CB 3.73Å; P579-A616 WeakPolarHBondContact CG-O 3.24Å; P579-L619 HydrophobicContact CB-CB 4.06Å
580K93.4Very high84.9Confident28 Ų2841 Ų4112%0.12222%0.216CC..Hα-helixtrans-65.9-41.1179.3-173.469.4-171.4-164.90112.1F539 L542 D543 L576 F577 F578 Q583 C584F539-K580 HydrophobicContact CD2-CB 3.77Å; F539-K580 HydrophobicContact CD2-CG 4.02Å; F539-K580 HydrophobicContact CE2-CB 3.94Å; F539-K580 HydrophobicContact CE2-CD 4.43Å; F539-K580 HydrophobicContact CE2-CG 4.05Å; L542-K580 HydrophobicContact CB-CG 4.01Å; D543-K580 VanDerWaalsContact OD2-CE 3.27Å; D543-K580 WeakPolarHBondContact OD2-CE 3.47Å; D543-K580 IonicContact OD2-NZ 3.85Å; D543-K580 PolarHBondContact OD2-NZ 3.1Å; L576-K580 VanDerWaalsContact O-CB 3.29Å; L576-K580 WeakPolarHBondContact O-CB 3.37Å; L576-K580 PolarHBondContact O-N 3.31Å; F577-K580 PolarHBondContact O-N 2.98Å; F578-K580 VanDerWaalsContact C-N 3.31Å; F578-K580 PolarHBondContact O-N 3.49Å; K580-Q583 PolarHBondContact O-N 2.92Å; K580-C584 WeakPolarHBondContact O-CB 3.41Å; K580-C584 PolarHBondContact O-N 2.85Å; K580-C584 PolarHBondContact O-SG 3.41Å; K580-C584 VanDerWaalsContact O-SG 3.37Å
581M94.9Very high84.7Confident1 Ų136.2 Ų36.21%0.00520%0.204CC..Hα-helixtrans-61.6-47.1178.8-170.8-176-163.300111.7L542 V555 I558 V559 F577 F578 C584 C585 I598L542-M581 HydrophobicContact CD1-CB 3.77Å; L542-M581 HydrophobicContact CD1-CG 4.13Å; V555-M581 HydrophobicContact CG1-CE 4.45Å; I558-M581 HydrophobicContact CB-CE 4.1Å; I558-M581 HydrophobicContact CG2-CE 3.65Å; I558-M581 HydrophobicContact CG2-SD 4.5Å; V559-M581 HydrophobicContact CB-CE 4.36Å; V559-M581 HydrophobicContact CG2-CE 3.26Å; F577-M581 HydrophobicContact CE1-SD 3.89Å; F577-M581 HydrophobicContact CE2-CB 4.27Å; F577-M581 HydrophobicContact CE2-CG 4.46Å; F577-M581 HydrophobicContact CE2-SD 4.05Å; F577-M581 HydrophobicContact CZ-CB 4.33Å; F577-M581 HydrophobicContact CZ-CE 4.24Å; F577-M581 HydrophobicContact CZ-CG 4.3Å; F577-M581 HydrophobicContact CZ-SD 3.35Å; F577-M581 WeakPolarHBondContact CZ-SD 3.34Å; F577-M581 WeakPolarHBondContact O-CB 3.3Å; F577-M581 PolarHBondContact O-N 3.34Å; F578-M581 PolarHBondContact O-N 3.31Å; M581-C584 PolarHBondContact O-N 3.5Å; M581-C585 WeakPolarHBondContact O-CB 3.45Å; M581-C585 PolarHBondContact O-N 3.41Å; M581-I598 HydrophobicContact CE-CD1 4.34Å; M581-I598 HydrophobicContact CE-CG1 3.94Å; M581-I598 HydrophobicContact CG-CD1 4.11Å; M581-I598 HydrophobicContact CG-CG1 4.43Å; M581-I598 HydrophobicContact CG-CG2 4.28Å; M581-I598 HydrophobicContact SD-CD1 4.47Å; M581-I598 HydrophobicContact SD-CG1 4.14Å; M581-I598 HydrophobicContact SD-CG2 3.82Å
582M95.4Very high85.4Confident0 Ų035.7 Ų35.70%020%0.202CC..Hα-helixtrans-68.2-37.8177.5-171.257.169.700111.8F578 C585 C586 A595 I598 Y620 Y624F578-M582 PolarHBondContact O-N 2.99Å; M582-C585 WeakPolarHBondContact O-CB 3.46Å; M582-C585 PolarHBondContact O-N 3.49Å; M582-C586 WeakPolarHBondContact O-CB 3.47Å; M582-C586 PolarHBondContact O-N 2.9Å; M582-A595 HydrophobicContact SD-CB 4.1Å; M582-I598 HydrophobicContact CE-CB 3.79Å; M582-I598 HydrophobicContact CE-CG2 3.6Å; M582-Y620 HydrophobicContact CB-CD2 3.67Å; M582-Y620 HydrophobicContact CB-CE2 3.73Å; M582-Y620 HydrophobicContact CE-CE1 4.33Å; M582-Y620 HydrophobicContact CE-CE2 3.69Å; M582-Y620 VanDerWaalsContact CE-OH 3.3Å; M582-Y620 WeakPolarHBondContact CE-OH 3.41Å; M582-Y620 HydrophobicContact CG-CD2 4.28Å; M582-Y620 HydrophobicContact CG-CE2 4.22Å; M582-Y620 WeakPolarHBondContact CG-O 3.36Å; M582-Y624 HydrophobicContact CE-CD2 3.59Å; M582-Y624 HydrophobicContact CE-CG 4.28Å; M582-Y624 HydrophobicContact SD-CD2 3.94Å; M582-Y624 HydrophobicContact SD-CG 4.45Å
583Q93.1Very high86.3Confident78 Ų7835.9 Ų35.936%0.36420%0.197SC..Hα-helixtrans-59.4-50.1173.2-170.6-161-15.700111.1P579 K580 C585 C586 D587P579-Q583 VanDerWaalsContact O-CB 3.32Å; P579-Q583 WeakPolarHBondContact O-CB 3.46Å; P579-Q583 PolarHBondContact O-N 3.17Å; K580-Q583 PolarHBondContact O-N 2.92Å; Q583-C585 VanDerWaalsContact C-N 3.31Å; Q583-C585 PolarHBondContact O-N 3.23Å; Q583-C586 WeakPolarHBondContact O-CB 3.39Å; Q583-C586 PolarHBondContact O-N 2.97Å; Q583-C586 VanDerWaalsContact O-N 3.12Å; Q583-D587 PolarHBondContact NE2-OD2 3.48Å; Q583-D587 VanDerWaalsContact NE2-OD2 3.16Å; Q583-D587 WeakPolarHBondContact O-CB 3.24Å; Q583-D587 PolarHBondContact O-N 3.27Å
584C91.6Very high87Confident3 Ų336 Ų362%0.0220%0.198CC..Hα-helixtrans-59.5-40.4177.4-760000112.2L542 L551 V555 K580 M581 C586 D587 A588L542-C584 HydrophobicContact CD2-CB 4.28Å; L551-C584 HydrophobicContact CD1-CB 4.06Å; L551-C584 HydrophobicContact CD2-CB 4Å; L551-C584 HydrophobicContact CG-CB 4.35Å; V555-C584 HydrophobicContact CG2-CB 4.44Å; K580-C584 WeakPolarHBondContact O-CB 3.41Å; K580-C584 PolarHBondContact O-N 2.85Å; K580-C584 PolarHBondContact O-SG 3.41Å; K580-C584 VanDerWaalsContact O-SG 3.37Å; M581-C584 PolarHBondContact O-N 3.5Å; C584-C586 VanDerWaalsContact C-N 3.35Å; C584-D587 PolarHBondContact O-N 3.19Å; C584-A588 VanDerWaalsContact O-CB 3.24Å; C584-A588 WeakPolarHBondContact O-CB 2.92Å; C584-A588 PolarHBondContact O-N 3.33Å
585C91.5Very high87.4Confident2 Ų236 Ų361%0.01420%0.197CC..Hα-helixtrans-61.2-42.8174.1-175.10000112.1M581 M582 Q583 M589 A590 I598M581-C585 WeakPolarHBondContact O-CB 3.45Å; M581-C585 PolarHBondContact O-N 3.41Å; M582-C585 WeakPolarHBondContact O-CB 3.46Å; M582-C585 PolarHBondContact O-N 3.49Å; Q583-C585 VanDerWaalsContact C-N 3.31Å; Q583-C585 PolarHBondContact O-N 3.23Å; C585-M589 PolarHBondContact O-N 3.21Å; C585-A590 PolarHBondContact O-N 3.49Å; C585-I598 HydrophobicContact CB-CD1 3.64Å
586C89Confident88.1Confident7 Ų736.8 Ų36.85%0.04720%0.203CC..Hα-helixtrans-66.8-42.9177.6-176.60000112.2M582 Q583 C584 M589 M626 S627M582-C586 WeakPolarHBondContact O-CB 3.47Å; M582-C586 PolarHBondContact O-N 2.9Å; Q583-C586 WeakPolarHBondContact O-CB 3.39Å; Q583-C586 PolarHBondContact O-N 2.97Å; Q583-C586 VanDerWaalsContact O-N 3.12Å; C584-C586 VanDerWaalsContact C-N 3.35Å; C586-M589 PolarHBondContact O-N 3.32Å; C586-M626 VanDerWaalsContact SG-CG 3.6Å; C586-S627 WeakPolarHBondContact CA-OG 3.39Å; C586-S627 VanDerWaalsContact CB-OG 3.25Å; C586-S627 WeakPolarHBondContact CB-OG 3.25Å
587D83.1Confident88.6Confident91 Ų9138 Ų3849%0.48720%0.204SC..Hα-helixtrans-73.3-35.5-176.3-71.3-20.3000111.7Q583 C584 M589Q583-D587 PolarHBondContact NE2-OD2 3.48Å; Q583-D587 VanDerWaalsContact NE2-OD2 3.16Å; Q583-D587 WeakPolarHBondContact O-CB 3.24Å; Q583-D587 PolarHBondContact O-N 3.27Å; C584-D587 PolarHBondContact O-N 3.19Å; D587-M589 PolarHBondContact O-N 2.94Å
588A75.7Confident88.7Confident30 Ų3038 Ų3825%0.24820%0.204CC..THydrogen-bonded Turntrans-75.9-6.6176.800000113.8L551 D552 C584 A590L551-A588 HydrophobicContact CD2-CB 4.15Å; D552-A588 WeakPolarHBondContact OD1-CB 3.25Å; C584-A588 VanDerWaalsContact O-CB 3.24Å; C584-A588 WeakPolarHBondContact O-CB 2.92Å; C584-A588 PolarHBondContact O-N 3.33Å; A588-A590 PolarHBondContact O-N 2.88Å
589M68.6Low88.7Confident159 Ų15938.3 Ų38.378%0.78321%0.206SC*.THydrogen-bonded Turntrans53.436.3-171.8-59.6-165.8-75.100112.7C585 C586 D587 G591C585-M589 PolarHBondContact O-N 3.21Å; C586-M589 PolarHBondContact O-N 3.32Å; D587-M589 PolarHBondContact O-N 2.94Å; M589-G591 PolarHBondContact O-N 2.97Å
590A63.1Low88.7Confident32 Ų3242.6 Ų42.626%0.26423%0.229SC..  trans-655.6-176.400000114.8C585 A588 M594C585-A590 PolarHBondContact O-N 3.49Å; A588-A590 PolarHBondContact O-N 2.88Å; A590-M594 HydrophobicContact CB-CB 4.17Å; A590-M594 HydrophobicContact CB-CG 4.3Å
591G75.8Confident88.9Confident38 Ų3841.4 Ų41.439%0.39222%0.224SC..Hα-helixtrans84.4157.8176.300000114.4M589 E593 M594 A595M589-G591 PolarHBondContact O-N 2.97Å; G591-E593 PolarHBondContact O-N 3.06Å; G591-M594 PolarHBondContact O-N 2.74Å; G591-A595 PolarHBondContact O-N 3.33Å
592L90.9Very high88.8Confident31 Ų3141.3 Ų41.316%0.16222%0.223CC..Hα-helixtrans-58.9-32.3178.9176.258.9000112.9A595 N596 V628 V633L592-A595 PolarHBondContact O-N 3.05Å; L592-N596 PolarHBondContact O-N 2.86Å; L592-N596 PolarHBondContact O-ND2 3.48Å; L592-V628 HydrophobicContact CD1-CB 4.34Å; L592-V628 HydrophobicContact CD1-CG2 3.7Å; L592-V633 HydrophobicContact CD2-CG1 3.98Å
593E91.8Very high88.6Confident157 Ų15745.4 Ų45.473%0.73424%0.242SC*.Hα-helixtrans-62.1-45.6179.7-171.9175.9-17900111.7G591 N596 R597G591-E593 PolarHBondContact O-N 3.06Å; E593-N596 PolarHBondContact O-N 3.44Å; E593-R597 WeakPolarHBondContact O-CG 3.2Å; E593-R597 PolarHBondContact O-N 3.05Å
594M93.6Very high88.5Confident32 Ų3244.2 Ų44.216%0.15824%0.236CC..Hα-helixtrans-65.6-42178-170.161.469.600111.4V555 V559 A590 G591 N596 R597 I598V555-M594 HydrophobicContact CG1-CG 3.97Å; V555-M594 HydrophobicContact CG1-SD 4.18Å; V559-M594 HydrophobicContact CB-SD 4.43Å; V559-M594 HydrophobicContact CG2-SD 3.9Å; A590-M594 HydrophobicContact CB-CB 4.17Å; A590-M594 HydrophobicContact CB-CG 4.3Å; G591-M594 PolarHBondContact O-N 2.74Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.12Å; M594-R597 PolarHBondContact O-N 3.26Å; M594-R597 VanDerWaalsContact O-N 3.16Å; M594-I598 HydrophobicContact CG-CD1 4.21Å; M594-I598 WeakPolarHBondContact O-CG1 3.46Å; M594-I598 PolarHBondContact O-N 3.19Å
595A94.9Very high88.2Confident0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-58.2-42175.200000111.6M582 G591 L592 I598 N599 Y624M582-A595 HydrophobicContact SD-CB 4.1Å; G591-A595 PolarHBondContact O-N 3.33Å; L592-A595 PolarHBondContact O-N 3.05Å; A595-I598 PolarHBondContact O-N 3.27Å; A595-N599 PolarHBondContact O-N 3.02Å; A595-Y624 HydrophobicContact CB-CD2 4.07Å; A595-Y624 HydrophobicContact CB-CE2 4.11Å
596N95.2Very high87.9Confident40 Ų4058.3 Ų58.321%0.21429%0.289CS..Hα-helixtrans-66.1-40175.5-76.4-25.1000112.7L592 E593 M594 I598 N599 N600 Y624L592-N596 PolarHBondContact O-N 2.86Å; L592-N596 PolarHBondContact O-ND2 3.48Å; E593-N596 PolarHBondContact O-N 3.44Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.12Å; N596-I598 VanDerWaalsContact C-N 3.35Å; N596-I598 PolarHBondContact O-N 3.42Å; N596-N599 PolarHBondContact O-N 3.49Å; N596-N600 PolarHBondContact O-N 2.97Å; N596-N600 PolarHBondContact O-ND2 3.07Å; N596-N600 PolarHBondContact O-OD1 3.24Å; N596-Y624 PolarHBondContact OD1-OH 3.15Å
597R95.7Very high88.1Confident60 Ų6058 Ų5823%0.22629%0.286CS..Hα-helixtrans-61.3-43.2174.3-69.517967.8-167.42.2111.7V559 E563 E593 M594 N599 N600 V601V559-R597 HydrophobicContact CG1-CB 3.89Å; E563-R597 VanDerWaalsContact CD-NH2 3.28Å; E563-R597 IonicContact OE1-CZ 2.88Å; E563-R597 IonicContact OE1-NE 3.07Å; E563-R597 PolarHBondContact OE1-NE 3.44Å; E563-R597 IonicContact OE1-NH2 3.74Å; E563-R597 PolarHBondContact OE1-NH2 3.37Å; E563-R597 VanDerWaalsContact OE1-NH2 3.1Å; E563-R597 IonicContact OE2-CZ 3.7Å; E563-R597 IonicContact OE2-NE 2.71Å; E563-R597 IonicContact OE2-NH2 3.51Å; E563-R597 PolarHBondContact OE2-NH2 3.02Å; E593-R597 WeakPolarHBondContact O-CG 3.2Å; E593-R597 PolarHBondContact O-N 3.05Å; M594-R597 PolarHBondContact O-N 3.26Å; M594-R597 VanDerWaalsContact O-N 3.16Å; R597-N599 VanDerWaalsContact C-N 3.34Å; R597-N599 PolarHBondContact O-N 3.34Å; R597-N600 WeakPolarHBondContact O-CB 3.22Å; R597-N600 PolarHBondContact O-N 3.14Å; R597-V601 WeakPolarHBondContact O-CG2 3.41Å; R597-V601 PolarHBondContact O-N 3.44Å
598I95.8Very high88.3Confident0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-62.8-41.2175.4-62.8164.1000110.9V555 V559 M581 M582 C585 M594 A595 N596 N600 V601 L602 Y620V555-I598 HydrophobicContact CG1-CD1 4.13Å; V559-I598 HydrophobicContact CG2-CD1 4.49Å; V559-I598 HydrophobicContact CG2-CG1 3.66Å; M581-I598 HydrophobicContact CE-CD1 4.34Å; M581-I598 HydrophobicContact CE-CG1 3.94Å; M581-I598 HydrophobicContact CG-CD1 4.11Å; M581-I598 HydrophobicContact CG-CG1 4.43Å; M581-I598 HydrophobicContact CG-CG2 4.28Å; M581-I598 HydrophobicContact SD-CD1 4.47Å; M581-I598 HydrophobicContact SD-CG1 4.14Å; M581-I598 HydrophobicContact SD-CG2 3.82Å; M582-I598 HydrophobicContact CE-CB 3.79Å; M582-I598 HydrophobicContact CE-CG2 3.6Å; C585-I598 HydrophobicContact CB-CD1 3.64Å; M594-I598 HydrophobicContact CG-CD1 4.21Å; M594-I598 WeakPolarHBondContact O-CG1 3.46Å; M594-I598 PolarHBondContact O-N 3.19Å; A595-I598 PolarHBondContact O-N 3.27Å; N596-I598 VanDerWaalsContact C-N 3.35Å; N596-I598 PolarHBondContact O-N 3.42Å; I598-N600 VanDerWaalsContact C-N 3.33Å; I598-N600 PolarHBondContact O-N 3.24Å; I598-V601 WeakPolarHBondContact O-CB 3.41Å; I598-V601 PolarHBondContact O-N 3.38Å; I598-L602 PolarHBondContact O-N 3.25Å; I598-L602 VanDerWaalsContact O-N 3.14Å; I598-Y620 HydrophobicContact CG2-CE2 4.22Å
599N95.1Very high88.7Confident8 Ų860.1 Ų60.14%0.04329%0.289CS..Hα-helixtrans-63.4-39175.3-167.871.5000112.1A595 N596 R597 V601 L602 E603 Y620 Y624A595-N599 PolarHBondContact O-N 3.02Å; N596-N599 PolarHBondContact O-N 3.49Å; R597-N599 VanDerWaalsContact C-N 3.34Å; R597-N599 PolarHBondContact O-N 3.34Å; N599-V601 VanDerWaalsContact C-N 3.32Å; N599-V601 PolarHBondContact O-N 3.14Å; N599-L602 WeakPolarHBondContact O-CB 3.37Å; N599-L602 PolarHBondContact O-N 3.39Å; N599-L602 VanDerWaalsContact O-N 3.12Å; N599-E603 VanDerWaalsContact ND2-CD 3.34Å; N599-E603 PolarHBondContact ND2-OE1 3.3Å; N599-E603 WeakPolarHBondContact O-CG 3.43Å; N599-E603 PolarHBondContact O-N 3.25Å; N599-Y620 VanDerWaalsContact CA-OH 3.25Å; N599-Y620 WeakPolarHBondContact CA-OH 3.37Å; N599-Y620 PolarHBondContact N-OH 2.98Å; N599-Y624 HydrophobicContact CB-CD2 4.36Å; N599-Y624 HydrophobicContact CB-CE2 3.91Å
600N95Very high89.6Confident97 Ų9752.7 Ų52.752%0.51925%0.253SS..Hα-helixtrans-63.9-36.2175.3-67.2-20.7000112.5N596 R597 I598 L602 E603 F604N596-N600 PolarHBondContact O-N 2.97Å; N596-N600 PolarHBondContact O-ND2 3.07Å; N596-N600 PolarHBondContact O-OD1 3.24Å; R597-N600 WeakPolarHBondContact O-CB 3.22Å; R597-N600 PolarHBondContact O-N 3.14Å; I598-N600 VanDerWaalsContact C-N 3.33Å; I598-N600 PolarHBondContact O-N 3.24Å; N600-L602 VanDerWaalsContact C-N 3.33Å; N600-E603 PolarHBondContact O-N 2.82Å; N600-F604 PolarHBondContact O-N 2.72Å; N600-F604 VanDerWaalsContact O-N 3.07Å
601V96.2Very high90.8Very high3 Ų351.7 Ų51.72%0.01824%0.243CC..Hα-helixtrans-61.5-43.4172.2174.10000110.6V559 L562 E563 L567 F578 R597 I598 N599 F604 N607V559-V601 HydrophobicContact CG1-CG2 4.46Å; L562-V601 HydrophobicContact CB-CG1 3.81Å; L562-V601 HydrophobicContact CB-CG2 4.47Å; E563-V601 HydrophobicContact CG-CG2 3.8Å; L567-V601 HydrophobicContact CD1-CG1 4.27Å; F578-V601 HydrophobicContact CE1-CG1 4.12Å; F578-V601 HydrophobicContact CZ-CG1 4.23Å; R597-V601 WeakPolarHBondContact O-CG2 3.41Å; R597-V601 PolarHBondContact O-N 3.44Å; I598-V601 WeakPolarHBondContact O-CB 3.41Å; I598-V601 PolarHBondContact O-N 3.38Å; N599-V601 VanDerWaalsContact C-N 3.32Å; N599-V601 PolarHBondContact O-N 3.14Å; V601-F604 PolarHBondContact O-N 2.84Å; V601-N607 WeakPolarHBondContact O-CB 3.42Å; V601-N607 PolarHBondContact O-ND2 3.31Å
602L94.2Very high90.9Very high0 Ų051.8 Ų51.80%024%0.236CC..Hα-helixtrans-68.2-38.1178.4-177.268.6000112.5F578 I598 N599 N600 F604 N607 R608 L611 Y620F578-L602 HydrophobicContact CD1-CB 4.24Å; F578-L602 HydrophobicContact CD1-CD1 3.95Å; F578-L602 HydrophobicContact CD2-CD1 3.94Å; F578-L602 HydrophobicContact CE1-CB 3.89Å; F578-L602 HydrophobicContact CE1-CD1 3.92Å; F578-L602 HydrophobicContact CE2-CD1 3.92Å; F578-L602 HydrophobicContact CG-CD1 3.95Å; F578-L602 HydrophobicContact CZ-CB 4.41Å; F578-L602 HydrophobicContact CZ-CD1 3.9Å; I598-L602 PolarHBondContact O-N 3.25Å; I598-L602 VanDerWaalsContact O-N 3.14Å; N599-L602 WeakPolarHBondContact O-CB 3.37Å; N599-L602 PolarHBondContact O-N 3.39Å; N599-L602 VanDerWaalsContact O-N 3.12Å; N600-L602 VanDerWaalsContact C-N 3.33Å; L602-F604 VanDerWaalsContact C-N 3.29Å; L602-F604 PolarHBondContact O-N 3.18Å; L602-N607 CarbonylContact O-C 3.58Å; L602-N607 WeakPolarHBondContact O-CB 3.27Å; L602-R608 HydrophobicContact CD1-CG 4.41Å; L602-R608 HydrophobicContact CG-CG 4.05Å; L602-R608 WeakPolarHBondContact O-CG 3.24Å; L602-R608 PolarHBondContact O-N 2.99Å; L602-R608 VanDerWaalsContact O-N 3.16Å; L602-L611 HydrophobicContact CD1-CD1 3.96Å; L602-L611 HydrophobicContact CD1-CG 4.07Å; L602-L611 HydrophobicContact CD2-CD1 3.62Å; L602-L611 HydrophobicContact CG-CD1 4.39Å; L602-Y620 HydrophobicContact CD2-CD1 3.92Å; L602-Y620 HydrophobicContact CD2-CE1 3.37Å; L602-Y620 HydrophobicContact CD2-CE2 4.15Å; L602-Y620 VanDerWaalsContact CD2-CZ 3.49Å
603E90.2Very high90.6Very high85 Ų8550.3 Ų50.340%0.39723%0.228SC..Hα-helixtrans-78.9-9.7179.9-68.4-166.1162.500114N599 N600 R605 R608N599-E603 VanDerWaalsContact ND2-CD 3.34Å; N599-E603 PolarHBondContact ND2-OE1 3.3Å; N599-E603 WeakPolarHBondContact O-CG 3.43Å; N599-E603 PolarHBondContact O-N 3.25Å; N600-E603 PolarHBondContact O-N 2.82Å; E603-R605 PolarHBondContact O-N 3.31Å; E603-R605 VanDerWaalsContact O-N 3.11Å; E603-R608 IonicContact OE1-CZ 2.76Å; E603-R608 IonicContact OE1-NH2 3.87Å; E603-R608 PolarHBondContact OE1-NH2 3.05Å
604F90.9Very high90.2Very high53 Ų5344 Ų4423%0.23220%0.199CC..SBendtrans-67.5112.1177.8-173.2-95.9000111.3N564 R565 E566 N600 V601 L602 R606 N607N564-F604 HydrophobicContact CB-CE2 4.32Å; N564-F604 WeakPolarHBondContact O-CZ 3.5Å; R565-F604 VanDerWaalsContact C-CD1 3.46Å; R565-F604 VanDerWaalsContact C-CE1 3.45Å; R565-F604 WeakPolarHBondContact O-CD1 3.43Å; E566-F604 HydrophobicContact CB-CE1 4.41Å; N600-F604 PolarHBondContact O-N 2.72Å; N600-F604 VanDerWaalsContact O-N 3.07Å; V601-F604 PolarHBondContact O-N 2.84Å; L602-F604 VanDerWaalsContact C-N 3.29Å; L602-F604 PolarHBondContact O-N 3.18Å; F604-R606 PolarHBondContact O-N 2.71Å; F604-R606 VanDerWaalsContact O-N 3.15Å; F604-N607 WeakPolarHBondContact O-CB 3.45Å; F604-N607 PolarHBondContact O-N 3.15Å; F604-N607 VanDerWaalsContact O-N 3.13Å; F604-N607 PolarHBondContact O-ND2 3.37Å; F604-N607 PolarHBondContact O-OD1 3.36Å
605R85.3Confident89.7Confident179 Ų17946.2 Ų46.268%0.67521%0.209SC*.THydrogen-bonded Turntrans53.8-112.4177.4-61.3-175.6176-165.9-1.5113E566 E603E566-R605 HydrophobicContact CG-CB 4.45Å; E566-R605 VanDerWaalsContact OE2-CD 3.25Å; E566-R605 WeakPolarHBondContact OE2-CD 3.41Å; E566-R605 IonicContact OE2-CZ 3.4Å; E566-R605 IonicContact OE2-NH1 3.33Å; E566-R605 PolarHBondContact OE2-NH1 3.08Å; E603-R605 PolarHBondContact O-N 3.31Å; E603-R605 VanDerWaalsContact O-N 3.11Å
606R86.5Confident89.4Confident122 Ų12246.3 Ų46.346%0.4621%0.21SC..THydrogen-bonded Turntrans-104.913-175.9-66.2-169.5-178.1-174.53.8113.1E248 F604 R608 D609E248-R606 IonicContact OE1-CZ 2.69Å; E248-R606 IonicContact OE1-NH1 3.9Å; E248-R606 IonicContact OE1-NH2 2.77Å; E248-R606 PolarHBondContact OE1-NH2 3.22Å; E248-R606 IonicContact OE2-NH2 3.21Å; E248-R606 PolarHBondContact OE2-NH2 3.36Å; F604-R606 PolarHBondContact O-N 2.71Å; F604-R606 VanDerWaalsContact O-N 3.15Å; R606-R608 PolarHBondContact O-N 3.06Å; R606-R608 VanDerWaalsContact O-N 3.11Å; R606-D609 VanDerWaalsContact O-CB 3.31Å; R606-D609 WeakPolarHBondContact O-CB 3.3Å; R606-D609 PolarHBondContact O-N 3.46Å
607N92.5Very high89.1Confident0 Ų045.6 Ų45.60%021%0.205CC..G310 helixtrans-63.2-21-177.2-68.8-2.7000113.3R565 E566 L567 V601 L602 F604 D609 C610R565-N607 PolarHBondContact O-ND2 3.43Å; E566-N607 WeakPolarHBondContact CA-OD1 3.33Å; L567-N607 HydrophobicContact CD1-CB 4.31Å; L567-N607 PolarHBondContact N-OD1 2.93Å; V601-N607 WeakPolarHBondContact O-CB 3.42Å; V601-N607 PolarHBondContact O-ND2 3.31Å; L602-N607 CarbonylContact O-C 3.58Å; L602-N607 WeakPolarHBondContact O-CB 3.27Å; F604-N607 WeakPolarHBondContact O-CB 3.45Å; F604-N607 PolarHBondContact O-N 3.15Å; F604-N607 VanDerWaalsContact O-N 3.13Å; F604-N607 PolarHBondContact O-ND2 3.37Å; F604-N607 PolarHBondContact O-OD1 3.36Å; N607-D609 PolarHBondContact O-N 3.12Å; N607-C610 WeakPolarHBondContact O-CB 3.44Å; N607-C610 PolarHBondContact O-N 3.28Å; N607-C610 PolarHBondContact O-SG 2.87Å; N607-C610 VanDerWaalsContact O-SG 3.42Å
608R86.9Confident88.8Confident58 Ų5844.1 Ų44.122%0.21921%0.206CC..G310 helixtrans-58.7-25.8170.8-77.2-172.5175.6-164.70.6113.6N256 L602 E603 R606 C610 L611N256-R608 PolarHBondContact ND2-NH1 3.25Å; L602-R608 HydrophobicContact CD1-CG 4.41Å; L602-R608 HydrophobicContact CG-CG 4.05Å; L602-R608 WeakPolarHBondContact O-CG 3.24Å; L602-R608 PolarHBondContact O-N 2.99Å; L602-R608 VanDerWaalsContact O-N 3.16Å; E603-R608 IonicContact OE1-CZ 2.76Å; E603-R608 IonicContact OE1-NH2 3.87Å; E603-R608 PolarHBondContact OE1-NH2 3.05Å; R606-R608 PolarHBondContact O-N 3.06Å; R606-R608 VanDerWaalsContact O-N 3.11Å; R608-C610 PolarHBondContact O-N 3.46Å; R608-C610 VanDerWaalsContact O-N 3.14Å; R608-L611 PolarHBondContact O-N 3.39Å
609D84.4Confident88.5Confident108 Ų10847 Ų4758%0.57822%0.221SC*.G310 helixtrans-64-17.3176.3-64.3-16.9000111.9R606 N607 L611 T612R606-D609 VanDerWaalsContact O-CB 3.31Å; R606-D609 WeakPolarHBondContact O-CB 3.3Å; R606-D609 PolarHBondContact O-N 3.46Å; N607-D609 PolarHBondContact O-N 3.12Å; D609-L611 PolarHBondContact O-N 3.31Å; D609-T612 WeakPolarHBondContact O-CG2 3.46Å
610C88Confident88.5Confident3 Ų346.6 Ų46.62%0.0222%0.219CC..G310 helixtrans-68.6-17.7172.5-61.50000113.8L535 F578 N607 R608 T612L535-C610 HydrophobicContact CD1-CB 4.27Å; F578-C610 HydrophobicContact CD2-CB 3.82Å; F578-C610 HydrophobicContact CE2-CB 3.57Å; N607-C610 WeakPolarHBondContact O-CB 3.44Å; N607-C610 PolarHBondContact O-N 3.28Å; N607-C610 PolarHBondContact O-SG 2.87Å; N607-C610 VanDerWaalsContact O-SG 3.42Å; R608-C610 PolarHBondContact O-N 3.46Å; R608-C610 VanDerWaalsContact O-N 3.14Å; C610-T612 PolarHBondContact O-N 3.15Å
611L87.2Confident88.5Confident11 Ų1142 Ų426%0.05819%0.194CC..  trans-85.681.9169.8-70.9173.8000109.6F578 P579 L602 R608 D609 S613 A616 E617 Y620F578-L611 HydrophobicContact CB-CD2 3.88Å; P579-L611 HydrophobicContact CG-CD2 4.14Å; L602-L611 HydrophobicContact CD1-CD1 3.96Å; L602-L611 HydrophobicContact CD1-CG 4.07Å; L602-L611 HydrophobicContact CD2-CD1 3.62Å; L602-L611 HydrophobicContact CG-CD1 4.39Å; R608-L611 PolarHBondContact O-N 3.39Å; D609-L611 PolarHBondContact O-N 3.31Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.14Å; L611-A616 HydrophobicContact CD2-CB 4.29Å; L611-E617 HydrophobicContact CD1-CG 4.44Å; L611-Y620 HydrophobicContact CD1-CD1 4.48Å; L611-Y620 HydrophobicContact CD1-CG 4.46Å
612T79.1Confident88.4Confident40 Ų4043.8 Ų43.825%0.24520%0.202CC..  trans-81.6-2.5-169.449.10000115.6I569 E575 D609 C610I569-T612 HydrophobicContact CD1-CG2 3.27Å; E575-T612 WeakPolarHBondContact CB-OG1 3.41Å; E575-T612 WeakPolarHBondContact CG-OG1 3.46Å; E575-T612 PolarHBondContact OE2-OG1 2.95Å; D609-T612 WeakPolarHBondContact O-CG2 3.46Å; C610-T612 PolarHBondContact O-N 3.15Å
613S83.2Confident88.4Confident0 Ų044.7 Ų44.70%021%0.209CC..SBendtrans-138.7153.5174.768.30000113.6W390 E575 L611 H615 A616 E617W390-S613 VanDerWaalsContact CD1-CA 3.45Å; W390-S613 WeakPolarHBondContact O-CA 3.38Å; E575-S613 WeakPolarHBondContact OE1-CB 3.42Å; E575-S613 PolarHBondContact OE1-OG 3.49Å; L611-S613 VanDerWaalsContact C-N 3.33Å; L611-S613 PolarHBondContact O-N 3.14Å; S613-H615 PolarHBondContact O-N 2.94Å; S613-A616 PolarHBondContact O-N 3.39Å; S613-A616 WeakPolarHBondContact OG-CB 3.17Å; S613-A616 PolarHBondContact OG-N 3.23Å; S613-A616 VanDerWaalsContact OG-N 3.12Å; S613-E617 PolarHBondContact O-N 3.47Å
614M84.5Confident88.6Confident24 Ų2440.8 Ų40.812%0.11819%0.19CC..Hα-helixtrans-57.9-33172.9-176.7-172.4-73.700111.1Y265 K279 R280 W390 I391 A618Y265-M614 VanDerWaalsContact OH-CE 3.32Å; Y265-M614 WeakPolarHBondContact OH-CE 3.11Å; K279-M614 HydrophobicContact CB-CE 4.03Å; K279-M614 HydrophobicContact CB-SD 4.21Å; R280-M614 HydrophobicContact CB-SD 4.41Å; W390-M614 HydrophobicContact CD2-CB 4.04Å; W390-M614 HydrophobicContact CE3-CB 4.02Å; W390-M614 HydrophobicContact CE3-CE 4.04Å; W390-M614 HydrophobicContact CH2-CB 3.71Å; W390-M614 HydrophobicContact CH2-CE 3.59Å; W390-M614 HydrophobicContact CH2-CG 3.81Å; W390-M614 HydrophobicContact CZ2-CB 3.72Å; W390-M614 HydrophobicContact CZ2-CG 4.16Å; W390-M614 HydrophobicContact CZ3-CB 3.88Å; W390-M614 HydrophobicContact CZ3-CE 3.18Å; W390-M614 HydrophobicContact CZ3-CG 4.17Å; W390-M614 WeakPolarHBondContact O-CB 3.39Å; W390-M614 PolarHBondContact O-N 2.84Å; I391-M614 HydrophobicContact CG1-CE 4.21Å; I391-M614 HydrophobicContact CG2-CE 4.39Å; M614-A618 VanDerWaalsContact O-CB 3.32Å; M614-A618 WeakPolarHBondContact O-CB 3.24Å; M614-A618 PolarHBondContact O-N 3.25Å
615H83.5Confident88.8Confident80 Ų8038.4 Ų38.437%0.3718%0.18SC..Hα-helixtrans-71.7-47.2179-174.662.9000111.8S613 E617 A618 L619S613-H615 PolarHBondContact O-N 2.94Å; H615-E617 VanDerWaalsContact C-N 3.33Å; H615-E617 PolarHBondContact O-N 3.42Å; H615-A618 PolarHBondContact O-N 3.23Å; H615-L619 WeakPolarHBondContact NE2-CD1 3.32Å; H615-L619 WeakPolarHBondContact O-CG 3.13Å; H615-L619 PolarHBondContact O-N 2.99Å
616A87Confident89.2Confident1 Ų130.1 Ų30.11%0.00815%0.149CC..Hα-helixtrans-58.6-45.5174.700000111.2E575 P579 L611 S613 A618 L619 Y620E575-A616 HydrophobicContact CG-CB 4.24Å; P579-A616 HydrophobicContact CG-CB 3.73Å; P579-A616 WeakPolarHBondContact CG-O 3.24Å; L611-A616 HydrophobicContact CD2-CB 4.29Å; S613-A616 PolarHBondContact O-N 3.39Å; S613-A616 WeakPolarHBondContact OG-CB 3.17Å; S613-A616 PolarHBondContact OG-N 3.23Å; S613-A616 VanDerWaalsContact OG-N 3.12Å; A616-A618 PolarHBondContact O-N 2.85Å; A616-L619 PolarHBondContact O-N 3.47Å; A616-Y620 WeakPolarHBondContact O-CB 3.49Å; A616-Y620 PolarHBondContact O-N 2.98Å
617E89.9Confident89.5Confident25 Ų2524.9 Ų24.912%0.11713%0.131CC..Hα-helixtrans-59.3-45.8176.8-172.7173.7-11900112L611 S613 H615 L619 Y620 Y621 F649L611-E617 HydrophobicContact CD1-CG 4.44Å; S613-E617 PolarHBondContact O-N 3.47Å; H615-E617 VanDerWaalsContact C-N 3.33Å; H615-E617 PolarHBondContact O-N 3.42Å; E617-L619 PolarHBondContact O-N 3.44Å; E617-Y620 PolarHBondContact O-N 3.21Å; E617-Y621 HydrophobicContact CG-CD2 3.75Å; E617-Y621 HydrophobicContact CG-CE2 3.61Å; E617-Y621 VanDerWaalsContact O-CD2 3.24Å; E617-Y621 WeakPolarHBondContact O-CD2 3.38Å; E617-Y621 PolarHBondContact O-N 3.36Å; E617-Y621 VanDerWaalsContact O-N 3.14Å; E617-F649 HydrophobicContact CG-CB 4.39Å; E617-F649 WeakPolarHBondContact OE1-CD1 3.49Å
618A89.2Confident89.6Confident29 Ų2924.9 Ų24.924%0.2413%0.131CC..Hα-helixtrans-63.8-42.4178.600000112.8M614 H615 A616 E622 Y650M614-A618 VanDerWaalsContact O-CB 3.32Å; M614-A618 WeakPolarHBondContact O-CB 3.24Å; M614-A618 PolarHBondContact O-N 3.25Å; H615-A618 PolarHBondContact O-N 3.23Å; A616-A618 PolarHBondContact O-N 2.85Å; A618-E622 WeakPolarHBondContact O-CB 3.42Å; A618-E622 PolarHBondContact O-N 3.24Å; A618-Y650 HydrophobicContact CB-CD2 4.47Å
619L90.1Very high89.9Confident61 Ų6122.3 Ų22.332%0.31912%0.122SC..Hα-helixtrans-63.6-43.2177.3-72.6177.3000111.7P579 H615 A616 E617 E622 S623P579-L619 HydrophobicContact CB-CB 4.06Å; H615-L619 WeakPolarHBondContact NE2-CD1 3.32Å; H615-L619 WeakPolarHBondContact O-CG 3.13Å; H615-L619 PolarHBondContact O-N 2.99Å; A616-L619 PolarHBondContact O-N 3.47Å; E617-L619 PolarHBondContact O-N 3.44Å; L619-E622 PolarHBondContact O-N 3.2Å; L619-S623 PolarHBondContact O-N 3.41Å; L619-S623 VanDerWaalsContact O-N 3.09Å; L619-S623 PolarHBondContact O-OG 3.36Å
620Y94.8Very high90.1Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-58.1-53.7178.3178.5-93000111.7F578 M582 I598 N599 L602 L611 A616 E617 S623 Y624F578-Y620 HydrophobicContact CB-CD2 3.92Å; F578-Y620 HydrophobicContact CB-CE2 4.13Å; F578-Y620 HydrophobicContact CD1-CE2 4.21Å; F578-Y620 WeakPolarHBondContact O-CD2 3.47Å; M582-Y620 HydrophobicContact CB-CD2 3.67Å; M582-Y620 HydrophobicContact CB-CE2 3.73Å; M582-Y620 HydrophobicContact CE-CE1 4.33Å; M582-Y620 HydrophobicContact CE-CE2 3.69Å; M582-Y620 VanDerWaalsContact CE-OH 3.3Å; M582-Y620 WeakPolarHBondContact CE-OH 3.41Å; M582-Y620 HydrophobicContact CG-CD2 4.28Å; M582-Y620 HydrophobicContact CG-CE2 4.22Å; M582-Y620 WeakPolarHBondContact CG-O 3.36Å; I598-Y620 HydrophobicContact CG2-CE2 4.22Å; N599-Y620 VanDerWaalsContact CA-OH 3.25Å; N599-Y620 WeakPolarHBondContact CA-OH 3.37Å; N599-Y620 PolarHBondContact N-OH 2.98Å; L602-Y620 HydrophobicContact CD2-CD1 3.92Å; L602-Y620 HydrophobicContact CD2-CE1 3.37Å; L602-Y620 HydrophobicContact CD2-CE2 4.15Å; L602-Y620 VanDerWaalsContact CD2-CZ 3.49Å; L611-Y620 HydrophobicContact CD1-CD1 4.48Å; L611-Y620 HydrophobicContact CD1-CG 4.46Å; A616-Y620 WeakPolarHBondContact O-CB 3.49Å; A616-Y620 PolarHBondContact O-N 2.98Å; E617-Y620 PolarHBondContact O-N 3.21Å; Y620-S623 PolarHBondContact O-N 3.47Å; Y620-Y624 PolarHBondContact O-N 2.99Å
621Y94.5Very high90.3Very high0 Ų024 Ų240%013%0.127CC..Hα-helixtrans-73.4-28.2-176.7-71.4-63.9000113.2E617 L625 F645 F649E617-Y621 HydrophobicContact CG-CD2 3.75Å; E617-Y621 HydrophobicContact CG-CE2 3.61Å; E617-Y621 VanDerWaalsContact O-CD2 3.24Å; E617-Y621 WeakPolarHBondContact O-CD2 3.38Å; E617-Y621 PolarHBondContact O-N 3.36Å; E617-Y621 VanDerWaalsContact O-N 3.14Å; Y621-L625 WeakPolarHBondContact O-CB 3.25Å; Y621-L625 WeakPolarHBondContact O-CG 3.29Å; Y621-L625 PolarHBondContact O-N 3.15Å; Y621-F645 HydrophobicContact CD1-CB 4.24Å; Y621-F645 AromaticContact CD1-CD1 3.62Å; Y621-F645 HydrophobicContact CD1-CD1 3.62Å; Y621-F645 HydrophobicContact CD1-CD2 4.4Å; Y621-F645 HydrophobicContact CD1-CE1 4.04Å; Y621-F645 AromaticContact CD1-CG 3.82Å; Y621-F645 HydrophobicContact CD1-CG 3.82Å; Y621-F645 AromaticContact CE1-CD1 3.19Å; Y621-F645 HydrophobicContact CE1-CD1 3.19Å; Y621-F645 AromaticContact CE1-CE1 3.37Å; Y621-F645 HydrophobicContact CE1-CE1 3.37Å; Y621-F645 AromaticContact CE1-CG 3.91Å; Y621-F645 HydrophobicContact CE1-CG 3.91Å; Y621-F645 HydrophobicContact CE1-CZ 4.21Å; Y621-F645 AromaticContact CZ-CD1 3.85Å; Y621-F649 HydrophobicContact CD2-CB 3.71Å; Y621-F649 HydrophobicContact CE2-CB 3.39Å; Y621-F649 AromaticContact CE2-CG 3.96Å; Y621-F649 HydrophobicContact CE2-CG 3.96Å
622E93.9Very high90.2Very high40 Ų4026.4 Ų26.419%0.18716%0.155CC..Hα-helixtrans-60.7-48.4169.2-174.8168.2-117.800110.5A618 L619 M626 Y650 G653 F656A618-E622 WeakPolarHBondContact O-CB 3.42Å; A618-E622 PolarHBondContact O-N 3.24Å; L619-E622 PolarHBondContact O-N 3.2Å; E622-M626 WeakPolarHBondContact O-CB 3.48Å; E622-M626 PolarHBondContact O-N 3.04Å; E622-Y650 HydrophobicContact CB-CE2 3.75Å; E622-Y650 WeakPolarHBondContact CB-OH 3.44Å; E622-Y650 VanDerWaalsContact CG-OH 3.3Å; E622-Y650 WeakPolarHBondContact CG-OH 3.35Å; E622-Y650 PolarHBondContact OE1-OH 3.01Å; E622-G653 WeakPolarHBondContact OE1-CA 3.41Å; E622-F656 HydrophobicContact CG-CB 4.39Å
623S94.1Very high90.8Very high20 Ų2026.2 Ų26.214%0.1415%0.153CC..Hα-helixtrans-67.3-36.1178.1-67.30000113.4L619 Y620 S627L619-S623 PolarHBondContact O-N 3.41Å; L619-S623 VanDerWaalsContact O-N 3.09Å; L619-S623 PolarHBondContact O-OG 3.36Å; Y620-S623 PolarHBondContact O-N 3.47Å; S623-S627 PolarHBondContact O-N 3.41Å; S623-S627 PolarHBondContact O-OG 2.98Å
624Y95.6Very high91.2Very high3 Ų329.9 Ų29.91%0.01218%0.176CC..Hα-helixtrans-64.6-52.3175.6176.9-99.4000111M582 A595 N596 N599 Y620 M626 S627 V628 Y641 F645M582-Y624 HydrophobicContact CE-CD2 3.59Å; M582-Y624 HydrophobicContact CE-CG 4.28Å; M582-Y624 HydrophobicContact SD-CD2 3.94Å; M582-Y624 HydrophobicContact SD-CG 4.45Å; A595-Y624 HydrophobicContact CB-CD2 4.07Å; A595-Y624 HydrophobicContact CB-CE2 4.11Å; N596-Y624 PolarHBondContact OD1-OH 3.15Å; N599-Y624 HydrophobicContact CB-CD2 4.36Å; N599-Y624 HydrophobicContact CB-CE2 3.91Å; Y620-Y624 PolarHBondContact O-N 2.99Å; Y624-M626 VanDerWaalsContact C-N 3.28Å; Y624-M626 PolarHBondContact O-N 3.41Å; Y624-S627 WeakPolarHBondContact O-CA 3.39Å; Y624-S627 VanDerWaalsContact O-CB 3.29Å; Y624-S627 WeakPolarHBondContact O-CB 3.33Å; Y624-S627 PolarHBondContact O-N 3.41Å; Y624-V628 HydrophobicContact CD1-CG2 4.35Å; Y624-V628 HydrophobicContact CE1-CG2 3.95Å; Y624-V628 WeakPolarHBondContact O-CG2 3.35Å; Y624-V628 PolarHBondContact O-N 3.39Å; Y624-Y641 HydrophobicContact CE1-CD1 4.17Å; Y624-Y641 WeakPolarHBondContact OH-CD1 3.33Å; Y624-Y641 WeakPolarHBondContact OH-CE1 3.36Å; Y624-F645 HydrophobicContact CD1-CD2 4.47Å; Y624-F645 AromaticContact CD1-CE2 3.97Å; Y624-F645 HydrophobicContact CD1-CE2 3.97Å; Y624-F645 HydrophobicContact CD1-CZ 4.44Å; Y624-F645 HydrophobicContact CE1-CD2 4.36Å; Y624-F645 AromaticContact CE1-CE2 3.5Å; Y624-F645 HydrophobicContact CE1-CE2 3.5Å; Y624-F645 AromaticContact CE1-CZ 3.96Å; Y624-F645 HydrophobicContact CE1-CZ 3.96Å
625L94.9Very high91.7Very high2 Ų230.2 Ų30.21%0.0118%0.177CC..Hα-helixtrans-66.1-31.5178.9-69.8174000112.2Y621 S627 V628 A629 Y642 F645 V646 Y650 F656Y621-L625 WeakPolarHBondContact O-CB 3.25Å; Y621-L625 WeakPolarHBondContact O-CG 3.29Å; Y621-L625 PolarHBondContact O-N 3.15Å; L625-S627 VanDerWaalsContact C-N 3.33Å; L625-V628 PolarHBondContact O-N 3.23Å; L625-A629 WeakPolarHBondContact O-CB 3.48Å; L625-A629 PolarHBondContact O-N 3.39Å; L625-Y642 HydrophobicContact CD1-CD2 4.18Å; L625-F645 HydrophobicContact CD2-CD2 4.25Å; L625-V646 HydrophobicContact CD1-CG2 4.5Å; L625-Y650 HydrophobicContact CD1-CD1 3.55Å; L625-Y650 HydrophobicContact CD1-CE1 3.78Å; L625-F656 HydrophobicContact CB-CD2 4.32Å; L625-F656 HydrophobicContact CB-CE2 3.66Å; L625-F656 HydrophobicContact CB-CZ 3.85Å
626M93.8Very high92.1Very high6 Ų630.7 Ų30.73%0.0319%0.189CC..Hα-helixtrans-62.1-41.4170.6-167.568.367.900111.5C586 E622 Y624 A629 R630 K655 F656 E659C586-M626 VanDerWaalsContact SG-CG 3.6Å; E622-M626 WeakPolarHBondContact O-CB 3.48Å; E622-M626 PolarHBondContact O-N 3.04Å; Y624-M626 VanDerWaalsContact C-N 3.28Å; Y624-M626 PolarHBondContact O-N 3.41Å; M626-A629 PolarHBondContact O-N 3.01Å; M626-R630 WeakPolarHBondContact O-CB 3.31Å; M626-R630 WeakPolarHBondContact O-CG 3.18Å; M626-R630 PolarHBondContact O-N 2.99Å; M626-K655 HydrophobicContact CE-CG 4.23Å; M626-F656 HydrophobicContact CE-CB 4.24Å; M626-F656 HydrophobicContact CE-CD2 4.07Å; M626-E659 HydrophobicContact CE-CB 4.03Å; M626-E659 HydrophobicContact CE-CG 4.38Å; M626-E659 HydrophobicContact SD-CB 3.71Å; M626-E659 VanDerWaalsContact SD-CD 3.59Å; M626-E659 HydrophobicContact SD-CG 3.41Å; M626-E659 WeakPolarHBondContact SD-CG 3.28Å
627S93.4Very high92.4Very high11 Ų1134.8 Ų34.88%0.07721%0.208CC..Hα-helixtrans-62.5-41.9174.7-56.40000111.8C586 S623 Y624 L625 R630 S631C586-S627 WeakPolarHBondContact CA-OG 3.39Å; C586-S627 VanDerWaalsContact CB-OG 3.25Å; C586-S627 WeakPolarHBondContact CB-OG 3.25Å; S623-S627 PolarHBondContact O-N 3.41Å; S623-S627 PolarHBondContact O-OG 2.98Å; Y624-S627 WeakPolarHBondContact O-CA 3.39Å; Y624-S627 VanDerWaalsContact O-CB 3.29Å; Y624-S627 WeakPolarHBondContact O-CB 3.33Å; Y624-S627 PolarHBondContact O-N 3.41Å; L625-S627 VanDerWaalsContact C-N 3.33Å; S627-R630 PolarHBondContact O-N 3.4Å; S627-S631 PolarHBondContact O-N 3.21Å; S627-S631 VanDerWaalsContact O-N 3.16Å
628V94Very high92.6Very high0 Ų033.9 Ų33.90%020%0.204CC..Hα-helixtrans-62.2-47.6174179.60000110.4L592 Y624 L625 R630 S631 V633 Y641L592-V628 HydrophobicContact CD1-CB 4.34Å; L592-V628 HydrophobicContact CD1-CG2 3.7Å; Y624-V628 HydrophobicContact CD1-CG2 4.35Å; Y624-V628 HydrophobicContact CE1-CG2 3.95Å; Y624-V628 WeakPolarHBondContact O-CG2 3.35Å; Y624-V628 PolarHBondContact O-N 3.39Å; L625-V628 PolarHBondContact O-N 3.23Å; V628-R630 VanDerWaalsContact C-N 3.29Å; V628-R630 PolarHBondContact O-N 2.96Å; V628-S631 PolarHBondContact O-N 2.82Å; V628-S631 PolarHBondContact O-OG 3.24Å; V628-V633 HydrophobicContact CG1-CG2 3.89Å; V628-V633 WeakPolarHBondContact O-CG2 3.5Å; V628-Y641 HydrophobicContact CG1-CD2 3.8Å; V628-Y641 HydrophobicContact CG1-CE2 4.43Å; V628-Y641 HydrophobicContact CG1-CG 3.95Å; V628-Y641 HydrophobicContact CG2-CD1 4.2Å; V628-Y641 HydrophobicContact CG2-CG 4.19Å
629A92.1Very high92.9Very high4 Ų433.4 Ų33.43%0.03320%0.196CC..Hα-helixtrans-59.6-39.2179.900000113L625 M626 L638 F656 L660 L663L625-A629 WeakPolarHBondContact O-CB 3.48Å; L625-A629 PolarHBondContact O-N 3.39Å; M626-A629 PolarHBondContact O-N 3.01Å; A629-L638 VanDerWaalsContact CA-CD1 3.49Å; A629-L638 HydrophobicContact CB-CD1 3.61Å; A629-F656 HydrophobicContact CB-CE2 4.23Å; A629-L660 HydrophobicContact CB-CD2 4.39Å; A629-L663 HydrophobicContact CB-CD1 3.62Å; A629-L663 WeakPolarHBondContact O-CD1 3.37Å
630R90.4Very high93.1Very high100 Ų10036 Ų3638%0.37721%0.207SC..Hα-helixtrans-82.5-8.8-179.1-68.6175.3176.9179.9-0.8114.3M626 S627 V628 G632 E659M626-R630 WeakPolarHBondContact O-CB 3.31Å; M626-R630 WeakPolarHBondContact O-CG 3.18Å; M626-R630 PolarHBondContact O-N 2.99Å; S627-R630 PolarHBondContact O-N 3.4Å; V628-R630 VanDerWaalsContact C-N 3.29Å; V628-R630 PolarHBondContact O-N 2.96Å; R630-G632 PolarHBondContact O-N 3.32Å; R630-E659 IonicContact CZ-OE1 3.48Å; R630-E659 IonicContact CZ-OE2 3.68Å; R630-E659 IonicContact NE-OE1 3.68Å; R630-E659 PolarHBondContact NE-OE1 2.83Å; R630-E659 IonicContact NE-OE2 3Å; R630-E659 IonicContact NH2-OE1 2.77Å; R630-E659 PolarHBondContact NH2-OE1 3.29Å; R630-E659 IonicContact NH2-OE2 2.68Å; R630-E659 PolarHBondContact NH2-OE2 2.9Å
631S90.1Very high93Very high48 Ų4838 Ų3834%0.33622%0.215SC..THydrogen-bonded Turntrans-79.4-5.1-178.676.30000114.2S627 V628S627-S631 PolarHBondContact O-N 3.21Å; S627-S631 VanDerWaalsContact O-N 3.16Å; V628-S631 PolarHBondContact O-N 2.82Å; V628-S631 PolarHBondContact O-OG 3.24Å
632G86.1Confident93Very high61 Ų6138 Ų3863%0.62922%0.215SC*.THydrogen-bonded Turntrans81.317.6179.600000115.1R630R630-G632 PolarHBondContact O-N 3.32Å
633V90.9Very high92.9Very high35 Ų3539.2 Ų39.221%0.21222%0.223CC..  trans-65.8158.9170.4-67.90000111.2L592 V628 E637 L638L592-V633 HydrophobicContact CD2-CG1 3.98Å; V628-V633 HydrophobicContact CG1-CG2 3.89Å; V628-V633 WeakPolarHBondContact O-CG2 3.5Å; V633-E637 HydrophobicContact CB-CB 4.2Å; V633-L638 HydrophobicContact CG2-CB 4.19Å
634T93.2Very high92.7Very high78 Ų7844.6 Ų44.648%0.47924%0.24SC..  trans-66.7154.8175.164.40000110.9S636 E637 L638T634-S636 PolarHBondContact O-N 3Å; T634-E637 PolarHBondContact N-OE2 2.83Å; T634-E637 PolarHBondContact O-N 2.93Å; T634-E637 WeakPolarHBondContact OG1-CG 3.26Å; T634-E637 PolarHBondContact OG1-N 3.14Å; T634-E637 PolarHBondContact OG1-OE2 2.83Å; T634-L638 WeakPolarHBondContact O-CB 3.4Å; T634-L638 PolarHBondContact O-N 3.13Å
635F93.6Very high92.5Very high31 Ų3144.8 Ų44.814%0.13624%0.241CC..Hα-helixtrans-59.5-30.9175.4-89.3-80.8000112.8L638 F639 L660 L663 V664 A672 I676F635-L638 HydrophobicContact CD1-CD2 4.4Å; F635-L638 PolarHBondContact O-N 3.45Å; F635-F639 HydrophobicContact CD1-CE2 4.05Å; F635-F639 WeakPolarHBondContact O-CD2 3.43Å; F635-F639 PolarHBondContact O-N 3.21Å; F635-L660 HydrophobicContact CE1-CD2 4.17Å; F635-L663 HydrophobicContact CZ-CB 3.98Å; F635-V664 HydrophobicContact CE1-CG2 4Å; F635-V664 HydrophobicContact CE2-CB 4.42Å; F635-V664 HydrophobicContact CE2-CG2 3.67Å; F635-V664 HydrophobicContact CZ-CB 4.29Å; F635-V664 HydrophobicContact CZ-CG2 3.34Å; F635-A672 HydrophobicContact CB-CB 3.84Å; F635-A672 HydrophobicContact CD1-CB 3.56Å; F635-A672 HydrophobicContact CD2-CB 4.06Å; F635-A672 HydrophobicContact CE1-CB 4.11Å; F635-A672 HydrophobicContact CG-CB 3.54Å; F635-I676 HydrophobicContact CE1-CD1 4.08Å
636S92.5Very high92.2Very high90 Ų9045.2 Ų45.263%0.62924%0.244SC*.Hα-helixtrans-64.6-48.9176.2-158.20000111T634 F639 E640T634-S636 PolarHBondContact O-N 3Å; S636-F639 PolarHBondContact O-N 3.2Å; S636-E640 PolarHBondContact O-N 2.97Å; S636-E640 VanDerWaalsContact O-N 3.16Å
637E93.6Very high91.8Very high86 Ų8646.4 Ų46.440%0.40225%0.251SS..Hα-helixtrans-63.9-40.9175.2-70.4166145.100111.5V633 T634 F639 E640 Y641V633-E637 HydrophobicContact CB-CB 4.2Å; T634-E637 PolarHBondContact N-OE2 2.83Å; T634-E637 PolarHBondContact O-N 2.93Å; T634-E637 WeakPolarHBondContact OG1-CG 3.26Å; T634-E637 PolarHBondContact OG1-N 3.14Å; T634-E637 PolarHBondContact OG1-OE2 2.83Å; E637-F639 VanDerWaalsContact C-N 3.28Å; E637-F639 PolarHBondContact O-N 3.31Å; E637-E640 WeakPolarHBondContact O-CB 3.45Å; E637-E640 PolarHBondContact O-N 3.29Å; E637-Y641 VanDerWaalsContact O-CD2 3.31Å; E637-Y641 WeakPolarHBondContact O-CD2 3.23Å; E637-Y641 PolarHBondContact O-N 3.42Å
638L94.6Very high91.4Very high6 Ų648 Ų483%0.03126%0.256CS..Hα-helixtrans-55.9-43.9174.9177.5139.8000111.7A629 V633 T634 F635 E640 Y641 Y642 L660A629-L638 VanDerWaalsContact CA-CD1 3.49Å; A629-L638 HydrophobicContact CB-CD1 3.61Å; V633-L638 HydrophobicContact CG2-CB 4.19Å; T634-L638 WeakPolarHBondContact O-CB 3.4Å; T634-L638 PolarHBondContact O-N 3.13Å; F635-L638 HydrophobicContact CD1-CD2 4.4Å; F635-L638 PolarHBondContact O-N 3.45Å; L638-E640 VanDerWaalsContact C-N 3.3Å; L638-E640 PolarHBondContact O-N 3.12Å; L638-Y641 PolarHBondContact O-N 3.38Å; L638-Y642 WeakPolarHBondContact O-CB 3.36Å; L638-Y642 PolarHBondContact O-N 2.97Å; L638-L660 HydrophobicContact CD1-CD2 3.88Å; L638-L660 HydrophobicContact CD2-CD2 3.86Å
639F94.7Very high91Very high19 Ų1948.9 Ų48.98%0.08326%0.26CS..Hα-helixtrans-70.2-26.6178.5-78.6-61.9000112.7F635 S636 E637 Y641 Y642 D643 A672 R675 I676F635-F639 HydrophobicContact CD1-CE2 4.05Å; F635-F639 WeakPolarHBondContact O-CD2 3.43Å; F635-F639 PolarHBondContact O-N 3.21Å; S636-F639 PolarHBondContact O-N 3.2Å; E637-F639 VanDerWaalsContact C-N 3.28Å; E637-F639 PolarHBondContact O-N 3.31Å; F639-Y641 VanDerWaalsContact C-N 3.33Å; F639-Y641 PolarHBondContact O-N 3.42Å; F639-Y642 AromaticContact CD1-CD1 3.98Å; F639-Y642 HydrophobicContact CD1-CD1 3.98Å; F639-Y642 HydrophobicContact CD1-CG 4.03Å; F639-Y642 HydrophobicContact CE1-CD1 4.4Å; F639-Y642 HydrophobicContact CE1-CG 4.42Å; F639-Y642 PolarHBondContact O-N 2.9Å; F639-D643 VanDerWaalsContact O-CB 3.3Å; F639-D643 WeakPolarHBondContact O-CB 3.44Å; F639-D643 PolarHBondContact O-N 3.17Å; F639-A672 HydrophobicContact CE2-CB 4.29Å; F639-R675 HydrophobicContact CD1-CG 4.14Å; F639-R675 HydrophobicContact CD2-CG 4.12Å; F639-R675 HydrophobicContact CE1-CG 3.72Å; F639-R675 HydrophobicContact CE2-CB 4.19Å; F639-R675 HydrophobicContact CE2-CG 3.7Å; F639-R675 HydrophobicContact CG-CG 4.35Å; F639-R675 HydrophobicContact CZ-CB 4.2Å; F639-R675 HydrophobicContact CZ-CG 3.5Å; F639-I676 HydrophobicContact CZ-CG1 4.05Å
640E93.7Very high90.8Very high115 Ų11548.9 Ų48.954%0.53726%0.259SS..Hα-helixtrans-64.2-36.8168.9-66.2-175.4177.700112.5S636 E637 L638 R644S636-E640 PolarHBondContact O-N 2.97Å; S636-E640 VanDerWaalsContact O-N 3.16Å; E637-E640 WeakPolarHBondContact O-CB 3.45Å; E637-E640 PolarHBondContact O-N 3.29Å; L638-E640 VanDerWaalsContact C-N 3.3Å; L638-E640 PolarHBondContact O-N 3.12Å; E640-R644 WeakPolarHBondContact O-CG 3.46Å
641Y93.6Very high90.8Very high42 Ų4244.6 Ų44.617%0.16524%0.244CC..Hα-helixtrans-71.3-44.1171.9-77.1-86.6000111.3Y624 V628 E637 L638 F639 D643 R644 F645Y624-Y641 HydrophobicContact CE1-CD1 4.17Å; Y624-Y641 WeakPolarHBondContact OH-CD1 3.33Å; Y624-Y641 WeakPolarHBondContact OH-CE1 3.36Å; V628-Y641 HydrophobicContact CG1-CD2 3.8Å; V628-Y641 HydrophobicContact CG1-CE2 4.43Å; V628-Y641 HydrophobicContact CG1-CG 3.95Å; V628-Y641 HydrophobicContact CG2-CD1 4.2Å; V628-Y641 HydrophobicContact CG2-CG 4.19Å; E637-Y641 VanDerWaalsContact O-CD2 3.31Å; E637-Y641 WeakPolarHBondContact O-CD2 3.23Å; E637-Y641 PolarHBondContact O-N 3.42Å; L638-Y641 PolarHBondContact O-N 3.38Å; F639-Y641 VanDerWaalsContact C-N 3.33Å; F639-Y641 PolarHBondContact O-N 3.42Å; Y641-D643 PolarHBondContact O-N 3.48Å; Y641-R644 WeakPolarHBondContact O-CB 3.41Å; Y641-R644 PolarHBondContact O-N 2.66Å; Y641-F645 WeakPolarHBondContact O-CD2 3.39Å; Y641-F645 WeakPolarHBondContact O-CE2 3.33Å
642Y93.8Very high90.8Very high1 Ų142.3 Ų42.30%0.00423%0.229CC..Hα-helixtrans-57.1-49.5179.6-179.5-89.7000112.2L625 L638 F639 R644 F645 V646 P652 F656 E679L625-Y642 HydrophobicContact CD1-CD2 4.18Å; L638-Y642 WeakPolarHBondContact O-CB 3.36Å; L638-Y642 PolarHBondContact O-N 2.97Å; F639-Y642 AromaticContact CD1-CD1 3.98Å; F639-Y642 HydrophobicContact CD1-CD1 3.98Å; F639-Y642 HydrophobicContact CD1-CG 4.03Å; F639-Y642 HydrophobicContact CE1-CD1 4.4Å; F639-Y642 HydrophobicContact CE1-CG 4.42Å; F639-Y642 PolarHBondContact O-N 2.9Å; Y642-R644 PolarHBondContact O-N 3.26Å; Y642-F645 PolarHBondContact O-N 3.21Å; Y642-V646 HydrophobicContact CD1-CB 4.06Å; Y642-V646 HydrophobicContact CD1-CG2 4.24Å; Y642-V646 HydrophobicContact CD2-CG2 4.04Å; Y642-V646 HydrophobicContact CE1-CB 3.69Å; Y642-V646 HydrophobicContact CE1-CG1 3.78Å; Y642-V646 HydrophobicContact CE1-CG2 3.99Å; Y642-V646 HydrophobicContact CE2-CB 4.39Å; Y642-V646 HydrophobicContact CE2-CG2 3.77Å; Y642-V646 HydrophobicContact CG-CG2 4.27Å; Y642-V646 PolarHBondContact O-N 2.84Å; Y642-P652 HydrophobicContact CE2-CG 3.76Å; Y642-P652 WeakPolarHBondContact OH-CG 3.26Å; Y642-F656 AromaticContact CD2-CE1 3.77Å; Y642-F656 HydrophobicContact CD2-CE1 3.77Å; Y642-F656 HydrophobicContact CD2-CZ 4.24Å; Y642-F656 HydrophobicContact CE2-CD1 4.5Å; Y642-F656 AromaticContact CE2-CE1 3.75Å; Y642-F656 HydrophobicContact CE2-CE1 3.75Å; Y642-E679 HydrophobicContact CE1-CG 4.31Å; Y642-E679 WeakPolarHBondContact OH-CG 3.3Å; Y642-E679 PolarHBondContact OH-OE2 3.33Å
643D92.1Very high90.9Very high66 Ų6640.1 Ų40.135%0.35321%0.205SC..Hα-helixtrans-67.8-17.1-175.7-70-19000112.3P258 F639 Y641 F645 R675P258-D643 WeakPolarHBondContact CB-O 3.45Å; F639-D643 VanDerWaalsContact O-CB 3.3Å; F639-D643 WeakPolarHBondContact O-CB 3.44Å; F639-D643 PolarHBondContact O-N 3.17Å; Y641-D643 PolarHBondContact O-N 3.48Å; D643-F645 VanDerWaalsContact C-N 3.3Å; D643-F645 PolarHBondContact O-N 3.11Å; D643-R675 IonicContact OD1-NH2 2.93Å; D643-R675 PolarHBondContact OD1-NH2 3.46Å; D643-R675 IonicContact OD2-NH2 2.85Å
644R90.8Very high90.8Very high132 Ų13241.5 Ų41.550%0.49821%0.209SC..Hα-helixtrans-69.5-27.3172.4-71.4171.9-169-168.54.2113.1E640 Y641 Y642E640-R644 WeakPolarHBondContact O-CG 3.46Å; Y641-R644 WeakPolarHBondContact O-CB 3.41Å; Y641-R644 PolarHBondContact O-N 2.66Å; Y642-R644 PolarHBondContact O-N 3.26Å
645F90.5Very high90.7Very high7 Ų743.8 Ų43.83%0.03121%0.212CC..Hα-helixtrans-117.3-23.2-171.4-52.8-72.3000114Y621 Y624 L625 Y641 Y642 D643 R648 F649 Y650Y621-F645 HydrophobicContact CD1-CB 4.24Å; Y621-F645 AromaticContact CD1-CD1 3.62Å; Y621-F645 HydrophobicContact CD1-CD1 3.62Å; Y621-F645 HydrophobicContact CD1-CD2 4.4Å; Y621-F645 HydrophobicContact CD1-CE1 4.04Å; Y621-F645 AromaticContact CD1-CG 3.82Å; Y621-F645 HydrophobicContact CD1-CG 3.82Å; Y621-F645 AromaticContact CE1-CD1 3.19Å; Y621-F645 HydrophobicContact CE1-CD1 3.19Å; Y621-F645 AromaticContact CE1-CE1 3.37Å; Y621-F645 HydrophobicContact CE1-CE1 3.37Å; Y621-F645 AromaticContact CE1-CG 3.91Å; Y621-F645 HydrophobicContact CE1-CG 3.91Å; Y621-F645 HydrophobicContact CE1-CZ 4.21Å; Y621-F645 AromaticContact CZ-CD1 3.85Å; Y624-F645 HydrophobicContact CD1-CD2 4.47Å; Y624-F645 AromaticContact CD1-CE2 3.97Å; Y624-F645 HydrophobicContact CD1-CE2 3.97Å; Y624-F645 HydrophobicContact CD1-CZ 4.44Å; Y624-F645 HydrophobicContact CE1-CD2 4.36Å; Y624-F645 AromaticContact CE1-CE2 3.5Å; Y624-F645 HydrophobicContact CE1-CE2 3.5Å; Y624-F645 AromaticContact CE1-CZ 3.96Å; Y624-F645 HydrophobicContact CE1-CZ 3.96Å; L625-F645 HydrophobicContact CD2-CD2 4.25Å; Y641-F645 WeakPolarHBondContact O-CD2 3.39Å; Y641-F645 WeakPolarHBondContact O-CE2 3.33Å; Y642-F645 PolarHBondContact O-N 3.21Å; D643-F645 VanDerWaalsContact C-N 3.3Å; D643-F645 PolarHBondContact O-N 3.11Å; F645-R648 PolarHBondContact O-N 3.03Å; F645-F649 HydrophobicContact CD1-CD2 4.06Å; F645-F649 PolarHBondContact O-N 3.02Å; F645-Y650 PolarHBondContact O-N 3.02Å
646V89.4Confident90.7Very high12 Ų1242.3 Ų42.37%0.07321%0.206CC..THydrogen-bonded Turntrans-104.3127.2179-175.50000109.5L625 Y642 Y650 P652L625-V646 HydrophobicContact CD1-CG2 4.5Å; Y642-V646 HydrophobicContact CD1-CB 4.06Å; Y642-V646 HydrophobicContact CD1-CG2 4.24Å; Y642-V646 HydrophobicContact CD2-CG2 4.04Å; Y642-V646 HydrophobicContact CE1-CB 3.69Å; Y642-V646 HydrophobicContact CE1-CG1 3.78Å; Y642-V646 HydrophobicContact CE1-CG2 3.99Å; Y642-V646 HydrophobicContact CE2-CB 4.39Å; Y642-V646 HydrophobicContact CE2-CG2 3.77Å; Y642-V646 HydrophobicContact CG-CG2 4.27Å; Y642-V646 PolarHBondContact O-N 2.84Å; V646-Y650 HydrophobicContact CG2-CD1 3.77Å; V646-Y650 HydrophobicContact CG2-CG 4.46Å; V646-P652 HydrophobicContact CG1-CG 4.34Å; V646-P652 HydrophobicContact CG2-CG 4.42Å
647P84.7Confident90.8Very high30 Ų3038 Ų3820%0.19518%0.176CC..THydrogen-bonded Turncis-96.91.710.838.1-36.1000114.4K279K279-P647 VanDerWaalsContact CE-O 3.27Å; K279-P647 WeakPolarHBondContact CE-O 3.46Å; K279-P647 PolarHBondContact NZ-O 3.17Å
648R85.3Confident90.9Very high44 Ų4436 Ų3617%0.16617%0.168CC..THydrogen-bonded Turntrans-59.9-64.3-169.3-169171.9177.3109.1-5113.8N256 D257 A260 K279 F645N256-R648 PolarHBondContact OD1-NH2 3.3Å; D257-R648 WeakPolarHBondContact O-CD 3.45Å; D257-R648 PolarHBondContact O-NH1 3.23Å; A260-R648 VanDerWaalsContact O-CB 3.22Å; A260-R648 WeakPolarHBondContact O-CB 3.4Å; K279-R648 PolarHBondContact NZ-O 3.38Å; F645-R648 PolarHBondContact O-N 3.03Å
649F84.5Confident90.8Very high20 Ų2037.7 Ų37.79%0.08818%0.175CC..THydrogen-bonded Turntrans-94.4-37.3-172.3-55.4-67.8000111.3N256 E617 Y621 F645N256-F649 HydrophobicContact CB-CZ 4.41Å; E617-F649 HydrophobicContact CG-CB 4.39Å; E617-F649 WeakPolarHBondContact OE1-CD1 3.49Å; Y621-F649 HydrophobicContact CD2-CB 3.71Å; Y621-F649 HydrophobicContact CE2-CB 3.39Å; Y621-F649 AromaticContact CE2-CG 3.96Å; Y621-F649 HydrophobicContact CE2-CG 3.96Å; F645-F649 HydrophobicContact CD1-CD2 4.06Å; F645-F649 PolarHBondContact O-N 3.02Å
650Y89.5Confident90.9Very high3 Ų336.9 Ų36.91%0.01217%0.172CC..  trans-119.9145.9-173.5-179.1-126.3000112.2K279 A618 E622 L625 F645 V646 P652 G653K279-Y650 PolarHBondContact NZ-O 3.48Å; A618-Y650 HydrophobicContact CB-CD2 4.47Å; E622-Y650 HydrophobicContact CB-CE2 3.75Å; E622-Y650 WeakPolarHBondContact CB-OH 3.44Å; E622-Y650 VanDerWaalsContact CG-OH 3.3Å; E622-Y650 WeakPolarHBondContact CG-OH 3.35Å; E622-Y650 PolarHBondContact OE1-OH 3.01Å; L625-Y650 HydrophobicContact CD1-CD1 3.55Å; L625-Y650 HydrophobicContact CD1-CE1 3.78Å; F645-Y650 PolarHBondContact O-N 3.02Å; V646-Y650 HydrophobicContact CG2-CD1 3.77Å; V646-Y650 HydrophobicContact CG2-CG 4.46Å; Y650-P652 HydrophobicContact CE1-CB 4.37Å; Y650-P652 HydrophobicContact CE1-CG 4.46Å; Y650-G653 PolarHBondContact OH-N 3.21Å
651S89.4Confident91Very high10 Ų1031.5 Ų31.57%0.0715%0.146CC..  trans-123.2116.1167.6-73.20000107.6T274 K279 G653T274-S651 PolarHBondContact O-OG 3.39Å; K279-S651 WeakPolarHBondContact CD-OG 3.3Å; K279-S651 WeakPolarHBondContact CE-OG 3.45Å; K279-S651 PolarHBondContact NZ-OG 3.24Å; K279-S651 VanDerWaalsContact NZ-OG 3.12Å; S651-G653 PolarHBondContact O-N 3.34Å
652P89.9Confident91Very high1 Ų131.7 Ų31.71%0.00615%0.154CC..  trans-47.7122.5-173-24.421.8000115.2Y642 V646 Y650 F656 L657 Q683Y642-P652 HydrophobicContact CE2-CG 3.76Å; Y642-P652 WeakPolarHBondContact OH-CG 3.26Å; V646-P652 HydrophobicContact CG1-CG 4.34Å; V646-P652 HydrophobicContact CG2-CG 4.42Å; Y650-P652 HydrophobicContact CE1-CB 4.37Å; Y650-P652 HydrophobicContact CE1-CG 4.46Å; P652-F656 HydrophobicContact CB-CD1 4.35Å; P652-L657 HydrophobicContact CB-CD2 4.26Å; P652-L657 HydrophobicContact CB-CG 4.24Å; P652-Q683 HydrophobicContact CB-CG 4.12Å; P652-Q683 HydrophobicContact CG-CG 4.14Å
653G87.9Confident91Very high14 Ų1432.4 Ų32.414%0.14416%0.158CC..  trans-70.7167.1171.500000113E622 Y650 S651 K655 L657E622-G653 WeakPolarHBondContact OE1-CA 3.41Å; Y650-G653 PolarHBondContact OH-N 3.21Å; S651-G653 PolarHBondContact O-N 3.34Å; G653-K655 VanDerWaalsContact C-N 3.28Å; G653-K655 PolarHBondContact O-N 3.44Å; G653-L657 PolarHBondContact O-N 3.3Å
654F89.1Confident91.1Very high65 Ų6529.2 Ų29.229%0.28514%0.141SC..Hα-helixtrans-59.9-43.3175.7-174.9-114.8000111.5L657 L658 R685 V690 I691F654-L657 PolarHBondContact O-N 3.07Å; F654-L658 HydrophobicContact CD1-CD1 3.9Å; F654-L658 HydrophobicContact CE1-CD1 3.31Å; F654-L658 HydrophobicContact CE1-CG 4.2Å; F654-L658 HydrophobicContact CE2-CD1 4.33Å; F654-L658 HydrophobicContact CE2-CG 4.46Å; F654-L658 HydrophobicContact CZ-CD1 3.56Å; F654-L658 HydrophobicContact CZ-CD2 4.48Å; F654-L658 HydrophobicContact CZ-CG 4.14Å; F654-L658 PolarHBondContact O-N 2.92Å; F654-L658 VanDerWaalsContact O-N 3.15Å; F654-R685 VanDerWaalsContact CB-NH1 3.29Å; F654-R685 VanDerWaalsContact N-NH2 3.18Å; F654-V690 HydrophobicContact CZ-CB 3.93Å; F654-V690 HydrophobicContact CZ-CG1 3.82Å; F654-I691 HydrophobicContact CD2-CD1 3.48Å; F654-I691 VanDerWaalsContact CD2-CD1 3.48Å; F654-I691 HydrophobicContact CD2-CG1 3.97Å; F654-I691 HydrophobicContact CE2-CB 4.23Å; F654-I691 HydrophobicContact CE2-CD1 3.58Å; F654-I691 HydrophobicContact CE2-CG1 3.54Å; F654-I691 HydrophobicContact CZ-CG1 4.43Å
655K91.5Very high91Very high125 Ų12527.5 Ų27.554%0.54314%0.138SC..Hα-helixtrans-64.8-46.5-174.4-171.3-179178.5-1740111M626 G653 L657 L658 E659M626-K655 HydrophobicContact CE-CG 4.23Å; G653-K655 VanDerWaalsContact C-N 3.28Å; G653-K655 PolarHBondContact O-N 3.44Å; K655-L657 PolarHBondContact O-N 2.69Å; K655-L658 PolarHBondContact O-N 2.79Å; K655-E659 PolarHBondContact O-N 2.85Å
656F94.1Very high90.9Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-60.9-43.7177.1-176-109.1000112.9E622 L625 M626 A629 Y642 P652 L658 E659 L660E622-F656 HydrophobicContact CG-CB 4.39Å; L625-F656 HydrophobicContact CB-CD2 4.32Å; L625-F656 HydrophobicContact CB-CE2 3.66Å; L625-F656 HydrophobicContact CB-CZ 3.85Å; M626-F656 HydrophobicContact CE-CB 4.24Å; M626-F656 HydrophobicContact CE-CD2 4.07Å; A629-F656 HydrophobicContact CB-CE2 4.23Å; Y642-F656 AromaticContact CD2-CE1 3.77Å; Y642-F656 HydrophobicContact CD2-CE1 3.77Å; Y642-F656 HydrophobicContact CD2-CZ 4.24Å; Y642-F656 HydrophobicContact CE2-CD1 4.5Å; Y642-F656 AromaticContact CE2-CE1 3.75Å; Y642-F656 HydrophobicContact CE2-CE1 3.75Å; P652-F656 HydrophobicContact CB-CD1 4.35Å; F656-L658 PolarHBondContact O-N 3.24Å; F656-E659 WeakPolarHBondContact O-CB 3.37Å; F656-E659 PolarHBondContact O-N 3.5Å; F656-L660 HydrophobicContact CD1-CD1 4.17Å; F656-L660 HydrophobicContact CD1-CG 4.41Å; F656-L660 HydrophobicContact CE1-CD1 3.62Å; F656-L660 HydrophobicContact CE1-CD2 4.27Å; F656-L660 HydrophobicContact CE1-CG 4.01Å; F656-L660 HydrophobicContact CE2-CD2 4.18Å; F656-L660 HydrophobicContact CE2-CG 4.47Å; F656-L660 HydrophobicContact CZ-CD1 4.03Å; F656-L660 HydrophobicContact CZ-CD2 3.81Å; F656-L660 HydrophobicContact CZ-CG 4.05Å; F656-L660 WeakPolarHBondContact O-CG 3.26Å; F656-L660 PolarHBondContact O-N 2.87Å
657L94.6Very high90.9Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-63.9-40.5178.8-68.5171.2000112.7P652 G653 F654 K655 E659 L660 I661 E679 I680 I691P652-L657 HydrophobicContact CB-CD2 4.26Å; P652-L657 HydrophobicContact CB-CG 4.24Å; G653-L657 PolarHBondContact O-N 3.3Å; F654-L657 PolarHBondContact O-N 3.07Å; K655-L657 PolarHBondContact O-N 2.69Å; L657-E659 VanDerWaalsContact C-N 3.33Å; L657-L660 PolarHBondContact O-N 3.1Å; L657-I661 WeakPolarHBondContact O-CG1 3.46Å; L657-I661 PolarHBondContact O-N 2.9Å; L657-E679 HydrophobicContact CD2-CB 4.28Å; L657-I680 HydrophobicContact CD1-CG1 4.22Å; L657-I680 HydrophobicContact CD2-CG1 4.39Å; L657-I691 HydrophobicContact CB-CD1 4.17Å; L657-I691 HydrophobicContact CD1-CD1 4.11Å
658L94.6Very high90.9Very high45 Ų4537.7 Ų37.724%0.23620%0.199CC..Hα-helixtrans-64.2-38.8174.2-73.2-177.6000112F654 K655 F656 I661 S662 I691 E694F654-L658 HydrophobicContact CD1-CD1 3.9Å; F654-L658 HydrophobicContact CE1-CD1 3.31Å; F654-L658 HydrophobicContact CE1-CG 4.2Å; F654-L658 HydrophobicContact CE2-CD1 4.33Å; F654-L658 HydrophobicContact CE2-CG 4.46Å; F654-L658 HydrophobicContact CZ-CD1 3.56Å; F654-L658 HydrophobicContact CZ-CD2 4.48Å; F654-L658 HydrophobicContact CZ-CG 4.14Å; F654-L658 PolarHBondContact O-N 2.92Å; F654-L658 VanDerWaalsContact O-N 3.15Å; K655-L658 PolarHBondContact O-N 2.79Å; F656-L658 PolarHBondContact O-N 3.24Å; L658-I661 HydrophobicContact CD2-CD1 4.49Å; L658-I661 PolarHBondContact O-N 3.38Å; L658-S662 PolarHBondContact O-N 2.93Å; L658-I691 HydrophobicContact CD2-CG1 3.79Å; L658-I691 HydrophobicContact CG-CG1 4.29Å; L658-E694 HydrophobicContact CD2-CB 4.16Å; L658-E694 HydrophobicContact CD2-CG 4.21Å
659E94Very high91Very high40 Ų4036.6 Ų36.619%0.18720%0.201CC..Hα-helixtrans-61.5-44.5175.4-166.490.4-178.200111.3M626 R630 K655 F656 L657 I661 S662 L663M626-E659 HydrophobicContact CE-CB 4.03Å; M626-E659 HydrophobicContact CE-CG 4.38Å; M626-E659 HydrophobicContact SD-CB 3.71Å; M626-E659 VanDerWaalsContact SD-CD 3.59Å; M626-E659 HydrophobicContact SD-CG 3.41Å; M626-E659 WeakPolarHBondContact SD-CG 3.28Å; R630-E659 IonicContact CZ-OE1 3.48Å; R630-E659 IonicContact CZ-OE2 3.68Å; R630-E659 IonicContact NE-OE1 3.68Å; R630-E659 PolarHBondContact NE-OE1 2.83Å; R630-E659 IonicContact NE-OE2 3Å; R630-E659 IonicContact NH2-OE1 2.77Å; R630-E659 PolarHBondContact NH2-OE1 3.29Å; R630-E659 IonicContact NH2-OE2 2.68Å; R630-E659 PolarHBondContact NH2-OE2 2.9Å; K655-E659 PolarHBondContact O-N 2.85Å; F656-E659 WeakPolarHBondContact O-CB 3.37Å; F656-E659 PolarHBondContact O-N 3.5Å; L657-E659 VanDerWaalsContact C-N 3.33Å; E659-I661 VanDerWaalsContact C-N 3.3Å; E659-I661 PolarHBondContact O-N 3.3Å; E659-S662 PolarHBondContact O-N 2.97Å; E659-L663 HydrophobicContact CG-CD1 3.93Å; E659-L663 HydrophobicContact CG-CG 4.42Å; E659-L663 WeakPolarHBondContact O-CB 3.48Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 3.25Å
660L95.4Very high91.3Very high2 Ų237.3 Ų37.31%0.0120%0.203CC..Hα-helixtrans-59.1-42.3177.2-66.4-176.6000111.9A629 F635 L638 F656 L657 L663 V664 I676A629-L660 HydrophobicContact CB-CD2 4.39Å; F635-L660 HydrophobicContact CE1-CD2 4.17Å; L638-L660 HydrophobicContact CD1-CD2 3.88Å; L638-L660 HydrophobicContact CD2-CD2 3.86Å; F656-L660 HydrophobicContact CD1-CD1 4.17Å; F656-L660 HydrophobicContact CD1-CG 4.41Å; F656-L660 HydrophobicContact CE1-CD1 3.62Å; F656-L660 HydrophobicContact CE1-CD2 4.27Å; F656-L660 HydrophobicContact CE1-CG 4.01Å; F656-L660 HydrophobicContact CE2-CD2 4.18Å; F656-L660 HydrophobicContact CE2-CG 4.47Å; F656-L660 HydrophobicContact CZ-CD1 4.03Å; F656-L660 HydrophobicContact CZ-CD2 3.81Å; F656-L660 HydrophobicContact CZ-CG 4.05Å; F656-L660 WeakPolarHBondContact O-CG 3.26Å; F656-L660 PolarHBondContact O-N 2.87Å; L657-L660 PolarHBondContact O-N 3.1Å; L660-L663 PolarHBondContact O-N 3.35Å; L660-V664 WeakPolarHBondContact O-CG2 3.35Å; L660-V664 PolarHBondContact O-N 2.92Å; L660-I676 HydrophobicContact CB-CD1 4.03Å; L660-I676 HydrophobicContact CB-CG1 4.41Å; L660-I676 HydrophobicContact CD1-CG1 4.39Å
661I95.8Very high91.3Very high2 Ų242.9 Ų42.91%0.0123%0.234CC..Hα-helixtrans-62.9-46.2177.5-65163.7000110.5L657 L658 E659 L663 V664 E665 I676 I680 E694 F695 V698L657-I661 WeakPolarHBondContact O-CG1 3.46Å; L657-I661 PolarHBondContact O-N 2.9Å; L658-I661 HydrophobicContact CD2-CD1 4.49Å; L658-I661 PolarHBondContact O-N 3.38Å; E659-I661 VanDerWaalsContact C-N 3.3Å; E659-I661 PolarHBondContact O-N 3.3Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.85Å; I661-V664 WeakPolarHBondContact O-CB 3.24Å; I661-V664 PolarHBondContact O-N 3.17Å; I661-E665 PolarHBondContact O-N 2.77Å; I661-I676 HydrophobicContact CG1-CG2 4.17Å; I661-I680 HydrophobicContact CD1-CD1 4.35Å; I661-E694 HydrophobicContact CG2-CB 4.12Å; I661-E694 WeakPolarHBondContact CG2-O 3.49Å; I661-F695 HydrophobicContact CD1-CB 4Å; I661-F695 HydrophobicContact CD1-CD2 4.09Å; I661-F695 HydrophobicContact CG1-CD2 4.13Å; I661-V698 HydrophobicContact CG2-CB 4.43Å; I661-V698 HydrophobicContact CG2-CG2 3.73Å
662S94.3Very high91.5Very high47 Ų4742.9 Ų42.933%0.32923%0.234SC..Hα-helixtrans-60.4-41.9176.9-179.90000112.2L658 E659 V664 E665 M666L658-S662 PolarHBondContact O-N 2.93Å; E659-S662 PolarHBondContact O-N 2.97Å; S662-V664 VanDerWaalsContact C-N 3.33Å; S662-V664 PolarHBondContact O-N 2.92Å; S662-E665 WeakPolarHBondContact O-CB 3.16Å; S662-E665 PolarHBondContact O-N 2.81Å; S662-M666 WeakPolarHBondContact O-CG 3.28Å; S662-M666 PolarHBondContact O-N 2.88Å; S662-M666 WeakPolarHBondContact OG-CE 3.45Å
663L93.6Very high91.8Very high15 Ų1542.8 Ų42.88%0.07923%0.233CC..Hα-helixtrans-66.1-33.1176.9-74.7164.3000112.9A629 F635 E659 L660 I661 E665 M666 N667A629-L663 HydrophobicContact CB-CD1 3.62Å; A629-L663 WeakPolarHBondContact O-CD1 3.37Å; F635-L663 HydrophobicContact CZ-CB 3.98Å; E659-L663 HydrophobicContact CG-CD1 3.93Å; E659-L663 HydrophobicContact CG-CG 4.42Å; E659-L663 WeakPolarHBondContact O-CB 3.48Å; E659-L663 WeakPolarHBondContact O-CG 3.41Å; E659-L663 PolarHBondContact O-N 3.25Å; L660-L663 PolarHBondContact O-N 3.35Å; I661-L663 VanDerWaalsContact C-N 3.34Å; I661-L663 PolarHBondContact O-N 2.85Å; L663-E665 VanDerWaalsContact C-N 3.33Å; L663-M666 HydrophobicContact CD2-CE 3.88Å; L663-M666 HydrophobicContact CG-CE 4.26Å; L663-N667 VanDerWaalsContact O-CB 3.3Å; L663-N667 WeakPolarHBondContact O-CB 3.47Å; L663-N667 PolarHBondContact O-N 3.45Å
664V93.5Very high92.1Very high0 Ų043.4 Ų43.40%024%0.235CC..Hα-helixtrans-60.7-46.4172.21700000110.3F635 L660 I661 S662 G668 G669 Y670 A672 L673 I676 V698F635-V664 HydrophobicContact CE1-CG2 4Å; F635-V664 HydrophobicContact CE2-CB 4.42Å; F635-V664 HydrophobicContact CE2-CG2 3.67Å; F635-V664 HydrophobicContact CZ-CB 4.29Å; F635-V664 HydrophobicContact CZ-CG2 3.34Å; L660-V664 WeakPolarHBondContact O-CG2 3.35Å; L660-V664 PolarHBondContact O-N 2.92Å; I661-V664 WeakPolarHBondContact O-CB 3.24Å; I661-V664 PolarHBondContact O-N 3.17Å; S662-V664 VanDerWaalsContact C-N 3.33Å; S662-V664 PolarHBondContact O-N 2.92Å; V664-G668 WeakPolarHBondContact O-CA 3.42Å; V664-G668 PolarHBondContact O-N 3.11Å; V664-G669 PolarHBondContact O-N 3.47Å; V664-Y670 HydrophobicContact CG1-CD1 3.73Å; V664-Y670 HydrophobicContact CG1-CE1 4.23Å; V664-Y670 HydrophobicContact CG1-CG 4.33Å; V664-A672 HydrophobicContact CG2-CB 4.32Å; V664-L673 HydrophobicContact CB-CD2 4.45Å; V664-L673 HydrophobicContact CG1-CD1 4.31Å; V664-L673 HydrophobicContact CG1-CD2 4.06Å; V664-L673 HydrophobicContact CG1-CG 3.98Å; V664-L673 HydrophobicContact CG2-CD2 4.32Å; V664-I676 HydrophobicContact CG2-CD1 3.66Å; V664-V698 HydrophobicContact CB-CG1 4.45Å; V664-V698 HydrophobicContact CG1-CG1 3.85Å
665E89.8Confident92.3Very high95 Ų9544.9 Ų44.944%0.44424%0.238SC..Hα-helixtrans-63.3-46.5179.5-171.6175.5-153.300111.6I661 S662 L663 V698I661-E665 PolarHBondContact O-N 2.77Å; S662-E665 WeakPolarHBondContact O-CB 3.16Å; S662-E665 PolarHBondContact O-N 2.81Å; L663-E665 VanDerWaalsContact C-N 3.33Å; E665-V698 HydrophobicContact CB-CG1 4.19Å; E665-V698 HydrophobicContact CB-CG2 3.87Å; E665-V698 HydrophobicContact CG-CG2 4.32Å
666M89.2Confident92.5Very high119 Ų11939 Ų3959%0.58621%0.213SC*.Hα-helixtrans-68.4-38.5-178.3-70.3-172.6-69.700113.5S662 L663S662-M666 WeakPolarHBondContact O-CG 3.28Å; S662-M666 PolarHBondContact O-N 2.88Å; S662-M666 WeakPolarHBondContact OG-CE 3.45Å; L663-M666 HydrophobicContact CD2-CE 3.88Å; L663-M666 HydrophobicContact CG-CE 4.26Å
667N88.1Confident92.6Very high103 Ų10339.3 Ų39.355%0.55121%0.214SC*.Hα-helixtrans-104-4.2-170.8-60.9-20.7000113.9L663L663-N667 VanDerWaalsContact O-CB 3.3Å; L663-N667 WeakPolarHBondContact O-CB 3.47Å; L663-N667 PolarHBondContact O-N 3.45Å
668G84.7Confident92.6Very high42 Ų4241.9 Ų41.943%0.43323%0.232SC..THydrogen-bonded Turntrans72.523.7-178.600000114.8V664 Y670V664-G668 WeakPolarHBondContact O-CA 3.42Å; V664-G668 PolarHBondContact O-N 3.11Å; G668-Y670 VanDerWaalsContact C-N 3.27Å; G668-Y670 WeakPolarHBondContact O-CD2 3.43Å; G668-Y670 PolarHBondContact O-N 2.9Å; G668-Y670 VanDerWaalsContact O-N 3.08Å
669G87.4Confident92.5Very high20 Ų2040.1 Ų40.121%0.20622%0.223CC..  trans-82.743.2-175.400000115.3V664 D671 A672V664-G669 PolarHBondContact O-N 3.47Å; G669-D671 PolarHBondContact O-N 3Å; G669-D671 VanDerWaalsContact O-N 3.12Å; G669-A672 WeakPolarHBondContact O-CB 3.34Å; G669-A672 PolarHBondContact O-N 3.26Å; G669-A672 VanDerWaalsContact O-N 3.09Å
670Y91Very high92.5Very high35 Ų3538.2 Ų38.214%0.13721%0.214CC..G310 helixtrans-61.4-25.3-166.5-58-74.6000115.1V664 G668 A672 L673 V698 V702 P703V664-Y670 HydrophobicContact CG1-CD1 3.73Å; V664-Y670 HydrophobicContact CG1-CE1 4.23Å; V664-Y670 HydrophobicContact CG1-CG 4.33Å; G668-Y670 VanDerWaalsContact C-N 3.27Å; G668-Y670 WeakPolarHBondContact O-CD2 3.43Å; G668-Y670 PolarHBondContact O-N 2.9Å; G668-Y670 VanDerWaalsContact O-N 3.08Å; Y670-A672 PolarHBondContact O-N 3.38Å; Y670-A672 VanDerWaalsContact O-N 3.13Å; Y670-L673 HydrophobicContact CD1-CD1 4.2Å; Y670-L673 WeakPolarHBondContact O-CB 3.35Å; Y670-L673 WeakPolarHBondContact O-CG 3.32Å; Y670-L673 PolarHBondContact O-N 3.43Å; Y670-L673 VanDerWaalsContact O-N 3.08Å; Y670-V698 HydrophobicContact CD1-CG1 4.17Å; Y670-V698 HydrophobicContact CE1-CG1 3.89Å; Y670-V702 HydrophobicContact CD1-CB 4.46Å; Y670-V702 HydrophobicContact CD1-CG1 4.49Å; Y670-V702 HydrophobicContact CD1-CG2 3.71Å; Y670-V702 HydrophobicContact CD2-CG1 4.42Å; Y670-V702 HydrophobicContact CE1-CG2 4.28Å; Y670-V702 HydrophobicContact CG-CG1 4.15Å; Y670-V702 HydrophobicContact CG-CG2 4.1Å; Y670-P703 VanDerWaalsContact CE2-CD 3.46Å; Y670-P703 HydrophobicContact CE2-CG 4.08Å
671D90.2Very high92.4Very high121 Ų12139.7 Ų39.765%0.64722%0.223SC*.G310 helixtrans-61.7-19.3176.6-64.7-42.6000113.5G669 P674G669-D671 PolarHBondContact O-N 3Å; G669-D671 VanDerWaalsContact O-N 3.12Å; D671-P674 WeakPolarHBondContact O-CD 3.35Å
672A93.4Very high92Very high9 Ų943.7 Ų43.77%0.07424%0.243CC..G310 helixtrans-76.9-20.6176.900000113.3F635 F639 V664 G669 Y670 R675 I676F635-A672 HydrophobicContact CB-CB 3.84Å; F635-A672 HydrophobicContact CD1-CB 3.56Å; F635-A672 HydrophobicContact CD2-CB 4.06Å; F635-A672 HydrophobicContact CE1-CB 4.11Å; F635-A672 HydrophobicContact CG-CB 3.54Å; F639-A672 HydrophobicContact CE2-CB 4.29Å; V664-A672 HydrophobicContact CG2-CB 4.32Å; G669-A672 WeakPolarHBondContact O-CB 3.34Å; G669-A672 PolarHBondContact O-N 3.26Å; G669-A672 VanDerWaalsContact O-N 3.09Å; Y670-A672 PolarHBondContact O-N 3.38Å; Y670-A672 VanDerWaalsContact O-N 3.13Å; A672-R675 WeakPolarHBondContact O-CB 3.44Å; A672-R675 PolarHBondContact O-N 3.29Å; A672-I676 HydrophobicContact CB-CD1 4.11Å; A672-I676 WeakPolarHBondContact O-CG1 3.44Å; A672-I676 PolarHBondContact O-N 3.37Å
673L95Very high91.6Very high0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-55.5-44.1-173.7-73.8171.7000113.8V664 Y670 R675 I676 W677 F695 V698 A699 V702 L715V664-L673 HydrophobicContact CB-CD2 4.45Å; V664-L673 HydrophobicContact CG1-CD1 4.31Å; V664-L673 HydrophobicContact CG1-CD2 4.06Å; V664-L673 HydrophobicContact CG1-CG 3.98Å; V664-L673 HydrophobicContact CG2-CD2 4.32Å; Y670-L673 HydrophobicContact CD1-CD1 4.2Å; Y670-L673 WeakPolarHBondContact O-CB 3.35Å; Y670-L673 WeakPolarHBondContact O-CG 3.32Å; Y670-L673 PolarHBondContact O-N 3.43Å; Y670-L673 VanDerWaalsContact O-N 3.08Å; L673-R675 VanDerWaalsContact C-N 3.31Å; L673-R675 PolarHBondContact O-N 2.85Å; L673-I676 PolarHBondContact O-N 2.79Å; L673-W677 PolarHBondContact O-N 3.04Å; L673-F695 HydrophobicContact CB-CE2 4.31Å; L673-F695 HydrophobicContact CB-CZ 3.97Å; L673-F695 HydrophobicContact CD2-CD2 4.27Å; L673-F695 HydrophobicContact CD2-CE2 3.74Å; L673-F695 HydrophobicContact CD2-CZ 4Å; L673-F695 WeakPolarHBondContact O-CE2 3.36Å; L673-F695 WeakPolarHBondContact O-CZ 3.35Å; L673-V698 HydrophobicContact CD1-CG1 4.41Å; L673-A699 HydrophobicContact CD1-CB 4.15Å; L673-V702 HydrophobicContact CD1-CG2 4.36Å; L673-L715 HydrophobicContact CB-CD2 3.76Å; L673-L715 HydrophobicContact CD1-CD1 4.41Å; L673-L715 HydrophobicContact CD1-CD2 4.08Å
674P94.7Very high91.2Very high26 Ų2644 Ų4417%0.16926%0.255CS..Hα-helixtrans-61.9-35.9176.4-2435.5000113.6D671 S678 L711 K714 L715 V718D671-P674 WeakPolarHBondContact O-CD 3.35Å; P674-S678 PolarHBondContact O-N 2.88Å; P674-S678 VanDerWaalsContact O-N 3.1Å; P674-S678 PolarHBondContact O-OG 2.89Å; P674-L711 HydrophobicContact CG-CD1 4.35Å; P674-K714 HydrophobicContact CG-CB 4.18Å; P674-L715 HydrophobicContact CG-CD2 4.4Å; P674-V718 HydrophobicContact CB-CG2 4.43Å
675R94.3Very high90.9Very high96 Ų9647.4 Ų47.436%0.36227%0.267SS..Hα-helixtrans-68.3-46.4175178.259.3170.8175.9-2.5110.3F639 D643 A672 L673 W677 S678 E679F639-R675 HydrophobicContact CD1-CG 4.14Å; F639-R675 HydrophobicContact CD2-CG 4.12Å; F639-R675 HydrophobicContact CE1-CG 3.72Å; F639-R675 HydrophobicContact CE2-CB 4.19Å; F639-R675 HydrophobicContact CE2-CG 3.7Å; F639-R675 HydrophobicContact CG-CG 4.35Å; F639-R675 HydrophobicContact CZ-CB 4.2Å; F639-R675 HydrophobicContact CZ-CG 3.5Å; D643-R675 IonicContact OD1-NH2 2.93Å; D643-R675 PolarHBondContact OD1-NH2 3.46Å; D643-R675 IonicContact OD2-NH2 2.85Å; A672-R675 WeakPolarHBondContact O-CB 3.44Å; A672-R675 PolarHBondContact O-N 3.29Å; L673-R675 VanDerWaalsContact C-N 3.31Å; L673-R675 PolarHBondContact O-N 2.85Å; R675-W677 VanDerWaalsContact C-N 3.3Å; R675-W677 PolarHBondContact O-N 3.22Å; R675-S678 WeakPolarHBondContact O-CB 3.19Å; R675-S678 PolarHBondContact O-N 2.91Å; R675-S678 VanDerWaalsContact O-N 3.13Å; R675-E679 IonicContact CZ-OE1 2.75Å; R675-E679 IonicContact NE-OE1 3.05Å; R675-E679 IonicContact NH1-OE1 2.8Å; R675-E679 PolarHBondContact NH1-OE1 3.03Å; R675-E679 IonicContact NH2-OE1 3.35Å; R675-E679 PolarHBondContact O-N 3.39Å; R675-E679 VanDerWaalsContact O-N 3.13Å
676I95.6Very high90.7Very high1 Ų143.6 Ų43.61%0.00525%0.251CS..Hα-helixtrans-58.8-42.1176.1-64.6167.2000111F635 F639 L660 I661 V664 A672 L673 S678 E679 I680 F695F635-I676 HydrophobicContact CE1-CD1 4.08Å; F639-I676 HydrophobicContact CZ-CG1 4.05Å; L660-I676 HydrophobicContact CB-CD1 4.03Å; L660-I676 HydrophobicContact CB-CG1 4.41Å; L660-I676 HydrophobicContact CD1-CG1 4.39Å; I661-I676 HydrophobicContact CG1-CG2 4.17Å; V664-I676 HydrophobicContact CG2-CD1 3.66Å; A672-I676 HydrophobicContact CB-CD1 4.11Å; A672-I676 WeakPolarHBondContact O-CG1 3.44Å; A672-I676 PolarHBondContact O-N 3.37Å; L673-I676 PolarHBondContact O-N 2.79Å; I676-S678 VanDerWaalsContact C-N 3.34Å; I676-S678 PolarHBondContact O-N 2.79Å; I676-E679 WeakPolarHBondContact O-CB 3.47Å; I676-E679 PolarHBondContact O-N 2.94Å; I676-I680 HydrophobicContact CG2-CD1 4.02Å; I676-I680 WeakPolarHBondContact O-CG1 3.47Å; I676-I680 PolarHBondContact O-N 3.38Å; I676-F695 HydrophobicContact CB-CE2 4.32Å; I676-F695 HydrophobicContact CG2-CD2 4.34Å; I676-F695 HydrophobicContact CG2-CE2 4.12Å
677W96.3Very high90.3Very high7 Ų739.8 Ų39.83%0.02724%0.236CC..Hα-helixtrans-60.6-43.4175.6-178.7-107.6000112.4L673 R675 E679 I680 V681 L692 F695 F696 V718 D721 A722L673-W677 PolarHBondContact O-N 3.04Å; R675-W677 VanDerWaalsContact C-N 3.3Å; R675-W677 PolarHBondContact O-N 3.22Å; W677-E679 PolarHBondContact O-N 3.28Å; W677-I680 HydrophobicContact CE3-CB 4.38Å; W677-I680 HydrophobicContact CE3-CD1 4.14Å; W677-I680 HydrophobicContact CE3-CG2 4.26Å; W677-I680 HydrophobicContact CZ3-CG2 4.09Å; W677-I680 WeakPolarHBondContact O-CB 3.34Å; W677-I680 PolarHBondContact O-N 3.46Å; W677-I680 VanDerWaalsContact O-N 3.12Å; W677-V681 HydrophobicContact CD2-CG2 4.33Å; W677-V681 HydrophobicContact CZ2-CG2 3.99Å; W677-V681 WeakPolarHBondContact O-CG2 3.21Å; W677-V681 PolarHBondContact O-N 3.21Å; W677-L692 HydrophobicContact CH2-CD2 3.72Å; W677-L692 HydrophobicContact CZ3-CD2 3.86Å; W677-F695 HydrophobicContact CB-CE1 4.48Å; W677-F695 HydrophobicContact CB-CE2 4.05Å; W677-F695 HydrophobicContact CB-CZ 3.76Å; W677-F695 HydrophobicContact CE3-CD1 4.07Å; W677-F695 HydrophobicContact CE3-CD2 4.42Å; W677-F695 HydrophobicContact CE3-CE1 4.09Å; W677-F695 HydrophobicContact CE3-CE2 4.42Å; W677-F695 HydrophobicContact CE3-CG 4.25Å; W677-F695 HydrophobicContact CE3-CZ 4.27Å; W677-F695 HydrophobicContact CG-CZ 4.49Å; W677-F695 HydrophobicContact CZ3-CD1 4.5Å; W677-F696 HydrophobicContact CZ3-CE2 4.32Å; W677-V718 HydrophobicContact CB-CG1 3.85Å; W677-V718 HydrophobicContact CB-CG2 4.13Å; W677-V718 HydrophobicContact CD2-CG1 3.58Å; W677-V718 HydrophobicContact CE3-CG1 4.19Å; W677-V718 HydrophobicContact CG-CB 4.26Å; W677-V718 HydrophobicContact CG-CG1 3.37Å; W677-V718 HydrophobicContact CG-CG2 4.04Å; W677-D721 PolarHBondContact NE1-OD2 2.93Å; W677-A722 HydrophobicContact CH2-CB 3.51Å; W677-A722 HydrophobicContact CZ2-CB 3.52Å; W677-A722 HydrophobicContact CZ3-CB 4.45Å
678S93.9Very high90.2Very high54 Ų5437.4 Ų37.438%0.37822%0.224SC..Hα-helixtrans-57.7-41.1176.9-57.20000111P674 R675 I676 V681 L682P674-S678 PolarHBondContact O-N 2.88Å; P674-S678 VanDerWaalsContact O-N 3.1Å; P674-S678 PolarHBondContact O-OG 2.89Å; R675-S678 WeakPolarHBondContact O-CB 3.19Å; R675-S678 PolarHBondContact O-N 2.91Å; R675-S678 VanDerWaalsContact O-N 3.13Å; I676-S678 VanDerWaalsContact C-N 3.34Å; I676-S678 PolarHBondContact O-N 2.79Å; S678-V681 PolarHBondContact O-N 3.13Å; S678-L682 WeakPolarHBondContact O-CB 3.38Å; S678-L682 VanDerWaalsContact O-CG 3.3Å; S678-L682 WeakPolarHBondContact O-CG 3.35Å; S678-L682 PolarHBondContact O-N 2.61Å
679E92.7Very high90.2Very high9 Ų937.3 Ų37.34%0.04222%0.216CC..Hα-helixtrans-66.4-43.5174.4-60.9-53.3135.300112.4Y642 L657 R675 I676 W677 V681 L682 Q683Y642-E679 HydrophobicContact CE1-CG 4.31Å; Y642-E679 WeakPolarHBondContact OH-CG 3.3Å; Y642-E679 PolarHBondContact OH-OE2 3.33Å; L657-E679 HydrophobicContact CD2-CB 4.28Å; R675-E679 IonicContact CZ-OE1 2.75Å; R675-E679 IonicContact NE-OE1 3.05Å; R675-E679 IonicContact NH1-OE1 2.8Å; R675-E679 PolarHBondContact NH1-OE1 3.03Å; R675-E679 IonicContact NH2-OE1 3.35Å; R675-E679 PolarHBondContact O-N 3.39Å; R675-E679 VanDerWaalsContact O-N 3.13Å; I676-E679 WeakPolarHBondContact O-CB 3.47Å; I676-E679 PolarHBondContact O-N 2.94Å; W677-E679 PolarHBondContact O-N 3.28Å; E679-V681 PolarHBondContact O-N 3.46Å; E679-L682 PolarHBondContact O-N 3.38Å; E679-Q683 WeakPolarHBondContact O-CB 3.25Å; E679-Q683 VanDerWaalsContact O-CG 3.24Å; E679-Q683 WeakPolarHBondContact O-CG 3.49Å; E679-Q683 PolarHBondContact O-N 3.19Å
680I94.2Very high90.2Very high0 Ų039.9 Ų39.90%023%0.228CC..Hα-helixtrans-55.6-42.2175.1-70.9164.3000111.1L657 I661 I676 W677 G684 R685 S686 I691 F695L657-I680 HydrophobicContact CD1-CG1 4.22Å; L657-I680 HydrophobicContact CD2-CG1 4.39Å; I661-I680 HydrophobicContact CD1-CD1 4.35Å; I676-I680 HydrophobicContact CG2-CD1 4.02Å; I676-I680 WeakPolarHBondContact O-CG1 3.47Å; I676-I680 PolarHBondContact O-N 3.38Å; W677-I680 HydrophobicContact CE3-CB 4.38Å; W677-I680 HydrophobicContact CE3-CD1 4.14Å; W677-I680 HydrophobicContact CE3-CG2 4.26Å; W677-I680 HydrophobicContact CZ3-CG2 4.09Å; W677-I680 WeakPolarHBondContact O-CB 3.34Å; W677-I680 PolarHBondContact O-N 3.46Å; W677-I680 VanDerWaalsContact O-N 3.12Å; I680-G684 PolarHBondContact O-N 3.27Å; I680-R685 HydrophobicContact CG2-CB 4.25Å; I680-R685 PolarHBondContact O-N 3.47Å; I680-S686 PolarHBondContact O-N 3.49Å; I680-I691 HydrophobicContact CD1-CG2 3.98Å; I680-I691 HydrophobicContact CG1-CG2 4.27Å; I680-I691 HydrophobicContact CG2-CG2 3.81Å; I680-F695 HydrophobicContact CD1-CD2 3.69Å; I680-F695 HydrophobicContact CD1-CE2 4.25Å; I680-F695 HydrophobicContact CD1-CG 4.35Å
681V92Very high90.2Very high32 Ų3238.2 Ų38.219%0.19422%0.221CC..Hα-helixtrans-67.5-50.7177.3171.50000111.1W677 S678 E679 Q683 G684 R725W677-V681 HydrophobicContact CD2-CG2 4.33Å; W677-V681 HydrophobicContact CZ2-CG2 3.99Å; W677-V681 WeakPolarHBondContact O-CG2 3.21Å; W677-V681 PolarHBondContact O-N 3.21Å; S678-V681 PolarHBondContact O-N 3.13Å; E679-V681 PolarHBondContact O-N 3.46Å; V681-Q683 VanDerWaalsContact C-N 3.27Å; V681-Q683 PolarHBondContact O-N 3.13Å; V681-G684 PolarHBondContact O-N 3.12Å; V681-R725 VanDerWaalsContact CG1-CZ 3.49Å
682L88.1Confident90.3Very high86 Ų8632.4 Ų32.445%0.4519%0.19SC..Hα-helixtrans-58.5-39.7-179.9-75.9169.4000111.8T274 S678 E679 G684T274-L682 WeakPolarHBondContact CB-O 3.5Å; T274-L682 HydrophobicContact CG2-CD2 4.43Å; T274-L682 PolarHBondContact OG1-O 3.33Å; S678-L682 WeakPolarHBondContact O-CB 3.38Å; S678-L682 VanDerWaalsContact O-CG 3.3Å; S678-L682 WeakPolarHBondContact O-CG 3.35Å; S678-L682 PolarHBondContact O-N 2.61Å; E679-L682 PolarHBondContact O-N 3.38Å; L682-G684 PolarHBondContact O-N 2.86Å
683Q87Confident90.2Very high14 Ų1434 Ų347%0.06520%0.196CC..THydrogen-bonded Turntrans-73.8-1.6177.4-63.6-50.9-50.300114T274 P652 E679 V681 R685T274-Q683 VanDerWaalsContact O-CD 3.26Å; T274-Q683 PolarHBondContact O-NE2 3.44Å; T274-Q683 PolarHBondContact O-OE1 3Å; P652-Q683 HydrophobicContact CB-CG 4.12Å; P652-Q683 HydrophobicContact CG-CG 4.14Å; E679-Q683 WeakPolarHBondContact O-CB 3.25Å; E679-Q683 VanDerWaalsContact O-CG 3.24Å; E679-Q683 WeakPolarHBondContact O-CG 3.49Å; E679-Q683 PolarHBondContact O-N 3.19Å; V681-Q683 VanDerWaalsContact C-N 3.27Å; V681-Q683 PolarHBondContact O-N 3.13Å; Q683-R685 VanDerWaalsContact C-N 3.32Å; Q683-R685 HydrophobicContact CB-CG 4.22Å; Q683-R685 PolarHBondContact O-N 3.49Å
684G85.2Confident90.2Very high56 Ų5637.2 Ų37.258%0.57721%0.211SC*.THydrogen-bonded Turntrans70.126.9-179.300000113.5I680 V681 L682I680-G684 PolarHBondContact O-N 3.27Å; V681-G684 PolarHBondContact O-N 3.12Å; L682-G684 PolarHBondContact O-N 2.86Å
685R87.1Confident90.3Very high71 Ų7136 Ų3627%0.26820%0.203SC..  trans-106.24.8-176.9-64.1-174.3-175.2-97.24.7114.1F654 I680 Q683 S687 N688 I691F654-R685 VanDerWaalsContact CB-NH1 3.29Å; F654-R685 VanDerWaalsContact N-NH2 3.18Å; I680-R685 HydrophobicContact CG2-CB 4.25Å; I680-R685 PolarHBondContact O-N 3.47Å; Q683-R685 VanDerWaalsContact C-N 3.32Å; Q683-R685 HydrophobicContact CB-CG 4.22Å; Q683-R685 PolarHBondContact O-N 3.49Å; R685-S687 PolarHBondContact O-N 2.86Å; R685-N688 VanDerWaalsContact O-CB 3.32Å; R685-N688 WeakPolarHBondContact O-CB 3.39Å; R685-N688 PolarHBondContact O-N 3.33Å; R685-I691 HydrophobicContact CB-CD1 4.27Å
686S85.3Confident90.3Very high15 Ų1531.4 Ų31.411%0.10519%0.186CC..THydrogen-bonded Turntrans-63.3-10.2-178.748.80000115.2I680I680-S686 PolarHBondContact O-N 3.49Å
687S80.6Confident90.1Very high39 Ų3931.7 Ų31.727%0.27319%0.188SC..THydrogen-bonded Turntrans-103.2-0.1173.664.60000113.9R685 S689 F743R685-S687 PolarHBondContact O-N 2.86Å; S687-S689 PolarHBondContact O-N 2.97Å; S687-F743 WeakPolarHBondContact O-CE2 3.41Å
688N86.5Confident90Very high53 Ų5331.5 Ų31.528%0.28319%0.187SC..  trans-76116.8-178.6-176.6-69000110.2R685 V690 I691 L692R685-N688 VanDerWaalsContact O-CB 3.32Å; R685-N688 WeakPolarHBondContact O-CB 3.39Å; R685-N688 PolarHBondContact O-N 3.33Å; N688-V690 VanDerWaalsContact C-N 3.3Å; N688-V690 PolarHBondContact O-N 3.38Å; N688-V690 PolarHBondContact OD1-N 3.05Å; N688-V690 VanDerWaalsContact OD1-N 3.12Å; N688-I691 HydrophobicContact CB-CB 4.28Å; N688-I691 PolarHBondContact O-N 3.45Å; N688-I691 PolarHBondContact OD1-N 3.48Å; N688-I691 VanDerWaalsContact OD1-N 3.11Å; N688-L692 WeakPolarHBondContact O-CB 3.43Å; N688-L692 VanDerWaalsContact O-CG 3.3Å; N688-L692 WeakPolarHBondContact O-CG 3.44Å; N688-L692 PolarHBondContact O-N 2.99Å
689S83.1Confident90Very high39 Ų3929 Ų2927%0.27317%0.17SC..Hα-helixtrans-60.7-35.2-173.958.50000113.7S687 H693S687-S689 PolarHBondContact O-N 2.97Å; S689-H693 WeakPolarHBondContact O-CB 3.49Å; S689-H693 PolarHBondContact O-N 2.67Å
690V88.2Confident89.9Confident74 Ų7428.7 Ų28.745%0.44817%0.169SC..Hα-helixtrans-71-45.5-179.9-178.30000111.1F654 N688 L692 H693 E694F654-V690 HydrophobicContact CZ-CB 3.93Å; F654-V690 HydrophobicContact CZ-CG1 3.82Å; N688-V690 VanDerWaalsContact C-N 3.3Å; N688-V690 PolarHBondContact O-N 3.38Å; N688-V690 PolarHBondContact OD1-N 3.05Å; N688-V690 VanDerWaalsContact OD1-N 3.12Å; V690-L692 VanDerWaalsContact C-N 3.33Å; V690-L692 PolarHBondContact O-N 3.36Å; V690-H693 WeakPolarHBondContact O-CB 3.29Å; V690-H693 PolarHBondContact O-N 2.89Å; V690-E694 PolarHBondContact O-N 3.48Å; V690-E694 VanDerWaalsContact O-N 3.07Å
691I91.5Very high89.6Confident0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-63.5-41.2175-100.7170.8000111F654 L657 L658 I680 R685 N688 H693 E694 F695F654-I691 HydrophobicContact CD2-CD1 3.48Å; F654-I691 VanDerWaalsContact CD2-CD1 3.48Å; F654-I691 HydrophobicContact CD2-CG1 3.97Å; F654-I691 HydrophobicContact CE2-CB 4.23Å; F654-I691 HydrophobicContact CE2-CD1 3.58Å; F654-I691 HydrophobicContact CE2-CG1 3.54Å; F654-I691 HydrophobicContact CZ-CG1 4.43Å; L657-I691 HydrophobicContact CB-CD1 4.17Å; L657-I691 HydrophobicContact CD1-CD1 4.11Å; L658-I691 HydrophobicContact CD2-CG1 3.79Å; L658-I691 HydrophobicContact CG-CG1 4.29Å; I680-I691 HydrophobicContact CD1-CG2 3.98Å; I680-I691 HydrophobicContact CG1-CG2 4.27Å; I680-I691 HydrophobicContact CG2-CG2 3.81Å; R685-I691 HydrophobicContact CB-CD1 4.27Å; N688-I691 HydrophobicContact CB-CB 4.28Å; N688-I691 PolarHBondContact O-N 3.45Å; N688-I691 PolarHBondContact OD1-N 3.48Å; N688-I691 VanDerWaalsContact OD1-N 3.11Å; I691-H693 VanDerWaalsContact C-N 3.33Å; I691-E694 PolarHBondContact O-N 3.05Å; I691-F695 WeakPolarHBondContact O-CB 3.3Å; I691-F695 PolarHBondContact O-N 3.27Å
692L92.5Very high89.3Confident0 Ų031.4 Ų31.40%018%0.179CC..Hα-helixtrans-62.7-42.7176.8-73.3169.4000111.1W677 N688 V690 F696 I726 L745 V749W677-L692 HydrophobicContact CH2-CD2 3.72Å; W677-L692 HydrophobicContact CZ3-CD2 3.86Å; N688-L692 WeakPolarHBondContact O-CB 3.43Å; N688-L692 VanDerWaalsContact O-CG 3.3Å; N688-L692 WeakPolarHBondContact O-CG 3.44Å; N688-L692 PolarHBondContact O-N 2.99Å; V690-L692 VanDerWaalsContact C-N 3.33Å; V690-L692 PolarHBondContact O-N 3.36Å; L692-F696 HydrophobicContact CD2-CD2 4.3Å; L692-F696 HydrophobicContact CD2-CE2 3.87Å; L692-F696 WeakPolarHBondContact O-CB 3.28Å; L692-F696 VanDerWaalsContact O-CD2 3.31Å; L692-F696 WeakPolarHBondContact O-CD2 3.32Å; L692-F696 PolarHBondContact O-N 3.12Å; L692-I726 HydrophobicContact CD1-CD1 4.14Å; L692-I726 HydrophobicContact CD1-CG1 4.46Å; L692-L745 HydrophobicContact CD1-CD1 4.22Å; L692-V749 HydrophobicContact CB-CG1 3.82Å; L692-V749 HydrophobicContact CB-CG2 4.48Å
693H91.5Very high88.9Confident41 Ų4129.7 Ų29.719%0.1917%0.173CC..Hα-helixtrans-56.9-52.8176.6179.1-92.3000111.6S689 V690 I691 S697 Q746 T748 V749 R752S689-H693 WeakPolarHBondContact O-CB 3.49Å; S689-H693 PolarHBondContact O-N 2.67Å; V690-H693 WeakPolarHBondContact O-CB 3.29Å; V690-H693 PolarHBondContact O-N 2.89Å; I691-H693 VanDerWaalsContact C-N 3.33Å; H693-S697 WeakPolarHBondContact O-CB 3.41Å; H693-S697 PolarHBondContact O-N 3.32Å; H693-Q746 PolarHBondContact CD2-OE1 3.26Å; H693-Q746 VanDerWaalsContact CD2-OE1 3.27Å; H693-T748 PolarHBondContact CD2-OG1 3.07Å; H693-V749 HydrophobicContact CB-CG2 3.97Å; H693-R752 PolarHBondContact CE1-NH1 3.1Å; H693-R752 PolarHBondContact NE2-NH1 3.34Å
694E93.6Very high88.1Confident69 Ų6933.2 Ų33.232%0.32220%0.196SC..Hα-helixtrans-72-37.8-179-69.4-40.7142.200113.8L658 I661 V690 I691 F696 S697 V698L658-E694 HydrophobicContact CD2-CB 4.16Å; L658-E694 HydrophobicContact CD2-CG 4.21Å; I661-E694 HydrophobicContact CG2-CB 4.12Å; I661-E694 WeakPolarHBondContact CG2-O 3.49Å; V690-E694 PolarHBondContact O-N 3.48Å; V690-E694 VanDerWaalsContact O-N 3.07Å; I691-E694 PolarHBondContact O-N 3.05Å; E694-F696 VanDerWaalsContact C-N 3.33Å; E694-F696 PolarHBondContact O-N 2.96Å; E694-S697 PolarHBondContact O-N 3.28Å; E694-S697 PolarHBondContact O-OG 3.09Å; E694-S697 PolarHBondContact OE2-OG 3.25Å; E694-V698 PolarHBondContact O-N 3.13Å
695F96.3Very high87.1Confident0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-60.9-46.3178.1-172.5-85.6000111.2I661 L673 I676 W677 I680 I691 V698 A699 V718I661-F695 HydrophobicContact CD1-CB 4Å; I661-F695 HydrophobicContact CD1-CD2 4.09Å; I661-F695 HydrophobicContact CG1-CD2 4.13Å; L673-F695 HydrophobicContact CB-CE2 4.31Å; L673-F695 HydrophobicContact CB-CZ 3.97Å; L673-F695 HydrophobicContact CD2-CD2 4.27Å; L673-F695 HydrophobicContact CD2-CE2 3.74Å; L673-F695 HydrophobicContact CD2-CZ 4Å; L673-F695 WeakPolarHBondContact O-CE2 3.36Å; L673-F695 WeakPolarHBondContact O-CZ 3.35Å; I676-F695 HydrophobicContact CB-CE2 4.32Å; I676-F695 HydrophobicContact CG2-CD2 4.34Å; I676-F695 HydrophobicContact CG2-CE2 4.12Å; W677-F695 HydrophobicContact CB-CE1 4.48Å; W677-F695 HydrophobicContact CB-CE2 4.05Å; W677-F695 HydrophobicContact CB-CZ 3.76Å; W677-F695 HydrophobicContact CE3-CD1 4.07Å; W677-F695 HydrophobicContact CE3-CD2 4.42Å; W677-F695 HydrophobicContact CE3-CE1 4.09Å; W677-F695 HydrophobicContact CE3-CE2 4.42Å; W677-F695 HydrophobicContact CE3-CG 4.25Å; W677-F695 HydrophobicContact CE3-CZ 4.27Å; W677-F695 HydrophobicContact CG-CZ 4.49Å; W677-F695 HydrophobicContact CZ3-CD1 4.5Å; I680-F695 HydrophobicContact CD1-CD2 3.69Å; I680-F695 HydrophobicContact CD1-CE2 4.25Å; I680-F695 HydrophobicContact CD1-CG 4.35Å; I691-F695 WeakPolarHBondContact O-CB 3.3Å; I691-F695 PolarHBondContact O-N 3.27Å; F695-V698 PolarHBondContact O-N 3.34Å; F695-A699 HydrophobicContact CD1-CB 4.31Å; F695-A699 HydrophobicContact CE1-CB 4.08Å; F695-A699 VanDerWaalsContact O-CB 3.3Å; F695-A699 WeakPolarHBondContact O-CB 3.12Å; F695-A699 PolarHBondContact O-N 3.11Å; F695-V718 HydrophobicContact CE1-CG1 3.7Å; F695-V718 HydrophobicContact CZ-CG1 4.09Å
696F95Very high85.9Confident0 Ų034.5 Ų34.50%021%0.205CC..Hα-helixtrans-80.4-17.6-179.5-72.9-70.8000113.5W677 L692 E694 V698 A699 S700 V718 A719 A722 R752 I753W677-F696 HydrophobicContact CZ3-CE2 4.32Å; L692-F696 HydrophobicContact CD2-CD2 4.3Å; L692-F696 HydrophobicContact CD2-CE2 3.87Å; L692-F696 WeakPolarHBondContact O-CB 3.28Å; L692-F696 VanDerWaalsContact O-CD2 3.31Å; L692-F696 WeakPolarHBondContact O-CD2 3.32Å; L692-F696 PolarHBondContact O-N 3.12Å; E694-F696 VanDerWaalsContact C-N 3.33Å; E694-F696 PolarHBondContact O-N 2.96Å; F696-V698 VanDerWaalsContact C-N 3.28Å; F696-A699 HydrophobicContact CD1-CB 4.31Å; F696-S700 VanDerWaalsContact O-CB 3.28Å; F696-S700 WeakPolarHBondContact O-CB 3.48Å; F696-S700 PolarHBondContact O-N 2.94Å; F696-S700 VanDerWaalsContact O-N 3.13Å; F696-S700 PolarHBondContact O-OG 2.96Å; F696-V718 HydrophobicContact CZ-CG1 4.46Å; F696-A719 HydrophobicContact CE1-CB 3.83Å; F696-A719 HydrophobicContact CZ-CB 4.38Å; F696-A722 HydrophobicContact CE2-CB 3.7Å; F696-A722 HydrophobicContact CZ-CB 3.54Å; F696-R752 HydrophobicContact CB-CB 3.79Å; F696-I753 HydrophobicContact CD1-CG1 3.89Å; F696-I753 HydrophobicContact CD2-CD1 4.11Å; F696-I753 HydrophobicContact CD2-CG1 3.63Å; F696-I753 HydrophobicContact CE1-CG1 3.88Å; F696-I753 HydrophobicContact CE2-CD1 3.91Å; F696-I753 HydrophobicContact CE2-CG1 3.61Å; F696-I753 HydrophobicContact CG-CG1 3.8Å; F696-I753 HydrophobicContact CZ-CD1 4.35Å; F696-I753 HydrophobicContact CZ-CG1 3.76Å
697S92.5Very high84.5Confident7 Ų740.6 Ų40.65%0.04924%0.237CC..Hα-helixtrans-60.5-42.1169.778.50000110.8H693 E694 Q701H693-S697 WeakPolarHBondContact O-CB 3.41Å; H693-S697 PolarHBondContact O-N 3.32Å; E694-S697 PolarHBondContact O-N 3.28Å; E694-S697 PolarHBondContact O-OG 3.09Å; E694-S697 PolarHBondContact OE2-OG 3.25Å; S697-Q701 WeakPolarHBondContact O-CG 2.93Å; S697-Q701 PolarHBondContact O-NE2 3.37Å
698V93.7Very high83Confident3 Ų345 Ų452%0.01825%0.253CS..Hα-helixtrans-80.5-49.1177.5-175.10000111.4I661 V664 E665 Y670 L673 E694 F695 F696 S700 Q701 V702I661-V698 HydrophobicContact CG2-CB 4.43Å; I661-V698 HydrophobicContact CG2-CG2 3.73Å; V664-V698 HydrophobicContact CB-CG1 4.45Å; V664-V698 HydrophobicContact CG1-CG1 3.85Å; E665-V698 HydrophobicContact CB-CG1 4.19Å; E665-V698 HydrophobicContact CB-CG2 3.87Å; E665-V698 HydrophobicContact CG-CG2 4.32Å; Y670-V698 HydrophobicContact CD1-CG1 4.17Å; Y670-V698 HydrophobicContact CE1-CG1 3.89Å; L673-V698 HydrophobicContact CD1-CG1 4.41Å; E694-V698 PolarHBondContact O-N 3.13Å; F695-V698 PolarHBondContact O-N 3.34Å; F696-V698 VanDerWaalsContact C-N 3.28Å; V698-S700 VanDerWaalsContact C-N 3.29Å; V698-S700 PolarHBondContact O-N 3.28Å; V698-Q701 PolarHBondContact O-N 2.89Å; V698-V702 PolarHBondContact O-N 3.46Å
699A93.6Very high81.8Confident2 Ų246.6 Ų46.62%0.01727%0.268CS..Hα-helixtrans-64.4-29.2-174.100000114L673 F695 F696 Q701 L715L673-A699 HydrophobicContact CD1-CB 4.15Å; F695-A699 HydrophobicContact CD1-CB 4.31Å; F695-A699 HydrophobicContact CE1-CB 4.08Å; F695-A699 VanDerWaalsContact O-CB 3.3Å; F695-A699 WeakPolarHBondContact O-CB 3.12Å; F695-A699 PolarHBondContact O-N 3.11Å; F696-A699 HydrophobicContact CD1-CB 4.31Å; A699-Q701 VanDerWaalsContact C-N 3.31Å; A699-L715 HydrophobicContact CB-CD2 4.43Å
700S90.3Very high81.7Confident1 Ų149.4 Ų49.41%0.00728%0.28CS..THydrogen-bonded Turntrans-79-16176.764.40000113.4F696 V698 T756 R759F696-S700 VanDerWaalsContact O-CB 3.28Å; F696-S700 WeakPolarHBondContact O-CB 3.48Å; F696-S700 PolarHBondContact O-N 2.94Å; F696-S700 VanDerWaalsContact O-N 3.13Å; F696-S700 PolarHBondContact O-OG 2.96Å; V698-S700 VanDerWaalsContact C-N 3.29Å; V698-S700 PolarHBondContact O-N 3.28Å; S700-T756 WeakPolarHBondContact CA-OG1 3.29Å; S700-R759 PolarHBondContact O-NH1 3.32Å
701Q87.4Confident81.8Confident87 Ų8746.4 Ų46.441%0.40726%0.262SS..SBendtrans-105.34.7-175-69-162.57100114.7S697 V698 A699S697-Q701 WeakPolarHBondContact O-CG 2.93Å; S697-Q701 PolarHBondContact O-NE2 3.37Å; V698-Q701 PolarHBondContact O-N 2.89Å; A699-Q701 VanDerWaalsContact C-N 3.31Å
702V86.7Confident81.7Confident2 Ų247.4 Ų47.41%0.01227%0.267CS..  trans-47.1126.3175.8179.60000110.2Y670 L673 V698 L711 L712 L715 R759Y670-V702 HydrophobicContact CD1-CB 4.46Å; Y670-V702 HydrophobicContact CD1-CG1 4.49Å; Y670-V702 HydrophobicContact CD1-CG2 3.71Å; Y670-V702 HydrophobicContact CD2-CG1 4.42Å; Y670-V702 HydrophobicContact CE1-CG2 4.28Å; Y670-V702 HydrophobicContact CG-CG1 4.15Å; Y670-V702 HydrophobicContact CG-CG2 4.1Å; L673-V702 HydrophobicContact CD1-CG2 4.36Å; V698-V702 PolarHBondContact O-N 3.46Å; V702-L711 HydrophobicContact CG1-CD2 4.15Å; V702-L712 HydrophobicContact CB-CD2 4.36Å; V702-L712 HydrophobicContact CG1-CD2 4.41Å; V702-L715 HydrophobicContact CG2-CD1 3.7Å; V702-R759 PolarHBondContact O-NH1 3.46Å; V702-R759 PolarHBondContact O-NH2 3.38Å
703P79.5Confident81.5Confident50 Ų5050.8 Ų50.833%0.32529%0.287SS..  trans-62142.7-179.2-22.232.1000111.7Y670 S705 V706Y670-P703 VanDerWaalsContact CE2-CD 3.46Å; Y670-P703 HydrophobicContact CE2-CG 4.08Å; P703-S705 PolarHBondContact O-N 3.48Å; P703-V706 HydrophobicContact CB-CG2 4.36Å; P703-V706 PolarHBondContact O-N 3.24Å
704T69.1Low81.6Confident89 Ų8953.9 Ų53.955%0.54630%0.3SS..THydrogen-bonded Turntrans-63.1-20.6175.228.30000113.1V706 E708T704-V706 PolarHBondContact O-N 3.22Å; T704-E708 WeakPolarHBondContact O-CG 3.36Å
705S65.1Low81.6Confident109 Ų10950.6 Ų50.676%0.76229%0.285SS*.THydrogen-bonded Turntrans-70.6-8.4178.4610000115.1P703P703-S705 PolarHBondContact O-N 3.48Å
706V60.9Low81.4Confident44 Ų4450.9 Ų50.927%0.26729%0.287SS..SBendtrans-92.7109.3-178.6-173.80000108.8P703 T704 E708 L711P703-V706 HydrophobicContact CB-CG2 4.36Å; P703-V706 PolarHBondContact O-N 3.24Å; T704-V706 PolarHBondContact O-N 3.22Å; V706-E708 PolarHBondContact O-N 2.96Å; V706-E708 VanDerWaalsContact O-N 3.13Å; V706-L711 HydrophobicContact CG1-CD2 4.15Å
707D56.3Low81.4Confident144 Ų14455.4 Ų55.477%0.7732%0.315SS*.  trans-4.690.5-175.4-154.52.8000115.3S709D707-S709 VanDerWaalsContact C-N 3.28Å; D707-S709 PolarHBondContact O-N 3.49Å
708E50Low81.6Confident130 Ų13055.6 Ų55.661%0.60732%0.315SS*.THydrogen-bonded Turntrans-59.1-18.8-151.9-75-179.5146.500116.9T704 V706T704-E708 WeakPolarHBondContact O-CG 3.36Å; V706-E708 PolarHBondContact O-N 2.96Å; V706-E708 VanDerWaalsContact O-N 3.13Å
709S60Low81.7Confident87 Ų8755.5 Ų55.561%0.60832%0.315SS*.THydrogen-bonded Turntrans-96.9-37.5-167.771.20000115.1D707 V713D707-S709 VanDerWaalsContact C-N 3.28Å; D707-S709 PolarHBondContact O-N 3.49Å; S709-V713 WeakPolarHBondContact O-CB 3.37Å; S709-V713 WeakPolarHBondContact O-CG2 3.43Å
710N82.1Confident81.7Confident99 Ų9957.5 Ų57.553%0.52933%0.325SS..Hα-helixtrans-97.1-37.7-165.9-147.9-10.6000113K714N710-K714 VanDerWaalsContact O-CG 3.25Å; N710-K714 WeakPolarHBondContact O-CG 3.2Å; N710-K714 PolarHBondContact O-N 3.35Å; N710-K714 VanDerWaalsContact O-N 3.08Å
711L89.5Confident81.9Confident11 Ų1159.7 Ų59.76%0.05834%0.337CS..Hα-helixtrans-71.2-48.7-180-179.662.1000111.9P674 V702 V706 V713 K714 L715P674-L711 HydrophobicContact CG-CD1 4.35Å; V702-L711 HydrophobicContact CG1-CD2 4.15Å; V706-L711 HydrophobicContact CG1-CD2 4.15Å; L711-V713 VanDerWaalsContact C-N 3.25Å; L711-V713 PolarHBondContact O-N 3.38Å; L711-K714 WeakPolarHBondContact O-CB 3.42Å; L711-K714 PolarHBondContact O-N 3.3Å; L711-K714 VanDerWaalsContact O-N 3.1Å; L711-L715 HydrophobicContact CD1-CD1 4.37Å; L711-L715 HydrophobicContact CD1-CG 4.26Å; L711-L715 HydrophobicContact CG-CD1 4.09Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 WeakPolarHBondContact O-CG 3.16Å; L711-L715 PolarHBondContact O-N 3.09Å
712L89.2Confident82.2Confident21 Ų2155.6 Ų55.611%0.1132%0.318CS..Hα-helixtrans-60.3-37.2179.2-67.4178.1000111.7V702 L715 A716 G760V702-L712 HydrophobicContact CB-CD2 4.36Å; V702-L712 HydrophobicContact CG1-CD2 4.41Å; L712-L715 PolarHBondContact O-N 3.47Å; L712-A716 PolarHBondContact O-N 3.49Å; L712-G760 WeakPolarHBondContact O-CA 3.48Å
713V90.1Very high82.4Confident71 Ų7155.6 Ų55.643%0.4332%0.317SS..Hα-helixtrans-65-45.1173.7171.20000111.3S709 L711 L715 A716 V717S709-V713 WeakPolarHBondContact O-CB 3.37Å; S709-V713 WeakPolarHBondContact O-CG2 3.43Å; L711-V713 VanDerWaalsContact C-N 3.25Å; L711-V713 PolarHBondContact O-N 3.38Å; V713-L715 VanDerWaalsContact C-N 3.3Å; V713-L715 PolarHBondContact O-N 3.38Å; V713-A716 PolarHBondContact O-N 3.23Å; V713-V717 WeakPolarHBondContact O-CG2 3.42Å; V713-V717 PolarHBondContact O-N 2.9Å
714K92.4Very high83Confident105 Ų10556.2 Ų56.246%0.45732%0.316SS..Hα-helixtrans-60-40.1173.8-72.8170.3-174.3177.30111.9P674 N710 L711 V717 V718P674-K714 HydrophobicContact CG-CB 4.18Å; N710-K714 VanDerWaalsContact O-CG 3.25Å; N710-K714 WeakPolarHBondContact O-CG 3.2Å; N710-K714 PolarHBondContact O-N 3.35Å; N710-K714 VanDerWaalsContact O-N 3.08Å; L711-K714 WeakPolarHBondContact O-CB 3.42Å; L711-K714 PolarHBondContact O-N 3.3Å; L711-K714 VanDerWaalsContact O-N 3.1Å; K714-V717 WeakPolarHBondContact O-CB 3.3Å; K714-V717 PolarHBondContact O-N 3.49Å; K714-V718 WeakPolarHBondContact O-CG2 3.39Å; K714-V718 PolarHBondContact O-N 2.95Å
715L93.9Very high84Confident1 Ų156.1 Ų56.11%0.00531%0.306CS..Hα-helixtrans-69.1-33.5177-69176000112.4L673 P674 A699 V702 L711 L712 V713 V717 V718 A719 T756L673-L715 HydrophobicContact CB-CD2 3.76Å; L673-L715 HydrophobicContact CD1-CD1 4.41Å; L673-L715 HydrophobicContact CD1-CD2 4.08Å; P674-L715 HydrophobicContact CG-CD2 4.4Å; A699-L715 HydrophobicContact CB-CD2 4.43Å; V702-L715 HydrophobicContact CG2-CD1 3.7Å; L711-L715 HydrophobicContact CD1-CD1 4.37Å; L711-L715 HydrophobicContact CD1-CG 4.26Å; L711-L715 HydrophobicContact CG-CD1 4.09Å; L711-L715 HydrophobicContact CG-CG 4.4Å; L711-L715 WeakPolarHBondContact O-CG 3.16Å; L711-L715 PolarHBondContact O-N 3.09Å; L712-L715 PolarHBondContact O-N 3.47Å; V713-L715 VanDerWaalsContact C-N 3.3Å; V713-L715 PolarHBondContact O-N 3.38Å; L715-V717 VanDerWaalsContact C-N 3.33Å; L715-V718 WeakPolarHBondContact O-CB 3.4Å; L715-V718 PolarHBondContact O-N 2.76Å; L715-A719 WeakPolarHBondContact O-CB 3.25Å; L715-A719 PolarHBondContact O-N 3.1Å; L715-T756 HydrophobicContact CB-CG2 3.85Å
716A92.8Very high84.9Confident5 Ų551 Ų514%0.04127%0.27CS..Hα-helixtrans-66.5-34.7170.600000112.2L712 V713 A719 N720 L757 N762L712-A716 PolarHBondContact O-N 3.49Å; V713-A716 PolarHBondContact O-N 3.23Å; A716-A719 PolarHBondContact O-N 2.89Å; A716-N720 WeakPolarHBondContact O-CB 3.48Å; A716-N720 PolarHBondContact O-N 2.87Å; A716-L757 WeakPolarHBondContact O-CD2 3.44Å; A716-N762 HydrophobicContact CB-CB 4.38Å
717V95Very high86Confident96 Ų9651.8 Ų51.858%0.58227%0.268SS*.Hα-helixtrans-62.7-44.4170.9174.70000110.7V713 K714 L715 N720 D721V713-V717 WeakPolarHBondContact O-CG2 3.42Å; V713-V717 PolarHBondContact O-N 2.9Å; K714-V717 WeakPolarHBondContact O-CB 3.3Å; K714-V717 PolarHBondContact O-N 3.49Å; L715-V717 VanDerWaalsContact C-N 3.33Å; V717-N720 PolarHBondContact O-N 2.94Å; V717-D721 PolarHBondContact O-N 3.37Å
718V95.7Very high87.3Confident11 Ų1146.9 Ų46.97%0.06725%0.245CC..Hα-helixtrans-60.4-48174.9165.50000111.7P674 W677 F695 F696 K714 L715 N720 D721 A722P674-V718 HydrophobicContact CB-CG2 4.43Å; W677-V718 HydrophobicContact CB-CG1 3.85Å; W677-V718 HydrophobicContact CB-CG2 4.13Å; W677-V718 HydrophobicContact CD2-CG1 3.58Å; W677-V718 HydrophobicContact CE3-CG1 4.19Å; W677-V718 HydrophobicContact CG-CB 4.26Å; W677-V718 HydrophobicContact CG-CG1 3.37Å; W677-V718 HydrophobicContact CG-CG2 4.04Å; F695-V718 HydrophobicContact CE1-CG1 3.7Å; F695-V718 HydrophobicContact CZ-CG1 4.09Å; F696-V718 HydrophobicContact CZ-CG1 4.46Å; K714-V718 WeakPolarHBondContact O-CG2 3.39Å; K714-V718 PolarHBondContact O-N 2.95Å; L715-V718 WeakPolarHBondContact O-CB 3.4Å; L715-V718 PolarHBondContact O-N 2.76Å; V718-N720 VanDerWaalsContact C-N 3.29Å; V718-N720 PolarHBondContact O-N 3.35Å; V718-D721 PolarHBondContact O-N 3.05Å; V718-A722 PolarHBondContact O-N 3.1Å
719A95.3Very high88.7Confident0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-61.6-38.2178.900000111.9F696 L715 A716 A722 Y723 I753 T756 L757F696-A719 HydrophobicContact CE1-CB 3.83Å; F696-A719 HydrophobicContact CZ-CB 4.38Å; L715-A719 WeakPolarHBondContact O-CB 3.25Å; L715-A719 PolarHBondContact O-N 3.1Å; A716-A719 PolarHBondContact O-N 2.89Å; A719-A722 PolarHBondContact O-N 3.17Å; A719-Y723 WeakPolarHBondContact O-CB 3.5Å; A719-Y723 PolarHBondContact O-N 3.47Å; A719-I753 HydrophobicContact CB-CG2 4.22Å; A719-T756 HydrophobicContact CB-CG2 3.9Å; A719-L757 HydrophobicContact CB-CD2 4Å; A719-L757 HydrophobicContact CB-CG 3.78Å
720N94.9Very high89.3Confident44 Ų4439.7 Ų39.724%0.23520%0.203CC..Hα-helixtrans-66.6-44.6175-172.754.6000112A716 V717 V718 A722 Y723 E724 L757 R765A716-N720 WeakPolarHBondContact O-CB 3.48Å; A716-N720 PolarHBondContact O-N 2.87Å; V717-N720 PolarHBondContact O-N 2.94Å; V718-N720 VanDerWaalsContact C-N 3.29Å; V718-N720 PolarHBondContact O-N 3.35Å; N720-A722 VanDerWaalsContact C-N 3.32Å; N720-A722 PolarHBondContact O-N 2.99Å; N720-Y723 PolarHBondContact O-N 3.41Å; N720-E724 WeakPolarHBondContact O-CG 3.3Å; N720-E724 PolarHBondContact O-N 2.87Å; N720-L757 HydrophobicContact CB-CD2 3.89Å; N720-R765 VanDerWaalsContact OD1-CG 3.27Å; N720-R765 WeakPolarHBondContact OD1-CG 3.37Å
721D95Very high89Confident48 Ų4838.6 Ų38.626%0.25720%0.195SC..Hα-helixtrans-60.3-42.4175.3176.274.3000111.5W677 V717 V718 E724 R725W677-D721 PolarHBondContact NE1-OD2 2.93Å; V717-D721 PolarHBondContact O-N 3.37Å; V718-D721 PolarHBondContact O-N 3.05Å; D721-E724 PolarHBondContact O-N 2.98Å; D721-R725 VanDerWaalsContact CG-NE 3.26Å; D721-R725 WeakPolarHBondContact O-CB 3.34Å; D721-R725 VanDerWaalsContact O-CG 3.24Å; D721-R725 WeakPolarHBondContact O-CG 3.47Å; D721-R725 PolarHBondContact O-N 3.03Å; D721-R725 IonicContact OD1-CZ 3.73Å; D721-R725 IonicContact OD1-NE 2.68Å; D721-R725 PolarHBondContact OD1-NE 3.19Å; D721-R725 VanDerWaalsContact OD1-NE 3.11Å; D721-R725 IonicContact OD1-NH2 3.35Å; D721-R725 PolarHBondContact OD1-NH2 3.34Å; D721-R725 IonicContact OD2-CZ 3.15Å; D721-R725 IonicContact OD2-NE 2.75Å; D721-R725 PolarHBondContact OD2-NE 2.85Å; D721-R725 IonicContact OD2-NH2 2.65Å; D721-R725 PolarHBondContact OD2-NH2 3.22Å
722A93.7Very high88.1Confident0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-60-47.1174.200000112W677 F696 V718 A719 N720 R725 I726 I753W677-A722 HydrophobicContact CH2-CB 3.51Å; W677-A722 HydrophobicContact CZ2-CB 3.52Å; W677-A722 HydrophobicContact CZ3-CB 4.45Å; F696-A722 HydrophobicContact CE2-CB 3.7Å; F696-A722 HydrophobicContact CZ-CB 3.54Å; V718-A722 PolarHBondContact O-N 3.1Å; A719-A722 PolarHBondContact O-N 3.17Å; N720-A722 VanDerWaalsContact C-N 3.32Å; N720-A722 PolarHBondContact O-N 2.99Å; A722-R725 PolarHBondContact O-N 2.98Å; A722-I726 VanDerWaalsContact O-CG1 3.29Å; A722-I726 WeakPolarHBondContact O-CG1 3.2Å; A722-I726 PolarHBondContact O-N 3.45Å; A722-I753 HydrophobicContact CB-CD1 4.36Å
723Y90.9Very high86.9Confident2 Ų247 Ų471%0.00823%0.226CC..Hα-helixtrans-59.5-49.2177.6173.6-102.8000112.2A719 N720 R725 I726 R727 T769 I772A719-Y723 WeakPolarHBondContact O-CB 3.5Å; A719-Y723 PolarHBondContact O-N 3.47Å; N720-Y723 PolarHBondContact O-N 3.41Å; Y723-R725 VanDerWaalsContact C-N 3.3Å; Y723-R725 PolarHBondContact O-N 3.2Å; Y723-I726 PolarHBondContact O-N 2.97Å; Y723-R727 WeakPolarHBondContact O-CB 3.47Å; Y723-R727 PolarHBondContact O-N 3.04Å; Y723-T769 HydrophobicContact CD2-CG2 3.88Å; Y723-T769 WeakPolarHBondContact CD2-OG1 3.43Å; Y723-T769 HydrophobicContact CE2-CG2 4.16Å; Y723-I772 HydrophobicContact CE2-CD1 3.75Å
724E91.3Very high85.4Confident64 Ų6447 Ų4730%0.29922%0.222SC..Hα-helixtrans-63.6-35.4-179.7-69.8-66.2169.400112.2N720 D721 R727 S728 R765N720-E724 WeakPolarHBondContact O-CG 3.3Å; N720-E724 PolarHBondContact O-N 2.87Å; D721-E724 PolarHBondContact O-N 2.98Å; E724-R727 PolarHBondContact O-N 3.36Å; E724-S728 WeakPolarHBondContact O-CB 3.43Å; E724-S728 PolarHBondContact O-N 2.93Å; E724-R765 IonicContact OE1-CZ 3.72Å; E724-R765 IonicContact OE1-NE 3.83Å; E724-R765 IonicContact OE1-NH2 2.9Å; E724-R765 PolarHBondContact OE1-NH2 2.97Å
725R89.5Confident83.8Confident87 Ų8751.3 Ų51.333%0.32824%0.24SC..Hα-helixtrans-66.4-44.3174.3-72.4173.2-168-71.5-14.6112.2V681 D721 A722 Y723 S728 L729V681-R725 VanDerWaalsContact CG1-CZ 3.49Å; D721-R725 VanDerWaalsContact CG-NE 3.26Å; D721-R725 WeakPolarHBondContact O-CB 3.34Å; D721-R725 VanDerWaalsContact O-CG 3.24Å; D721-R725 WeakPolarHBondContact O-CG 3.47Å; D721-R725 PolarHBondContact O-N 3.03Å; D721-R725 IonicContact OD1-CZ 3.73Å; D721-R725 IonicContact OD1-NE 2.68Å; D721-R725 PolarHBondContact OD1-NE 3.19Å; D721-R725 VanDerWaalsContact OD1-NE 3.11Å; D721-R725 IonicContact OD1-NH2 3.35Å; D721-R725 PolarHBondContact OD1-NH2 3.34Å; D721-R725 IonicContact OD2-CZ 3.15Å; D721-R725 IonicContact OD2-NE 2.75Å; D721-R725 PolarHBondContact OD2-NE 2.85Å; D721-R725 IonicContact OD2-NH2 2.65Å; D721-R725 PolarHBondContact OD2-NH2 3.22Å; A722-R725 PolarHBondContact O-N 2.98Å; Y723-R725 VanDerWaalsContact C-N 3.3Å; Y723-R725 PolarHBondContact O-N 3.2Å; R725-S728 PolarHBondContact O-N 3.38Å; R725-L729 PolarHBondContact O-N 2.72Å; R725-L729 VanDerWaalsContact O-N 3.1Å
726I85Confident82.2Confident1 Ų159.1 Ų59.11%0.00527%0.274CS..Hα-helixtrans-60.4-51175.1-68.4164.5000108.9L692 A722 Y723 S728 L729 Y730 L745 I753 M788L692-I726 HydrophobicContact CD1-CD1 4.14Å; L692-I726 HydrophobicContact CD1-CG1 4.46Å; A722-I726 VanDerWaalsContact O-CG1 3.29Å; A722-I726 WeakPolarHBondContact O-CG1 3.2Å; A722-I726 PolarHBondContact O-N 3.45Å; Y723-I726 PolarHBondContact O-N 2.97Å; I726-S728 PolarHBondContact O-N 2.99Å; I726-L729 WeakPolarHBondContact O-CB 3.49Å; I726-L729 PolarHBondContact O-N 3.28Å; I726-Y730 HydrophobicContact CG2-CD2 4.08Å; I726-Y730 HydrophobicContact CG2-CE2 3.91Å; I726-Y730 VanDerWaalsContact O-CD2 3.28Å; I726-Y730 WeakPolarHBondContact O-CD2 3.41Å; I726-Y730 PolarHBondContact O-N 3.36Å; I726-L745 HydrophobicContact CD1-CD1 4.32Å; I726-L745 HydrophobicContact CD1-CD2 4.3Å; I726-L745 HydrophobicContact CG2-CD2 3.81Å; I726-I753 HydrophobicContact CD1-CD1 3.88Å; I726-M788 HydrophobicContact CG2-CE 4.02Å; I726-M788 HydrophobicContact CG2-SD 4.25Å
727R83.5Confident80.3Confident60 Ų6062.6 Ų62.623%0.22630%0.303CS..Hα-helixtrans-54.5-50.6177.2-177.6-177177.3149.96.8112.5Y723 E724 L729 Y730 E731 E768 M788Y723-R727 WeakPolarHBondContact O-CB 3.47Å; Y723-R727 PolarHBondContact O-N 3.04Å; E724-R727 PolarHBondContact O-N 3.36Å; R727-L729 VanDerWaalsContact C-N 3.29Å; R727-L729 PolarHBondContact O-N 3.01Å; R727-Y730 PolarHBondContact O-N 3.21Å; R727-E731 HydrophobicContact CG-CG 4.48Å; R727-E731 IonicContact CZ-OE1 3.91Å; R727-E731 IonicContact NE-OE1 3.17Å; R727-E731 PolarHBondContact NE-OE1 3.47Å; R727-E731 IonicContact NH2-OE1 3.04Å; R727-E731 PolarHBondContact O-N 3.4Å; R727-E768 IonicContact NH1-OE1 2.91Å; R727-E768 PolarHBondContact NH1-OE1 3.42Å; R727-M788 HydrophobicContact CB-CE 4.32Å
728S83.8Confident78.4Confident41 Ų4167.9 Ų67.929%0.28731%0.312SS..Hα-helixtrans-61.5-34.3-180176.90000113.2E724 R725 I726 R732E724-S728 WeakPolarHBondContact O-CB 3.43Å; E724-S728 PolarHBondContact O-N 2.93Å; R725-S728 PolarHBondContact O-N 3.38Å; I726-S728 PolarHBondContact O-N 2.99Å; S728-R732 WeakPolarHBondContact O-CB 3.32Å; S728-R732 WeakPolarHBondContact O-CG 3.36Å; S728-R732 PolarHBondContact O-N 3.03Å
729L78.6Confident76.4Confident65 Ų6570.2 Ų70.234%0.3432%0.324SS..Hα-helixtrans-61.5-48.5175-86160.9000111R725 I726 R727 R732 E733R725-L729 PolarHBondContact O-N 2.72Å; R725-L729 VanDerWaalsContact O-N 3.1Å; I726-L729 WeakPolarHBondContact O-CB 3.49Å; I726-L729 PolarHBondContact O-N 3.28Å; R727-L729 VanDerWaalsContact C-N 3.29Å; R727-L729 PolarHBondContact O-N 3.01Å; L729-R732 PolarHBondContact O-N 3.42Å; L729-E733 PolarHBondContact O-N 3.04Å
730Y73Confident74.4Confident2 Ų273.5 Ų73.51%0.00835%0.345CS..Hα-helixtrans-64.2-42.8177.7-78.3-81.8000112.3I726 R727 R732 E733 E734 L739 F743 M788 T791I726-Y730 HydrophobicContact CG2-CD2 4.08Å; I726-Y730 HydrophobicContact CG2-CE2 3.91Å; I726-Y730 VanDerWaalsContact O-CD2 3.28Å; I726-Y730 WeakPolarHBondContact O-CD2 3.41Å; I726-Y730 PolarHBondContact O-N 3.36Å; R727-Y730 PolarHBondContact O-N 3.21Å; Y730-R732 PolarHBondContact O-N 3.41Å; Y730-E733 PolarHBondContact O-N 3.38Å; Y730-E734 PolarHBondContact O-N 3.43Å; Y730-L739 HydrophobicContact CD1-CD2 4.37Å; Y730-L739 HydrophobicContact CE1-CD2 3.99Å; Y730-F743 HydrophobicContact CE2-CE1 4.11Å; Y730-M788 HydrophobicContact CD1-CB 4.46Å; Y730-M788 HydrophobicContact CD2-CE 3.55Å; Y730-M788 HydrophobicContact CD2-CG 3.92Å; Y730-M788 HydrophobicContact CD2-SD 4.41Å; Y730-M788 HydrophobicContact CE1-CG 4.46Å; Y730-M788 HydrophobicContact CE2-CE 4.21Å; Y730-M788 HydrophobicContact CE2-CG 3.77Å; Y730-M788 HydrophobicContact CG-CB 4.44Å; Y730-M788 HydrophobicContact CG-CE 4.06Å; Y730-M788 HydrophobicContact CG-CG 4.33Å; Y730-T791 WeakPolarHBondContact CE1-OG1 3.21Å; Y730-T791 PolarHBondContact OH-OG1 3.48Å; Y730-T791 VanDerWaalsContact OH-OG1 3.09Å
731E76.2Confident72.2Confident76 Ų7683.8 Ų83.836%0.35538%0.381SS..Hα-helixtrans-63.2-38.6177.1-72.1177.9-17900112.8R727 E733 E734 A784R727-E731 HydrophobicContact CG-CG 4.48Å; R727-E731 IonicContact CZ-OE1 3.91Å; R727-E731 IonicContact NE-OE1 3.17Å; R727-E731 PolarHBondContact NE-OE1 3.47Å; R727-E731 IonicContact NH2-OE1 3.04Å; R727-E731 PolarHBondContact O-N 3.4Å; E731-E733 VanDerWaalsContact C-N 3.31Å; E731-E733 PolarHBondContact O-N 3.34Å; E731-E734 VanDerWaalsContact O-CB 3.26Å; E731-E734 WeakPolarHBondContact O-CB 3.39Å; E731-E734 PolarHBondContact O-N 2.95Å; E731-A784 HydrophobicContact CG-CB 3.85Å
732R70.2Confident70Confident174 Ų17485.5 Ų85.566%0.65741%0.409SS*.Hα-helixtrans-66.5-34.1176.9-80178.9-176.9-174.32.4112.3S728 L729 Y730 K735 K736S728-R732 WeakPolarHBondContact O-CB 3.32Å; S728-R732 WeakPolarHBondContact O-CG 3.36Å; S728-R732 PolarHBondContact O-N 3.03Å; L729-R732 PolarHBondContact O-N 3.42Å; Y730-R732 PolarHBondContact O-N 3.41Å; R732-K735 PolarHBondContact O-N 2.57Å; R732-K736 PolarHBondContact O-N 2.69Å
733E65Low68.5Low35 Ų3587.9 Ų87.916%0.16442%0.42CS..Hα-helixtrans-86.9-18.3-179-68.5-163.7148.400113.9L729 Y730 E731 K735 K736 A737 R738 L739 P740 R787L729-E733 PolarHBondContact O-N 3.04Å; Y730-E733 PolarHBondContact O-N 3.38Å; E731-E733 VanDerWaalsContact C-N 3.31Å; E731-E733 PolarHBondContact O-N 3.34Å; E733-K735 PolarHBondContact O-N 2.66Å; E733-K736 PolarHBondContact O-N 2.94Å; E733-A737 PolarHBondContact O-N 2.92Å; E733-R738 VanDerWaalsContact CD-O 3.23Å; E733-L739 WeakPolarHBondContact OE2-CA 3.4Å; E733-L739 WeakPolarHBondContact OE2-CD2 3.28Å; E733-L739 WeakPolarHBondContact OE2-CG 3.45Å; E733-P740 WeakPolarHBondContact OE1-CD 3.5Å; E733-P740 WeakPolarHBondContact OE1-CG 3.12Å; E733-P740 VanDerWaalsContact OE2-CD 3.32Å; E733-P740 WeakPolarHBondContact OE2-CD 3.26Å; E733-R787 PolarHBondContact O-NH1 3.07Å; E733-R787 VanDerWaalsContact O-NH1 3.07Å
734E58.4Low67.4Low71 Ų7189.1 Ų89.133%0.33243%0.429SS..Hα-helixtrans-51.8-47.6158.6-153.8-172.1145.700110.3Y730 E731 K736 L783Y730-E734 PolarHBondContact O-N 3.43Å; E731-E734 VanDerWaalsContact O-CB 3.26Å; E731-E734 WeakPolarHBondContact O-CB 3.39Å; E731-E734 PolarHBondContact O-N 2.95Å; E734-K736 PolarHBondContact O-N 2.96Å; E734-L783 HydrophobicContact CG-CD2 3.75Å; E734-L783 HydrophobicContact CG-CG 4.37Å; E734-L783 WeakPolarHBondContact OE1-CB 3.49Å; E734-L783 VanDerWaalsContact OE1-CD2 3.3Å; E734-L783 WeakPolarHBondContact OE1-CD2 3.27Å
735K58.5Low66.5Low194 Ų19486 Ų8684%0.84342%0.415SS*.Hα-helixtrans-70.2-25178.2-67.3-177.4179.5176.70114.5R732 E733R732-K735 PolarHBondContact O-N 2.57Å; E733-K735 PolarHBondContact O-N 2.66Å
736K59.3Low66Low165 Ų16585.9 Ų85.972%0.71742%0.418SS*.Hα-helixtrans-104.2-5.7-175.1-71.1-174.8177.8-179.30114.8R732 E733 E734 R738R732-K736 PolarHBondContact O-N 2.69Å; E733-K736 PolarHBondContact O-N 2.94Å; E734-K736 PolarHBondContact O-N 2.96Å; K736-R738 PolarHBondContact O-N 3.32Å
737A54.4Low65.8Low78 Ų7886 Ų8665%0.64542%0.419SS*.THydrogen-bonded Turntrans51.524.6-178.900000115.5E733E733-A737 PolarHBondContact O-N 2.92Å
738R54.6Low65.8Low208 Ų20884.3 Ų84.379%0.78542%0.415SS*.  trans-143.8113.8176.1-73.1-173.7176.1178.7-0.3109.1E733 K736E733-R738 VanDerWaalsContact CD-O 3.23Å; K736-R738 PolarHBondContact O-N 3.32Å
739L54.1Low66.1Low59 Ų5982.3 Ų82.331%0.30940%0.401SS..PPolyproline II helixtrans-75150.7160.2-88.9139000110.4Y730 E733 R741 F743 T791Y730-L739 HydrophobicContact CD1-CD2 4.37Å; Y730-L739 HydrophobicContact CE1-CD2 3.99Å; E733-L739 WeakPolarHBondContact OE2-CA 3.4Å; E733-L739 WeakPolarHBondContact OE2-CD2 3.28Å; E733-L739 WeakPolarHBondContact OE2-CG 3.45Å; L739-R741 PolarHBondContact O-N 3.45Å; L739-F743 HydrophobicContact CD2-CB 4.48Å; L739-F743 HydrophobicContact CD2-CD1 4.48Å; L739-T791 HydrophobicContact CD1-CG2 4.26Å
740P53.6Low66.5Low69 Ų6979.2 Ų79.245%0.44839%0.385SS..PPolyproline II helixtrans-63.4128.3171.1-7.226.5000106E733 G742 F743E733-P740 WeakPolarHBondContact OE1-CD 3.5Å; E733-P740 WeakPolarHBondContact OE1-CG 3.12Å; E733-P740 VanDerWaalsContact OE2-CD 3.32Å; E733-P740 WeakPolarHBondContact OE2-CD 3.26Å; P740-G742 PolarHBondContact O-N 3.42Å; P740-F743 HydrophobicContact CG-CB 4.43Å; P740-F743 PolarHBondContact O-N 3.37Å
741R47.8Very low67.2Low261 Ų26179.1 Ų79.199%0.98539%0.385SS*.THydrogen-bonded Turntrans-54.4118.5177.3-75.2-175.9-179.1-178-0.4108.9L739L739-R741 PolarHBondContact O-N 3.45Å
742G49.1Very low68Low83 Ų8377 Ų7786%0.85637%0.373SS*.THydrogen-bonded Turntrans100.25.7176.500000116.5P740 S744P740-G742 PolarHBondContact O-N 3.42Å; G742-S744 PolarHBondContact O-N 2.91Å
743F62.3Low69.1Low50 Ų5068.8 Ų68.822%0.21934%0.342CS..  trans-77.3105173.4-161.3-94.1000110.9S687 Y730 L739 P740S687-F743 WeakPolarHBondContact O-CE2 3.41Å; Y730-F743 HydrophobicContact CE2-CE1 4.11Å; L739-F743 HydrophobicContact CD2-CB 4.48Å; L739-F743 HydrophobicContact CD2-CD1 4.48Å; P740-F743 HydrophobicContact CG-CB 4.43Å; P740-F743 PolarHBondContact O-N 3.37Å
744S66.3Low70.4Confident28 Ų2867.1 Ų67.120%0.19633%0.334CS..  trans-120.7128.8171.7154.70000108.2G742 E793G742-S744 PolarHBondContact O-N 2.91Å; S744-E793 WeakPolarHBondContact CB-OE2 3.26Å; S744-E793 PolarHBondContact OG-OE2 3.02Å
745L74.3Confident72Confident0 Ų063.8 Ų63.80%032%0.319CS..EExtended strand (participates in β ladder)trans-103.9123176.9-16779.3000108.4L692 I726 V749 L750 T791 I792 E793L692-L745 HydrophobicContact CD1-CD1 4.22Å; I726-L745 HydrophobicContact CD1-CD1 4.32Å; I726-L745 HydrophobicContact CD1-CD2 4.3Å; I726-L745 HydrophobicContact CG2-CD2 3.81Å; L745-V749 HydrophobicContact CD1-CG1 4.46Å; L745-L750 HydrophobicContact CD2-CD1 3.86Å; L745-L750 HydrophobicContact CD2-CD2 4.1Å; L745-L750 HydrophobicContact CD2-CG 3.75Å; L745-T791 PolarHBondContact N-O 2.91Å; L745-I792 VanDerWaalsContact O-CA 3.29Å; L745-I792 WeakPolarHBondContact O-CA 3.13Å; L745-E793 PolarHBondContact O-N 3.28Å; L745-E793 VanDerWaalsContact O-N 3.14Å
746Q77.8Confident73.6Confident84 Ų8454.8 Ų54.839%0.39328%0.28SS..EExtended strand (participates in β ladder)trans-72.1139.3-178.9-65.7-176.5-22.100111.4H693 T748 V749 E793H693-Q746 PolarHBondContact CD2-OE1 3.26Å; H693-Q746 VanDerWaalsContact CD2-OE1 3.27Å; Q746-T748 VanDerWaalsContact CB-OG1 3.23Å; Q746-T748 WeakPolarHBondContact CB-OG1 3.28Å; Q746-T748 PolarHBondContact O-N 3.37Å; Q746-T748 PolarHBondContact OE1-OG1 3.29Å; Q746-V749 HydrophobicContact CB-CG2 4.17Å; Q746-V749 WeakPolarHBondContact O-CB 3.38Å; Q746-V749 PolarHBondContact O-N 2.93Å; Q746-E793 WeakPolarHBondContact CA-O 3.2Å
747A80.2Confident75.3Confident4 Ų447 Ų473%0.03325%0.246CC..Hα-helixtrans-56.3-34.117600000112.2V749 L750 G751 I792 E793 L796A747-V749 VanDerWaalsContact C-N 3.28Å; A747-V749 PolarHBondContact O-N 3.24Å; A747-L750 PolarHBondContact O-N 3.19Å; A747-G751 PolarHBondContact O-N 3.23Å; A747-I792 HydrophobicContact CB-CG2 3.6Å; A747-E793 PolarHBondContact N-O 2.95Å; A747-L796 HydrophobicContact CB-CD1 3.9Å; A747-L796 WeakPolarHBondContact O-CD1 3.37Å
748T84.8Confident77Confident23 Ų2343.3 Ų43.314%0.14122%0.216CC..Hα-helixtrans-54.8-40.3174.254.70000112.4H693 Q746 R752 P797H693-T748 PolarHBondContact CD2-OG1 3.07Å; Q746-T748 VanDerWaalsContact CB-OG1 3.23Å; Q746-T748 WeakPolarHBondContact CB-OG1 3.28Å; Q746-T748 PolarHBondContact O-N 3.37Å; Q746-T748 PolarHBondContact OE1-OG1 3.29Å; T748-R752 WeakPolarHBondContact O-CB 3.41Å; T748-R752 VanDerWaalsContact O-CG 3.32Å; T748-R752 WeakPolarHBondContact O-CG 3.21Å; T748-R752 PolarHBondContact O-N 2.83Å; T748-P797 HydrophobicContact CG2-CG 3.93Å
749V88.8Confident78.6Confident0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-65.9-51.9-179.4176.20000110.4L692 H693 L745 Q746 A747 G751 R752 I753L692-V749 HydrophobicContact CB-CG1 3.82Å; L692-V749 HydrophobicContact CB-CG2 4.48Å; H693-V749 HydrophobicContact CB-CG2 3.97Å; L745-V749 HydrophobicContact CD1-CG1 4.46Å; Q746-V749 HydrophobicContact CB-CG2 4.17Å; Q746-V749 WeakPolarHBondContact O-CB 3.38Å; Q746-V749 PolarHBondContact O-N 2.93Å; A747-V749 VanDerWaalsContact C-N 3.28Å; A747-V749 PolarHBondContact O-N 3.24Å; V749-G751 VanDerWaalsContact C-N 3.31Å; V749-G751 PolarHBondContact O-N 3.45Å; V749-R752 PolarHBondContact O-N 2.75Å; V749-I753 HydrophobicContact CG1-CD1 3.87Å; V749-I753 HydrophobicContact CG1-CG1 4.48Å; V749-I753 VanDerWaalsContact O-CG1 3.31Å; V749-I753 WeakPolarHBondContact O-CG1 3.29Å; V749-I753 PolarHBondContact O-N 3.46Å
750L87.7Confident80.2Confident0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-62.9-39179.1-77170000112.1L745 A747 I753 A754 T769 I772 F773 I792L745-L750 HydrophobicContact CD2-CD1 3.86Å; L745-L750 HydrophobicContact CD2-CD2 4.1Å; L745-L750 HydrophobicContact CD2-CG 3.75Å; A747-L750 PolarHBondContact O-N 3.19Å; L750-I753 PolarHBondContact O-N 2.71Å; L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.31Å; L750-T769 HydrophobicContact CD2-CG2 3.96Å; L750-I772 HydrophobicContact CD1-CG2 4.45Å; L750-F773 HydrophobicContact CB-CD1 4.35Å; L750-I792 HydrophobicContact CD1-CD1 3.27Å; L750-I792 HydrophobicContact CD1-CG1 3.74Å
751G88.5Confident81.9Confident0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-57.6-48.1173.800000112.9A747 V749 A754 L755A747-G751 PolarHBondContact O-N 3.23Å; V749-G751 VanDerWaalsContact C-N 3.31Å; V749-G751 PolarHBondContact O-N 3.45Å; G751-A754 PolarHBondContact O-N 2.99Å; G751-L755 WeakPolarHBondContact O-CB 3.35Å; G751-L755 PolarHBondContact O-N 3.16Å
752R92.3Very high83.9Confident32 Ų3222.8 Ų22.812%0.12115%0.146CC..Hα-helixtrans-69.6-36179.1-71174167.8159.30.8112.4H693 F696 T748 V749 L755 T756 V800H693-R752 PolarHBondContact CE1-NH1 3.1Å; H693-R752 PolarHBondContact NE2-NH1 3.34Å; F696-R752 HydrophobicContact CB-CB 3.79Å; T748-R752 WeakPolarHBondContact O-CB 3.41Å; T748-R752 VanDerWaalsContact O-CG 3.32Å; T748-R752 WeakPolarHBondContact O-CG 3.21Å; T748-R752 PolarHBondContact O-N 2.83Å; V749-R752 PolarHBondContact O-N 2.75Å; R752-L755 PolarHBondContact O-N 3.02Å; R752-T756 WeakPolarHBondContact O-CB 3.44Å; R752-T756 PolarHBondContact O-N 3.4Å; R752-T756 PolarHBondContact O-OG1 3.09Å; R752-V800 HydrophobicContact CG-CG1 4.41Å; R752-V800 HydrophobicContact CG-CG2 4.05Å
753I93.3Very high85.8Confident0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-59.7-49.3170.9-70.3170.8000110.5F696 A719 A722 I726 V749 L750 L755 T756 L757 T769F696-I753 HydrophobicContact CD1-CG1 3.89Å; F696-I753 HydrophobicContact CD2-CD1 4.11Å; F696-I753 HydrophobicContact CD2-CG1 3.63Å; F696-I753 HydrophobicContact CE1-CG1 3.88Å; F696-I753 HydrophobicContact CE2-CD1 3.91Å; F696-I753 HydrophobicContact CE2-CG1 3.61Å; F696-I753 HydrophobicContact CG-CG1 3.8Å; F696-I753 HydrophobicContact CZ-CD1 4.35Å; F696-I753 HydrophobicContact CZ-CG1 3.76Å; A719-I753 HydrophobicContact CB-CG2 4.22Å; A722-I753 HydrophobicContact CB-CD1 4.36Å; I726-I753 HydrophobicContact CD1-CD1 3.88Å; V749-I753 HydrophobicContact CG1-CD1 3.87Å; V749-I753 HydrophobicContact CG1-CG1 4.48Å; V749-I753 VanDerWaalsContact O-CG1 3.31Å; V749-I753 WeakPolarHBondContact O-CG1 3.29Å; V749-I753 PolarHBondContact O-N 3.46Å; L750-I753 PolarHBondContact O-N 2.71Å; I753-L755 VanDerWaalsContact C-N 3.28Å; I753-L755 PolarHBondContact O-N 2.99Å; I753-T756 PolarHBondContact O-N 2.63Å; I753-L757 HydrophobicContact CG2-CD1 3.98Å; I753-L757 WeakPolarHBondContact O-CG 3.32Å; I753-L757 PolarHBondContact O-N 3.06Å; I753-T769 HydrophobicContact CB-CG2 4.46Å; I753-T769 HydrophobicContact CG2-CG2 4.09Å
754A92Very high87.1Confident0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-59.5-40.9177.600000111.5L750 G751 L757 A758 A766 T769 A770 F773 L804L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.31Å; G751-A754 PolarHBondContact O-N 2.99Å; A754-L757 PolarHBondContact O-N 2.81Å; A754-A758 WeakPolarHBondContact O-CB 3.41Å; A754-A758 PolarHBondContact O-N 3.47Å; A754-A766 WeakPolarHBondContact O-CB 3.27Å; A754-T769 HydrophobicContact CB-CG2 3.97Å; A754-A770 HydrophobicContact CB-CB 4.24Å; A754-F773 HydrophobicContact CB-CE1 4.48Å; A754-L804 HydrophobicContact CB-CD1 4.04Å; A754-L804 HydrophobicContact CB-CD2 4.21Å; A754-L804 WeakPolarHBondContact O-CD1 3.41Å
755L91.8Very high88.1Confident2 Ų228.6 Ų28.61%0.0115%0.145CC..Hα-helixtrans-65.1-47176.6178.857000111.7G751 R752 I753 L757 A758 R759 V800 K803 L804G751-L755 WeakPolarHBondContact O-CB 3.35Å; G751-L755 PolarHBondContact O-N 3.16Å; R752-L755 PolarHBondContact O-N 3.02Å; I753-L755 VanDerWaalsContact C-N 3.28Å; I753-L755 PolarHBondContact O-N 2.99Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L755-L757 PolarHBondContact O-N 3.34Å; L755-A758 PolarHBondContact O-N 3.13Å; L755-R759 HydrophobicContact CD1-CG 3.98Å; L755-R759 HydrophobicContact CG-CG 4.44Å; L755-R759 WeakPolarHBondContact O-CB 3.36Å; L755-R759 WeakPolarHBondContact O-CG 3.42Å; L755-R759 PolarHBondContact O-N 3.05Å; L755-V800 HydrophobicContact CB-CG1 4.3Å; L755-V800 HydrophobicContact CD2-CG1 4.14Å; L755-K803 HydrophobicContact CD1-CB 3.71Å; L755-K803 HydrophobicContact CD2-CB 3.89Å; L755-K803 HydrophobicContact CD2-CD 4.08Å; L755-K803 HydrophobicContact CG-CB 4.49Å; L755-L804 HydrophobicContact CB-CD1 4.35Å; L755-L804 HydrophobicContact CD1-CB 4.37Å
756T93.1Very high88.9Confident5 Ų528.6 Ų28.63%0.03115%0.145CC..Hα-helixtrans-60.3-40.6176.6-57.70000111.6S700 L715 A719 R752 I753 G760S700-T756 WeakPolarHBondContact CA-OG1 3.29Å; L715-T756 HydrophobicContact CB-CG2 3.85Å; A719-T756 HydrophobicContact CB-CG2 3.9Å; R752-T756 WeakPolarHBondContact O-CB 3.44Å; R752-T756 PolarHBondContact O-N 3.4Å; R752-T756 PolarHBondContact O-OG1 3.09Å; I753-T756 PolarHBondContact O-N 2.63Å; T756-G760 PolarHBondContact O-N 2.88Å
757L94.1Very high89.4Confident0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-60.1-47.8173.5-75.4165.3000112.1A716 A719 N720 I753 A754 L755 G760 G761 N762 R765 A766A716-L757 WeakPolarHBondContact O-CD2 3.44Å; A719-L757 HydrophobicContact CB-CD2 4Å; A719-L757 HydrophobicContact CB-CG 3.78Å; N720-L757 HydrophobicContact CB-CD2 3.89Å; I753-L757 HydrophobicContact CG2-CD1 3.98Å; I753-L757 WeakPolarHBondContact O-CG 3.32Å; I753-L757 PolarHBondContact O-N 3.06Å; A754-L757 PolarHBondContact O-N 2.81Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L755-L757 PolarHBondContact O-N 3.34Å; L757-G760 PolarHBondContact O-N 3.18Å; L757-G761 PolarHBondContact O-N 2.87Å; L757-N762 HydrophobicContact CD2-CB 4.14Å; L757-N762 PolarHBondContact O-N 2.91Å; L757-R765 HydrophobicContact CD1-CB 4.23Å; L757-R765 HydrophobicContact CD2-CB 4.31Å; L757-A766 HydrophobicContact CB-CB 3.78Å
758A90.7Very high89.6Confident1 Ų126.2 Ų26.21%0.00813%0.133CC..Hα-helixtrans-65-41-178.600000111.7A754 L755 G760 G761 Y763 A766 L804 C807 L808A754-A758 WeakPolarHBondContact O-CB 3.41Å; A754-A758 PolarHBondContact O-N 3.47Å; L755-A758 PolarHBondContact O-N 3.13Å; A758-G760 VanDerWaalsContact C-N 3.29Å; A758-G760 PolarHBondContact O-N 2.88Å; A758-G761 PolarHBondContact O-N 2.93Å; A758-G761 VanDerWaalsContact O-N 3.07Å; A758-Y763 WeakPolarHBondContact O-CE1 3.23Å; A758-A766 HydrophobicContact CB-CB 3.82Å; A758-L804 HydrophobicContact CB-CD1 4Å; A758-C807 HydrophobicContact CB-CB 3.62Å; A758-L808 HydrophobicContact CB-CD2 4.02Å; A758-L808 HydrophobicContact CB-CG 4.37Å
759R88.2Confident89.7Confident57 Ų5725.1 Ų25.122%0.21513%0.127CC..Hα-helixtrans-65-29.9177.8-70.9-171.872.4177.3-0113.2S700 V702 L755 G761S700-R759 PolarHBondContact O-NH1 3.32Å; V702-R759 PolarHBondContact O-NH1 3.46Å; V702-R759 PolarHBondContact O-NH2 3.38Å; L755-R759 HydrophobicContact CD1-CG 3.98Å; L755-R759 HydrophobicContact CG-CG 4.44Å; L755-R759 WeakPolarHBondContact O-CB 3.36Å; L755-R759 WeakPolarHBondContact O-CG 3.42Å; L755-R759 PolarHBondContact O-N 3.05Å; R759-G761 VanDerWaalsContact C-N 3.32Å
760G88.3Confident89.5Confident14 Ų1425.1 Ų25.114%0.14413%0.127CC..THydrogen-bonded Turntrans-89.312.9172.700000114.7L712 T756 L757 A758 N762L712-G760 WeakPolarHBondContact O-CA 3.48Å; T756-G760 PolarHBondContact O-N 2.88Å; L757-G760 PolarHBondContact O-N 3.18Å; A758-G760 VanDerWaalsContact C-N 3.29Å; A758-G760 PolarHBondContact O-N 2.88Å; G760-N762 PolarHBondContact O-N 3.38Å
761G87.7Confident89Confident39 Ų3930.3 Ų30.340%0.40215%0.146SC..THydrogen-bonded Turntrans815.6175.600000115.7L757 A758 R759 Y763L757-G761 PolarHBondContact O-N 2.87Å; A758-G761 PolarHBondContact O-N 2.93Å; A758-G761 VanDerWaalsContact O-N 3.07Å; R759-G761 VanDerWaalsContact C-N 3.32Å; G761-Y763 VanDerWaalsContact C-N 3.29Å; G761-Y763 WeakPolarHBondContact O-CD2 3.27Å; G761-Y763 PolarHBondContact O-N 2.9Å; G761-Y763 VanDerWaalsContact O-N 3.11Å
762N90Very high88.5Confident57 Ų5730.5 Ų30.531%0.30515%0.147SC..  trans-89.664.1179.6-163.2-9.7000111.6A716 L757 G760 D764 R765 A766A716-N762 HydrophobicContact CB-CB 4.38Å; L757-N762 HydrophobicContact CD2-CB 4.14Å; L757-N762 PolarHBondContact O-N 2.91Å; G760-N762 PolarHBondContact O-N 3.38Å; N762-D764 PolarHBondContact O-N 3.4Å; N762-R765 PolarHBondContact O-N 2.95Å; N762-A766 WeakPolarHBondContact O-CB 3.42Å; N762-A766 PolarHBondContact O-N 3.38Å
763Y89.8Confident87.6Confident97 Ų9730 Ų3038%0.3815%0.146SC..Hα-helixtrans-65.6-35.7-168.6-56.9-58.6000114.8A758 G761 A766 W767 C807 L808 T811A758-Y763 WeakPolarHBondContact O-CE1 3.23Å; G761-Y763 VanDerWaalsContact C-N 3.29Å; G761-Y763 WeakPolarHBondContact O-CD2 3.27Å; G761-Y763 PolarHBondContact O-N 2.9Å; G761-Y763 VanDerWaalsContact O-N 3.11Å; Y763-A766 PolarHBondContact O-N 3.32Å; Y763-W767 WeakPolarHBondContact O-CB 3.44Å; Y763-W767 PolarHBondContact O-N 3.39Å; Y763-C807 WeakPolarHBondContact CE1-O 3.48Å; Y763-L808 HydrophobicContact CD1-CD2 4.03Å; Y763-T811 HydrophobicContact CD1-CG2 3.86Å; Y763-T811 HydrophobicContact CD2-CG2 4.11Å; Y763-T811 HydrophobicContact CG-CG2 3.56Å
764D88.4Confident86.5Confident106 Ų10631 Ų3157%0.56715%0.151SC*.Hα-helixtrans-65.6-43.2-179.1-78.5-39.9000111.7N762 W767 E768 K813N762-D764 PolarHBondContact O-N 3.4Å; D764-W767 PolarHBondContact O-N 3.36Å; D764-E768 PolarHBondContact O-N 3.29Å; D764-K813 IonicContact OD1-NZ 3.46Å; D764-K813 PolarHBondContact OD1-NZ 3.4Å
765R89.1Confident84.9Confident79 Ų7932 Ų3230%0.29816%0.158SC..Hα-helixtrans-72.7-35.4177-12559.1171.9167-4.8112.6N720 E724 L757 N762 W767 E768 T769N720-R765 VanDerWaalsContact OD1-CG 3.27Å; N720-R765 WeakPolarHBondContact OD1-CG 3.37Å; E724-R765 IonicContact OE1-CZ 3.72Å; E724-R765 IonicContact OE1-NE 3.83Å; E724-R765 IonicContact OE1-NH2 2.9Å; E724-R765 PolarHBondContact OE1-NH2 2.97Å; L757-R765 HydrophobicContact CD1-CB 4.23Å; L757-R765 HydrophobicContact CD2-CB 4.31Å; N762-R765 PolarHBondContact O-N 2.95Å; R765-W767 VanDerWaalsContact C-N 3.3Å; R765-W767 PolarHBondContact O-N 3.44Å; R765-E768 WeakPolarHBondContact CD-OE2 3.35Å; R765-E768 IonicContact CZ-OE2 2.78Å; R765-E768 VanDerWaalsContact CZ-OE2 3.26Å; R765-E768 IonicContact NE-OE2 2.8Å; R765-E768 IonicContact NH1-OE1 3.75Å; R765-E768 IonicContact NH1-OE2 3.87Å; R765-E768 PolarHBondContact NH1-OE2 3.23Å; R765-E768 PolarHBondContact O-N 3.23Å; R765-T769 WeakPolarHBondContact O-CB 3.03Å; R765-T769 PolarHBondContact O-N 3.11Å; R765-T769 PolarHBondContact O-OG1 2.67Å
766A90.8Very high83.2Confident0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-57.6-45.1169.600000111.1A754 L757 A758 N762 Y763 T769 A770 L808A754-A766 WeakPolarHBondContact O-CB 3.27Å; L757-A766 HydrophobicContact CB-CB 3.78Å; A758-A766 HydrophobicContact CB-CB 3.82Å; N762-A766 WeakPolarHBondContact O-CB 3.42Å; N762-A766 PolarHBondContact O-N 3.38Å; Y763-A766 PolarHBondContact O-N 3.32Å; A766-T769 PolarHBondContact O-N 2.93Å; A766-A770 WeakPolarHBondContact O-CB 3.33Å; A766-A770 PolarHBondContact O-N 3.39Å; A766-L808 HydrophobicContact CB-CD2 4.01Å
767W86.9Confident80.7Confident2 Ų244 Ų441%0.00823%0.226CC..Hα-helixtrans-65.6-40.2176.2-91.7122.3000113.7Y763 D764 R765 A770 R771 I774 L808 T811 K813 E816 L820Y763-W767 WeakPolarHBondContact O-CB 3.44Å; Y763-W767 PolarHBondContact O-N 3.39Å; D764-W767 PolarHBondContact O-N 3.36Å; R765-W767 VanDerWaalsContact C-N 3.3Å; R765-W767 PolarHBondContact O-N 3.44Å; W767-A770 HydrophobicContact CE3-CB 4.46Å; W767-A770 PolarHBondContact O-N 2.81Å; W767-R771 WeakPolarHBondContact O-CB 3.45Å; W767-R771 WeakPolarHBondContact O-CG 3.07Å; W767-R771 PolarHBondContact O-N 3.02Å; W767-R771 PolarHBondContact O-NE 2.85Å; W767-I774 HydrophobicContact CZ3-CD1 3.98Å; W767-L808 HydrophobicContact CD2-CD1 3.85Å; W767-L808 HydrophobicContact CE3-CD1 4.09Å; W767-L808 HydrophobicContact CG-CD1 4.4Å; W767-L808 HydrophobicContact CG-CD2 4.4Å; W767-L808 HydrophobicContact CH2-CB 4.48Å; W767-L808 HydrophobicContact CH2-CD1 4.02Å; W767-L808 HydrophobicContact CZ2-CB 3.71Å; W767-L808 HydrophobicContact CZ2-CD1 3.8Å; W767-L808 HydrophobicContact CZ2-CG 4.3Å; W767-L808 HydrophobicContact CZ3-CD1 4.16Å; W767-T811 PolarHBondContact NE1-OG1 3.38Å; W767-T811 VanDerWaalsContact NE1-OG1 3.16Å; W767-K813 HydrophobicContact CG-CD 4.38Å; W767-E816 HydrophobicContact CD2-CB 4.44Å; W767-E816 HydrophobicContact CE3-CB 4.18Å; W767-E816 VanDerWaalsContact CH2-C 3.4Å; W767-E816 HydrophobicContact CH2-CB 3.63Å; W767-E816 WeakPolarHBondContact CH2-O 3.44Å; W767-E816 HydrophobicContact CZ2-CB 3.88Å; W767-E816 HydrophobicContact CZ3-CB 3.78Å; W767-L820 HydrophobicContact CH2-CB 4.18Å; W767-L820 HydrophobicContact CH2-CD2 4.1Å; W767-L820 HydrophobicContact CZ3-CD2 4.44Å
768E85.3Confident78.4Confident37 Ų3749.5 Ų49.517%0.17325%0.252CS..Hα-helixtrans-62.2-46.9175.7-161176.5174.900110.6R727 D764 R765 A770 R771R727-E768 IonicContact NH1-OE1 2.91Å; R727-E768 PolarHBondContact NH1-OE1 3.42Å; D764-E768 PolarHBondContact O-N 3.29Å; R765-E768 WeakPolarHBondContact CD-OE2 3.35Å; R765-E768 IonicContact CZ-OE2 2.78Å; R765-E768 VanDerWaalsContact CZ-OE2 3.26Å; R765-E768 IonicContact NE-OE2 2.8Å; R765-E768 IonicContact NH1-OE1 3.75Å; R765-E768 IonicContact NH1-OE2 3.87Å; R765-E768 PolarHBondContact NH1-OE2 3.23Å; R765-E768 PolarHBondContact O-N 3.23Å; E768-A770 PolarHBondContact O-N 3.1Å; E768-R771 PolarHBondContact O-N 3.04Å
769T86.7Confident76.2Confident0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-62.5-44175.8-50.80000111.6Y723 L750 I753 A754 R765 A766 I772Y723-T769 HydrophobicContact CD2-CG2 3.88Å; Y723-T769 WeakPolarHBondContact CD2-OG1 3.43Å; Y723-T769 HydrophobicContact CE2-CG2 4.16Å; L750-T769 HydrophobicContact CD2-CG2 3.96Å; I753-T769 HydrophobicContact CB-CG2 4.46Å; I753-T769 HydrophobicContact CG2-CG2 4.09Å; A754-T769 HydrophobicContact CB-CG2 3.97Å; R765-T769 WeakPolarHBondContact O-CB 3.03Å; R765-T769 PolarHBondContact O-N 3.11Å; R765-T769 PolarHBondContact O-OG1 2.67Å; A766-T769 PolarHBondContact O-N 2.93Å; T769-I772 PolarHBondContact O-N 2.95Å
770A83.9Confident74.4Confident0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-66.6-38.7-178.500000112.7A754 A766 W767 E768 I772 F773 I774 L804A754-A770 HydrophobicContact CB-CB 4.24Å; A766-A770 WeakPolarHBondContact O-CB 3.33Å; A766-A770 PolarHBondContact O-N 3.39Å; W767-A770 HydrophobicContact CE3-CB 4.46Å; W767-A770 PolarHBondContact O-N 2.81Å; E768-A770 PolarHBondContact O-N 3.1Å; A770-I772 PolarHBondContact O-N 3.27Å; A770-F773 VanDerWaalsContact CA-CE1 3.4Å; A770-F773 HydrophobicContact CB-CE1 4.02Å; A770-F773 HydrophobicContact CB-CZ 3.92Å; A770-F773 WeakPolarHBondContact O-CD1 3.49Å; A770-F773 WeakPolarHBondContact O-CG 3.4Å; A770-F773 PolarHBondContact O-N 3.38Å; A770-F773 VanDerWaalsContact O-N 3.15Å; A770-I774 HydrophobicContact CB-CD1 3.72Å; A770-I774 WeakPolarHBondContact O-CD1 3.38Å; A770-I774 WeakPolarHBondContact O-CG1 3.2Å; A770-I774 PolarHBondContact O-N 3.14Å; A770-L804 HydrophobicContact CB-CD2 4Å
771R79.1Confident72.7Confident109 Ų10965.3 Ų65.341%0.41133%0.333SS..Hα-helixtrans-58.3-33178.8-87.7-173.7-83.9-174.8-2.4113.1W767 E768 F773 I774 S775W767-R771 WeakPolarHBondContact O-CB 3.45Å; W767-R771 WeakPolarHBondContact O-CG 3.07Å; W767-R771 PolarHBondContact O-N 3.02Å; W767-R771 PolarHBondContact O-NE 2.85Å; E768-R771 PolarHBondContact O-N 3.04Å; R771-F773 PolarHBondContact O-N 3.44Å; R771-I774 PolarHBondContact O-N 3.49Å; R771-S775 VanDerWaalsContact O-CB 3.28Å; R771-S775 WeakPolarHBondContact O-CB 3.38Å; R771-S775 PolarHBondContact O-N 2.96Å; R771-S775 PolarHBondContact O-OG 2.94Å
772I76.4Confident71.5Confident4 Ų465.2 Ų65.22%0.02133%0.326CS..Hα-helixtrans-57.5-39.1179.6-60.6176000110.8Y723 L750 T769 A770 M788 R789 I792Y723-I772 HydrophobicContact CE2-CD1 3.75Å; L750-I772 HydrophobicContact CD1-CG2 4.45Å; T769-I772 PolarHBondContact O-N 2.95Å; A770-I772 PolarHBondContact O-N 3.27Å; I772-M788 HydrophobicContact CD1-SD 3.78Å; I772-M788 HydrophobicContact CG2-CB 4.39Å; I772-M788 HydrophobicContact CG2-CG 4.39Å; I772-M788 HydrophobicContact CG2-SD 4.16Å; I772-R789 HydrophobicContact CG2-CG 4.33Å; I772-R789 WeakPolarHBondContact O-CD 3.37Å; I772-R789 WeakPolarHBondContact O-CG 3.49Å; I772-I792 HydrophobicContact CG2-CD1 3.66Å
773F73.1Confident70.3Confident22 Ų2266.7 Ų66.710%0.09633%0.333CS..Hα-helixtrans-94.8-30.5177.868.4-107.3000114L750 A754 A770 R771 L796 L801 L804L750-F773 HydrophobicContact CB-CD1 4.35Å; A754-F773 HydrophobicContact CB-CE1 4.48Å; A770-F773 VanDerWaalsContact CA-CE1 3.4Å; A770-F773 HydrophobicContact CB-CE1 4.02Å; A770-F773 HydrophobicContact CB-CZ 3.92Å; A770-F773 WeakPolarHBondContact O-CD1 3.49Å; A770-F773 WeakPolarHBondContact O-CG 3.4Å; A770-F773 PolarHBondContact O-N 3.38Å; A770-F773 VanDerWaalsContact O-N 3.15Å; R771-F773 PolarHBondContact O-N 3.44Å; F773-L796 HydrophobicContact CB-CD1 4.01Å; F773-L796 HydrophobicContact CD1-CD1 3.9Å; F773-L796 HydrophobicContact CD2-CD1 3.41Å; F773-L796 VanDerWaalsContact CD2-CD1 3.41Å; F773-L796 HydrophobicContact CD2-CD2 4.28Å; F773-L796 HydrophobicContact CD2-CG 4.46Å; F773-L796 HydrophobicContact CE1-CD1 4.15Å; F773-L796 HydrophobicContact CE1-CD2 3.99Å; F773-L796 HydrophobicContact CE2-CD1 3.73Å; F773-L796 HydrophobicContact CE2-CD2 3.7Å; F773-L796 HydrophobicContact CE2-CG 4.35Å; F773-L796 HydrophobicContact CG-CD1 3.52Å; F773-L796 HydrophobicContact CZ-CD1 4.1Å; F773-L796 HydrophobicContact CZ-CD2 3.54Å; F773-L796 HydrophobicContact CZ-CG 4.49Å; F773-L801 HydrophobicContact CE2-CD2 3.83Å; F773-L801 HydrophobicContact CZ-CD2 4.42Å; F773-L804 HydrophobicContact CZ-CD2 3.94Å
774I70.2Confident69Low20 Ų2062.3 Ų62.310%0.10332%0.317CS..Hα-helixtrans-67.7-37.8178.1-64.2163.8000110.9W767 A770 R771 T776 Q819 L820 L823W767-I774 HydrophobicContact CZ3-CD1 3.98Å; A770-I774 HydrophobicContact CB-CD1 3.72Å; A770-I774 WeakPolarHBondContact O-CD1 3.38Å; A770-I774 WeakPolarHBondContact O-CG1 3.2Å; A770-I774 PolarHBondContact O-N 3.14Å; R771-I774 PolarHBondContact O-N 3.49Å; I774-T776 VanDerWaalsContact C-N 3.32Å; I774-T776 PolarHBondContact O-N 3.18Å; I774-T776 VanDerWaalsContact O-N 3.08Å; I774-Q819 HydrophobicContact CG2-CB 4.31Å; I774-L820 HydrophobicContact CD1-CB 4.47Å; I774-L820 HydrophobicContact CD1-CD1 3.62Å; I774-L820 HydrophobicContact CD1-CG 4.49Å; I774-L820 HydrophobicContact CG1-CD1 4.02Å; I774-L823 HydrophobicContact CG1-CD2 4.14Å
775S59.8Low67.9Low22 Ų2259.5 Ų59.515%0.15430%0.301CS..  trans-88.561.5-175.769.80000112.6R771 N777 R789R771-S775 VanDerWaalsContact O-CB 3.28Å; R771-S775 WeakPolarHBondContact O-CB 3.38Å; R771-S775 PolarHBondContact O-N 2.96Å; R771-S775 PolarHBondContact O-OG 2.94Å; S775-N777 PolarHBondContact O-N 3.48Å; S775-R789 WeakPolarHBondContact O-CD 3.42Å; S775-R789 PolarHBondContact O-NH1 3.46Å; S775-R789 PolarHBondContact OG-NH1 3.18Å
776T54.9Low66.8Low100 Ų10060 Ų6061%0.61331%0.307SS*.THydrogen-bonded Turntrans-73-2.1165.730.50000113.1I774I774-T776 VanDerWaalsContact C-N 3.32Å; I774-T776 PolarHBondContact O-N 3.18Å; I774-T776 VanDerWaalsContact O-N 3.08Å
777N41.2Very low65.6Low157 Ų15762.9 Ų62.984%0.8432%0.317SS*.THydrogen-bonded Turntrans-136.517.7-176.2-86.2-29.6000115.8S775S775-N777 PolarHBondContact O-N 3.48Å
778Q45.3Very low64.8Low117 Ų11763 Ų6355%0.54732%0.318SS..SBendtrans-126.9141.6174.4-66.2-175.3-4.800111.2S780 R789Q778-S780 PolarHBondContact O-N 3.07Å; Q778-S780 VanDerWaalsContact O-N 3.14Å; Q778-R789 PolarHBondContact O-NH1 3.15Å
779N44.5Very low64.1Low171 Ų17163.8 Ų63.891%0.91432%0.319SS*.  trans-56.5116.2174.3-74.6-17.6000108.4
780S50.2Low63.1Low29 Ų2970.6 Ų70.620%0.20335%0.351CS..  trans-78.6150.616868.60000108.5Q778 S782 R789Q778-S780 PolarHBondContact O-N 3.07Å; Q778-S780 VanDerWaalsContact O-N 3.14Å; S780-S782 PolarHBondContact OG-O 3.34Å; S780-R789 PolarHBondContact OG-NH2 3.16Å
781E53.7Low62.4Low203 Ų20372 Ų7295%0.94936%0.36SS*.SBendtrans-80.7-22.5179.3-65.9-174.3162.900112
782S61.8Low62Low38 Ų3868.4 Ų68.427%0.26635%0.349SS..  trans-112.1140.4-179.9820000113.9S780 A784 E785 Q786S780-S782 PolarHBondContact OG-O 3.34Å; S782-A784 VanDerWaalsContact C-N 3.26Å; S782-A784 PolarHBondContact O-N 3.27Å; S782-E785 PolarHBondContact O-N 2.97Å; S782-E785 WeakPolarHBondContact OG-CB 3.47Å; S782-E785 VanDerWaalsContact OG-CG 3.25Å; S782-E785 WeakPolarHBondContact OG-CG 3.43Å; S782-E785 PolarHBondContact OG-N 2.86Å; S782-E785 PolarHBondContact OG-OE2 3.44Å; S782-Q786 PolarHBondContact O-N 2.87Å
783L64.2Low61.5Low87 Ų8774.1 Ų74.146%0.45538%0.375SS..Hα-helixtrans-66.1-29.3176.7-165.774.7000111.8E734 Q786 R787E734-L783 HydrophobicContact CG-CD2 3.75Å; E734-L783 HydrophobicContact CG-CG 4.37Å; E734-L783 WeakPolarHBondContact OE1-CB 3.49Å; E734-L783 VanDerWaalsContact OE1-CD2 3.3Å; E734-L783 WeakPolarHBondContact OE1-CD2 3.27Å; L783-Q786 PolarHBondContact O-N 3.46Å; L783-R787 PolarHBondContact O-N 2.88Å
784A64Low61.2Low6 Ų676.3 Ų76.35%0.0540%0.404CS..Hα-helixtrans-62-46.7174.400000112.2E731 S782 Q786 R787 M788E731-A784 HydrophobicContact CG-CB 3.85Å; S782-A784 VanDerWaalsContact C-N 3.26Å; S782-A784 PolarHBondContact O-N 3.27Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 3.45Å; A784-R787 PolarHBondContact O-N 3.44Å; A784-M788 WeakPolarHBondContact O-CB 3.37Å; A784-M788 PolarHBondContact O-N 3.21Å
785E64.8Low61.2Low47 Ų4780 Ų8022%0.2243%0.427CS..Hα-helixtrans-65.2-34.8174.9-72.8167.6139.700112S782 M788 R789S782-E785 PolarHBondContact O-N 2.97Å; S782-E785 WeakPolarHBondContact OG-CB 3.47Å; S782-E785 VanDerWaalsContact OG-CG 3.25Å; S782-E785 WeakPolarHBondContact OG-CG 3.43Å; S782-E785 PolarHBondContact OG-N 2.86Å; S782-E785 PolarHBondContact OG-OE2 3.44Å; E785-M788 PolarHBondContact O-N 3.03Å; E785-R789 PolarHBondContact O-N 2.78Å
786Q66.1Low61.8Low89 Ų8979.9 Ų79.942%0.41642%0.424SS..Hα-helixtrans-65.2-46.6175.6-162.51763.600111.5S782 L783 A784 R789 E790S782-Q786 PolarHBondContact O-N 2.87Å; L783-Q786 PolarHBondContact O-N 3.46Å; A784-Q786 VanDerWaalsContact C-N 3.3Å; A784-Q786 PolarHBondContact O-N 3.45Å; Q786-R789 WeakPolarHBondContact O-CB 3.35Å; Q786-R789 PolarHBondContact O-N 3.13Å; Q786-E790 WeakPolarHBondContact O-CG 3.45Å; Q786-E790 PolarHBondContact O-N 3.14Å; Q786-E790 VanDerWaalsContact O-N 3.1Å
787R65.3Low62.9Low60 Ų6076.8 Ų76.823%0.22641%0.406CS..Hα-helixtrans-64.6-41.5173.9-80.6-162.4178.3177.57.8112.7E733 L783 A784 R789 E790 T791E733-R787 PolarHBondContact O-NH1 3.07Å; E733-R787 VanDerWaalsContact O-NH1 3.07Å; L783-R787 PolarHBondContact O-N 2.88Å; A784-R787 PolarHBondContact O-N 3.44Å; R787-R789 VanDerWaalsContact C-N 3.26Å; R787-R789 PolarHBondContact O-N 2.89Å; R787-E790 WeakPolarHBondContact O-CB 3.46Å; R787-E790 PolarHBondContact O-N 3.3Å; R787-T791 PolarHBondContact O-N 3.49Å; R787-T791 PolarHBondContact O-OG1 3.45Å
788M70.1Confident64.8Low4 Ų471.9 Ų71.92%0.0238%0.382CS..Hα-helixtrans-58.3-43.4177.7-155.7-178.9-73.600109.8I726 R727 Y730 I772 A784 E785 E790 T791 I792I726-M788 HydrophobicContact CG2-CE 4.02Å; I726-M788 HydrophobicContact CG2-SD 4.25Å; R727-M788 HydrophobicContact CB-CE 4.32Å; Y730-M788 HydrophobicContact CD1-CB 4.46Å; Y730-M788 HydrophobicContact CD2-CE 3.55Å; Y730-M788 HydrophobicContact CD2-CG 3.92Å; Y730-M788 HydrophobicContact CD2-SD 4.41Å; Y730-M788 HydrophobicContact CE1-CG 4.46Å; Y730-M788 HydrophobicContact CE2-CE 4.21Å; Y730-M788 HydrophobicContact CE2-CG 3.77Å; Y730-M788 HydrophobicContact CG-CB 4.44Å; Y730-M788 HydrophobicContact CG-CE 4.06Å; Y730-M788 HydrophobicContact CG-CG 4.33Å; I772-M788 HydrophobicContact CD1-SD 3.78Å; I772-M788 HydrophobicContact CG2-CB 4.39Å; I772-M788 HydrophobicContact CG2-CG 4.39Å; I772-M788 HydrophobicContact CG2-SD 4.16Å; A784-M788 WeakPolarHBondContact O-CB 3.37Å; A784-M788 PolarHBondContact O-N 3.21Å; E785-M788 PolarHBondContact O-N 3.03Å; M788-E790 PolarHBondContact O-N 3.38Å; M788-T791 PolarHBondContact O-N 3.37Å; M788-T791 PolarHBondContact O-OG1 3.01Å; M788-T791 VanDerWaalsContact O-OG1 3.13Å; M788-I792 HydrophobicContact CG-CD1 4.3Å; M788-I792 WeakPolarHBondContact O-CD1 3.44Å; M788-I792 WeakPolarHBondContact O-CG1 3.43Å; M788-I792 PolarHBondContact O-N 3.33Å; M788-I792 VanDerWaalsContact O-N 3.13Å
789R69.7Low66.6Low54 Ų5469.2 Ų69.220%0.20437%0.371CS..Hα-helixtrans-58.4-41.1171.6-83.5-175.9-62.3-165.74.9114.1I772 S775 Q778 S780 E785 Q786 R787 T791I772-R789 HydrophobicContact CG2-CG 4.33Å; I772-R789 WeakPolarHBondContact O-CD 3.37Å; I772-R789 WeakPolarHBondContact O-CG 3.49Å; S775-R789 WeakPolarHBondContact O-CD 3.42Å; S775-R789 PolarHBondContact O-NH1 3.46Å; S775-R789 PolarHBondContact OG-NH1 3.18Å; Q778-R789 PolarHBondContact O-NH1 3.15Å; S780-R789 PolarHBondContact OG-NH2 3.16Å; E785-R789 PolarHBondContact O-N 2.78Å; Q786-R789 WeakPolarHBondContact O-CB 3.35Å; Q786-R789 PolarHBondContact O-N 3.13Å; R787-R789 VanDerWaalsContact C-N 3.26Å; R787-R789 PolarHBondContact O-N 2.89Å; R789-T791 PolarHBondContact O-N 3.41Å
790E67.1Low68.4Low143 Ų14361.1 Ų61.167%0.66833%0.328SS*.Hα-helixtrans-65.9-21-179.5-72.3172.9179.600113.5Q786 R787 M788Q786-E790 WeakPolarHBondContact O-CG 3.45Å; Q786-E790 PolarHBondContact O-N 3.14Å; Q786-E790 VanDerWaalsContact O-N 3.1Å; R787-E790 WeakPolarHBondContact O-CB 3.46Å; R787-E790 PolarHBondContact O-N 3.3Å; M788-E790 PolarHBondContact O-N 3.38Å
791T69.1Low70Confident30 Ų3059.9 Ų59.918%0.18432%0.319CS..Hα-helixtrans-112-1.2-176.940.80000114.7Y730 L739 L745 R787 M788 R789Y730-T791 WeakPolarHBondContact CE1-OG1 3.21Å; Y730-T791 PolarHBondContact OH-OG1 3.48Å; Y730-T791 VanDerWaalsContact OH-OG1 3.09Å; L739-T791 HydrophobicContact CD1-CG2 4.26Å; L745-T791 PolarHBondContact N-O 2.91Å; R787-T791 PolarHBondContact O-N 3.49Å; R787-T791 PolarHBondContact O-OG1 3.45Å; M788-T791 PolarHBondContact O-N 3.37Å; M788-T791 PolarHBondContact O-OG1 3.01Å; M788-T791 VanDerWaalsContact O-OG1 3.13Å; R789-T791 PolarHBondContact O-N 3.41Å
792I69.5Low71.5Confident34 Ų3451.7 Ų51.717%0.17428%0.281CS..EExtended strand (participates in β ladder)trans-78121.8173.9-73157.8000109.1L745 A747 L750 I772 M788L745-I792 VanDerWaalsContact O-CA 3.29Å; L745-I792 WeakPolarHBondContact O-CA 3.13Å; A747-I792 HydrophobicContact CB-CG2 3.6Å; L750-I792 HydrophobicContact CD1-CD1 3.27Å; L750-I792 HydrophobicContact CD1-CG1 3.74Å; I772-I792 HydrophobicContact CG2-CD1 3.66Å; M788-I792 HydrophobicContact CG-CD1 4.3Å; M788-I792 WeakPolarHBondContact O-CD1 3.44Å; M788-I792 WeakPolarHBondContact O-CG1 3.43Å; M788-I792 PolarHBondContact O-N 3.33Å; M788-I792 VanDerWaalsContact O-N 3.13Å
793E65.6Low72.6Confident124 Ų12453.8 Ų53.858%0.57929%0.285SS*.EExtended strand (participates in β ladder)trans-111146.4179.6-68.3-178162.300111.8S744 L745 Q746 A747S744-E793 WeakPolarHBondContact CB-OE2 3.26Å; S744-E793 PolarHBondContact OG-OE2 3.02Å; L745-E793 PolarHBondContact O-N 3.28Å; L745-E793 VanDerWaalsContact O-N 3.14Å; Q746-E793 WeakPolarHBondContact CA-O 3.2Å; A747-E793 PolarHBondContact N-O 2.95Å
794G68Low73.6Confident67 Ų6749.6 Ų49.669%0.69126%0.264SS*.SBendtrans92.9-179.2176.700000115
795V70.2Confident74.7Confident99 Ų9949.4 Ų49.460%0.626%0.262SS*.  trans-111.8143.5177.5-169.70000108.2
796L73.1Confident75.6Confident18 Ų1848.4 Ų48.49%0.09426%0.259CS..  trans-66.5141.7173.2-99.595.7000110.6A747 F773 T798 V800 L801A747-L796 HydrophobicContact CB-CD1 3.9Å; A747-L796 WeakPolarHBondContact O-CD1 3.37Å; F773-L796 HydrophobicContact CB-CD1 4.01Å; F773-L796 HydrophobicContact CD1-CD1 3.9Å; F773-L796 HydrophobicContact CD2-CD1 3.41Å; F773-L796 VanDerWaalsContact CD2-CD1 3.41Å; F773-L796 HydrophobicContact CD2-CD2 4.28Å; F773-L796 HydrophobicContact CD2-CG 4.46Å; F773-L796 HydrophobicContact CE1-CD1 4.15Å; F773-L796 HydrophobicContact CE1-CD2 3.99Å; F773-L796 HydrophobicContact CE2-CD1 3.73Å; F773-L796 HydrophobicContact CE2-CD2 3.7Å; F773-L796 HydrophobicContact CE2-CG 4.35Å; F773-L796 HydrophobicContact CG-CD1 3.52Å; F773-L796 HydrophobicContact CZ-CD1 4.1Å; F773-L796 HydrophobicContact CZ-CD2 3.54Å; F773-L796 HydrophobicContact CZ-CG 4.49Å; L796-T798 PolarHBondContact O-N 3.05Å; L796-V800 HydrophobicContact CD2-CG1 4.14Å; L796-L801 HydrophobicContact CB-CD1 4.11Å; L796-L801 HydrophobicContact CB-CD2 4.32Å; L796-L801 HydrophobicContact CB-CG 4.02Å; L796-L801 HydrophobicContact CD2-CD2 3.87Å; L796-L801 HydrophobicContact CD2-CG 4.11Å
797P77.7Confident76.4Confident35 Ų3545.6 Ų45.623%0.22725%0.248CC..  trans-63136.5170.7-18.534.6000110T748 D799 V800 L801T748-P797 HydrophobicContact CG2-CG 3.93Å; P797-D799 VanDerWaalsContact C-N 3.27Å; P797-D799 WeakPolarHBondContact CB-OD1 3.12Å; P797-D799 PolarHBondContact O-N 2.99Å; P797-V800 HydrophobicContact CB-CB 4.46Å; P797-V800 HydrophobicContact CB-CG2 4.03Å; P797-V800 HydrophobicContact CG-CG2 4.11Å; P797-V800 PolarHBondContact O-N 2.96Å; P797-V800 VanDerWaalsContact O-N 3.17Å; P797-L801 PolarHBondContact O-N 3.36Å
798T80.3Confident77.3Confident54 Ų5442.7 Ų42.733%0.33124%0.238SC..Hα-helixtrans-60.6-36.3-178.417.50000112.5L796 V800 L801 E802 E827 T828L796-T798 PolarHBondContact O-N 3.05Å; T798-V800 VanDerWaalsContact C-N 3.31Å; T798-V800 PolarHBondContact O-N 3.3Å; T798-L801 PolarHBondContact O-N 2.89Å; T798-E802 WeakPolarHBondContact O-CG 3.19Å; T798-E802 PolarHBondContact O-N 2.96Å; T798-E827 HydrophobicContact CG2-CB 3.7Å; T798-T828 HydrophobicContact CG2-CG2 3.6Å
799D82.8Confident77.9Confident61 Ų6142.6 Ų42.633%0.32624%0.237SC..Hα-helixtrans-63.3-36.6177.376.4-59.7000112.4P797 K803P797-D799 VanDerWaalsContact C-N 3.27Å; P797-D799 WeakPolarHBondContact CB-OD1 3.12Å; P797-D799 PolarHBondContact O-N 2.99Å; D799-K803 WeakPolarHBondContact O-CB 3.42Å; D799-K803 WeakPolarHBondContact O-CD 3.48Å; D799-K803 VanDerWaalsContact O-CG 3.26Å; D799-K803 WeakPolarHBondContact O-CG 3.4Å; D799-K803 PolarHBondContact O-N 3.36Å; D799-K803 IonicContact OD2-NZ 3.79Å; D799-K803 PolarHBondContact OD2-NZ 3.37Å
800V83.1Confident78.2Confident2 Ų244.4 Ų44.41%0.01225%0.247CC..Hα-helixtrans-67.2-42.5175.9177.10000110.3R752 L755 L796 P797 T798 L804R752-V800 HydrophobicContact CG-CG1 4.41Å; R752-V800 HydrophobicContact CG-CG2 4.05Å; L755-V800 HydrophobicContact CB-CG1 4.3Å; L755-V800 HydrophobicContact CD2-CG1 4.14Å; L796-V800 HydrophobicContact CD2-CG1 4.14Å; P797-V800 HydrophobicContact CB-CB 4.46Å; P797-V800 HydrophobicContact CB-CG2 4.03Å; P797-V800 HydrophobicContact CG-CG2 4.11Å; P797-V800 PolarHBondContact O-N 2.96Å; P797-V800 VanDerWaalsContact O-N 3.17Å; T798-V800 VanDerWaalsContact C-N 3.31Å; T798-V800 PolarHBondContact O-N 3.3Å; V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 2.63Å
801L83.6Confident78.9Confident3 Ų339.3 Ų39.32%0.01623%0.225CC..Hα-helixtrans-63.5-43.5177.8-72.8168.4000112F773 L796 P797 T798 L804 L805 L820 L823 V824 E827F773-L801 HydrophobicContact CE2-CD2 3.83Å; F773-L801 HydrophobicContact CZ-CD2 4.42Å; L796-L801 HydrophobicContact CB-CD1 4.11Å; L796-L801 HydrophobicContact CB-CD2 4.32Å; L796-L801 HydrophobicContact CB-CG 4.02Å; L796-L801 HydrophobicContact CD2-CD2 3.87Å; L796-L801 HydrophobicContact CD2-CG 4.11Å; P797-L801 PolarHBondContact O-N 3.36Å; T798-L801 PolarHBondContact O-N 2.89Å; L801-L804 PolarHBondContact O-N 2.85Å; L801-L805 WeakPolarHBondContact O-CB 3.27Å; L801-L805 PolarHBondContact O-N 3.4Å; L801-L820 HydrophobicContact CD2-CD1 3.85Å; L801-L823 HydrophobicContact CD1-CD2 4.41Å; L801-L823 HydrophobicContact CD2-CD2 3.81Å; L801-V824 HydrophobicContact CB-CG2 3.75Å; L801-E827 HydrophobicContact CD1-CG 4.33Å
802E85.3Confident79.1Confident30 Ų3040 Ų4014%0.1424%0.238CC..Hα-helixtrans-62.3-51.5177.7-74.3168.9-162.500111.5T798 L804 L805 V806 V824 T828 R838 L839T798-E802 WeakPolarHBondContact O-CG 3.19Å; T798-E802 PolarHBondContact O-N 2.96Å; E802-L804 VanDerWaalsContact C-N 3.28Å; E802-L804 PolarHBondContact O-N 2.85Å; E802-L805 WeakPolarHBondContact O-CB 3.35Å; E802-L805 PolarHBondContact O-N 3.3Å; E802-V806 WeakPolarHBondContact O-CG2 3.48Å; E802-V806 PolarHBondContact O-N 3.44Å; E802-V824 HydrophobicContact CG-CG1 3.69Å; E802-T828 WeakPolarHBondContact OE1-CG2 3.11Å; E802-R838 IonicContact OE1-CZ 3.51Å; E802-R838 VanDerWaalsContact OE1-CZ 3.25Å; E802-R838 IonicContact OE1-NH1 2.98Å; E802-R838 PolarHBondContact OE1-NH1 3.16Å; E802-R838 IonicContact OE1-NH2 2.8Å; E802-R838 PolarHBondContact OE1-NH2 3.27Å; E802-R838 IonicContact OE2-CZ 3.54Å; E802-R838 IonicContact OE2-NH1 3.3Å; E802-R838 PolarHBondContact OE2-NH1 2.96Å; E802-R838 IonicContact OE2-NH2 3.07Å; E802-L839 HydrophobicContact CB-CD2 4.13Å; E802-L839 HydrophobicContact CG-CD2 4.29Å
803K85.3Confident79.5Confident82 Ų8240.8 Ų40.836%0.35724%0.24SC..Hα-helixtrans-60.5-39.8177.8-70.6168.3-177163.50111.6L755 D799 V806 C807L755-K803 HydrophobicContact CD1-CB 3.71Å; L755-K803 HydrophobicContact CD2-CB 3.89Å; L755-K803 HydrophobicContact CD2-CD 4.08Å; L755-K803 HydrophobicContact CG-CB 4.49Å; D799-K803 WeakPolarHBondContact O-CB 3.42Å; D799-K803 WeakPolarHBondContact O-CD 3.48Å; D799-K803 VanDerWaalsContact O-CG 3.26Å; D799-K803 WeakPolarHBondContact O-CG 3.4Å; D799-K803 PolarHBondContact O-N 3.36Å; D799-K803 IonicContact OD2-NZ 3.79Å; D799-K803 PolarHBondContact OD2-NZ 3.37Å; K803-V806 PolarHBondContact O-N 3.12Å; K803-C807 PolarHBondContact O-N 3.38Å; K803-C807 PolarHBondContact O-SG 3.34Å
804L85.6Confident80.1Confident0 Ų037.5 Ų37.50%022%0.224CC..Hα-helixtrans-64.9-42.8177.9-175.768.7000111.1A754 L755 A758 A770 F773 V800 L801 E802 C807 L808 L820A754-L804 HydrophobicContact CB-CD1 4.04Å; A754-L804 HydrophobicContact CB-CD2 4.21Å; A754-L804 WeakPolarHBondContact O-CD1 3.41Å; L755-L804 HydrophobicContact CB-CD1 4.35Å; L755-L804 HydrophobicContact CD1-CB 4.37Å; A758-L804 HydrophobicContact CB-CD1 4Å; A770-L804 HydrophobicContact CB-CD2 4Å; F773-L804 HydrophobicContact CZ-CD2 3.94Å; V800-L804 WeakPolarHBondContact O-CB 3.41Å; V800-L804 PolarHBondContact O-N 2.63Å; L801-L804 PolarHBondContact O-N 2.85Å; E802-L804 VanDerWaalsContact C-N 3.28Å; E802-L804 PolarHBondContact O-N 2.85Å; L804-C807 PolarHBondContact O-N 2.94Å; L804-L808 HydrophobicContact CD1-CD1 3.82Å; L804-L808 HydrophobicContact CD1-CG 4.25Å; L804-L808 HydrophobicContact CD2-CD1 4.38Å; L804-L808 HydrophobicContact CG-CD1 3.74Å; L804-L808 HydrophobicContact CG-CG 4.41Å; L804-L808 WeakPolarHBondContact O-CB 3.44Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.46Å; L804-L808 PolarHBondContact O-N 2.96Å; L804-L820 HydrophobicContact CD2-CD2 4.23Å; L804-L820 HydrophobicContact CG-CD2 4.15Å
805L86.4Confident80.3Confident2 Ų237.5 Ų37.51%0.0122%0.218CC..Hα-helixtrans-59.6-48.1175.5174.770.2000111.3L801 E802 C807 L808 I809 L820 F821 V824 L839L801-L805 WeakPolarHBondContact O-CB 3.27Å; L801-L805 PolarHBondContact O-N 3.4Å; E802-L805 WeakPolarHBondContact O-CB 3.35Å; E802-L805 PolarHBondContact O-N 3.3Å; L805-C807 VanDerWaalsContact C-N 3.28Å; L805-C807 PolarHBondContact O-N 3.16Å; L805-L808 PolarHBondContact O-N 2.85Å; L805-I809 WeakPolarHBondContact O-CB 3.34Å; L805-I809 PolarHBondContact O-N 3.26Å; L805-L820 HydrophobicContact CB-CD2 4.01Å; L805-L820 HydrophobicContact CB-CG 4.26Å; L805-L820 HydrophobicContact CD1-CB 4.2Å; L805-L820 HydrophobicContact CD1-CD2 4.24Å; L805-L820 HydrophobicContact CD1-CG 4.27Å; L805-F821 HydrophobicContact CD1-CB 4.17Å; L805-F821 HydrophobicContact CD2-CB 4.22Å; L805-F821 HydrophobicContact CD2-CD2 3.73Å; L805-F821 HydrophobicContact CD2-CG 4.46Å; L805-V824 HydrophobicContact CD2-CG2 4.39Å; L805-L839 HydrophobicContact CD2-CD1 3.76Å
806V83.8Confident80.7Confident26 Ų2635.4 Ų35.416%0.15820%0.202CC..Hα-helixtrans-57.9-42.6177.7173.80000111E802 K803 I809 L839E802-V806 WeakPolarHBondContact O-CG2 3.48Å; E802-V806 PolarHBondContact O-N 3.44Å; K803-V806 PolarHBondContact O-N 3.12Å; V806-I809 WeakPolarHBondContact O-CG2 3.42Å; V806-L839 HydrophobicContact CG2-CD2 3.97Å
807C82.5Confident81Confident29 Ų2934.6 Ų34.620%0.19620%0.197CC..Hα-helixtrans-67.5-37.4178.3-64.70000112.8A758 Y763 K803 L804 L805A758-C807 HydrophobicContact CB-CB 3.62Å; Y763-C807 WeakPolarHBondContact CE1-O 3.48Å; K803-C807 PolarHBondContact O-N 3.38Å; K803-C807 PolarHBondContact O-SG 3.34Å; L804-C807 PolarHBondContact O-N 2.94Å; L805-C807 VanDerWaalsContact C-N 3.28Å; L805-C807 PolarHBondContact O-N 3.16Å
808L84.4Confident81.2Confident0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-88.6-14-173.7-65.3176.5000113.7A758 Y763 A766 W767 L804 L805 F810 T811 C817 L820A758-L808 HydrophobicContact CB-CD2 4.02Å; A758-L808 HydrophobicContact CB-CG 4.37Å; Y763-L808 HydrophobicContact CD1-CD2 4.03Å; A766-L808 HydrophobicContact CB-CD2 4.01Å; W767-L808 HydrophobicContact CD2-CD1 3.85Å; W767-L808 HydrophobicContact CE3-CD1 4.09Å; W767-L808 HydrophobicContact CG-CD1 4.4Å; W767-L808 HydrophobicContact CG-CD2 4.4Å; W767-L808 HydrophobicContact CH2-CB 4.48Å; W767-L808 HydrophobicContact CH2-CD1 4.02Å; W767-L808 HydrophobicContact CZ2-CB 3.71Å; W767-L808 HydrophobicContact CZ2-CD1 3.8Å; W767-L808 HydrophobicContact CZ2-CG 4.3Å; W767-L808 HydrophobicContact CZ3-CD1 4.16Å; L804-L808 HydrophobicContact CD1-CD1 3.82Å; L804-L808 HydrophobicContact CD1-CG 4.25Å; L804-L808 HydrophobicContact CD2-CD1 4.38Å; L804-L808 HydrophobicContact CG-CD1 3.74Å; L804-L808 HydrophobicContact CG-CG 4.41Å; L804-L808 WeakPolarHBondContact O-CB 3.44Å; L804-L808 VanDerWaalsContact O-CG 3.29Å; L804-L808 WeakPolarHBondContact O-CG 3.46Å; L804-L808 PolarHBondContact O-N 2.96Å; L805-L808 PolarHBondContact O-N 2.85Å; L808-F810 PolarHBondContact O-N 3.08Å; L808-F810 VanDerWaalsContact O-N 3.16Å; L808-T811 HydrophobicContact CD2-CG2 4.19Å; L808-T811 WeakPolarHBondContact O-CB 3.43Å; L808-T811 VanDerWaalsContact O-CG2 3.25Å; L808-T811 WeakPolarHBondContact O-CG2 3.39Å; L808-T811 PolarHBondContact O-N 3.42Å; L808-T811 PolarHBondContact O-OG1 3.13Å; L808-C817 PolarHBondContact O-SG 3.43Å; L808-L820 HydrophobicContact CD1-CD2 4.13Å
809I82Confident81.2Confident2 Ų236.2 Ų36.21%0.0120%0.197CC..G310 helixtrans-61.2-28.9-175.8-148170.8000113L805 V806 T811 L851 L852 I855L805-I809 WeakPolarHBondContact O-CB 3.34Å; L805-I809 PolarHBondContact O-N 3.26Å; V806-I809 WeakPolarHBondContact O-CG2 3.42Å; I809-T811 VanDerWaalsContact C-N 3.26Å; I809-T811 PolarHBondContact O-N 2.97Å; I809-L851 HydrophobicContact CD1-CB 4.3Å; I809-L851 HydrophobicContact CG1-CB 4.25Å; I809-L852 HydrophobicContact CD1-CB 4.38Å; I809-L852 HydrophobicContact CD1-CD1 4.48Å; I809-L852 HydrophobicContact CD1-CD2 3.6Å; I809-L852 HydrophobicContact CD1-CG 3.48Å; I809-L852 VanDerWaalsContact CD1-CG 3.48Å; I809-I855 HydrophobicContact CD1-CD1 3.78Å; I809-I855 HydrophobicContact CG1-CD1 3.36Å
810F77.8Confident81.1Confident92 Ų9233.3 Ų33.340%0.40418%0.182SC..G310 helixtrans-78-6.6179.5-62.3-75.4000114L808 G812 V848 L851L808-F810 PolarHBondContact O-N 3.08Å; L808-F810 VanDerWaalsContact O-N 3.16Å; F810-G812 PolarHBondContact O-N 3.44Å; F810-V848 HydrophobicContact CE1-CG2 4.3Å; F810-V848 HydrophobicContact CE2-CG2 4.05Å; F810-V848 HydrophobicContact CZ-CG2 3.42Å; F810-V848 VanDerWaalsContact CZ-CG2 3.42Å; F810-L851 HydrophobicContact CD1-CD1 3.45Å; F810-L851 VanDerWaalsContact CD1-CD1 3.45Å; F810-L851 HydrophobicContact CE1-CD1 3.65Å; F810-L851 HydrophobicContact CG-CD1 4.39Å
811T80.9Confident81.1Confident36 Ų3633.3 Ų33.322%0.22118%0.182CC..G310 helixtrans-76.6-6.8-175.263.90000114Y763 W767 L808 I809 K813Y763-T811 HydrophobicContact CD1-CG2 3.86Å; Y763-T811 HydrophobicContact CD2-CG2 4.11Å; Y763-T811 HydrophobicContact CG-CG2 3.56Å; W767-T811 PolarHBondContact NE1-OG1 3.38Å; W767-T811 VanDerWaalsContact NE1-OG1 3.16Å; L808-T811 HydrophobicContact CD2-CG2 4.19Å; L808-T811 WeakPolarHBondContact O-CB 3.43Å; L808-T811 VanDerWaalsContact O-CG2 3.25Å; L808-T811 WeakPolarHBondContact O-CG2 3.39Å; L808-T811 PolarHBondContact O-N 3.42Å; L808-T811 PolarHBondContact O-OG1 3.13Å; I809-T811 VanDerWaalsContact C-N 3.26Å; I809-T811 PolarHBondContact O-N 2.97Å; T811-K813 PolarHBondContact O-N 3.21Å; T811-K813 VanDerWaalsContact O-N 3.16Å
812G73.4Confident81Confident43 Ų4336.7 Ų36.744%0.44320%0.2SC..SBendtrans70.90.5-176.700000114.6F810 H814F810-G812 PolarHBondContact O-N 3.44Å; G812-H814 PolarHBondContact O-CD2 3.18Å; G812-H814 PolarHBondContact O-N 3.14Å
813K78Confident80.8Confident52 Ų5236.6 Ų36.623%0.22620%0.2CC..  trans-81.161.5175.1-65.9-167.8-169.8170.40111D764 W767 T811 A815 E816 C817D764-K813 IonicContact OD1-NZ 3.46Å; D764-K813 PolarHBondContact OD1-NZ 3.4Å; W767-K813 HydrophobicContact CG-CD 4.38Å; T811-K813 PolarHBondContact O-N 3.21Å; T811-K813 VanDerWaalsContact O-N 3.16Å; K813-A815 VanDerWaalsContact C-N 3.25Å; K813-A815 PolarHBondContact O-N 3.11Å; K813-E816 HydrophobicContact CB-CB 4.33Å; K813-E816 WeakPolarHBondContact CB-OE2 3.4Å; K813-E816 PolarHBondContact O-N 3.06Å; K813-C817 PolarHBondContact O-N 3.19Å; K813-C817 PolarHBondContact O-SG 2.87Å; K813-C817 VanDerWaalsContact O-SG 3.35Å
814H77.2Confident80.5Confident54 Ų5432.7 Ų32.725%0.2518%0.183CC..Hα-helixtrans-61.4-30-167.9-64.5-88.3000114.2G812 K818 S854 I855 L858G812-H814 PolarHBondContact O-CD2 3.18Å; G812-H814 PolarHBondContact O-N 3.14Å; H814-K818 WeakPolarHBondContact O-CB 3.1Å; H814-K818 PolarHBondContact O-N 3.32Å; H814-S854 PolarHBondContact CE1-OG 3.45Å; H814-S854 VanDerWaalsContact CE1-OG 3.31Å; H814-I855 HydrophobicContact CB-CG1 4.02Å; H814-I855 VanDerWaalsContact ND1-CG1 3.27Å; H814-I855 WeakPolarHBondContact ND1-CG1 3.25Å; H814-L858 HydrophobicContact CB-CD1 3.06Å; H814-L858 VanDerWaalsContact CG-CD1 3.46Å
815A73.5Confident80.3Confident68 Ų6834.3 Ų34.356%0.56219%0.192SC*.Hα-helixtrans-70.1-42.9178.100000111.7K813 K818 Q819K813-A815 VanDerWaalsContact C-N 3.25Å; K813-A815 PolarHBondContact O-N 3.11Å; A815-K818 WeakPolarHBondContact O-CB 3.43Å; A815-K818 PolarHBondContact O-N 2.88Å; A815-Q819 PolarHBondContact O-N 3.13Å; A815-Q819 VanDerWaalsContact O-N 3.15Å
816E77.1Confident80Confident55 Ų5540.1 Ų40.126%0.25721%0.214SC..Hα-helixtrans-69.5-40.7174.8-62.392.3148.100111.4W767 K813 K818 Q819 L820W767-E816 HydrophobicContact CD2-CB 4.44Å; W767-E816 HydrophobicContact CE3-CB 4.18Å; W767-E816 VanDerWaalsContact CH2-C 3.4Å; W767-E816 HydrophobicContact CH2-CB 3.63Å; W767-E816 WeakPolarHBondContact CH2-O 3.44Å; W767-E816 HydrophobicContact CZ2-CB 3.88Å; W767-E816 HydrophobicContact CZ3-CB 3.78Å; K813-E816 HydrophobicContact CB-CB 4.33Å; K813-E816 WeakPolarHBondContact CB-OE2 3.4Å; K813-E816 PolarHBondContact O-N 3.06Å; E816-K818 VanDerWaalsContact C-N 3.26Å; E816-K818 PolarHBondContact O-N 3.49Å; E816-Q819 WeakPolarHBondContact O-CB 3.45Å; E816-Q819 PolarHBondContact O-N 3.47Å; E816-Q819 VanDerWaalsContact O-N 3.11Å; E816-L820 PolarHBondContact O-N 3.09Å
817C80.8Confident79.6Confident0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-58.6-38.3171.3-68.60000111.7L808 K813 L820 F821 I855L808-C817 PolarHBondContact O-SG 3.43Å; K813-C817 PolarHBondContact O-N 3.19Å; K813-C817 PolarHBondContact O-SG 2.87Å; K813-C817 VanDerWaalsContact O-SG 3.35Å; C817-L820 PolarHBondContact O-N 3.09Å; C817-F821 VanDerWaalsContact O-CB 3.24Å; C817-F821 WeakPolarHBondContact O-CB 3.42Å; C817-F821 PolarHBondContact O-N 2.86Å; C817-I855 HydrophobicContact CB-CD1 3.68Å; C817-I855 HydrophobicContact CB-CG1 4.45Å
818K81.2Confident79.3Confident51 Ų5142.4 Ų42.422%0.22222%0.222CC..Hα-helixtrans-63-42.8174.2-173.668.5-175.5169.10111.3H814 A815 E816 L820 F821 D822 E832 I855H814-K818 WeakPolarHBondContact O-CB 3.1Å; H814-K818 PolarHBondContact O-N 3.32Å; A815-K818 WeakPolarHBondContact O-CB 3.43Å; A815-K818 PolarHBondContact O-N 2.88Å; E816-K818 VanDerWaalsContact C-N 3.26Å; E816-K818 PolarHBondContact O-N 3.49Å; K818-L820 VanDerWaalsContact C-N 3.33Å; K818-L820 PolarHBondContact O-N 3.32Å; K818-F821 PolarHBondContact O-N 3.31Å; K818-D822 VanDerWaalsContact CE-OD1 3.24Å; K818-D822 WeakPolarHBondContact CE-OD1 3.39Å; K818-D822 IonicContact NZ-OD1 2.72Å; K818-D822 PolarHBondContact NZ-OD1 2.82Å; K818-D822 WeakPolarHBondContact O-CB 3.31Å; K818-D822 PolarHBondContact O-N 2.83Å; K818-E832 IonicContact NZ-OE1 3.6Å; K818-E832 PolarHBondContact NZ-OE1 2.96Å; K818-I855 HydrophobicContact CB-CG2 3.8Å; K818-I855 HydrophobicContact CD-CG2 3.88Å; K818-I855 HydrophobicContact CG-CG2 4.41Å
819Q80Confident78.9Confident72 Ų7244.9 Ų44.934%0.33625%0.248SC..Hα-helixtrans-60.7-42.9175.8-68.1176.92.500112.2I774 A815 E816 L823I774-Q819 HydrophobicContact CG2-CB 4.31Å; A815-Q819 PolarHBondContact O-N 3.13Å; A815-Q819 VanDerWaalsContact O-N 3.15Å; E816-Q819 WeakPolarHBondContact O-CB 3.45Å; E816-Q819 PolarHBondContact O-N 3.47Å; E816-Q819 VanDerWaalsContact O-N 3.11Å; Q819-L823 WeakPolarHBondContact O-CB 3.36Å; Q819-L823 PolarHBondContact O-N 3.21Å
820L81Confident78.7Confident0 Ų047.9 Ų47.90%026%0.262CS..Hα-helixtrans-68.3-40.1177.5-169.959.2000111.6W767 I774 L801 L804 L805 L808 E816 C817 K818 L823 V824W767-L820 HydrophobicContact CH2-CB 4.18Å; W767-L820 HydrophobicContact CH2-CD2 4.1Å; W767-L820 HydrophobicContact CZ3-CD2 4.44Å; I774-L820 HydrophobicContact CD1-CB 4.47Å; I774-L820 HydrophobicContact CD1-CD1 3.62Å; I774-L820 HydrophobicContact CD1-CG 4.49Å; I774-L820 HydrophobicContact CG1-CD1 4.02Å; L801-L820 HydrophobicContact CD2-CD1 3.85Å; L804-L820 HydrophobicContact CD2-CD2 4.23Å; L804-L820 HydrophobicContact CG-CD2 4.15Å; L805-L820 HydrophobicContact CB-CD2 4.01Å; L805-L820 HydrophobicContact CB-CG 4.26Å; L805-L820 HydrophobicContact CD1-CB 4.2Å; L805-L820 HydrophobicContact CD1-CD2 4.24Å; L805-L820 HydrophobicContact CD1-CG 4.27Å; L808-L820 HydrophobicContact CD1-CD2 4.13Å; E816-L820 PolarHBondContact O-N 3.09Å; C817-L820 PolarHBondContact O-N 3.09Å; K818-L820 VanDerWaalsContact C-N 3.33Å; K818-L820 PolarHBondContact O-N 3.32Å; L820-L823 HydrophobicContact CD1-CD2 4.34Å; L820-L823 WeakPolarHBondContact O-CB 3.48Å; L820-L823 PolarHBondContact O-N 2.95Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.73Å
821F83.7Confident78.8Confident2 Ų248 Ų481%0.00927%0.266CS..Hα-helixtrans-62.2-46174.4-178.4-95000111.8L805 C817 K818 L823 V824 L825 E832 L835 V836 L839 L852 L856L805-F821 HydrophobicContact CD1-CB 4.17Å; L805-F821 HydrophobicContact CD2-CB 4.22Å; L805-F821 HydrophobicContact CD2-CD2 3.73Å; L805-F821 HydrophobicContact CD2-CG 4.46Å; C817-F821 VanDerWaalsContact O-CB 3.24Å; C817-F821 WeakPolarHBondContact O-CB 3.42Å; C817-F821 PolarHBondContact O-N 2.86Å; K818-F821 PolarHBondContact O-N 3.31Å; F821-L823 VanDerWaalsContact C-N 3.25Å; F821-L823 PolarHBondContact O-N 3.02Å; F821-V824 PolarHBondContact O-N 3.17Å; F821-L825 HydrophobicContact CD1-CD1 3.52Å; F821-L825 HydrophobicContact CE1-CD1 3.06Å; F821-L825 HydrophobicContact CE2-CD1 4.37Å; F821-L825 HydrophobicContact CG-CD1 4.36Å; F821-L825 HydrophobicContact CZ-CD1 3.55Å; F821-L825 PolarHBondContact O-N 3.41Å; F821-E832 HydrophobicContact CE1-CG 3.59Å; F821-E832 HydrophobicContact CZ-CG 3.94Å; F821-L835 HydrophobicContact CD2-CD2 4.1Å; F821-L835 HydrophobicContact CE2-CD2 3.67Å; F821-L835 HydrophobicContact CE2-CG 4.18Å; F821-L835 HydrophobicContact CZ-CD2 3.98Å; F821-V836 HydrophobicContact CE2-CG2 4.14Å; F821-V836 HydrophobicContact CZ-CG2 3.95Å; F821-L839 HydrophobicContact CE2-CD1 4.42Å; F821-L852 HydrophobicContact CD2-CD2 3.75Å; F821-L852 HydrophobicContact CE2-CD2 3.63Å; F821-L856 HydrophobicContact CE1-CD2 3.91Å; F821-L856 HydrophobicContact CZ-CD2 4.35Å
822D81.7Confident78.7Confident75 Ų7549.9 Ų49.940%0.40127%0.273SS..Hα-helixtrans-64.2-32.2175.9-67.4-16.1000111.6K818 R826K818-D822 VanDerWaalsContact CE-OD1 3.24Å; K818-D822 WeakPolarHBondContact CE-OD1 3.39Å; K818-D822 IonicContact NZ-OD1 2.72Å; K818-D822 PolarHBondContact NZ-OD1 2.82Å; K818-D822 WeakPolarHBondContact O-CB 3.31Å; K818-D822 PolarHBondContact O-N 2.83Å; D822-R826 VanDerWaalsContact O-CB 3.31Å; D822-R826 WeakPolarHBondContact O-CB 3.17Å; D822-R826 PolarHBondContact O-N 3.08Å
823L79.4Confident78.7Confident28 Ų2853.4 Ų53.415%0.14728%0.281CS..Hα-helixtrans-67.8-46.9172.8-170.671.4000110.9I774 L801 Q819 L820 F821 L825 R826 E827I774-L823 HydrophobicContact CG1-CD2 4.14Å; L801-L823 HydrophobicContact CD1-CD2 4.41Å; L801-L823 HydrophobicContact CD2-CD2 3.81Å; Q819-L823 WeakPolarHBondContact O-CB 3.36Å; Q819-L823 PolarHBondContact O-N 3.21Å; L820-L823 HydrophobicContact CD1-CD2 4.34Å; L820-L823 WeakPolarHBondContact O-CB 3.48Å; L820-L823 PolarHBondContact O-N 2.95Å; F821-L823 VanDerWaalsContact C-N 3.25Å; F821-L823 PolarHBondContact O-N 3.02Å; L823-L825 PolarHBondContact O-N 3.02Å; L823-R826 WeakPolarHBondContact O-CB 3.3Å; L823-R826 PolarHBondContact O-N 3.31Å; L823-E827 WeakPolarHBondContact O-CG 3.48Å; L823-E827 PolarHBondContact O-N 3.41Å
824V80.6Confident78.7Confident0 Ų052.9 Ų52.90%029%0.287CS..Hα-helixtrans-56.6-51.7174.3174.30000109.9L801 E802 L805 L820 F821 R826 E827 T828 L835L801-V824 HydrophobicContact CB-CG2 3.75Å; E802-V824 HydrophobicContact CG-CG1 3.69Å; L805-V824 HydrophobicContact CD2-CG2 4.39Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.73Å; F821-V824 PolarHBondContact O-N 3.17Å; V824-R826 VanDerWaalsContact C-N 3.26Å; V824-R826 PolarHBondContact O-N 3.24Å; V824-E827 PolarHBondContact O-N 2.84Å; V824-E827 VanDerWaalsContact O-N 3.11Å; V824-T828 HydrophobicContact CG1-CG2 3.95Å; V824-T828 WeakPolarHBondContact O-CG2 3.2Å; V824-T828 PolarHBondContact O-N 3.26Å; V824-T828 PolarHBondContact O-OG1 3.19Å; V824-T828 VanDerWaalsContact O-OG1 3.05Å; V824-L835 HydrophobicContact CB-CD2 4.27Å; V824-L835 HydrophobicContact CG1-CD1 3.78Å; V824-L835 HydrophobicContact CG1-CD2 3.73Å; V824-L835 HydrophobicContact CG1-CG 4.41Å
825L80.9Confident78.7Confident33 Ų3350.3 Ų50.317%0.17328%0.275CS..Hα-helixtrans-54.2-41.6176.4-111.4131.3000113F821 L823 G829 E830 E832 L835F821-L825 HydrophobicContact CD1-CD1 3.52Å; F821-L825 HydrophobicContact CE1-CD1 3.06Å; F821-L825 HydrophobicContact CE2-CD1 4.37Å; F821-L825 HydrophobicContact CG-CD1 4.36Å; F821-L825 HydrophobicContact CZ-CD1 3.55Å; F821-L825 PolarHBondContact O-N 3.41Å; L823-L825 PolarHBondContact O-N 3.02Å; L825-G829 WeakPolarHBondContact O-CA 3.48Å; L825-G829 PolarHBondContact O-N 3.25Å; L825-E830 WeakPolarHBondContact CD2-O 3.19Å; L825-E832 HydrophobicContact CD1-CG 3.84Å; L825-L835 HydrophobicContact CB-CD2 4.44Å; L825-L835 HydrophobicContact CD1-CD2 3.77Å; L825-L835 HydrophobicContact CG-CD2 3.82Å
826R79.1Confident78.8Confident125 Ų12547.4 Ų47.447%0.47225%0.25SS..Hα-helixtrans-65.7-42.8179176.7177.2110.2174.67.3111.9D822 L823 V824D822-R826 VanDerWaalsContact O-CB 3.31Å; D822-R826 WeakPolarHBondContact O-CB 3.17Å; D822-R826 PolarHBondContact O-N 3.08Å; L823-R826 WeakPolarHBondContact O-CB 3.3Å; L823-R826 PolarHBondContact O-N 3.31Å; V824-R826 VanDerWaalsContact C-N 3.26Å; V824-R826 PolarHBondContact O-N 3.24Å
827E75.4Confident78.6Confident67 Ų6749.8 Ų49.831%0.31326%0.264SS..Hα-helixtrans-82.2-30.7-175-60.5-56.8139.900112.1T798 L801 L823 V824T798-E827 HydrophobicContact CG2-CB 3.7Å; L801-E827 HydrophobicContact CD1-CG 4.33Å; L823-E827 WeakPolarHBondContact O-CG 3.48Å; L823-E827 PolarHBondContact O-N 3.41Å; V824-E827 PolarHBondContact O-N 2.84Å; V824-E827 VanDerWaalsContact O-N 3.11Å
828T77Confident78.3Confident36 Ų3653.8 Ų53.822%0.22128%0.28CS..Hα-helixtrans-80.3-29.6174.363.30000112.8T798 E802 V824 E830T798-T828 HydrophobicContact CG2-CG2 3.6Å; E802-T828 WeakPolarHBondContact OE1-CG2 3.11Å; V824-T828 HydrophobicContact CG1-CG2 3.95Å; V824-T828 WeakPolarHBondContact O-CG2 3.2Å; V824-T828 PolarHBondContact O-N 3.26Å; V824-T828 PolarHBondContact O-OG1 3.19Å; V824-T828 VanDerWaalsContact O-OG1 3.05Å; T828-E830 PolarHBondContact O-N 3.38Å; T828-E830 PolarHBondContact OG1-N 2.87Å
829G76.5Confident77.8Confident52 Ų5251.8 Ų51.854%0.53627%0.271SS..  trans71.212-175.100000114.4L825L825-G829 WeakPolarHBondContact O-CA 3.48Å; L825-G829 PolarHBondContact O-N 3.25Å
830E76.8Confident77.2Confident65 Ų6550.1 Ų50.130%0.30427%0.267SS..  trans-75.9165.6177.4-69.5-179.2152.700112.2L825 T828 L835 R838L825-E830 WeakPolarHBondContact CD2-O 3.19Å; T828-E830 PolarHBondContact O-N 3.38Å; T828-E830 PolarHBondContact OG1-N 2.87Å; E830-L835 HydrophobicContact CB-CB 4.48Å; E830-L835 WeakPolarHBondContact OE2-CD1 3.29Å; E830-R838 IonicContact OE1-CZ 2.93Å; E830-R838 IonicContact OE1-NE 2.97Å; E830-R838 PolarHBondContact OE1-NE 3.05Å; E830-R838 IonicContact OE1-NH2 3.85Å; E830-R838 IonicContact OE2-CZ 3.76Å; E830-R838 VanDerWaalsContact OE2-CZ 3.3Å; E830-R838 IonicContact OE2-NE 2.65Å; E830-R838 PolarHBondContact OE2-NE 3Å; E830-R838 IonicContact OE2-NH2 3.86Å; E830-R838 PolarHBondContact OE2-NH2 3.18Å
831D80.9Confident75.9Confident93 Ų9355.5 Ų55.550%0.49730%0.3SS..  trans-81.7157.7168.313269.8000110.6D833 A834 L835D831-D833 VanDerWaalsContact C-N 3.32Å; D831-D833 PolarHBondContact O-N 3.49Å; D831-D833 PolarHBondContact OD1-N 2.98Å; D831-D833 VanDerWaalsContact OD1-N 3.13Å; D831-A834 HydrophobicContact CB-CB 4.47Å; D831-A834 PolarHBondContact O-N 3.42Å; D831-A834 PolarHBondContact OD2-N 2.85Å; D831-A834 VanDerWaalsContact OD2-N 3.14Å; D831-L835 PolarHBondContact O-N 2.97Å
832E78.7Confident74.4Confident76 Ų7659 Ų5936%0.35532%0.323SS..Hα-helixtrans-58.8-42.6-176-133.6175.2-167.500111.4K818 F821 L825 V836 L856K818-E832 IonicContact NZ-OE1 3.6Å; K818-E832 PolarHBondContact NZ-OE1 2.96Å; F821-E832 HydrophobicContact CE1-CG 3.59Å; F821-E832 HydrophobicContact CZ-CG 3.94Å; L825-E832 HydrophobicContact CD1-CG 3.84Å; E832-V836 VanDerWaalsContact O-CG2 3.24Å; E832-V836 WeakPolarHBondContact O-CG2 3.34Å; E832-V836 PolarHBondContact O-N 3.27Å; E832-L856 VanDerWaalsContact CD-CD2 3.43Å; E832-L856 HydrophobicContact CG-CD2 3.95Å; E832-L856 WeakPolarHBondContact OE1-CD2 3.49Å
833D74.2Confident72.6Confident117 Ų11763.8 Ų63.863%0.62635%0.348SS*.Hα-helixtrans-71.1-43.8179.7-71.8-34.7000111.4D831 L835 V836 D837D831-D833 VanDerWaalsContact C-N 3.32Å; D831-D833 PolarHBondContact O-N 3.49Å; D831-D833 PolarHBondContact OD1-N 2.98Å; D831-D833 VanDerWaalsContact OD1-N 3.13Å; D833-L835 VanDerWaalsContact C-N 3.34Å; D833-L835 PolarHBondContact O-N 2.6Å; D833-V836 PolarHBondContact O-N 2.88Å; D833-D837 PolarHBondContact O-N 2.94Å
834A76.6Confident70.9Confident41 Ų4165.4 Ų65.434%0.33936%0.359SS..Hα-helixtrans-59.7-41.1177.100000113.1D831 R838D831-A834 HydrophobicContact CB-CB 4.47Å; D831-A834 PolarHBondContact O-N 3.42Å; D831-A834 PolarHBondContact OD2-N 2.85Å; D831-A834 VanDerWaalsContact OD2-N 3.14Å; A834-R838 WeakPolarHBondContact O-CB 3.49Å; A834-R838 PolarHBondContact O-N 3.14Å
835L76.9Confident69.5Low0 Ų072.6 Ų72.60%039%0.392CS..Hα-helixtrans-68-40.6177.3-179.365.1000111.4F821 V824 L825 E830 D831 D833 R838 L839F821-L835 HydrophobicContact CD2-CD2 4.1Å; F821-L835 HydrophobicContact CE2-CD2 3.67Å; F821-L835 HydrophobicContact CE2-CG 4.18Å; F821-L835 HydrophobicContact CZ-CD2 3.98Å; V824-L835 HydrophobicContact CB-CD2 4.27Å; V824-L835 HydrophobicContact CG1-CD1 3.78Å; V824-L835 HydrophobicContact CG1-CD2 3.73Å; V824-L835 HydrophobicContact CG1-CG 4.41Å; L825-L835 HydrophobicContact CB-CD2 4.44Å; L825-L835 HydrophobicContact CD1-CD2 3.77Å; L825-L835 HydrophobicContact CG-CD2 3.82Å; E830-L835 HydrophobicContact CB-CB 4.48Å; E830-L835 WeakPolarHBondContact OE2-CD1 3.29Å; D831-L835 PolarHBondContact O-N 2.97Å; D833-L835 VanDerWaalsContact C-N 3.34Å; D833-L835 PolarHBondContact O-N 2.6Å; L835-R838 PolarHBondContact O-N 3.46Å; L835-L839 HydrophobicContact CD1-CD1 4.05Å; L835-L839 HydrophobicContact CD1-CG 4.14Å; L835-L839 HydrophobicContact CD2-CD1 4.45Å; L835-L839 HydrophobicContact CG-CD1 3.88Å; L835-L839 HydrophobicContact CG-CG 4.35Å; L835-L839 WeakPolarHBondContact O-CB 3.44Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.48Å; L835-L839 PolarHBondContact O-N 3.43Å
836V76.3Confident68.2Low8 Ų876.7 Ų76.75%0.04842%0.419CS..Hα-helixtrans-63.4-44.4176.9169.30000110.9F821 E832 D833 R838 L839 S840 M849 L852 L856F821-V836 HydrophobicContact CE2-CG2 4.14Å; F821-V836 HydrophobicContact CZ-CG2 3.95Å; E832-V836 VanDerWaalsContact O-CG2 3.24Å; E832-V836 WeakPolarHBondContact O-CG2 3.34Å; E832-V836 PolarHBondContact O-N 3.27Å; D833-V836 PolarHBondContact O-N 2.88Å; V836-R838 VanDerWaalsContact C-N 3.35Å; V836-R838 PolarHBondContact O-N 3.23Å; V836-L839 PolarHBondContact O-N 3.24Å; V836-S840 VanDerWaalsContact O-CB 3.27Å; V836-S840 WeakPolarHBondContact O-CB 3.43Å; V836-S840 PolarHBondContact O-N 2.87Å; V836-S840 PolarHBondContact O-OG 3.26Å; V836-M849 HydrophobicContact CG1-CG 4.42Å; V836-L852 HydrophobicContact CG1-CD1 4.24Å; V836-L852 HydrophobicContact CG2-CB 4.48Å; V836-L852 HydrophobicContact CG2-CD1 4.38Å; V836-L856 HydrophobicContact CG2-CD1 4.24Å
837D72.6Confident67.2Low104 Ų10472.2 Ų72.256%0.55641%0.407SS*.Hα-helixtrans-60.5-45.9176-91.8-3.1000110.6D833 L839 S840 T841D833-D837 PolarHBondContact O-N 2.94Å; D837-L839 PolarHBondContact O-N 2.83Å; D837-S840 WeakPolarHBondContact CA-OG 3.32Å; D837-S840 PolarHBondContact O-N 2.87Å; D837-S840 VanDerWaalsContact O-N 3.12Å; D837-S840 PolarHBondContact O-OG 3.15Å; D837-T841 PolarHBondContact O-N 3.44Å
838R74.9Confident66.7Low85 Ų8569.1 Ų69.132%0.32139%0.392SS..Hα-helixtrans-61.6-47.9178.5-168.2162.762.495.32.7112.4E802 E830 A834 L835 V836 S840 T841E802-R838 IonicContact OE1-CZ 3.51Å; E802-R838 VanDerWaalsContact OE1-CZ 3.25Å; E802-R838 IonicContact OE1-NH1 2.98Å; E802-R838 PolarHBondContact OE1-NH1 3.16Å; E802-R838 IonicContact OE1-NH2 2.8Å; E802-R838 PolarHBondContact OE1-NH2 3.27Å; E802-R838 IonicContact OE2-CZ 3.54Å; E802-R838 IonicContact OE2-NH1 3.3Å; E802-R838 PolarHBondContact OE2-NH1 2.96Å; E802-R838 IonicContact OE2-NH2 3.07Å; E830-R838 IonicContact OE1-CZ 2.93Å; E830-R838 IonicContact OE1-NE 2.97Å; E830-R838 PolarHBondContact OE1-NE 3.05Å; E830-R838 IonicContact OE1-NH2 3.85Å; E830-R838 IonicContact OE2-CZ 3.76Å; E830-R838 VanDerWaalsContact OE2-CZ 3.3Å; E830-R838 IonicContact OE2-NE 2.65Å; E830-R838 PolarHBondContact OE2-NE 3Å; E830-R838 IonicContact OE2-NH2 3.86Å; E830-R838 PolarHBondContact OE2-NH2 3.18Å; A834-R838 WeakPolarHBondContact O-CB 3.49Å; A834-R838 PolarHBondContact O-N 3.14Å; L835-R838 PolarHBondContact O-N 3.46Å; V836-R838 VanDerWaalsContact C-N 3.35Å; V836-R838 PolarHBondContact O-N 3.23Å; R838-S840 PolarHBondContact O-N 2.92Å; R838-T841 PolarHBondContact O-N 3Å; R838-T841 PolarHBondContact O-OG1 2.86Å
839L71.2Confident66.1Low9 Ų970.5 Ų70.55%0.04740%0.397CS..Hα-helixtrans-66.6-19.7176.6-67.2173.3000113.2E802 L805 V806 F821 L835 V836 D837 T842 L852E802-L839 HydrophobicContact CB-CD2 4.13Å; E802-L839 HydrophobicContact CG-CD2 4.29Å; L805-L839 HydrophobicContact CD2-CD1 3.76Å; V806-L839 HydrophobicContact CG2-CD2 3.97Å; F821-L839 HydrophobicContact CE2-CD1 4.42Å; L835-L839 HydrophobicContact CD1-CD1 4.05Å; L835-L839 HydrophobicContact CD1-CG 4.14Å; L835-L839 HydrophobicContact CD2-CD1 4.45Å; L835-L839 HydrophobicContact CG-CD1 3.88Å; L835-L839 HydrophobicContact CG-CG 4.35Å; L835-L839 WeakPolarHBondContact O-CB 3.44Å; L835-L839 VanDerWaalsContact O-CG 3.27Å; L835-L839 WeakPolarHBondContact O-CG 3.48Å; L835-L839 PolarHBondContact O-N 3.43Å; V836-L839 PolarHBondContact O-N 3.24Å; D837-L839 PolarHBondContact O-N 2.83Å; L839-T842 PolarHBondContact O-OG1 3.4Å; L839-T842 VanDerWaalsContact O-OG1 3.07Å; L839-L852 HydrophobicContact CB-CD1 4.24Å
840S66Low65.6Low36 Ų3674.6 Ų74.625%0.25240%0.402SS..Hα-helixtrans-85.3-11.5176.872.70000114.1V836 D837 R838V836-S840 VanDerWaalsContact O-CB 3.27Å; V836-S840 WeakPolarHBondContact O-CB 3.43Å; V836-S840 PolarHBondContact O-N 2.87Å; V836-S840 PolarHBondContact O-OG 3.26Å; D837-S840 WeakPolarHBondContact CA-OG 3.32Å; D837-S840 PolarHBondContact O-N 2.87Å; D837-S840 VanDerWaalsContact O-N 3.12Å; D837-S840 PolarHBondContact O-OG 3.15Å; R838-S840 PolarHBondContact O-N 2.92Å
841T55.5Low65Low113 Ų11373.4 Ų73.469%0.69340%0.398SS*.SBendtrans-86.7-10.2178.856.50000114.8D837 R838 D843D837-T841 PolarHBondContact O-N 3.44Å; R838-T841 PolarHBondContact O-N 3Å; R838-T841 PolarHBondContact O-OG1 2.86Å; T841-D843 PolarHBondContact O-N 2.84Å
842T51Low64.4Low77 Ų7769.1 Ų69.147%0.47238%0.375SS..SBendtrans-87.290.4176.342.10000110.9L839 T844L839-T842 PolarHBondContact O-OG1 3.4Å; L839-T842 VanDerWaalsContact O-OG1 3.07Å; T842-T844 WeakPolarHBondContact O-CB 3.36Å; T842-T844 PolarHBondContact O-N 2.8Å; T842-T844 PolarHBondContact O-OG1 2.97Å
843D44.2Very low64Low175 Ų17571.3 Ų71.394%0.93638%0.383SS*.SBendtrans28.618.4160.4-98.2-14.2000121T841T841-D843 PolarHBondContact O-N 2.84Å
844T44.4Very low63.5Low62 Ų6267.6 Ų67.638%0.3837%0.366SS..  trans-124.2121.4-174.5460000108.1T842T842-T844 WeakPolarHBondContact O-CB 3.36Å; T842-T844 PolarHBondContact O-N 2.8Å; T842-T844 PolarHBondContact O-OG1 2.97Å
845E50.9Low63Low150 Ų15065.9 Ų65.970%0.70135%0.351SS*.  trans-20.7152.8-178.9-64.1178.3149.500117.5S847 V848E845-S847 PolarHBondContact O-N 2.79Å; E845-S847 PolarHBondContact OE2-OG 2.94Å; E845-V848 PolarHBondContact O-N 2.63Å
846V52.7Low62.5Low120 Ų12068.5 Ų68.573%0.72737%0.365SS*.Hα-helixtrans-38.7-23.5163.71790000113.8M849 Q850V846-M849 PolarHBondContact O-N 2.69Å; V846-Q850 PolarHBondContact O-N 3.46Å
847S58.9Low61.8Low31 Ų3172.4 Ų72.422%0.21739%0.393CS..Hα-helixtrans-61.8-38.3174.674.10000114.5E845 M849 Q850 L851E845-S847 PolarHBondContact O-N 2.79Å; E845-S847 PolarHBondContact OE2-OG 2.94Å; S847-M849 VanDerWaalsContact C-N 3.34Å; S847-M849 PolarHBondContact O-N 2.77Å; S847-Q850 PolarHBondContact O-N 3.42Å; S847-L851 WeakPolarHBondContact O-CB 3.43Å; S847-L851 PolarHBondContact O-N 3.44Å
848V64.2Low61Low2 Ų271.7 Ų71.71%0.01239%0.388CS..Hα-helixtrans-63.4-43.8178.3176.80000110.4F810 E845 Q850 L851 L852F810-V848 HydrophobicContact CE1-CG2 4.3Å; F810-V848 HydrophobicContact CE2-CG2 4.05Å; F810-V848 HydrophobicContact CZ-CG2 3.42Å; F810-V848 VanDerWaalsContact CZ-CG2 3.42Å; E845-V848 PolarHBondContact O-N 2.63Å; V848-Q850 VanDerWaalsContact C-N 3.35Å; V848-Q850 PolarHBondContact O-N 2.93Å; V848-L851 PolarHBondContact O-N 3.11Å; V848-L852 HydrophobicContact CG1-CD1 4Å; V848-L852 WeakPolarHBondContact O-CB 3.29Å; V848-L852 PolarHBondContact O-N 2.93Å
849M64Low59.3Low65 Ų6574.2 Ų74.232%0.3241%0.408SS..Hα-helixtrans-67.4-36.2-179.1-132.3-115.9-98.200111.6V836 V846 S847 K853V836-M849 HydrophobicContact CG1-CG 4.42Å; V846-M849 PolarHBondContact O-N 2.69Å; S847-M849 VanDerWaalsContact C-N 3.34Å; S847-M849 PolarHBondContact O-N 2.77Å; M849-K853 WeakPolarHBondContact O-CB 3.36Å; M849-K853 WeakPolarHBondContact O-CG 3.47Å; M849-K853 PolarHBondContact O-N 3.1Å; M849-K853 VanDerWaalsContact O-N 3.13Å; M849-K853 HydrophobicContact SD-CD 4.49Å; M849-K853 PolarHBondContact SD-NZ 3.41Å; M849-K853 VanDerWaalsContact SD-NZ 3.37Å
850Q65.8Low57.7Low138 Ų13883.9 Ų83.965%0.64545%0.45SS*.Hα-helixtrans-66.3-42.7171.3-96.4-179.4-2200112.5V846 S847 V848 K853 S854V846-Q850 PolarHBondContact O-N 3.46Å; S847-Q850 PolarHBondContact O-N 3.42Å; V848-Q850 VanDerWaalsContact C-N 3.35Å; V848-Q850 PolarHBondContact O-N 2.93Å; Q850-K853 PolarHBondContact O-N 3.08Å; Q850-S854 PolarHBondContact O-N 3.02Å
851L66.2Low56.1Low39 Ų3986.5 Ų86.520%0.20447%0.466CS..Hα-helixtrans-66.2-43.9178.5-89.3155.5000111.9I809 F810 S847 V848 K853 S854 I855I809-L851 HydrophobicContact CD1-CB 4.3Å; I809-L851 HydrophobicContact CG1-CB 4.25Å; F810-L851 HydrophobicContact CD1-CD1 3.45Å; F810-L851 VanDerWaalsContact CD1-CD1 3.45Å; F810-L851 HydrophobicContact CE1-CD1 3.65Å; F810-L851 HydrophobicContact CG-CD1 4.39Å; S847-L851 WeakPolarHBondContact O-CB 3.43Å; S847-L851 PolarHBondContact O-N 3.44Å; V848-L851 PolarHBondContact O-N 3.11Å; L851-K853 VanDerWaalsContact C-N 3.35Å; L851-K853 PolarHBondContact O-N 3.01Å; L851-S854 WeakPolarHBondContact O-CB 3.42Å; L851-S854 PolarHBondContact O-N 3.46Å; L851-S854 VanDerWaalsContact O-N 3.12Å; L851-S854 PolarHBondContact O-OG 2.97Å; L851-I855 WeakPolarHBondContact O-CG1 3.4Å; L851-I855 PolarHBondContact O-N 3.34Å
852L68.1Low54.8Low3 Ų385.2 Ų85.22%0.01646%0.461CS..Hα-helixtrans-55.7-49.3171.9-82.3165.5000110.8I809 F821 V836 L839 V848 S854 I855 L856I809-L852 HydrophobicContact CD1-CB 4.38Å; I809-L852 HydrophobicContact CD1-CD1 4.48Å; I809-L852 HydrophobicContact CD1-CD2 3.6Å; I809-L852 HydrophobicContact CD1-CG 3.48Å; I809-L852 VanDerWaalsContact CD1-CG 3.48Å; F821-L852 HydrophobicContact CD2-CD2 3.75Å; F821-L852 HydrophobicContact CE2-CD2 3.63Å; V836-L852 HydrophobicContact CG1-CD1 4.24Å; V836-L852 HydrophobicContact CG2-CB 4.48Å; V836-L852 HydrophobicContact CG2-CD1 4.38Å; L839-L852 HydrophobicContact CB-CD1 4.24Å; V848-L852 HydrophobicContact CG1-CD1 4Å; V848-L852 WeakPolarHBondContact O-CB 3.29Å; V848-L852 PolarHBondContact O-N 2.93Å; L852-S854 VanDerWaalsContact C-N 3.29Å; L852-S854 PolarHBondContact O-N 3.32Å; L852-I855 PolarHBondContact O-N 2.93Å; L852-I855 VanDerWaalsContact O-N 3.15Å; L852-L856 VanDerWaalsContact O-CG 3.28Å; L852-L856 WeakPolarHBondContact O-CG 3.47Å; L852-L856 PolarHBondContact O-N 3.33Å
853K69.2Low53.8Low123 Ų12392.9 Ų92.954%0.53548%0.482SS..Hα-helixtrans-60.3-36176-76174.3178.7170.60113M849 Q850 L851 S857M849-K853 WeakPolarHBondContact O-CB 3.36Å; M849-K853 WeakPolarHBondContact O-CG 3.47Å; M849-K853 PolarHBondContact O-N 3.1Å; M849-K853 VanDerWaalsContact O-N 3.13Å; M849-K853 HydrophobicContact SD-CD 4.49Å; M849-K853 PolarHBondContact SD-NZ 3.41Å; M849-K853 VanDerWaalsContact SD-NZ 3.37Å; Q850-K853 PolarHBondContact O-N 3.08Å; L851-K853 VanDerWaalsContact C-N 3.35Å; L851-K853 PolarHBondContact O-N 3.01Å; K853-S857 PolarHBondContact O-N 3.21Å
854S64.7Low53Low38 Ų3895.4 Ų95.427%0.26648%0.478SS..Hα-helixtrans-68-38.4175.679.40000112.6H814 Q850 L851 L852 S857H814-S854 PolarHBondContact CE1-OG 3.45Å; H814-S854 VanDerWaalsContact CE1-OG 3.31Å; Q850-S854 PolarHBondContact O-N 3.02Å; L851-S854 WeakPolarHBondContact O-CB 3.42Å; L851-S854 PolarHBondContact O-N 3.46Å; L851-S854 VanDerWaalsContact O-N 3.12Å; L851-S854 PolarHBondContact O-OG 2.97Å; L852-S854 VanDerWaalsContact C-N 3.29Å; L852-S854 PolarHBondContact O-N 3.32Å; S854-S857 WeakPolarHBondContact O-CB 3.42Å; S854-S857 PolarHBondContact O-N 2.87Å; S854-S857 VanDerWaalsContact O-N 3.12Å; S854-S857 PolarHBondContact O-OG 3.34Å
855I65.6Low52.2Low6 Ų6100.6 Ų100.63%0.03149%0.491CS..Hα-helixtrans-66.7-40.1176.6-68.7163.4000110.7I809 H814 C817 K818 L851 L852 S857 L858I809-I855 HydrophobicContact CD1-CD1 3.78Å; I809-I855 HydrophobicContact CG1-CD1 3.36Å; H814-I855 HydrophobicContact CB-CG1 4.02Å; H814-I855 VanDerWaalsContact ND1-CG1 3.27Å; H814-I855 WeakPolarHBondContact ND1-CG1 3.25Å; C817-I855 HydrophobicContact CB-CD1 3.68Å; C817-I855 HydrophobicContact CB-CG1 4.45Å; K818-I855 HydrophobicContact CB-CG2 3.8Å; K818-I855 HydrophobicContact CD-CG2 3.88Å; K818-I855 HydrophobicContact CG-CG2 4.41Å; L851-I855 WeakPolarHBondContact O-CG1 3.4Å; L851-I855 PolarHBondContact O-N 3.34Å; L852-I855 PolarHBondContact O-N 2.93Å; L852-I855 VanDerWaalsContact O-N 3.15Å; I855-S857 PolarHBondContact O-N 3.46Å; I855-L858 PolarHBondContact O-N 2.83Å
856L65.6Low51.1Low55 Ų55101.9 Ų101.929%0.28850%0.497SS..Hα-helixtrans-62.7-26.2173.3-65.7173.5000112.5F821 E832 V836 L852F821-L856 HydrophobicContact CE1-CD2 3.91Å; F821-L856 HydrophobicContact CZ-CD2 4.35Å; E832-L856 VanDerWaalsContact CD-CD2 3.43Å; E832-L856 HydrophobicContact CG-CD2 3.95Å; E832-L856 WeakPolarHBondContact OE1-CD2 3.49Å; V836-L856 HydrophobicContact CG2-CD1 4.24Å; L852-L856 VanDerWaalsContact O-CG 3.28Å; L852-L856 WeakPolarHBondContact O-CG 3.47Å; L852-L856 PolarHBondContact O-N 3.33Å
857S62.2Low49.8Very low90 Ų90100.1 Ų100.163%0.62950%0.495SS*.Hα-helixtrans-83.1-12.7-177.979.80000115.2K853 S854 I855 N859K853-S857 PolarHBondContact O-N 3.21Å; S854-S857 WeakPolarHBondContact O-CB 3.42Å; S854-S857 PolarHBondContact O-N 2.87Å; S854-S857 VanDerWaalsContact O-N 3.12Å; S854-S857 PolarHBondContact O-OG 3.34Å; I855-S857 PolarHBondContact O-N 3.46Å; S857-N859 VanDerWaalsContact C-N 3.35Å; S857-N859 PolarHBondContact O-N 3.47Å
858L54.7Low48.2Very low89 Ų89105.1 Ų105.147%0.46652%0.519SS..SBendtrans-79.2-4.1-163.1-94.9160.7000116.7H814 I855H814-L858 HydrophobicContact CB-CD1 3.06Å; H814-L858 VanDerWaalsContact CG-CD1 3.46Å; I855-L858 PolarHBondContact O-N 2.83Å
859N40.7Very low46.4Very low137 Ų137110 Ų11073%0.73355%0.551SS**  trans-157.6118.2166.8-92.6-49.7000111.1S857 P861S857-N859 VanDerWaalsContact C-N 3.35Å; S857-N859 PolarHBondContact O-N 3.47Å; N859-P861 HydrophobicContact CB-CG 4.21Å; N859-P861 VanDerWaalsContact O-CD 3.31Å; N859-P861 WeakPolarHBondContact O-CD 3.24Å
860K38.2Very low44.5Very low213 Ų213112.5 Ų112.593%0.92656%0.562SS**  trans-90.7104.8146.2-81-177.6177175.30107.6
861P31.5Very low42.5Very low91 Ų91109.9 Ų109.959%0.59155%0.551SS**  trans-115.9117.8169.532.1-16.6000112.1N859N859-P861 HydrophobicContact CB-CG 4.21Å; N859-P861 VanDerWaalsContact O-CD 3.31Å; N859-P861 WeakPolarHBondContact O-CD 3.24Å
862S28.9Very low40.5Very low85 Ų85115.7 Ų115.759%0.59458%0.575SS**  trans50.7127.1143.676.70000120.5R864S862-R864 PolarHBondContact O-N 3.44Å
863R29.6Very low38.5Very low238 Ų238120.6 Ų120.690%0.89859%0.593SS**THydrogen-bonded Turntrans-60.937.7168.2-76.2179.1164.9179-4.7115.1
864R27Very low36.4Very low228 Ų228123.6 Ų123.686%0.8661%0.606SS**THydrogen-bonded Turntrans-133.921.7178.5-136.3175.5-176.3173.60114.7S862S862-R864 PolarHBondContact O-N 3.44Å
865W27.4Very low34.7Very low171 Ų171127.6 Ų127.665%0.64862%0.619SS**SBendtrans-117.15.4167.6-92.794.9000114.2A867 L868W865-A867 PolarHBondContact O-N 2.82Å; W865-A867 VanDerWaalsContact O-N 3.16Å; W865-L868 HydrophobicContact CE3-CB 4.14Å; W865-L868 HydrophobicContact CZ3-CB 3.96Å
866Q27.4Very low32.8Very low178 Ų178131.8 Ų131.883%0.83265%0.648SS**THydrogen-bonded Turntrans-76.110.8175.7-82.3179.7-31.400114.9
867A26.2Very low31Very low83 Ų83137.4 Ų137.469%0.68668%0.678SS**THydrogen-bonded Turntrans-126.31.1-179.400000115.2W865W865-A867 PolarHBondContact O-N 2.82Å; W865-A867 VanDerWaalsContact O-N 3.16Å
868L26Very low29.6Very low136 Ų136135.4 Ų135.471%0.71266%0.663SS**THydrogen-bonded Turntrans-127.71.5-176.8-91.3151.5000115W865W865-L868 HydrophobicContact CE3-CB 4.14Å; W865-L868 HydrophobicContact CZ3-CB 3.96Å
869C24.4Very low28.9Very low103 Ų103133.3 Ų133.370%0.69666%0.663SS**  trans-107.949.4173.6-68.70000112.8
870Q24.9Very low29Very low118 Ų118136.1 Ų136.155%0.55167%0.672SS**  trans-111.180.7161-83.3-178.7-18.100107.4Q1093Q870-Q1093 HydrophobicContact CB-CG 4.48Å
871M25.1Very low29.9Very low84 Ų84129 Ų12941%0.41466%0.659SS.*  trans175.960.2169-101.5158.6-131.500110.5Q1093 K1095 E1096M871-Q1093 HydrophobicContact CE-CB 3.7Å; M871-Q1093 HydrophobicContact CE-CG 3.8Å; M871-Q1093 HydrophobicContact CG-CG 4.07Å; M871-K1095 HydrophobicContact CE-CD 4.22Å; M871-K1095 HydrophobicContact CE-CG 3.91Å; M871-E1096 HydrophobicContact CE-CB 3.88Å; M871-E1096 HydrophobicContact CE-CG 3.25Å; M871-E1096 WeakPolarHBondContact CE-OE1 3.43Å; M871-E1096 HydrophobicContact CG-CG 4.35Å; M871-E1096 WeakPolarHBondContact CG-OE1 3.39Å; M871-E1096 HydrophobicContact SD-CG 3.4Å; M871-E1096 WeakPolarHBondContact SD-CG 3.35Å
872K24.3Very low31.8Very low160 Ų160129.2 Ų129.270%0.69665%0.648SS**  trans-143.8101.6154.4-86.5-168.2-173.8164.90107.4
873R25.9Very low34.4Very low107 Ų107126.9 Ų126.940%0.40463%0.631SS.*  trans-88.9134.5165.4-107.2178.8-177-148.214.1108.6K875 T1091R873-K875 PolarHBondContact O-N 2.93Å; R873-T1091 VanDerWaalsContact NE-CG2 3.25Å; R873-T1091 PolarHBondContact NH1-OG1 3.43Å
874K25.1Very low37.2Very low186 Ų186119.7 Ų119.781%0.80961%0.607SS**  trans-25.5120.2158.2-70.8175.8169.2-176.90111.6
875K29.1Very low40.1Very low121 Ų121109.2 Ų109.253%0.52657%0.568SS.*  trans-100.691.6150.3-92-172.8172.6-174.20107.1R873R873-K875 PolarHBondContact O-N 2.93Å
876S25.5Very low43.1Very low94 Ų94102.7 Ų102.766%0.65755%0.546SS*.  trans-54.5142.1141.346.40000107.7P878S876-P878 WeakPolarHBondContact O-CD 3.37Å
877L27.2Very low46Very low173 Ų17396.2 Ų96.291%0.90652%0.515SS*.  trans-41.4112164.7-77.4153.7000109.4G879L877-G879 PolarHBondContact O-N 3.32Å
878P33.3Very low48.9Very low48 Ų4899.2 Ų99.231%0.31252%0.52SS..  trans-85.1100.3171.214.32.7000106.4S876 R1048 E1088S876-P878 WeakPolarHBondContact O-CD 3.37Å; P878-R1048 PolarHBondContact O-NH2 3.35Å; P878-E1088 HydrophobicContact CB-CG 4.22Å
879G38.6Very low52Low46 Ų4693.8 Ų93.847%0.47449%0.49SS..SBendtrans-148.6-31.1-171.300000115.9L877L877-G879 PolarHBondContact O-N 3.32Å
880E44.6Very low55.2Low196 Ų19689.2 Ų89.292%0.91646%0.459SS*.SBendtrans-138.88.5-171.8-64.6-174.5165.600114.2
881G55.1Low58.3Low64 Ų6485.2 Ų85.266%0.6644%0.441SS*.PPolyproline II helixtrans-80.9131.7178.400000112.3
882R72.6Confident61.3Low95 Ų9583.6 Ų83.636%0.35843%0.434SS..PPolyproline II helixtrans-61.4145.8172.4-66.6-174.2176.8157.7-0.7111W942 D943 Y946R882-W942 VanDerWaalsContact NH2-CB 3.35Å; R882-D943 IonicContact CZ-OD1 2.63Å; R882-D943 IonicContact NE-OD1 3.8Å; R882-D943 IonicContact NH2-OD1 3.22Å; R882-D943 PolarHBondContact NH2-OD1 3.09Å; R882-Y946 HydrophobicContact CB-CD1 4.05Å; R882-Y946 HydrophobicContact CB-CE1 3.73Å; R882-Y946 VanDerWaalsContact CD-CE2 3.43Å; R882-Y946 HydrophobicContact CG-CE1 4.49Å
883P82.9Confident64.3Low36 Ų3681.1 Ų81.123%0.23443%0.434CS..PPolyproline II helixtrans-63.3145.7179.526.9-35.3000111.5L885 Y946 R1212P883-L885 VanDerWaalsContact C-N 3.32Å; P883-L885 HydrophobicContact CB-CD2 4.05Å; P883-L885 HydrophobicContact CB-CG 4.23Å; P883-L885 HydrophobicContact CG-CD1 4.43Å; P883-L885 HydrophobicContact CG-CD2 4.25Å; P883-L885 HydrophobicContact CG-CG 4.13Å; P883-L885 PolarHBondContact O-N 3.4Å; P883-L885 VanDerWaalsContact O-N 3.1Å; P883-Y946 HydrophobicContact CG-CD1 4.2Å; P883-Y946 WeakPolarHBondContact O-CE1 3.44Å; P883-R1212 HydrophobicContact CB-CB 4.39Å; P883-R1212 HydrophobicContact CB-CG 4.28Å
884E88.3Confident67.4Low86 Ų8680.2 Ų80.240%0.40245%0.449SS..  trans-91.370.9178.3-169.7177.5142.900110.1R1211 L1214 K1216 F1226E884-R1211 PolarHBondContact N-O 2.82Å; E884-R1211 VanDerWaalsContact O-CB 3.32Å; E884-R1211 WeakPolarHBondContact O-CB 3.42Å; E884-R1211 WeakPolarHBondContact O-CG 3.47Å; E884-L1214 HydrophobicContact CB-CD2 3.62Å; E884-K1216 IonicContact OE1-NZ 2.81Å; E884-K1216 PolarHBondContact OE1-NZ 3.3Å; E884-K1216 IonicContact OE2-NZ 3.35Å; E884-K1216 PolarHBondContact OE2-NZ 2.91Å; E884-F1226 HydrophobicContact CB-CZ 3.76Å; E884-F1226 VanDerWaalsContact CD-CZ 3.45Å; E884-F1226 HydrophobicContact CG-CE2 4.21Å; E884-F1226 HydrophobicContact CG-CZ 3.82Å; E884-F1226 WeakPolarHBondContact OE1-CE2 3.28Å; E884-F1226 WeakPolarHBondContact OE1-CZ 3.49Å
885L89.3Confident70.5Confident8 Ų877.2 Ų77.24%0.04243%0.433CS..  trans-63.1154.9178.9-56179.1000111P883 F887 L890 Y946 A949 A950 R1212P883-L885 VanDerWaalsContact C-N 3.32Å; P883-L885 HydrophobicContact CB-CD2 4.05Å; P883-L885 HydrophobicContact CB-CG 4.23Å; P883-L885 HydrophobicContact CG-CD1 4.43Å; P883-L885 HydrophobicContact CG-CD2 4.25Å; P883-L885 HydrophobicContact CG-CG 4.13Å; P883-L885 PolarHBondContact O-N 3.4Å; P883-L885 VanDerWaalsContact O-N 3.1Å; L885-F887 HydrophobicContact CB-CD2 4.46Å; L885-F887 HydrophobicContact CB-CE1 4.29Å; L885-F887 HydrophobicContact CB-CE2 4.02Å; L885-F887 HydrophobicContact CB-CZ 3.93Å; L885-F887 HydrophobicContact CD1-CZ 4.24Å; L885-F887 HydrophobicContact CG-CZ 4.45Å; L885-F887 WeakPolarHBondContact O-CD2 3.31Å; L885-F887 PolarHBondContact O-N 2.92Å; L885-L890 HydrophobicContact CB-CD1 4.38Å; L885-Y946 HydrophobicContact CD1-CD1 4.46Å; L885-A949 HydrophobicContact CD1-CB 3.4Å; L885-A950 HydrophobicContact CD1-CB 4.49Å; L885-R1212 HydrophobicContact CD2-CG 3.91Å
886D89.1Confident73.4Confident35 Ų3572.3 Ų72.319%0.18741%0.413CS..  trans-75.270.1-178.6-167.9-4000111.7D888 R889 L890 R1211D886-D888 PolarHBondContact O-N 3.44Å; D886-R889 HydrophobicContact CB-CB 4.1Å; D886-R889 WeakPolarHBondContact O-CB 3.45Å; D886-R889 PolarHBondContact O-N 2.84Å; D886-R889 VanDerWaalsContact O-N 3.12Å; D886-R889 PolarHBondContact OD1-N 3.47Å; D886-R889 VanDerWaalsContact OD1-N 3.15Å; D886-R889 VanDerWaalsContact OD2-CB 3.28Å; D886-R889 WeakPolarHBondContact OD2-CB 3.38Å; D886-L890 VanDerWaalsContact O-CG 3.28Å; D886-L890 WeakPolarHBondContact O-CG 3.42Å; D886-L890 PolarHBondContact O-N 2.64Å; D886-R1211 IonicContact OD2-CZ 3.42Å; D886-R1211 IonicContact OD2-NH2 3.47Å
887F89.5Confident76.6Confident42 Ų4273.1 Ų73.118%0.18441%0.407CS..Hα-helixtrans-65.4-26.3-178.7-67.6-63.3000112.9L885 R889 L890 L891 F945 Y946 A949L885-F887 HydrophobicContact CB-CD2 4.46Å; L885-F887 HydrophobicContact CB-CE1 4.29Å; L885-F887 HydrophobicContact CB-CE2 4.02Å; L885-F887 HydrophobicContact CB-CZ 3.93Å; L885-F887 HydrophobicContact CD1-CZ 4.24Å; L885-F887 HydrophobicContact CG-CZ 4.45Å; L885-F887 WeakPolarHBondContact O-CD2 3.31Å; L885-F887 PolarHBondContact O-N 2.92Å; F887-R889 VanDerWaalsContact C-N 3.31Å; F887-R889 PolarHBondContact O-N 3.41Å; F887-L890 HydrophobicContact CD1-CD1 4.22Å; F887-L890 HydrophobicContact CE1-CD1 4.43Å; F887-L890 PolarHBondContact O-N 3.21Å; F887-L891 HydrophobicContact CB-CD1 4.11Å; F887-L891 HydrophobicContact CB-CG 4.46Å; F887-L891 VanDerWaalsContact O-CB 3.23Å; F887-L891 WeakPolarHBondContact O-CB 3.44Å; F887-L891 WeakPolarHBondContact O-CG 3.28Å; F887-L891 PolarHBondContact O-N 3.41Å; F887-F945 AromaticContact CD1-CE1 3.91Å; F887-F945 HydrophobicContact CD1-CE1 3.91Å; F887-F945 AromaticContact CD1-CZ 3.67Å; F887-F945 HydrophobicContact CD1-CZ 3.67Å; F887-F945 HydrophobicContact CE1-CD1 4.28Å; F887-F945 AromaticContact CE1-CE1 3.24Å; F887-F945 HydrophobicContact CE1-CE1 3.24Å; F887-F945 HydrophobicContact CE1-CE2 4.47Å; F887-F945 AromaticContact CE1-CZ 3.36Å; F887-F945 HydrophobicContact CE1-CZ 3.36Å; F887-F945 HydrophobicContact CZ-CD1 4.44Å; F887-F945 AromaticContact CZ-CE1 3.61Å; F887-F945 HydrophobicContact CZ-CE1 3.61Å; F887-F945 HydrophobicContact CZ-CZ 4.21Å; F887-Y946 AromaticContact CE2-CE1 3.77Å; F887-Y946 HydrophobicContact CE2-CE1 3.77Å; F887-Y946 AromaticContact CE2-CZ 3.85Å; F887-Y946 HydrophobicContact CZ-CD1 4.08Å; F887-Y946 AromaticContact CZ-CE1 3.63Å; F887-Y946 HydrophobicContact CZ-CE1 3.63Å; F887-Y946 HydrophobicContact CZ-CE2 4.44Å; F887-Y946 AromaticContact CZ-CZ 3.85Å; F887-A949 HydrophobicContact CE1-CB 3.89Å; F887-A949 HydrophobicContact CZ-CB 4.41Å
888D86.4Confident79.7Confident145 Ų14568 Ų6878%0.77539%0.39SS*.Hα-helixtrans-59.2-44.9171-69.6-26000110.2D886 D892D886-D888 PolarHBondContact O-N 3.44Å; D888-D892 VanDerWaalsContact O-CB 3.27Å; D888-D892 WeakPolarHBondContact O-CB 3.48Å; D888-D892 PolarHBondContact O-N 2.92Å
889R90.9Very high82.6Confident23 Ų2365.9 Ų65.99%0.08738%0.375CS..Hα-helixtrans-70.4-46.6173.6-176.9-172.990.8101.1-2.6112.9D886 F887 L891 I899 P953 D955D886-R889 HydrophobicContact CB-CB 4.1Å; D886-R889 WeakPolarHBondContact O-CB 3.45Å; D886-R889 PolarHBondContact O-N 2.84Å; D886-R889 VanDerWaalsContact O-N 3.12Å; D886-R889 PolarHBondContact OD1-N 3.47Å; D886-R889 VanDerWaalsContact OD1-N 3.15Å; D886-R889 VanDerWaalsContact OD2-CB 3.28Å; D886-R889 WeakPolarHBondContact OD2-CB 3.38Å; F887-R889 VanDerWaalsContact C-N 3.31Å; F887-R889 PolarHBondContact O-N 3.41Å; R889-L891 PolarHBondContact O-N 3.27Å; R889-I899 HydrophobicContact CG-CD1 4.39Å; R889-I899 WeakPolarHBondContact O-CD1 3.48Å; R889-P953 PolarHBondContact NH2-O 2.95Å; R889-D955 IonicContact CZ-OD1 3.51Å; R889-D955 VanDerWaalsContact NH1-CG 3.32Å; R889-D955 IonicContact NH1-OD1 2.69Å; R889-D955 PolarHBondContact NH1-OD1 3.39Å; R889-D955 IonicContact NH1-OD2 3.29Å; R889-D955 PolarHBondContact NH1-OD2 3.39Å
890L91.3Very high85.2Confident7 Ų767.9 Ų67.94%0.03737%0.368CS..Hα-helixtrans-69.5-32.3-171.8-66.7173.9000112.6L885 D886 F887 I912 L915 K916 A949 I952L885-L890 HydrophobicContact CB-CD1 4.38Å; D886-L890 VanDerWaalsContact O-CG 3.28Å; D886-L890 WeakPolarHBondContact O-CG 3.42Å; D886-L890 PolarHBondContact O-N 2.64Å; F887-L890 HydrophobicContact CD1-CD1 4.22Å; F887-L890 HydrophobicContact CE1-CD1 4.43Å; F887-L890 PolarHBondContact O-N 3.21Å; L890-I912 HydrophobicContact CD2-CD1 4.48Å; L890-I912 WeakPolarHBondContact O-CD1 3.36Å; L890-L915 HydrophobicContact CB-CD2 4.12Å; L890-L915 HydrophobicContact CD1-CD2 4.21Å; L890-K916 WeakPolarHBondContact O-CE 3.48Å; L890-A949 HydrophobicContact CD1-CB 4.26Å; L890-I952 HydrophobicContact CD2-CB 4Å; L890-I952 HydrophobicContact CD2-CG1 4.15Å; L890-I952 HydrophobicContact CD2-CG2 3.67Å
891L90.2Very high87.5Confident33 Ų3361.5 Ų61.517%0.17335%0.346CS..Hα-helixtrans-96.2-15.9-177-58.2176.6000113.2F887 R889 P893 K916 W919 F945F887-L891 HydrophobicContact CB-CD1 4.11Å; F887-L891 HydrophobicContact CB-CG 4.46Å; F887-L891 VanDerWaalsContact O-CB 3.23Å; F887-L891 WeakPolarHBondContact O-CB 3.44Å; F887-L891 WeakPolarHBondContact O-CG 3.28Å; F887-L891 PolarHBondContact O-N 3.41Å; R889-L891 PolarHBondContact O-N 3.27Å; L891-P893 VanDerWaalsContact O-CD 3.25Å; L891-P893 WeakPolarHBondContact O-CD 3.46Å; L891-P893 VanDerWaalsContact O-N 3.15Å; L891-K916 PolarHBondContact O-NZ 3.15Å; L891-W919 HydrophobicContact CD1-CD2 3.52Å; L891-W919 HydrophobicContact CD1-CE3 3.95Å; L891-W919 HydrophobicContact CD1-CG 3.84Å; L891-W919 HydrophobicContact CD1-CH2 4.35Å; L891-W919 HydrophobicContact CD1-CZ2 3.97Å; L891-W919 HydrophobicContact CD1-CZ3 4.34Å; L891-W919 HydrophobicContact CD2-CB 3.73Å; L891-W919 HydrophobicContact CD2-CD2 4.18Å; L891-W919 HydrophobicContact CD2-CG 3.63Å; L891-W919 HydrophobicContact CG-CD2 4.5Å; L891-W919 HydrophobicContact CG-CG 4.36Å; L891-F945 HydrophobicContact CD2-CE2 4.38Å; L891-F945 HydrophobicContact CD2-CZ 4.41Å
892D88.9Confident89.4Confident51 Ų5159.1 Ų59.127%0.27332%0.318SS..  trans-54.8116.1175.8-177.7-2.9000111.3D888 A894 R895 K916D888-D892 VanDerWaalsContact O-CB 3.27Å; D888-D892 WeakPolarHBondContact O-CB 3.48Å; D888-D892 PolarHBondContact O-N 2.92Å; D892-A894 PolarHBondContact O-N 3.35Å; D892-A894 WeakPolarHBondContact OD1-CB 3.46Å; D892-A894 PolarHBondContact OD1-N 2.93Å; D892-R895 HydrophobicContact CB-CB 4.33Å; D892-R895 HydrophobicContact CB-CG 4.21Å; D892-R895 PolarHBondContact O-N 2.9Å; D892-R895 WeakPolarHBondContact OD2-CG 3.43Å; D892-R895 IonicContact OD2-NE 2.9Å; D892-R895 PolarHBondContact OD2-NE 2.9Å; D892-K916 VanDerWaalsContact C-NZ 3.33Å; D892-K916 PolarHBondContact O-NZ 3.46Å
893P87.2Confident90.4Very high107 Ų10755.2 Ų55.270%0.69530%0.304SS*.G310 helixtrans-56.6-35.4177-25.935.8000113.2L891 R895 T896L891-P893 VanDerWaalsContact O-CD 3.25Å; L891-P893 WeakPolarHBondContact O-CD 3.46Å; L891-P893 VanDerWaalsContact O-N 3.15Å; P893-R895 PolarHBondContact O-N 2.99Å; P893-T896 PolarHBondContact O-N 3.39Å; P893-T896 PolarHBondContact O-OG1 3.31Å
894A90.6Very high90.9Very high88 Ų8857 Ų5773%0.72732%0.322SS*.G310 helixtrans-68.7-20.9-17700000113.1D892D892-A894 PolarHBondContact O-N 3.35Å; D892-A894 WeakPolarHBondContact OD1-CB 3.46Å; D892-A894 PolarHBondContact OD1-N 2.93Å
895R89.2Confident91.1Very high123 Ų12355.8 Ų55.846%0.46432%0.318SS..G310 helixtrans-98.8-8.4-178.1-64.6-177.9-170.7-154.4-1.8114.1D892 P893 E897 A898 I899D892-R895 HydrophobicContact CB-CB 4.33Å; D892-R895 HydrophobicContact CB-CG 4.21Å; D892-R895 PolarHBondContact O-N 2.9Å; D892-R895 WeakPolarHBondContact OD2-CG 3.43Å; D892-R895 IonicContact OD2-NE 2.9Å; D892-R895 PolarHBondContact OD2-NE 2.9Å; P893-R895 PolarHBondContact O-N 2.99Å; R895-E897 VanDerWaalsContact C-N 3.34Å; R895-E897 PolarHBondContact O-N 3.28Å; R895-A898 PolarHBondContact O-N 3.38Å; R895-A898 VanDerWaalsContact O-N 3.14Å; R895-I899 HydrophobicContact CB-CD1 4.08Å; R895-I899 HydrophobicContact CB-CG1 4.46Å; R895-I899 WeakPolarHBondContact O-CG1 3.37Å; R895-I899 PolarHBondContact O-N 3.09Å
896T91.4Very high91.2Very high19 Ų1955.4 Ų55.412%0.11732%0.316CS..Hα-helixtrans-52.7-48.8-174-40.80000112.6P893 I899 R900 I912 K916P893-T896 PolarHBondContact O-N 3.39Å; P893-T896 PolarHBondContact O-OG1 3.31Å; T896-I899 PolarHBondContact O-N 3.29Å; T896-R900 WeakPolarHBondContact O-CB 3.32Å; T896-R900 PolarHBondContact O-N 2.84Å; T896-I912 HydrophobicContact CG2-CG1 4.25Å; T896-I912 HydrophobicContact CG2-CG2 4.35Å; T896-K916 HydrophobicContact CG2-CD 4.16Å; T896-K916 PolarHBondContact OG1-NZ 2.86Å
897E91.9Very high91.2Very high111 Ų11160.3 Ų60.352%0.51934%0.335SS..Hα-helixtrans-67-39.7-177.6-166.259.7-124.900112.2R895 R900 S901R895-E897 VanDerWaalsContact C-N 3.34Å; R895-E897 PolarHBondContact O-N 3.28Å; E897-R900 PolarHBondContact O-N 3.05Å; E897-R900 IonicContact OE1-NH1 3.77Å; E897-R900 PolarHBondContact OE1-NH1 3.3Å; E897-R900 IonicContact OE2-CZ 3.57Å; E897-R900 IonicContact OE2-NH1 3.79Å; E897-R900 PolarHBondContact OE2-NH1 3.08Å; E897-S901 VanDerWaalsContact O-CB 3.29Å; E897-S901 WeakPolarHBondContact O-CB 3.34Å; E897-S901 PolarHBondContact O-N 2.99Å; E897-S901 PolarHBondContact O-OG 3.38Å
898A92.2Very high91.1Very high66 Ų6660.9 Ų60.955%0.54534%0.339SS..Hα-helixtrans-64.6-42.9177.300000111.1R895 S901 N902R895-A898 PolarHBondContact O-N 3.38Å; R895-A898 VanDerWaalsContact O-N 3.14Å; A898-S901 PolarHBondContact O-N 3.08Å; A898-N902 VanDerWaalsContact O-CB 3.3Å; A898-N902 WeakPolarHBondContact O-CB 3.5Å; A898-N902 PolarHBondContact O-N 3.13Å
899I93.5Very high91.2Very high3 Ų358 Ų582%0.01533%0.326CS..Hα-helixtrans-65.3-45.5176.4-64.1167.4000110.5R889 R895 T896 S901 N902 I903 I912 I952R889-I899 HydrophobicContact CG-CD1 4.39Å; R889-I899 WeakPolarHBondContact O-CD1 3.48Å; R895-I899 HydrophobicContact CB-CD1 4.08Å; R895-I899 HydrophobicContact CB-CG1 4.46Å; R895-I899 WeakPolarHBondContact O-CG1 3.37Å; R895-I899 PolarHBondContact O-N 3.09Å; T896-I899 PolarHBondContact O-N 3.29Å; I899-S901 VanDerWaalsContact C-N 3.33Å; I899-S901 PolarHBondContact O-N 3.19Å; I899-N902 PolarHBondContact O-N 3.21Å; I899-I903 HydrophobicContact CG2-CD1 3.84Å; I899-I903 HydrophobicContact CG2-CG1 4.46Å; I899-I903 WeakPolarHBondContact O-CD1 3.34Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.46Å; I899-I903 PolarHBondContact O-N 2.94Å; I899-I912 HydrophobicContact CB-CG1 4.27Å; I899-I912 HydrophobicContact CD1-CD1 4.3Å; I899-I912 HydrophobicContact CG2-CB 4.06Å; I899-I912 HydrophobicContact CG2-CD1 3.94Å; I899-I912 HydrophobicContact CG2-CG1 3.87Å; I899-I952 HydrophobicContact CG2-CG2 3.86Å
900R94.8Very high91.1Very high87 Ų8757.2 Ų57.233%0.32833%0.325SS..Hα-helixtrans-58.5-46.6177.2-165.2-172.8-61.7122.11.7111.2T896 E897 I903 A904 I912 D913T896-R900 WeakPolarHBondContact O-CB 3.32Å; T896-R900 PolarHBondContact O-N 2.84Å; E897-R900 PolarHBondContact O-N 3.05Å; E897-R900 IonicContact OE1-NH1 3.77Å; E897-R900 PolarHBondContact OE1-NH1 3.3Å; E897-R900 IonicContact OE2-CZ 3.57Å; E897-R900 IonicContact OE2-NH1 3.79Å; E897-R900 PolarHBondContact OE2-NH1 3.08Å; R900-I903 PolarHBondContact O-N 3.24Å; R900-A904 PolarHBondContact O-N 2.91Å; R900-A904 VanDerWaalsContact O-N 3.15Å; R900-I912 HydrophobicContact CB-CG2 3.89Å; R900-I912 HydrophobicContact CG-CG2 4.24Å; R900-D913 IonicContact CZ-OD1 2.76Å; R900-D913 IonicContact CZ-OD2 3.45Å; R900-D913 IonicContact NE-OD1 2.89Å; R900-D913 IonicContact NE-OD2 3.64Å; R900-D913 PolarHBondContact NE-OD2 2.99Å; R900-D913 IonicContact NH2-OD1 3.67Å; R900-D913 PolarHBondContact NH2-OD1 3.38Å; R900-D913 IonicContact NH2-OD2 2.89Å; R900-D913 PolarHBondContact NH2-OD2 3.19Å
901S93.3Very high91.1Very high63 Ų6360.3 Ų60.344%0.44134%0.342SS..Hα-helixtrans-62.4-43.1177.1-62.80000111.7E897 A898 I899 A904 L905E897-S901 VanDerWaalsContact O-CB 3.29Å; E897-S901 WeakPolarHBondContact O-CB 3.34Å; E897-S901 PolarHBondContact O-N 2.99Å; E897-S901 PolarHBondContact O-OG 3.38Å; A898-S901 PolarHBondContact O-N 3.08Å; I899-S901 VanDerWaalsContact C-N 3.33Å; I899-S901 PolarHBondContact O-N 3.19Å; S901-A904 PolarHBondContact O-N 3.41Å; S901-L905 WeakPolarHBondContact O-CB 3.17Å; S901-L905 PolarHBondContact O-N 3.39Å
902N94.7Very high91.3Very high14 Ų1458.8 Ų58.88%0.07533%0.334CS..Hα-helixtrans-64.5-39.1178.3-176.764.8000112.7A898 I899 L905 R906 N954 T956A898-N902 VanDerWaalsContact O-CB 3.3Å; A898-N902 WeakPolarHBondContact O-CB 3.5Å; A898-N902 PolarHBondContact O-N 3.13Å; I899-N902 PolarHBondContact O-N 3.21Å; N902-L905 PolarHBondContact O-N 3.01Å; N902-R906 WeakPolarHBondContact O-CB 3.1Å; N902-R906 VanDerWaalsContact O-CG 3.26Å; N902-R906 WeakPolarHBondContact O-CG 3.49Å; N902-R906 PolarHBondContact O-N 3.35Å; N902-R906 VanDerWaalsContact O-N 3.08Å; N902-N954 PolarHBondContact ND2-O 2.65Å; N902-T956 WeakPolarHBondContact OD1-CB 3.46Å; N902-T956 PolarHBondContact OD1-OG1 2.98Å
903I93.4Very high91.4Very high13 Ų1359.3 Ų59.37%0.06734%0.336CS..Hα-helixtrans-60.6-49.4174.7-70.2160.9000110.6I899 R900 R906 K907 Q908 G910 I912 I952 P953I899-I903 HydrophobicContact CG2-CD1 3.84Å; I899-I903 HydrophobicContact CG2-CG1 4.46Å; I899-I903 WeakPolarHBondContact O-CD1 3.34Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.46Å; I899-I903 PolarHBondContact O-N 2.94Å; R900-I903 PolarHBondContact O-N 3.24Å; I903-R906 PolarHBondContact O-N 3.04Å; I903-K907 PolarHBondContact O-N 3.37Å; I903-Q908 HydrophobicContact CG2-CB 4.47Å; I903-Q908 WeakPolarHBondContact CG2-O 3.49Å; I903-Q908 PolarHBondContact O-N 3.3Å; I903-G910 VanDerWaalsContact CG2-O 3.27Å; I903-G910 WeakPolarHBondContact CG2-O 3.36Å; I903-I912 HydrophobicContact CD1-CB 4.25Å; I903-I952 HydrophobicContact CD1-CD1 3.67Å; I903-I952 HydrophobicContact CD1-CG2 4.38Å; I903-P953 HydrophobicContact CG1-CG 4.08Å
904A92.7Very high91.7Very high73 Ų7356.6 Ų56.660%0.60332%0.316SS*.Hα-helixtrans-63.3-43.8179.500000111.6R900 S901 R906 K907R900-A904 PolarHBondContact O-N 2.91Å; R900-A904 VanDerWaalsContact O-N 3.15Å; S901-A904 PolarHBondContact O-N 3.41Å; A904-R906 VanDerWaalsContact C-N 3.26Å; A904-R906 PolarHBondContact O-N 2.94Å; A904-K907 PolarHBondContact O-N 2.8Å; A904-K907 VanDerWaalsContact O-N 3.13Å
905L92.4Very high91.8Very high60 Ų6052.4 Ų52.431%0.31428%0.281SS..Hα-helixtrans-60.1-32.5178.3179.769.5000113.3S901 N902 L962 S1173S901-L905 WeakPolarHBondContact O-CB 3.17Å; S901-L905 PolarHBondContact O-N 3.39Å; N902-L905 PolarHBondContact O-N 3.01Å; L905-L962 HydrophobicContact CD1-CB 4.27Å; L905-L962 HydrophobicContact CD1-CD1 4.5Å; L905-L962 HydrophobicContact CD1-CD2 4.02Å; L905-L962 HydrophobicContact CD1-CG 4.49Å; L905-L962 HydrophobicContact CD2-CD2 3.92Å; L905-L962 HydrophobicContact CG-CD2 4.43Å; L905-S1173 PolarHBondContact O-OG 3.18Å
906R91.8Very high91.9Very high0 Ų048.1 Ų48.10%027%0.266CS..THydrogen-bonded Turntrans-963179.5-61.8174.175128.5-2.3113.5N902 I903 A904 Q908 N954 D955 T956 S1173 L1176 G1177 A1180N902-R906 WeakPolarHBondContact O-CB 3.1Å; N902-R906 VanDerWaalsContact O-CG 3.26Å; N902-R906 WeakPolarHBondContact O-CG 3.49Å; N902-R906 PolarHBondContact O-N 3.35Å; N902-R906 VanDerWaalsContact O-N 3.08Å; I903-R906 PolarHBondContact O-N 3.04Å; A904-R906 VanDerWaalsContact C-N 3.26Å; A904-R906 PolarHBondContact O-N 2.94Å; R906-Q908 HydrophobicContact CB-CG 3.7Å; R906-Q908 PolarHBondContact O-N 3.5Å; R906-Q908 PolarHBondContact O-NE2 3.25Å; R906-N954 PolarHBondContact NH1-O 3.16Å; R906-D955 PolarHBondContact NH1-O 3.07Å; R906-T956 WeakPolarHBondContact CD-OG1 3.37Å; R906-T956 PolarHBondContact NH1-OG1 2.97Å; R906-S1173 WeakPolarHBondContact CG-O 3.02Å; R906-L1176 VanDerWaalsContact NH2-CB 3.31Å; R906-G1177 VanDerWaalsContact CZ-O 3.32Å; R906-G1177 PolarHBondContact NE-O 3.2Å; R906-G1177 VanDerWaalsContact NE-O 3.14Å; R906-G1177 PolarHBondContact NH2-O 2.85Å; R906-A1180 VanDerWaalsContact CZ-O 3.32Å; R906-A1180 PolarHBondContact NH1-O 3.07Å; R906-A1180 PolarHBondContact NH2-O 2.98Å
907K89.7Confident92Very high139 Ų13953.2 Ų53.260%0.60429%0.288SS*.THydrogen-bonded Turntrans47.740.5-171.5-68.5-177.7176.9154.70113.6I903 A904 E1174I903-K907 PolarHBondContact O-N 3.37Å; A904-K907 PolarHBondContact O-N 2.8Å; A904-K907 VanDerWaalsContact O-N 3.13Å; K907-E1174 HydrophobicContact CD-CG 4.14Å; K907-E1174 WeakPolarHBondContact CD-OE2 3.48Å; K907-E1174 WeakPolarHBondContact CE-OE1 3.48Å; K907-E1174 VanDerWaalsContact CE-OE2 3.29Å; K907-E1174 WeakPolarHBondContact CE-OE2 3.34Å; K907-E1174 HydrophobicContact CG-CG 4.14Å; K907-E1174 IonicContact NZ-OE1 3.18Å; K907-E1174 PolarHBondContact NZ-OE1 2.91Å; K907-E1174 IonicContact NZ-OE2 3.38Å; K907-E1174 PolarHBondContact NZ-OE2 3.5Å
908Q87.6Confident92Very high54 Ų5448.8 Ų48.825%0.25227%0.268SS..  trans-91.6160.5178.9-62.5-60.1-5200111.5I903 R906 P953I903-Q908 HydrophobicContact CG2-CB 4.47Å; I903-Q908 WeakPolarHBondContact CG2-O 3.49Å; I903-Q908 PolarHBondContact O-N 3.3Å; R906-Q908 HydrophobicContact CB-CG 3.7Å; R906-Q908 PolarHBondContact O-N 3.5Å; R906-Q908 PolarHBondContact O-NE2 3.25Å; Q908-P953 HydrophobicContact CB-CB 4.4Å; Q908-P953 HydrophobicContact CB-CG 3.99Å; Q908-P953 HydrophobicContact CG-CB 3.94Å; Q908-P953 HydrophobicContact CG-CG 3.94Å
909V87.9Confident92Very high84 Ų8449.7 Ų49.751%0.50926%0.258SS..  trans-92.1-7.8-171.2-60.30000115.1L951 T1058V909-L951 HydrophobicContact CG2-CD1 4.48Å; V909-L951 HydrophobicContact CG2-CD2 4.14Å; V909-T1058 HydrophobicContact CG2-CG2 3.85Å
910G87.9Confident91.8Very high7 Ų754.7 Ų54.77%0.07228%0.284CS..  trans-61.8146.5-177.400000112.7I903I903-G910 VanDerWaalsContact CG2-O 3.27Å; I903-G910 WeakPolarHBondContact CG2-O 3.36Å
911N92.3Very high91.5Very high71 Ų7154.3 Ų54.338%0.3829%0.285SS..  trans-123.7102.3179.9-173.9-23.7000110.8D913 L914 L915N911-D913 VanDerWaalsContact C-N 3.32Å; N911-D913 PolarHBondContact O-N 3.21Å; N911-D913 PolarHBondContact OD1-N 3.37Å; N911-D913 VanDerWaalsContact OD1-N 3.09Å; N911-L914 HydrophobicContact CB-CB 3.96Å; N911-L914 PolarHBondContact OD1-N 3.31Å; N911-L915 PolarHBondContact O-N 3.45Å; N911-L915 VanDerWaalsContact O-N 3.08Å
912I93.2Very high91.3Very high2 Ų251.3 Ų51.31%0.0127%0.265CS..Hα-helixtrans-68.3-31.2-177.7-168.357.6000112.7L890 T896 I899 R900 I903 L915 K916 I952L890-I912 HydrophobicContact CD2-CD1 4.48Å; L890-I912 WeakPolarHBondContact O-CD1 3.36Å; T896-I912 HydrophobicContact CG2-CG1 4.25Å; T896-I912 HydrophobicContact CG2-CG2 4.35Å; I899-I912 HydrophobicContact CB-CG1 4.27Å; I899-I912 HydrophobicContact CD1-CD1 4.3Å; I899-I912 HydrophobicContact CG2-CB 4.06Å; I899-I912 HydrophobicContact CG2-CD1 3.94Å; I899-I912 HydrophobicContact CG2-CG1 3.87Å; R900-I912 HydrophobicContact CB-CG2 3.89Å; R900-I912 HydrophobicContact CG-CG2 4.24Å; I903-I912 HydrophobicContact CD1-CB 4.25Å; I912-L915 HydrophobicContact CD1-CD2 4.1Å; I912-L915 PolarHBondContact O-N 3.18Å; I912-K916 WeakPolarHBondContact O-CG 3.33Å; I912-K916 PolarHBondContact O-N 3.05Å; I912-K916 VanDerWaalsContact O-N 3.12Å; I912-I952 HydrophobicContact CB-CD1 4.39Å
913D92.9Very high90.9Very high61 Ų6152.7 Ų52.733%0.32628%0.276SS..Hα-helixtrans-72.7-43.2-179.3-63.5-56.8000110.6R900 N911 K916 Q917R900-D913 IonicContact CZ-OD1 2.76Å; R900-D913 IonicContact CZ-OD2 3.45Å; R900-D913 IonicContact NE-OD1 2.89Å; R900-D913 IonicContact NE-OD2 3.64Å; R900-D913 PolarHBondContact NE-OD2 2.99Å; R900-D913 IonicContact NH2-OD1 3.67Å; R900-D913 PolarHBondContact NH2-OD1 3.38Å; R900-D913 IonicContact NH2-OD2 2.89Å; R900-D913 PolarHBondContact NH2-OD2 3.19Å; N911-D913 VanDerWaalsContact C-N 3.32Å; N911-D913 PolarHBondContact O-N 3.21Å; N911-D913 PolarHBondContact OD1-N 3.37Å; N911-D913 VanDerWaalsContact OD1-N 3.09Å; D913-K916 PolarHBondContact O-N 3.27Å; D913-Q917 WeakPolarHBondContact O-CG 3.41Å; D913-Q917 PolarHBondContact O-N 3.04Å
914L92.9Very high90.7Very high50 Ų5054.4 Ų54.426%0.26229%0.285SS..Hα-helixtrans-60.8-44.3172.417859.8000111.3N911 K916 Q917 L918 Q948N911-L914 HydrophobicContact CB-CB 3.96Å; N911-L914 PolarHBondContact OD1-N 3.31Å; L914-K916 VanDerWaalsContact C-N 3.3Å; L914-K916 PolarHBondContact O-N 2.94Å; L914-Q917 WeakPolarHBondContact O-CB 2.9Å; L914-Q917 PolarHBondContact O-N 2.9Å; L914-Q917 VanDerWaalsContact O-N 3.17Å; L914-L918 HydrophobicContact CD1-CD1 4.41Å; L914-L918 HydrophobicContact CD1-CG 4.3Å; L914-L918 HydrophobicContact CG-CD1 4.19Å; L914-L918 WeakPolarHBondContact O-CG 3.46Å; L914-L918 PolarHBondContact O-N 2.99Å; L914-Q948 HydrophobicContact CD2-CG 4.02Å; L914-Q948 HydrophobicContact CG-CG 4.41Å
915L92.5Very high90.3Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-57.3-43.4178-177.865.6000112.1L890 N911 I912 L918 W919 F945 Q948 A949 I952L890-L915 HydrophobicContact CB-CD2 4.12Å; L890-L915 HydrophobicContact CD1-CD2 4.21Å; N911-L915 PolarHBondContact O-N 3.45Å; N911-L915 VanDerWaalsContact O-N 3.08Å; I912-L915 HydrophobicContact CD1-CD2 4.1Å; I912-L915 PolarHBondContact O-N 3.18Å; L915-L918 PolarHBondContact O-N 3.49Å; L915-W919 PolarHBondContact O-N 3.29Å; L915-F945 HydrophobicContact CD1-CD2 3.4Å; L915-F945 VanDerWaalsContact CD1-CD2 3.4Å; L915-F945 HydrophobicContact CD1-CE2 3.31Å; L915-F945 HydrophobicContact CD1-CG 4.26Å; L915-F945 HydrophobicContact CD1-CZ 4.14Å; L915-F945 VanDerWaalsContact CD1-O 3.32Å; L915-F945 WeakPolarHBondContact CD1-O 3.22Å; L915-F945 HydrophobicContact CG-CD2 4.35Å; L915-F945 HydrophobicContact CG-CE2 3.89Å; L915-Q948 HydrophobicContact CD1-CB 4.18Å; L915-A949 HydrophobicContact CD1-CB 3.69Å; L915-A949 HydrophobicContact CD2-CB 4.1Å; L915-I952 HydrophobicContact CD2-CG1 4.32Å
916K91.2Very high89.9Confident33 Ų3354.1 Ų54.114%0.14327%0.272CS..Hα-helixtrans-70.2-33.7178.1-71.5-167.7178.9-152.20112.9L890 L891 D892 T896 I912 D913 L914 W919 L920L890-K916 WeakPolarHBondContact O-CE 3.48Å; L891-K916 PolarHBondContact O-NZ 3.15Å; D892-K916 VanDerWaalsContact C-NZ 3.33Å; D892-K916 PolarHBondContact O-NZ 3.46Å; T896-K916 HydrophobicContact CG2-CD 4.16Å; T896-K916 PolarHBondContact OG1-NZ 2.86Å; I912-K916 WeakPolarHBondContact O-CG 3.33Å; I912-K916 PolarHBondContact O-N 3.05Å; I912-K916 VanDerWaalsContact O-N 3.12Å; D913-K916 PolarHBondContact O-N 3.27Å; L914-K916 VanDerWaalsContact C-N 3.3Å; L914-K916 PolarHBondContact O-N 2.94Å; K916-W919 PolarHBondContact O-N 3.16Å; K916-L920 WeakPolarHBondContact O-CB 3.19Å; K916-L920 WeakPolarHBondContact O-CG 3.14Å; K916-L920 PolarHBondContact O-N 2.99Å
917Q92.5Very high89.4Confident126 Ų12657.5 Ų57.559%0.58930%0.296SS*.Hα-helixtrans-62.8-45171.9-71.8171.71.700111.4D913 L914 W919 L920 H921D913-Q917 WeakPolarHBondContact O-CG 3.41Å; D913-Q917 PolarHBondContact O-N 3.04Å; L914-Q917 WeakPolarHBondContact O-CB 2.9Å; L914-Q917 PolarHBondContact O-N 2.9Å; L914-Q917 VanDerWaalsContact O-N 3.17Å; Q917-W919 VanDerWaalsContact C-N 3.35Å; Q917-W919 PolarHBondContact O-N 3.32Å; Q917-L920 PolarHBondContact O-N 3.21Å; Q917-H921 PolarHBondContact O-N 3.22Å
918L92.4Very high88.9Confident19 Ų1953.7 Ų53.710%0.09930%0.296CS..Hα-helixtrans-62.8-41.4175.8-66.2171000111.6L914 L915 H921 L922 L941 H944 F945 Q948L914-L918 HydrophobicContact CD1-CD1 4.41Å; L914-L918 HydrophobicContact CD1-CG 4.3Å; L914-L918 HydrophobicContact CG-CD1 4.19Å; L914-L918 WeakPolarHBondContact O-CG 3.46Å; L914-L918 PolarHBondContact O-N 2.99Å; L915-L918 PolarHBondContact O-N 3.49Å; L918-H921 PolarHBondContact O-N 3.2Å; L918-L922 PolarHBondContact O-N 2.8Å; L918-L941 HydrophobicContact CD2-CD1 3.79Å; L918-H944 VanDerWaalsContact CD1-CD2 3.4Å; L918-H944 WeakPolarHBondContact CD1-CD2 3.42Å; L918-F945 HydrophobicContact CB-CB 4.35Å; L918-F945 HydrophobicContact CB-CD2 4Å; L918-Q948 HydrophobicContact CD1-CB 4.25Å; L918-Q948 HydrophobicContact CD1-CG 3.82Å
919W92.4Very high88.6Confident85 Ų8558.4 Ų58.432%0.32232%0.316SS..Hα-helixtrans-63.3-43174.5178.7-107.8000112.9L891 L915 K916 Q917 H921 L922 S923 W942 F945L891-W919 HydrophobicContact CD1-CD2 3.52Å; L891-W919 HydrophobicContact CD1-CE3 3.95Å; L891-W919 HydrophobicContact CD1-CG 3.84Å; L891-W919 HydrophobicContact CD1-CH2 4.35Å; L891-W919 HydrophobicContact CD1-CZ2 3.97Å; L891-W919 HydrophobicContact CD1-CZ3 4.34Å; L891-W919 HydrophobicContact CD2-CB 3.73Å; L891-W919 HydrophobicContact CD2-CD2 4.18Å; L891-W919 HydrophobicContact CD2-CG 3.63Å; L891-W919 HydrophobicContact CG-CD2 4.5Å; L891-W919 HydrophobicContact CG-CG 4.36Å; L915-W919 PolarHBondContact O-N 3.29Å; K916-W919 PolarHBondContact O-N 3.16Å; Q917-W919 VanDerWaalsContact C-N 3.35Å; Q917-W919 PolarHBondContact O-N 3.32Å; W919-H921 VanDerWaalsContact C-N 3.28Å; W919-H921 PolarHBondContact O-N 3.46Å; W919-L922 PolarHBondContact O-N 2.94Å; W919-S923 VanDerWaalsContact O-CB 3.22Å; W919-S923 WeakPolarHBondContact O-CB 3.33Å; W919-S923 PolarHBondContact O-N 3.27Å; W919-W942 HydrophobicContact CZ3-CH2 4.12Å; W919-W942 HydrophobicContact CZ3-CZ3 4.46Å; W919-F945 HydrophobicContact CB-CD2 4.39Å; W919-F945 HydrophobicContact CB-CE2 3.75Å; W919-F945 HydrophobicContact CB-CZ 4.41Å; W919-F945 HydrophobicContact CD2-CZ 4.43Å; W919-F945 HydrophobicContact CE3-CE1 4.12Å; W919-F945 HydrophobicContact CE3-CE2 4.1Å; W919-F945 AromaticContact CE3-CZ 3.69Å; W919-F945 HydrophobicContact CE3-CZ 3.69Å; W919-F945 HydrophobicContact CZ3-CE1 4.49Å; W919-F945 HydrophobicContact CZ3-CZ 4.41Å
920L90.3Very high88.3Confident107 Ų10757.4 Ų57.456%0.5631%0.309SS*.Hα-helixtrans-58.2-44.6175.7-80.5162.3000110.7K916 Q917 S923 D924K916-L920 WeakPolarHBondContact O-CB 3.19Å; K916-L920 WeakPolarHBondContact O-CG 3.14Å; K916-L920 PolarHBondContact O-N 2.99Å; Q917-L920 PolarHBondContact O-N 3.21Å; L920-S923 PolarHBondContact O-N 2.83Å; L920-D924 PolarHBondContact O-N 3.34Å
921H88.3Confident87.8Confident79 Ų7965.9 Ų65.937%0.36634%0.344SS..Hα-helixtrans-62.7-47.2177-166.7-172.1000111.9Q917 L918 W919 S923 D924 I925 L941Q917-H921 PolarHBondContact O-N 3.22Å; L918-H921 PolarHBondContact O-N 3.2Å; W919-H921 VanDerWaalsContact C-N 3.28Å; W919-H921 PolarHBondContact O-N 3.46Å; H921-S923 VanDerWaalsContact C-N 3.35Å; H921-S923 PolarHBondContact O-N 3.29Å; H921-D924 PolarHBondContact O-N 3.42Å; H921-I925 WeakPolarHBondContact O-CG1 3.46Å; H921-I925 PolarHBondContact O-N 3.37Å; H921-I925 VanDerWaalsContact O-N 3.15Å; H921-L941 HydrophobicContact CB-CD2 4.31Å
922L87.9Confident87.2Confident0 Ų064.8 Ų64.80%034%0.341CS..Hα-helixtrans-60.8-41.9174.6-78.6166.3000112.1L918 W919 I925 I926 L938 L941 W942 F945L918-L922 PolarHBondContact O-N 2.8Å; W919-L922 PolarHBondContact O-N 2.94Å; L922-I925 PolarHBondContact O-N 3.44Å; L922-I926 WeakPolarHBondContact O-CB 3.48Å; L922-I926 WeakPolarHBondContact O-CD1 3.45Å; L922-I926 WeakPolarHBondContact O-CG1 3.25Å; L922-I926 PolarHBondContact O-N 2.85Å; L922-L938 HydrophobicContact CD2-CD1 4.1Å; L922-L941 HydrophobicContact CD1-CG 4.46Å; L922-L941 HydrophobicContact CD2-CB 4.28Å; L922-L941 HydrophobicContact CD2-CD2 3.64Å; L922-L941 HydrophobicContact CD2-CG 3.77Å; L922-L941 HydrophobicContact CG-CD2 3.76Å; L922-L941 HydrophobicContact CG-CG 3.81Å; L922-W942 HydrophobicContact CD1-CD2 4.01Å; L922-W942 HydrophobicContact CD1-CE3 3.81Å; L922-W942 HydrophobicContact CD1-CZ3 4.13Å; L922-W942 HydrophobicContact CD2-CD2 3.83Å; L922-W942 HydrophobicContact CD2-CE3 4.47Å; L922-W942 HydrophobicContact CD2-CG 3.84Å; L922-W942 HydrophobicContact CD2-CZ2 4.48Å; L922-F945 HydrophobicContact CD1-CB 3.61Å; L922-F945 HydrophobicContact CD1-CD1 4.04Å; L922-F945 HydrophobicContact CD1-CD2 4.21Å; L922-F945 HydrophobicContact CD1-CG 3.68Å
923S87.4Confident86.6Confident44 Ų4471.7 Ų71.731%0.30838%0.378SS..Hα-helixtrans-66.6-37.4179.9-176.40000112.1W919 L920 H921 I925 I926 S927W919-S923 VanDerWaalsContact O-CB 3.22Å; W919-S923 WeakPolarHBondContact O-CB 3.33Å; W919-S923 PolarHBondContact O-N 3.27Å; L920-S923 PolarHBondContact O-N 2.83Å; H921-S923 VanDerWaalsContact C-N 3.35Å; H921-S923 PolarHBondContact O-N 3.29Å; S923-I925 VanDerWaalsContact C-N 3.3Å; S923-I926 PolarHBondContact O-N 2.86Å; S923-S927 VanDerWaalsContact O-CB 3.27Å; S923-S927 WeakPolarHBondContact O-CB 3.47Å; S923-S927 PolarHBondContact O-N 2.91Å; S923-S927 PolarHBondContact O-OG 3.27Å
924D88.2Confident86.2Confident49 Ų4971.1 Ų71.126%0.26238%0.379SS..Hα-helixtrans-68.2-32.6175.1-78-19.9000111.5L920 H921 S927 G928 K929 V930L920-D924 PolarHBondContact O-N 3.34Å; H921-D924 PolarHBondContact O-N 3.42Å; D924-S927 PolarHBondContact O-OG 3.36Å; D924-G928 PolarHBondContact O-N 3.23Å; D924-K929 HydrophobicContact CB-CB 4.41Å; D924-K929 HydrophobicContact CB-CD 4.46Å; D924-K929 WeakPolarHBondContact O-CB 3.32Å; D924-K929 PolarHBondContact O-N 2.74Å; D924-K929 VanDerWaalsContact OD1-CD 3.28Å; D924-K929 WeakPolarHBondContact OD1-CD 3.34Å; D924-K929 IonicContact OD1-NZ 3.72Å; D924-K929 PolarHBondContact OD1-NZ 2.78Å; D924-V930 HydrophobicContact CB-CG2 4.13Å; D924-V930 PolarHBondContact O-N 3.47Å; D924-V930 VanDerWaalsContact O-N 3.17Å
925I85.8Confident85.6Confident21 Ų2176.8 Ų76.811%0.10840%0.404CS..Hα-helixtrans-69.5-50.4171.3-66.6166000111.5H921 L922 S923 S927 G928 V930 P932 L938 L941H921-I925 WeakPolarHBondContact O-CG1 3.46Å; H921-I925 PolarHBondContact O-N 3.37Å; H921-I925 VanDerWaalsContact O-N 3.15Å; L922-I925 PolarHBondContact O-N 3.44Å; S923-I925 VanDerWaalsContact C-N 3.3Å; I925-S927 VanDerWaalsContact C-N 3.29Å; I925-S927 PolarHBondContact O-N 3.49Å; I925-G928 PolarHBondContact O-N 3.28Å; I925-V930 WeakPolarHBondContact CA-O 3.44Å; I925-V930 HydrophobicContact CG1-CB 4.22Å; I925-V930 HydrophobicContact CG1-CG1 4.3Å; I925-P932 HydrophobicContact CG2-CG 4.21Å; I925-L938 HydrophobicContact CD1-CD1 4.46Å; I925-L938 HydrophobicContact CG2-CD1 4.02Å; I925-L941 HydrophobicContact CD1-CD2 3.72Å
926I82.1Confident85Confident106 Ų10682.7 Ų82.754%0.54443%0.431SS..Hα-helixtrans-62.6-36.4-178.1-67.1161.9000111.4L922 S923 G928 W942L922-I926 WeakPolarHBondContact O-CB 3.48Å; L922-I926 WeakPolarHBondContact O-CD1 3.45Å; L922-I926 WeakPolarHBondContact O-CG1 3.25Å; L922-I926 PolarHBondContact O-N 2.85Å; S923-I926 PolarHBondContact O-N 2.86Å; I926-G928 PolarHBondContact O-N 2.61Å; I926-W942 HydrophobicContact CD1-CH2 4.38Å; I926-W942 HydrophobicContact CD1-CZ2 3.79Å
927S82.7Confident84.6Confident70 Ų7084.7 Ų84.749%0.4944%0.441SS..THydrogen-bonded Turntrans-78.3-2.217661.80000114S923 D924 I925 K929S923-S927 VanDerWaalsContact O-CB 3.27Å; S923-S927 WeakPolarHBondContact O-CB 3.47Å; S923-S927 PolarHBondContact O-N 2.91Å; S923-S927 PolarHBondContact O-OG 3.27Å; D924-S927 PolarHBondContact O-OG 3.36Å; I925-S927 VanDerWaalsContact C-N 3.29Å; I925-S927 PolarHBondContact O-N 3.49Å; S927-K929 VanDerWaalsContact C-N 3.31Å; S927-K929 PolarHBondContact O-N 3.07Å
928G78.5Confident84.3Confident59 Ų5981 Ų8161%0.60843%0.426SS*.THydrogen-bonded Turntrans76.99.8177.200000115.1D924 I925 I926 V930D924-G928 PolarHBondContact O-N 3.23Å; I925-G928 PolarHBondContact O-N 3.28Å; I926-G928 PolarHBondContact O-N 2.61Å; G928-V930 VanDerWaalsContact C-N 3.32Å
929K82.1Confident83.9Confident154 Ų15486.5 Ų86.567%0.6745%0.448SS*.SBendtrans-71.2-29.8175.3-65.6174.6-171167.30112.3D924 S927D924-K929 HydrophobicContact CB-CB 4.41Å; D924-K929 HydrophobicContact CB-CD 4.46Å; D924-K929 WeakPolarHBondContact O-CB 3.32Å; D924-K929 PolarHBondContact O-N 2.74Å; D924-K929 VanDerWaalsContact OD1-CD 3.28Å; D924-K929 WeakPolarHBondContact OD1-CD 3.34Å; D924-K929 IonicContact OD1-NZ 3.72Å; D924-K929 PolarHBondContact OD1-NZ 2.78Å; S927-K929 VanDerWaalsContact C-N 3.31Å; S927-K929 PolarHBondContact O-N 3.07Å
930V81.7Confident83.6Confident62 Ų6288.8 Ų88.838%0.37646%0.463SS..SBendtrans-129137.3178.6-179.30000108.1D924 I925 G928D924-V930 HydrophobicContact CB-CG2 4.13Å; D924-V930 PolarHBondContact O-N 3.47Å; D924-V930 VanDerWaalsContact O-N 3.17Å; I925-V930 WeakPolarHBondContact CA-O 3.44Å; I925-V930 HydrophobicContact CG1-CB 4.22Å; I925-V930 HydrophobicContact CG1-CG1 4.3Å; G928-V930 VanDerWaalsContact C-N 3.32Å
931K77.1Confident83.6Confident186 Ų18684.8 Ų84.881%0.80944%0.442SS*.  trans-95.7134.8170.6-75.1-172.8176.7-1760109.2
932P79.6Confident83.6Confident48 Ų4883.9 Ų83.931%0.31244%0.435SS..  trans-67.6149.4172.130.2-32.3000109.7I925 S934 L938I925-P932 HydrophobicContact CG2-CG 4.21Å; P932-S934 VanDerWaalsContact C-N 3.34Å; P932-L938 HydrophobicContact CB-CB 4.2Å; P932-L938 HydrophobicContact CG-CB 4.48Å
933N79.2Confident83.5Confident146 Ų14686.2 Ų86.278%0.78145%0.447SS*.SBendtrans-74.9-26.3179.9-57.3-63.3000112.1E937N933-E937 WeakPolarHBondContact CA-OE2 3.38Å; N933-E937 WeakPolarHBondContact CB-OE2 3.44Å; N933-E937 PolarHBondContact N-OE2 3.47Å; N933-E937 PolarHBondContact ND2-OE1 2.91Å; N933-E937 PolarHBondContact ND2-OE2 2.97Å
934S85.4Confident83.6Confident49 Ų4987.4 Ų87.434%0.34345%0.448SS..  trans-154168.717277.70000112.5P932 E936 E937 L938P932-S934 VanDerWaalsContact C-N 3.34Å; S934-E936 VanDerWaalsContact C-N 3.31Å; S934-E936 PolarHBondContact OG-N 2.84Å; S934-E936 PolarHBondContact OG-OE2 2.94Å; S934-E937 PolarHBondContact O-N 3.09Å; S934-E937 PolarHBondContact OG-N 3.27Å; S934-E937 VanDerWaalsContact OG-N 3.16Å; S934-L938 PolarHBondContact O-N 3.21Å
935E80.8Confident83.8Confident170 Ų17085.1 Ų85.179%0.79444%0.436SS*.Hα-helixtrans-64.8-34.9171.5-70.5-174173.600111.7L938 K939E935-L938 PolarHBondContact O-N 3.44Å; E935-K939 PolarHBondContact O-N 2.95Å
936E79.1Confident84Confident123 Ų12386.4 Ų86.458%0.57544%0.439SS*.Hα-helixtrans-62.8-41.6174.9-68.776-165.200112.6S934 L938 K939 H940S934-E936 VanDerWaalsContact C-N 3.31Å; S934-E936 PolarHBondContact OG-N 2.84Å; S934-E936 PolarHBondContact OG-OE2 2.94Å; E936-L938 VanDerWaalsContact C-N 3.34Å; E936-L938 PolarHBondContact O-N 2.76Å; E936-K939 PolarHBondContact O-N 2.7Å; E936-H940 WeakPolarHBondContact O-CB 3.2Å; E936-H940 PolarHBondContact O-CD2 3.41Å; E936-H940 PolarHBondContact O-N 2.83Å
937E83Confident84.2Confident75 Ų7586.8 Ų86.835%0.3544%0.439SS..Hα-helixtrans-62-43.8177.4-175.7-178.4-165.100111N933 S934 K939 H940 L941N933-E937 WeakPolarHBondContact CA-OE2 3.38Å; N933-E937 WeakPolarHBondContact CB-OE2 3.44Å; N933-E937 PolarHBondContact N-OE2 3.47Å; N933-E937 PolarHBondContact ND2-OE1 2.91Å; N933-E937 PolarHBondContact ND2-OE2 2.97Å; S934-E937 PolarHBondContact O-N 3.09Å; S934-E937 PolarHBondContact OG-N 3.27Å; S934-E937 VanDerWaalsContact OG-N 3.16Å; E937-K939 VanDerWaalsContact C-N 3.34Å; E937-K939 PolarHBondContact O-N 2.96Å; E937-H940 PolarHBondContact O-N 2.94Å; E937-L941 WeakPolarHBondContact O-CB 3.36Å; E937-L941 PolarHBondContact O-N 3.03Å
938L86Confident84.6Confident50 Ų5084.9 Ų84.926%0.26242%0.422SS..Hα-helixtrans-63.4-40.8176.7-178.260000111.6L922 I925 P932 S934 E935 E936 W942L922-L938 HydrophobicContact CD2-CD1 4.1Å; I925-L938 HydrophobicContact CD1-CD1 4.46Å; I925-L938 HydrophobicContact CG2-CD1 4.02Å; P932-L938 HydrophobicContact CB-CB 4.2Å; P932-L938 HydrophobicContact CG-CB 4.48Å; S934-L938 PolarHBondContact O-N 3.21Å; E935-L938 PolarHBondContact O-N 3.44Å; E936-L938 VanDerWaalsContact C-N 3.34Å; E936-L938 PolarHBondContact O-N 2.76Å; L938-W942 WeakPolarHBondContact O-CB 3.36Å; L938-W942 PolarHBondContact O-N 2.87Å; L938-W942 VanDerWaalsContact O-N 3.09Å
939K84.5Confident85.2Confident133 Ų13382.1 Ų82.158%0.57839%0.394SS*.Hα-helixtrans-61.5-50.3175.2-176.7-177.1175.2-174.40111.2E935 E936 E937 L941 W942 D943E935-K939 PolarHBondContact O-N 2.95Å; E936-K939 PolarHBondContact O-N 2.7Å; E937-K939 VanDerWaalsContact C-N 3.34Å; E937-K939 PolarHBondContact O-N 2.96Å; K939-L941 PolarHBondContact O-N 2.91Å; K939-W942 WeakPolarHBondContact O-CB 3.39Å; K939-W942 PolarHBondContact O-N 3.2Å; K939-D943 PolarHBondContact O-N 2.81Å
940H87.1Confident85.5Confident134 Ų13476.2 Ų76.262%0.6237%0.374SS*.Hα-helixtrans-60.1-42.8178.1-85-65.5000112.8E936 E937 W942 D943 H944E936-H940 WeakPolarHBondContact O-CB 3.2Å; E936-H940 PolarHBondContact O-CD2 3.41Å; E936-H940 PolarHBondContact O-N 2.83Å; E937-H940 PolarHBondContact O-N 2.94Å; H940-W942 VanDerWaalsContact C-N 3.31Å; H940-W942 PolarHBondContact O-N 2.82Å; H940-D943 PolarHBondContact O-N 3.06Å; H940-H944 WeakPolarHBondContact O-CB 3.4Å; H940-H944 PolarHBondContact O-N 3.17Å
941L88.2Confident85.9Confident23 Ų2375 Ų7512%0.1237%0.365CS..Hα-helixtrans-63-41.7178.6-175.964.1000111.2L918 H921 L922 I925 E937 K939 F945L918-L941 HydrophobicContact CD2-CD1 3.79Å; H921-L941 HydrophobicContact CB-CD2 4.31Å; L922-L941 HydrophobicContact CD1-CG 4.46Å; L922-L941 HydrophobicContact CD2-CB 4.28Å; L922-L941 HydrophobicContact CD2-CD2 3.64Å; L922-L941 HydrophobicContact CD2-CG 3.77Å; L922-L941 HydrophobicContact CG-CD2 3.76Å; L922-L941 HydrophobicContact CG-CG 3.81Å; I925-L941 HydrophobicContact CD1-CD2 3.72Å; E937-L941 WeakPolarHBondContact O-CB 3.36Å; E937-L941 PolarHBondContact O-N 3.03Å; K939-L941 PolarHBondContact O-N 2.91Å; L941-F945 WeakPolarHBondContact O-CB 3.4Å; L941-F945 PolarHBondContact O-N 3.46Å
942W89Confident86.7Confident59 Ų5966.4 Ų66.422%0.22333%0.328CS..Hα-helixtrans-64.9-45.6173.7-94.5120.4000112.8R882 W919 L922 I926 L938 K939 H940 H944 F945 Y946R882-W942 VanDerWaalsContact NH2-CB 3.35Å; W919-W942 HydrophobicContact CZ3-CH2 4.12Å; W919-W942 HydrophobicContact CZ3-CZ3 4.46Å; L922-W942 HydrophobicContact CD1-CD2 4.01Å; L922-W942 HydrophobicContact CD1-CE3 3.81Å; L922-W942 HydrophobicContact CD1-CZ3 4.13Å; L922-W942 HydrophobicContact CD2-CD2 3.83Å; L922-W942 HydrophobicContact CD2-CE3 4.47Å; L922-W942 HydrophobicContact CD2-CG 3.84Å; L922-W942 HydrophobicContact CD2-CZ2 4.48Å; I926-W942 HydrophobicContact CD1-CH2 4.38Å; I926-W942 HydrophobicContact CD1-CZ2 3.79Å; L938-W942 WeakPolarHBondContact O-CB 3.36Å; L938-W942 PolarHBondContact O-N 2.87Å; L938-W942 VanDerWaalsContact O-N 3.09Å; K939-W942 WeakPolarHBondContact O-CB 3.39Å; K939-W942 PolarHBondContact O-N 3.2Å; H940-W942 VanDerWaalsContact C-N 3.31Å; H940-W942 PolarHBondContact O-N 2.82Å; W942-H944 VanDerWaalsContact C-N 3.33Å; W942-H944 PolarHBondContact O-N 3.25Å; W942-F945 AromaticContact CE3-CD1 3.97Å; W942-F945 HydrophobicContact CE3-CD1 3.97Å; W942-F945 AromaticContact CZ3-CD1 3.9Å; W942-F945 HydrophobicContact CZ3-CD1 3.9Å; W942-F945 HydrophobicContact CZ3-CE1 4.1Å; W942-F945 WeakPolarHBondContact O-CB 3.48Å; W942-F945 PolarHBondContact O-N 2.98Å; W942-Y946 HydrophobicContact CE3-CD2 4.01Å; W942-Y946 AromaticContact CE3-CE2 3.63Å; W942-Y946 HydrophobicContact CE3-CE2 3.63Å; W942-Y946 HydrophobicContact CZ3-CD2 4.49Å; W942-Y946 AromaticContact CZ3-CE2 3.77Å; W942-Y946 HydrophobicContact CZ3-CE2 3.77Å; W942-Y946 WeakPolarHBondContact O-CD2 3.41Å; W942-Y946 PolarHBondContact O-N 2.96Å
943D86.2Confident87.4Confident49 Ų4964.1 Ų64.126%0.26231%0.313SS..Hα-helixtrans-60.6-45.5178.5-70.1-20.3000110.4R882 K939 H940 F945 Y946 E947R882-D943 IonicContact CZ-OD1 2.63Å; R882-D943 IonicContact NE-OD1 3.8Å; R882-D943 IonicContact NH2-OD1 3.22Å; R882-D943 PolarHBondContact NH2-OD1 3.09Å; K939-D943 PolarHBondContact O-N 2.81Å; H940-D943 PolarHBondContact O-N 3.06Å; D943-F945 PolarHBondContact O-N 3.25Å; D943-Y946 PolarHBondContact O-N 3.37Å; D943-Y946 VanDerWaalsContact O-N 3.15Å; D943-E947 WeakPolarHBondContact O-CG 3.49Å; D943-E947 PolarHBondContact O-N 2.85Å
944H90.4Very high88.1Confident70 Ų7057.6 Ų57.632%0.32428%0.278SS..Hα-helixtrans-63.6-39177.2-165.959.2000112.9L918 H940 W942 Y946 E947 Q948L918-H944 VanDerWaalsContact CD1-CD2 3.4Å; L918-H944 WeakPolarHBondContact CD1-CD2 3.42Å; H940-H944 WeakPolarHBondContact O-CB 3.4Å; H940-H944 PolarHBondContact O-N 3.17Å; W942-H944 VanDerWaalsContact C-N 3.33Å; W942-H944 PolarHBondContact O-N 3.25Å; H944-Y946 VanDerWaalsContact C-N 3.35Å; H944-Y946 PolarHBondContact O-N 3.16Å; H944-E947 IonicContact ND1-OE2 3.59Å; H944-E947 PolarHBondContact ND1-OE2 3.16Å; H944-E947 PolarHBondContact O-N 3.04Å; H944-Q948 WeakPolarHBondContact O-CG 3.28Å; H944-Q948 PolarHBondContact O-N 3.03Å
945F91.8Very high88.5Confident0 Ų058.2 Ų58.20%028%0.278CS..Hα-helixtrans-59.3-45.2173.2172.6-104.7000111.7F887 L891 L915 L918 W919 L922 L941 W942 D943 A949F887-F945 AromaticContact CD1-CE1 3.91Å; F887-F945 HydrophobicContact CD1-CE1 3.91Å; F887-F945 AromaticContact CD1-CZ 3.67Å; F887-F945 HydrophobicContact CD1-CZ 3.67Å; F887-F945 HydrophobicContact CE1-CD1 4.28Å; F887-F945 AromaticContact CE1-CE1 3.24Å; F887-F945 HydrophobicContact CE1-CE1 3.24Å; F887-F945 HydrophobicContact CE1-CE2 4.47Å; F887-F945 AromaticContact CE1-CZ 3.36Å; F887-F945 HydrophobicContact CE1-CZ 3.36Å; F887-F945 HydrophobicContact CZ-CD1 4.44Å; F887-F945 AromaticContact CZ-CE1 3.61Å; F887-F945 HydrophobicContact CZ-CE1 3.61Å; F887-F945 HydrophobicContact CZ-CZ 4.21Å; L891-F945 HydrophobicContact CD2-CE2 4.38Å; L891-F945 HydrophobicContact CD2-CZ 4.41Å; L915-F945 HydrophobicContact CD1-CD2 3.4Å; L915-F945 VanDerWaalsContact CD1-CD2 3.4Å; L915-F945 HydrophobicContact CD1-CE2 3.31Å; L915-F945 HydrophobicContact CD1-CG 4.26Å; L915-F945 HydrophobicContact CD1-CZ 4.14Å; L915-F945 VanDerWaalsContact CD1-O 3.32Å; L915-F945 WeakPolarHBondContact CD1-O 3.22Å; L915-F945 HydrophobicContact CG-CD2 4.35Å; L915-F945 HydrophobicContact CG-CE2 3.89Å; L918-F945 HydrophobicContact CB-CB 4.35Å; L918-F945 HydrophobicContact CB-CD2 4Å; W919-F945 HydrophobicContact CB-CD2 4.39Å; W919-F945 HydrophobicContact CB-CE2 3.75Å; W919-F945 HydrophobicContact CB-CZ 4.41Å; W919-F945 HydrophobicContact CD2-CZ 4.43Å; W919-F945 HydrophobicContact CE3-CE1 4.12Å; W919-F945 HydrophobicContact CE3-CE2 4.1Å; W919-F945 AromaticContact CE3-CZ 3.69Å; W919-F945 HydrophobicContact CE3-CZ 3.69Å; W919-F945 HydrophobicContact CZ3-CE1 4.49Å; W919-F945 HydrophobicContact CZ3-CZ 4.41Å; L922-F945 HydrophobicContact CD1-CB 3.61Å; L922-F945 HydrophobicContact CD1-CD1 4.04Å; L922-F945 HydrophobicContact CD1-CD2 4.21Å; L922-F945 HydrophobicContact CD1-CG 3.68Å; L941-F945 WeakPolarHBondContact O-CB 3.4Å; L941-F945 PolarHBondContact O-N 3.46Å; W942-F945 AromaticContact CE3-CD1 3.97Å; W942-F945 HydrophobicContact CE3-CD1 3.97Å; W942-F945 AromaticContact CZ3-CD1 3.9Å; W942-F945 HydrophobicContact CZ3-CD1 3.9Å; W942-F945 HydrophobicContact CZ3-CE1 4.1Å; W942-F945 WeakPolarHBondContact O-CB 3.48Å; W942-F945 PolarHBondContact O-N 2.98Å; D943-F945 PolarHBondContact O-N 3.25Å; F945-A949 VanDerWaalsContact O-CB 3.32Å; F945-A949 WeakPolarHBondContact O-CB 3.31Å; F945-A949 PolarHBondContact O-N 2.69Å
946Y89.1Confident89.2Confident48 Ų4851.3 Ų51.319%0.18825%0.247CC..Hα-helixtrans-68.2-40.3177.5-89.6-89.8000112.8R882 P883 L885 F887 W942 D943 H944 A949 A950R882-Y946 HydrophobicContact CB-CD1 4.05Å; R882-Y946 HydrophobicContact CB-CE1 3.73Å; R882-Y946 VanDerWaalsContact CD-CE2 3.43Å; R882-Y946 HydrophobicContact CG-CE1 4.49Å; P883-Y946 HydrophobicContact CG-CD1 4.2Å; P883-Y946 WeakPolarHBondContact O-CE1 3.44Å; L885-Y946 HydrophobicContact CD1-CD1 4.46Å; F887-Y946 AromaticContact CE2-CE1 3.77Å; F887-Y946 HydrophobicContact CE2-CE1 3.77Å; F887-Y946 AromaticContact CE2-CZ 3.85Å; F887-Y946 HydrophobicContact CZ-CD1 4.08Å; F887-Y946 AromaticContact CZ-CE1 3.63Å; F887-Y946 HydrophobicContact CZ-CE1 3.63Å; F887-Y946 HydrophobicContact CZ-CE2 4.44Å; F887-Y946 AromaticContact CZ-CZ 3.85Å; W942-Y946 HydrophobicContact CE3-CD2 4.01Å; W942-Y946 AromaticContact CE3-CE2 3.63Å; W942-Y946 HydrophobicContact CE3-CE2 3.63Å; W942-Y946 HydrophobicContact CZ3-CD2 4.49Å; W942-Y946 AromaticContact CZ3-CE2 3.77Å; W942-Y946 HydrophobicContact CZ3-CE2 3.77Å; W942-Y946 WeakPolarHBondContact O-CD2 3.41Å; W942-Y946 PolarHBondContact O-N 2.96Å; D943-Y946 PolarHBondContact O-N 3.37Å; D943-Y946 VanDerWaalsContact O-N 3.15Å; H944-Y946 VanDerWaalsContact C-N 3.35Å; H944-Y946 PolarHBondContact O-N 3.16Å; Y946-A949 PolarHBondContact O-N 2.79Å; Y946-A950 WeakPolarHBondContact O-CB 3.3Å; Y946-A950 PolarHBondContact O-N 3.27Å
947E87.6Confident90Very high115 Ų11546.4 Ų46.454%0.53722%0.224SC..Hα-helixtrans-57-50173.8-74.7171-179.900111.1D943 H944 A949 A950 L951D943-E947 WeakPolarHBondContact O-CG 3.49Å; D943-E947 PolarHBondContact O-N 2.85Å; H944-E947 IonicContact ND1-OE2 3.59Å; H944-E947 PolarHBondContact ND1-OE2 3.16Å; H944-E947 PolarHBondContact O-N 3.04Å; E947-A949 PolarHBondContact O-N 3.3Å; E947-A950 PolarHBondContact O-N 3.1Å; E947-L951 WeakPolarHBondContact O-CG 3.43Å; E947-L951 PolarHBondContact O-N 3.01Å
948Q91.1Very high90.4Very high29 Ų2948.3 Ų48.314%0.13624%0.243CC..Hα-helixtrans-66-37.6178.8-66.5-50.8-57.700112.2L914 L915 L918 H944 A950 L951L914-Q948 HydrophobicContact CD2-CG 4.02Å; L914-Q948 HydrophobicContact CG-CG 4.41Å; L915-Q948 HydrophobicContact CD1-CB 4.18Å; L918-Q948 HydrophobicContact CD1-CB 4.25Å; L918-Q948 HydrophobicContact CD1-CG 3.82Å; H944-Q948 WeakPolarHBondContact O-CG 3.28Å; H944-Q948 PolarHBondContact O-N 3.03Å; Q948-A950 VanDerWaalsContact C-N 3.32Å; Q948-A950 PolarHBondContact O-N 3.21Å; Q948-L951 PolarHBondContact O-N 2.95Å
949A90.9Very high90.8Very high1 Ų151.1 Ų51.11%0.00826%0.255CS..Hα-helixtrans-64.4-38.7176.600000111.8L885 F887 L890 L915 F945 Y946 E947 L951 I952L885-A949 HydrophobicContact CD1-CB 3.4Å; F887-A949 HydrophobicContact CE1-CB 3.89Å; F887-A949 HydrophobicContact CZ-CB 4.41Å; L890-A949 HydrophobicContact CD1-CB 4.26Å; L915-A949 HydrophobicContact CD1-CB 3.69Å; L915-A949 HydrophobicContact CD2-CB 4.1Å; F945-A949 VanDerWaalsContact O-CB 3.32Å; F945-A949 WeakPolarHBondContact O-CB 3.31Å; F945-A949 PolarHBondContact O-N 2.69Å; Y946-A949 PolarHBondContact O-N 2.79Å; E947-A949 PolarHBondContact O-N 3.3Å; A949-L951 PolarHBondContact O-N 3.19Å; A949-I952 PolarHBondContact O-N 3.06Å
950A88.6Confident91.3Very high31 Ų3145 Ų4526%0.25623%0.229SC..Hα-helixtrans-65.6-25.9-17900000113.1L885 Y946 E947 Q948 I952 R1212L885-A950 HydrophobicContact CD1-CB 4.49Å; Y946-A950 WeakPolarHBondContact O-CB 3.3Å; Y946-A950 PolarHBondContact O-N 3.27Å; E947-A950 PolarHBondContact O-N 3.1Å; Q948-A950 VanDerWaalsContact C-N 3.32Å; Q948-A950 PolarHBondContact O-N 3.21Å; A950-I952 VanDerWaalsContact C-N 3.32Å; A950-R1212 PolarHBondContact O-NH2 3.1Å
951L90.3Very high91.7Very high37 Ų3739.5 Ų39.519%0.19421%0.206CC..THydrogen-bonded Turntrans-76.2-13.4177.4-64.3176.2000114.2V909 E947 Q948 A949 T1058V909-L951 HydrophobicContact CG2-CD1 4.48Å; V909-L951 HydrophobicContact CG2-CD2 4.14Å; E947-L951 WeakPolarHBondContact O-CG 3.43Å; E947-L951 PolarHBondContact O-N 3.01Å; Q948-L951 PolarHBondContact O-N 2.95Å; A949-L951 PolarHBondContact O-N 3.19Å; L951-T1058 HydrophobicContact CD2-CG2 3.88Å
952I92.9Very high92Very high4 Ų443.7 Ų43.72%0.02123%0.227CC..SBendtrans-74123.9178-53.2-67.4000108.9L890 I899 I903 I912 L915 A949 A950L890-I952 HydrophobicContact CD2-CB 4Å; L890-I952 HydrophobicContact CD2-CG1 4.15Å; L890-I952 HydrophobicContact CD2-CG2 3.67Å; I899-I952 HydrophobicContact CG2-CG2 3.86Å; I903-I952 HydrophobicContact CD1-CD1 3.67Å; I903-I952 HydrophobicContact CD1-CG2 4.38Å; I912-I952 HydrophobicContact CB-CD1 4.39Å; L915-I952 HydrophobicContact CD2-CG1 4.32Å; A949-I952 PolarHBondContact O-N 3.06Å; A950-I952 VanDerWaalsContact C-N 3.32Å
953P93.9Very high92.2Very high0 Ų041.8 Ų41.80%023%0.226CC..PPolyproline II helixtrans-72.2170.6-177.832.6-36.9000111.9R889 I903 Q908R889-P953 PolarHBondContact NH2-O 2.95Å; I903-P953 HydrophobicContact CG1-CG 4.08Å; Q908-P953 HydrophobicContact CB-CB 4.4Å; Q908-P953 HydrophobicContact CB-CG 3.99Å; Q908-P953 HydrophobicContact CG-CB 3.94Å; Q908-P953 HydrophobicContact CG-CG 3.94Å
954N94.4Very high92.5Very high10 Ų1042.7 Ų42.75%0.05323%0.231CC..PPolyproline II helixtrans-62.3166.2168.8-155.1-5.6000111.5N902 R906 A1178 P1179 C1205 T1206 F1208N902-N954 PolarHBondContact ND2-O 2.65Å; R906-N954 PolarHBondContact NH1-O 3.16Å; N954-A1178 PolarHBondContact N-O 3.16Å; N954-P1179 WeakPolarHBondContact CB-O 3.27Å; N954-P1179 PolarHBondContact ND2-O 3.35Å; N954-C1205 PolarHBondContact ND2-O 3.37Å; N954-T1206 PolarHBondContact ND2-OG1 3.26Å; N954-T1206 PolarHBondContact OD1-OG1 2.68Å; N954-F1208 HydrophobicContact CB-CB 4.21Å; N954-F1208 HydrophobicContact CB-CD2 3.73Å; N954-F1208 HydrophobicContact CB-CG 4.26Å
955D93.7Very high92.5Very high62 Ų6244.7 Ų44.733%0.33224%0.24SC..PPolyproline II helixtrans-65.1162.8168.4-73.8-35.7000111R889 R906 Y1181R889-D955 IonicContact CZ-OD1 3.51Å; R889-D955 VanDerWaalsContact NH1-CG 3.32Å; R889-D955 IonicContact NH1-OD1 2.69Å; R889-D955 PolarHBondContact NH1-OD1 3.39Å; R889-D955 IonicContact NH1-OD2 3.29Å; R889-D955 PolarHBondContact NH1-OD2 3.39Å; R906-D955 PolarHBondContact NH1-O 3.07Å; D955-Y1181 HydrophobicContact CB-CD2 4.04Å; D955-Y1181 HydrophobicContact CB-CE2 4.04Å; D955-Y1181 WeakPolarHBondContact O-CA 3.44Å; D955-Y1181 VanDerWaalsContact O-CD2 3.28Å; D955-Y1181 WeakPolarHBondContact O-CD2 3.43Å
956T95.4Very high92.4Very high24 Ų2450 Ų5015%0.14727%0.273CS..  trans-107130.9176.6-62.10000109.1N902 R906 A960 L1176N902-T956 WeakPolarHBondContact OD1-CB 3.46Å; N902-T956 PolarHBondContact OD1-OG1 2.98Å; R906-T956 WeakPolarHBondContact CD-OG1 3.37Å; R906-T956 PolarHBondContact NH1-OG1 2.97Å; T956-A960 HydrophobicContact CG2-CB 3.88Å; T956-L1176 HydrophobicContact CG2-CD1 3.8Å
957H95.2Very high92.7Very high20 Ų2052.7 Ų52.79%0.09329%0.287CS..  trans-60.5133.3176.3-174.2-71.2000110.3E959 A960 Y1181 R1182H957-E959 IonicContact CE1-OE2 2.61Å; H957-E959 WeakPolarHBondContact ND1-CB 3.33Å; H957-E959 PolarHBondContact ND1-N 2.91Å; H957-E959 PolarHBondContact O-N 3.19Å; H957-E959 VanDerWaalsContact O-N 3.07Å; H957-A960 VanDerWaalsContact O-CB 3.25Å; H957-A960 WeakPolarHBondContact O-CB 3.46Å; H957-A960 PolarHBondContact O-N 2.92Å; H957-Y1181 VanDerWaalsContact CA-CZ 3.48Å; H957-Y1181 HydrophobicContact CB-CD1 3.95Å; H957-Y1181 HydrophobicContact CB-CD2 4.43Å; H957-Y1181 HydrophobicContact CB-CE1 3.68Å; H957-Y1181 HydrophobicContact CB-CE2 4.15Å; H957-Y1181 HydrophobicContact CB-CG 4.31Å; H957-Y1181 VanDerWaalsContact CB-O 3.3Å; H957-Y1181 WeakPolarHBondContact CB-O 3.31Å; H957-Y1181 AromaticContact CD2-CD1 3.99Å; H957-Y1181 AromaticContact CD2-CE1 3.29Å; H957-Y1181 WeakPolarHBondContact CD2-CE1 3.36Å; H957-Y1181 AromaticContact CD2-CZ 3.88Å; H957-Y1181 AromaticContact CG-CE1 3.79Å; H957-Y1181 PolarHBondContact N-O 3.37Å; H957-R1182 HydrophobicContact CB-CB 3.93Å; H957-R1182 HydrophobicContact CB-CG 4.28Å; H957-R1182 PolarHBondContact CE1-NH1 3.1Å; H957-R1182 PolarHBondContact NE2-NH1 3.2Å
958P93Very high93.1Very high116 Ų11648.3 Ų48.375%0.75327%0.27SS*.THydrogen-bonded Turntrans-57-29-175.3-28.334.7000115.4Y1181P958-Y1181 WeakPolarHBondContact CD-OH 3.24Å
959E94.1Very high93.4Very high109 Ų10952.5 Ų52.551%0.50929%0.285SS..THydrogen-bonded Turntrans-84.7-6.3176.3-61.3179.9171.100115.3H957 R969 R1182H957-E959 IonicContact CE1-OE2 2.61Å; H957-E959 WeakPolarHBondContact ND1-CB 3.33Å; H957-E959 PolarHBondContact ND1-N 2.91Å; H957-E959 PolarHBondContact O-N 3.19Å; H957-E959 VanDerWaalsContact O-N 3.07Å; E959-R969 PolarHBondContact O-NH2 3.2Å; E959-R1182 IonicContact OE2-CZ 3.92Å; E959-R1182 IonicContact OE2-NH1 3.46Å; E959-R1182 PolarHBondContact OE2-NH1 3.12Å; E959-R1182 IonicContact OE2-NH2 3.95Å; E959-R1182 PolarHBondContact OE2-NH2 2.71Å; E959-R1182 VanDerWaalsContact OE2-NH2 3.07Å
960A94.7Very high93.7Very high5 Ų556 Ų564%0.04131%0.306CS..SBendtrans-64.3131.9178.400000109.3T956 H957 L1176T956-A960 HydrophobicContact CG2-CB 3.88Å; H957-A960 VanDerWaalsContact O-CB 3.25Å; H957-A960 WeakPolarHBondContact O-CB 3.46Å; H957-A960 PolarHBondContact O-N 2.92Å; A960-L1176 HydrophobicContact CB-CD1 4.45Å
961P95.6Very high94Very high18 Ų1858.8 Ų58.812%0.11732%0.315CS..  trans-57.7152.2174.2-22.533.8000111.4Q967 R969 D1170 P1172 S1173P961-Q967 WeakPolarHBondContact CB-O 3.37Å; P961-R969 HydrophobicContact CG-CB 3.8Å; P961-D1170 HydrophobicContact CG-CB 4.24Å; P961-P1172 HydrophobicContact CB-CB 4.05Å; P961-P1172 CarbonylContact O-C 3.58Å; P961-P1172 WeakPolarHBondContact O-CA 3.24Å; P961-S1173 PolarHBondContact O-N 3.03Å
962L93.9Very high94.2Very high110 Ų11059.3 Ų59.358%0.57632%0.318SS*.  trans-104.6135.7-177.5-53.9-174.9000110.1L905 Q967L905-L962 HydrophobicContact CD1-CB 4.27Å; L905-L962 HydrophobicContact CD1-CD1 4.5Å; L905-L962 HydrophobicContact CD1-CD2 4.02Å; L905-L962 HydrophobicContact CD1-CG 4.49Å; L905-L962 HydrophobicContact CD2-CD2 3.92Å; L905-L962 HydrophobicContact CG-CD2 4.43Å; L962-Q967 WeakPolarHBondContact O-CB 3.46Å; L962-Q967 WeakPolarHBondContact O-CG 3.42Å
963G93.5Very high94.4Very high19 Ų1962.4 Ų62.420%0.19634%0.337CS..SBendtrans116.4-159.4175.400000114.1P1172 S1173 E1174G963-P1172 WeakPolarHBondContact O-CB 3.37Å; G963-S1173 PolarHBondContact N-OG 3.24Å; G963-S1173 VanDerWaalsContact N-OG 3.16Å; G963-E1174 VanDerWaalsContact O-CB 3.24Å; G963-E1174 WeakPolarHBondContact O-CB 3.32Å; G963-E1174 WeakPolarHBondContact O-CG 3.47Å; G963-E1174 PolarHBondContact O-N 3.36Å; G963-E1174 VanDerWaalsContact O-N 3.15Å
964D92.2Very high94.3Very high69 Ų6966 Ų6637%0.36935%0.354SS..SBendtrans-78.7174.2-179.966.531.8000112.8T966 Q967 P1172D964-T966 PolarHBondContact O-N 3.43Å; D964-T966 VanDerWaalsContact OD1-CB 3.25Å; D964-T966 WeakPolarHBondContact OD1-CB 3.49Å; D964-T966 WeakPolarHBondContact OD1-CG2 3.31Å; D964-T966 PolarHBondContact OD1-N 3.08Å; D964-T966 PolarHBondContact OD1-OG1 3.26Å; D964-Q967 WeakPolarHBondContact O-CB 3.41Å; D964-Q967 PolarHBondContact O-N 2.72Å; D964-P1172 WeakPolarHBondContact O-CG 3.29Å
965E89.9Confident94.1Very high112 Ų11268.3 Ų68.352%0.52338%0.379SS..G310 helixtrans-46.5-29.8179-168.5-178.2-176.900114.4Q967 A968 M1171 E1175E965-Q967 PolarHBondContact O-N 3.23Å; E965-A968 VanDerWaalsContact O-CB 3.24Å; E965-A968 WeakPolarHBondContact O-CB 3.47Å; E965-A968 PolarHBondContact O-N 3.13Å; E965-A968 VanDerWaalsContact O-N 3.1Å; E965-M1171 HydrophobicContact CG-CE 4.41Å; E965-E1175 HydrophobicContact CB-CG 3.9Å; E965-E1175 HydrophobicContact CG-CG 4.35Å
966T91.5Very high93.9Very high110 Ų11075.7 Ų75.768%0.67540%0.403SS*.G310 helixtrans-67.6-19.1179.674.30000113.3D964 A968D964-T966 PolarHBondContact O-N 3.43Å; D964-T966 VanDerWaalsContact OD1-CB 3.25Å; D964-T966 WeakPolarHBondContact OD1-CB 3.49Å; D964-T966 WeakPolarHBondContact OD1-CG2 3.31Å; D964-T966 PolarHBondContact OD1-N 3.08Å; D964-T966 PolarHBondContact OD1-OG1 3.26Å; T966-A968 VanDerWaalsContact C-N 3.3Å
967Q95.3Very high93.7Very high105 Ų10579.2 Ų79.249%0.49142%0.416SS..G310 helixtrans-883.9177.3-54.9-54.7-57.800113P961 L962 D964 E965 R969 P1172P961-Q967 WeakPolarHBondContact CB-O 3.37Å; L962-Q967 WeakPolarHBondContact O-CB 3.46Å; L962-Q967 WeakPolarHBondContact O-CG 3.42Å; D964-Q967 WeakPolarHBondContact O-CB 3.41Å; D964-Q967 PolarHBondContact O-N 2.72Å; E965-Q967 PolarHBondContact O-N 3.23Å; Q967-R969 PolarHBondContact O-N 3.22Å; Q967-P1172 HydrophobicContact CB-CB 4.17Å
968A95.3Very high93Very high23 Ų2382.3 Ų82.319%0.1943%0.429CS..  trans-56.8126.1175.200000111.1E965 T966 L1169 D1170 M1171E965-A968 VanDerWaalsContact O-CB 3.24Å; E965-A968 WeakPolarHBondContact O-CB 3.47Å; E965-A968 PolarHBondContact O-N 3.13Å; E965-A968 VanDerWaalsContact O-N 3.1Å; T966-A968 VanDerWaalsContact C-N 3.3Å; A968-L1169 HydrophobicContact CB-CB 4.4Å; A968-L1169 HydrophobicContact CB-CD1 4.32Å; A968-D1170 WeakPolarHBondContact CA-O 3.45Å; A968-M1171 HydrophobicContact CB-SD 4.21Å
969R97.1Very high92.7Very high117 Ų11785.9 Ų85.944%0.44244%0.436SS..EExtended strand (participates in β ladder)trans-89.3119.7-176.8177.417360.3-150.5-6.6110E959 P961 Q967 M971 L1169 D1170E959-R969 PolarHBondContact O-NH2 3.2Å; P961-R969 HydrophobicContact CG-CB 3.8Å; Q967-R969 PolarHBondContact O-N 3.22Å; R969-M971 PolarHBondContact O-N 2.95Å; R969-L1169 WeakPolarHBondContact O-CA 3.22Å; R969-D1170 HydrophobicContact CB-CB 4.2Å; R969-D1170 IonicContact CZ-OD2 2.8Å; R969-D1170 PolarHBondContact N-O 2.97Å; R969-D1170 IonicContact NE-OD2 3.37Å; R969-D1170 IonicContact NH2-OD2 2.98Å; R969-D1170 PolarHBondContact NH2-OD2 2.95Å; R969-D1170 PolarHBondContact O-N 3.26Å
970V96.7Very high92.2Very high74 Ų7482.6 Ų82.645%0.44842%0.42SS..EExtended strand (participates in β ladder)trans-67.6114.4172.8-175.60000109.4V973 R1167 L1169V970-V973 HydrophobicContact CG1-CG2 3.73Å; V970-R1167 HydrophobicContact CG1-CB 4.42Å; V970-L1169 HydrophobicContact CB-CD2 4.28Å; V970-L1169 HydrophobicContact CG2-CD2 3.69Å
971M95.7Very high91.9Very high91 Ų9188 Ų8845%0.44845%0.448SS..EExtended strand (participates in β ladder)trans-91.2-37.5-179.4-65.9-173.269.900112.8R969 V1168 D1170 F1184R969-M971 PolarHBondContact O-N 2.95Å; M971-V1168 HydrophobicContact CB-CB 4.38Å; M971-V1168 HydrophobicContact CB-CG1 4.24Å; M971-V1168 PolarHBondContact N-O 3.12Å; M971-D1170 HydrophobicContact CG-CB 3.93Å; M971-D1170 HydrophobicContact SD-CB 3.75Å; M971-F1184 HydrophobicContact CE-CE1 3.95Å; M971-F1184 HydrophobicContact CE-CZ 4.4Å; M971-F1184 HydrophobicContact SD-CD1 3.48Å; M971-F1184 WeakPolarHBondContact SD-CD1 3.46Å; M971-F1184 HydrophobicContact SD-CE1 3.29Å; M971-F1184 WeakPolarHBondContact SD-CE1 3.15Å; M971-F1184 HydrophobicContact SD-CZ 4.26Å
972D95Very high91.5Very high47 Ų4789.5 Ų89.525%0.25145%0.453SS..EExtended strand (participates in β ladder)trans-154.3152.2-174.6-166.58.7000109.9Q974 K1156 R1167 V1168D972-Q974 PolarHBondContact OD1-NE2 2.88Å; D972-Q974 PolarHBondContact OD2-NE2 3.09Å; D972-K1156 WeakPolarHBondContact OD2-CE 3.49Å; D972-K1156 IonicContact OD2-NZ 3.41Å; D972-K1156 PolarHBondContact OD2-NZ 3.13Å; D972-R1167 CarbonylContact O-C 3.57Å; D972-R1167 WeakPolarHBondContact O-CA 3.42Å; D972-V1168 HydrophobicContact CB-CB 4.06Å; D972-V1168 HydrophobicContact CB-CG2 4.01Å; D972-V1168 PolarHBondContact O-N 3.44Å
973V96.3Very high91.3Very high70 Ų7092.8 Ų92.842%0.42447%0.465SS..EExtended strand (participates in β ladder)trans-135.1117.3174.2-179.50000107.8V970 H1165 R1167V970-V973 HydrophobicContact CG1-CG2 3.73Å; V973-H1165 VanDerWaalsContact CG1-CE1 3.47Å; V973-H1165 WeakPolarHBondContact CG1-CE1 3.41Å; V973-R1167 HydrophobicContact CG2-CB 4.12Å
974Q93.1Very high91Very high76 Ų7693.5 Ų93.536%0.35547%0.466SS..EExtended strand (participates in β ladder)trans-110.9145.6-176.1-67.4-70-2300110.4D972 H1165 F1166D972-Q974 PolarHBondContact OD1-NE2 2.88Å; D972-Q974 PolarHBondContact OD2-NE2 3.09Å; Q974-H1165 WeakPolarHBondContact O-CA 3.29Å; Q974-H1165 PolarHBondContact O-ND1 3.49Å; Q974-F1166 HydrophobicContact CB-CD1 4.15Å; Q974-F1166 HydrophobicContact CB-CD2 4.19Å; Q974-F1166 HydrophobicContact CB-CE1 3.62Å; Q974-F1166 HydrophobicContact CB-CE2 3.7Å; Q974-F1166 HydrophobicContact CB-CG 4.42Å; Q974-F1166 HydrophobicContact CB-CZ 3.39Å; Q974-F1166 HydrophobicContact CG-CE1 4.38Å; Q974-F1166 HydrophobicContact CG-CE2 3.78Å; Q974-F1166 HydrophobicContact CG-CZ 3.65Å; Q974-F1166 PolarHBondContact N-O 2.97Å; Q974-F1166 PolarHBondContact O-N 3.37Å
975G89.9Confident90.8Very high57 Ų5791.4 Ų91.459%0.58846%0.459SS*.SBendtrans71.6-167.7-175.100000113.7H1165G975-H1165 VanDerWaalsContact C-ND1 3.29Å; G975-H1165 PolarHBondContact O-ND1 3.39Å
976R89.4Confident90.8Very high218 Ų21887.3 Ų87.382%0.82344%0.442SS*.  trans-135.1142.1179.662.5-176.9178.6-177.8-0.6111K978 H1165R976-K978 PolarHBondContact O-N 2.89Å; R976-H1165 PolarHBondContact N-ND1 2.77Å
977K90.4Very high90.7Very high97 Ų9782.2 Ų82.242%0.42241%0.41SS..  trans-57.8113.8168.1-67-165.3178-163.20108.8Q979 H1165 W1189K977-Q979 PolarHBondContact O-N 2.87Å; K977-H1165 WeakPolarHBondContact CG-CD2 3.3Å; K977-H1165 WeakPolarHBondContact CG-NE2 3.22Å; K977-W1189 HydrophobicContact CD-CD2 4.21Å; K977-W1189 HydrophobicContact CD-CZ2 4.29Å; K977-W1189 HydrophobicContact CG-CG 4.37Å; K977-W1189 VanDerWaalsContact NZ-CZ3 3.29Å
978K81.6Confident90.3Very high85 Ų8578.1 Ų78.137%0.3739%0.391SS..PPolyproline II helixtrans-64.6128.8174.7-174.1175.1170.2-172.90108.9R976 F980 Q1247 Q1249R976-K978 PolarHBondContact O-N 2.89Å; K978-F980 HydrophobicContact CB-CE2 4.13Å; K978-F980 HydrophobicContact CB-CZ 4.17Å; K978-F980 HydrophobicContact CD-CD1 4.48Å; K978-F980 HydrophobicContact CD-CE1 3.76Å; K978-F980 HydrophobicContact CD-CE2 4.48Å; K978-F980 HydrophobicContact CD-CZ 3.76Å; K978-F980 HydrophobicContact CG-CE1 4.25Å; K978-F980 HydrophobicContact CG-CE2 4.33Å; K978-F980 HydrophobicContact CG-CZ 4.1Å; K978-F980 WeakPolarHBondContact O-CD2 3.42Å; K978-Q1247 WeakPolarHBondContact CD-O 3.38Å; K978-Q1247 PolarHBondContact NZ-O 3.32Å; K978-Q1247 VanDerWaalsContact NZ-O 3.09Å; K978-Q1249 PolarHBondContact NZ-O 3.37Å
979Q85.3Confident89.8Confident191 Ų19182.6 Ų82.689%0.89341%0.408SS*.PPolyproline II helixtrans-84.9124170-68.8-175.2-8.700108.2K977K977-Q979 PolarHBondContact O-N 2.87Å
980F84.5Confident89.2Confident41 Ų4177.9 Ų77.918%0.1839%0.392CS..PPolyproline II helixtrans-99.1138175.2-61.3-86.8000108.7K978 F982 P984 P1191 E1246 Q1249K978-F980 HydrophobicContact CB-CE2 4.13Å; K978-F980 HydrophobicContact CB-CZ 4.17Å; K978-F980 HydrophobicContact CD-CD1 4.48Å; K978-F980 HydrophobicContact CD-CE1 3.76Å; K978-F980 HydrophobicContact CD-CE2 4.48Å; K978-F980 HydrophobicContact CD-CZ 3.76Å; K978-F980 HydrophobicContact CG-CE1 4.25Å; K978-F980 HydrophobicContact CG-CE2 4.33Å; K978-F980 HydrophobicContact CG-CZ 4.1Å; K978-F980 WeakPolarHBondContact O-CD2 3.42Å; F980-F982 HydrophobicContact CB-CD1 4.35Å; F980-F982 HydrophobicContact CB-CE1 4.28Å; F980-F982 HydrophobicContact CB-CZ 4.44Å; F980-F982 WeakPolarHBondContact CB-O 3.23Å; F980-F982 AromaticContact CD1-CE1 3.9Å; F980-F982 HydrophobicContact CD1-CE1 3.9Å; F980-F982 HydrophobicContact CD1-CE2 4.05Å; F980-F982 AromaticContact CD1-CZ 3.51Å; F980-F982 HydrophobicContact CD1-CZ 3.51Å; F980-F982 HydrophobicContact CE1-CZ 4.21Å; F980-F982 HydrophobicContact CG-CZ 4.38Å; F980-F982 PolarHBondContact O-N 2.77Å; F980-P984 HydrophobicContact CD2-CB 4.03Å; F980-P984 HydrophobicContact CD2-CG 4.24Å; F980-P984 HydrophobicContact CE2-CB 4.17Å; F980-P984 HydrophobicContact CG-CB 4.34Å; F980-P1191 HydrophobicContact CD2-CB 4.47Å; F980-P1191 HydrophobicContact CE2-CB 3.7Å; F980-P1191 HydrophobicContact CE2-CG 3.78Å; F980-P1191 HydrophobicContact CZ-CB 4.44Å; F980-P1191 HydrophobicContact CZ-CG 4.04Å; F980-E1246 WeakPolarHBondContact CZ-O 3.33Å; F980-Q1249 HydrophobicContact CD1-CG 4.14Å; F980-Q1249 HydrophobicContact CE1-CG 3.46Å; F980-Q1249 VanDerWaalsContact CE1-CG 3.46Å; F980-Q1249 HydrophobicContact CZ-CG 4.01Å
981D87.6Confident88.7Confident119 Ų11974.4 Ų74.464%0.63637%0.37SS*.SBendtrans-84.416170.570.2-55000112.2K1251D981-K1251 WeakPolarHBondContact OD2-CD 3.34Å; D981-K1251 IonicContact OD2-NZ 2.86Å; D981-K1251 PolarHBondContact OD2-NZ 3.16Å
982F87.6Confident88Confident48 Ų4874.3 Ų74.321%0.21137%0.371CS..SBendtrans-149.5162.8178.458.8-85.1000109.2F980 P984 Q1249 T1250 K1251F980-F982 HydrophobicContact CB-CD1 4.35Å; F980-F982 HydrophobicContact CB-CE1 4.28Å; F980-F982 HydrophobicContact CB-CZ 4.44Å; F980-F982 WeakPolarHBondContact CB-O 3.23Å; F980-F982 AromaticContact CD1-CE1 3.9Å; F980-F982 HydrophobicContact CD1-CE1 3.9Å; F980-F982 HydrophobicContact CD1-CE2 4.05Å; F980-F982 AromaticContact CD1-CZ 3.51Å; F980-F982 HydrophobicContact CD1-CZ 3.51Å; F980-F982 HydrophobicContact CE1-CZ 4.21Å; F980-F982 HydrophobicContact CG-CZ 4.38Å; F980-F982 PolarHBondContact O-N 2.77Å; F982-P984 WeakPolarHBondContact O-CD 3.37Å; F982-Q1249 HydrophobicContact CE2-CG 4.05Å; F982-Q1249 HydrophobicContact CZ-CG 4.11Å; F982-T1250 VanDerWaalsContact CZ-C 3.41Å; F982-K1251 HydrophobicContact CB-CG 4.37Å; F982-K1251 HydrophobicContact CD1-CB 3.59Å; F982-K1251 HydrophobicContact CD1-CD 4.21Å; F982-K1251 HydrophobicContact CD1-CG 3.88Å; F982-K1251 HydrophobicContact CE1-CB 3.68Å; F982-K1251 HydrophobicContact CE1-CG 4.46Å; F982-K1251 HydrophobicContact CG-CB 4.28Å; F982-K1251 HydrophobicContact CG-CG 4.21Å; F982-K1251 HydrophobicContact CZ-CB 4.41Å; F982-K1251 VanDerWaalsContact CZ-N 3.32Å
983E88.6Confident87.4Confident180 Ų18076 Ų7684%0.84139%0.386SS*.PPolyproline II helixtrans-71.3118.3175.4-171.1166.6-175.800110A985E983-A985 PolarHBondContact O-N 3.5Å
984P87.9Confident86.5Confident33 Ų3375.8 Ų75.821%0.21438%0.38CS..PPolyproline II helixtrans-67.7127.7-176.627.1-33.5000110.7F980 F982 P1191 G1192 Q1249F980-P984 HydrophobicContact CD2-CB 4.03Å; F980-P984 HydrophobicContact CD2-CG 4.24Å; F980-P984 HydrophobicContact CE2-CB 4.17Å; F980-P984 HydrophobicContact CG-CB 4.34Å; F982-P984 WeakPolarHBondContact O-CD 3.37Å; P984-P1191 HydrophobicContact CB-CB 4.11Å; P984-P1191 HydrophobicContact CG-CB 4.09Å; P984-P1191 WeakPolarHBondContact CG-O 3.44Å; P984-G1192 WeakPolarHBondContact O-CA 3.21Å; P984-Q1249 VanDerWaalsContact CB-NE2 3.34Å
985A88.4Confident86.1Confident25 Ų2579 Ų7921%0.20739%0.392CS..PPolyproline II helixtrans-75.8154174.700000111.3E983 Q989 L990 Q1249E983-A985 PolarHBondContact O-N 3.5Å; A985-Q989 HydrophobicContact CB-CB 4.22Å; A985-L990 HydrophobicContact CB-CD2 3.86Å; A985-L990 HydrophobicContact CB-CG 3.9Å; A985-Q1249 PolarHBondContact O-NE2 3.37Å
986T90.3Very high86Confident27 Ų2776.4 Ų76.417%0.16637%0.365CS..PPolyproline II helixtrans-70.6156.5171.968.70000111.3E988 Q989 L990 R1193 E1246T986-E988 PolarHBondContact O-N 3.27Å; T986-Q989 PolarHBondContact O-N 3.08Å; T986-Q989 VanDerWaalsContact O-N 3.14Å; T986-Q989 VanDerWaalsContact OG1-CG 3.27Å; T986-Q989 WeakPolarHBondContact OG1-CG 3.28Å; T986-Q989 PolarHBondContact OG1-N 3.01Å; T986-Q989 PolarHBondContact OG1-OE1 2.84Å; T986-L990 WeakPolarHBondContact O-CG 3.18Å; T986-L990 PolarHBondContact O-N 3.45Å; T986-R1193 HydrophobicContact CG2-CG 4.27Å; T986-E1246 WeakPolarHBondContact CA-OE1 3.45Å
987A87.8Confident85.9Confident2 Ų266.4 Ų66.42%0.01733%0.328CS..Hα-helixtrans-55.6-37.8176.100000112.3A991 I1242 M1245 E1246A987-A991 VanDerWaalsContact O-CB 3.25Å; A987-A991 WeakPolarHBondContact O-CB 3.41Å; A987-A991 PolarHBondContact O-N 3.35Å; A987-I1242 HydrophobicContact CB-CB 3.98Å; A987-I1242 HydrophobicContact CB-CG1 3.98Å; A987-I1242 HydrophobicContact CB-CG2 3.72Å; A987-M1245 HydrophobicContact CB-CB 4.13Å; A987-M1245 HydrophobicContact CB-CE 4.42Å; A987-M1245 HydrophobicContact CB-SD 4.24Å; A987-M1245 VanDerWaalsContact O-CE 3.25Å; A987-M1245 WeakPolarHBondContact O-CE 3.44Å; A987-E1246 HydrophobicContact CB-CG 4.03Å; A987-E1246 PolarHBondContact N-OE1 2.78Å
988E87.3Confident85.8Confident20 Ų2067.2 Ų67.29%0.09333%0.329CS..Hα-helixtrans-64.2-47.7176.2-70.269.7-15200112.1T986 L990 A991 I992 L997 G1120 I1121 R1193T986-E988 PolarHBondContact O-N 3.27Å; E988-L990 VanDerWaalsContact C-N 3.31Å; E988-L990 PolarHBondContact O-N 3.44Å; E988-A991 PolarHBondContact O-N 2.92Å; E988-I992 HydrophobicContact CB-CD1 4.41Å; E988-I992 VanDerWaalsContact O-CB 3.26Å; E988-I992 WeakPolarHBondContact O-CB 3.32Å; E988-I992 WeakPolarHBondContact O-CG1 3.08Å; E988-I992 PolarHBondContact O-N 2.97Å; E988-L997 HydrophobicContact CG-CD2 4.35Å; E988-G1120 WeakPolarHBondContact OE1-CA 3.49Å; E988-I1121 PolarHBondContact OE1-N 2.96Å; E988-I1121 VanDerWaalsContact OE1-N 3.11Å; E988-R1193 IonicContact OE1-CZ 2.91Å; E988-R1193 IonicContact OE1-NH2 2.69Å; E988-R1193 PolarHBondContact OE1-NH2 3.22Å; E988-R1193 IonicContact OE2-CZ 2.78Å; E988-R1193 IonicContact OE2-NE 2.72Å; E988-R1193 IonicContact OE2-NH2 3.78Å; E988-R1193 PolarHBondContact OE2-NH2 2.97Å
989Q85.7Confident85.8Confident117 Ų11765.6 Ų65.655%0.54733%0.326SS..Hα-helixtrans-59-46.1178.8-75.3168.6-21.800110.6A985 T986 S993A985-Q989 HydrophobicContact CB-CB 4.22Å; T986-Q989 PolarHBondContact O-N 3.08Å; T986-Q989 VanDerWaalsContact O-N 3.14Å; T986-Q989 VanDerWaalsContact OG1-CG 3.27Å; T986-Q989 WeakPolarHBondContact OG1-CG 3.28Å; T986-Q989 PolarHBondContact OG1-N 3.01Å; T986-Q989 PolarHBondContact OG1-OE1 2.84Å; Q989-S993 VanDerWaalsContact O-CB 3.29Å; Q989-S993 WeakPolarHBondContact O-CB 3.46Å; Q989-S993 PolarHBondContact O-N 2.75Å; Q989-S993 PolarHBondContact O-OG 3.45Å
990L84.6Confident85.1Confident18 Ų1861.4 Ų61.49%0.09431%0.31CS..Hα-helixtrans-59.5-55.6175-66.3172.9000110.4A985 T986 E988 I992 S993 F994 M1245 Q1249A985-L990 HydrophobicContact CB-CD2 3.86Å; A985-L990 HydrophobicContact CB-CG 3.9Å; T986-L990 WeakPolarHBondContact O-CG 3.18Å; T986-L990 PolarHBondContact O-N 3.45Å; E988-L990 VanDerWaalsContact C-N 3.31Å; E988-L990 PolarHBondContact O-N 3.44Å; L990-I992 PolarHBondContact O-N 2.7Å; L990-S993 PolarHBondContact O-N 3.13Å; L990-S993 PolarHBondContact O-OG 3.17Å; L990-F994 HydrophobicContact CB-CE2 4.4Å; L990-F994 HydrophobicContact CD2-CE2 4.5Å; L990-F994 WeakPolarHBondContact O-CD2 3.37Å; L990-F994 PolarHBondContact O-N 2.85Å; L990-F994 VanDerWaalsContact O-N 3.13Å; L990-M1245 HydrophobicContact CB-CE 3.58Å; L990-M1245 HydrophobicContact CD1-CB 4.44Å; L990-M1245 HydrophobicContact CD1-CE 4.35Å; L990-Q1249 HydrophobicContact CD1-CB 4.01Å
991A85.6Confident84.1Confident0 Ų059.5 Ų59.50%030%0.302CS..Hα-helixtrans-65.9-37.3-173.200000113.8A987 E988 F994 K995 I996 L997 L1016 M1245A987-A991 VanDerWaalsContact O-CB 3.25Å; A987-A991 WeakPolarHBondContact O-CB 3.41Å; A987-A991 PolarHBondContact O-N 3.35Å; E988-A991 PolarHBondContact O-N 2.92Å; A991-F994 PolarHBondContact O-N 2.98Å; A991-K995 PolarHBondContact O-N 2.86Å; A991-K995 VanDerWaalsContact O-N 3.12Å; A991-I996 HydrophobicContact CB-CG1 3.91Å; A991-I996 WeakPolarHBondContact O-CG1 3.3Å; A991-I996 PolarHBondContact O-N 2.82Å; A991-L997 HydrophobicContact CB-CB 3.3Å; A991-L997 HydrophobicContact CB-CD2 3.87Å; A991-L997 HydrophobicContact CB-CG 4.23Å; A991-L997 PolarHBondContact O-N 3.33Å; A991-L1016 HydrophobicContact CB-CD2 4.04Å; A991-M1245 HydrophobicContact CB-CE 3.87Å
992I81.8Confident82.7Confident90 Ų9055.5 Ų55.546%0.46229%0.288SS..Hα-helixtrans-67.3-42.8175.6-68.5168.1000109.8E988 L990 F994 K995E988-I992 HydrophobicContact CB-CD1 4.41Å; E988-I992 VanDerWaalsContact O-CB 3.26Å; E988-I992 WeakPolarHBondContact O-CB 3.32Å; E988-I992 WeakPolarHBondContact O-CG1 3.08Å; E988-I992 PolarHBondContact O-N 2.97Å; L990-I992 PolarHBondContact O-N 2.7Å; I992-F994 PolarHBondContact O-N 3.04Å; I992-K995 PolarHBondContact O-N 3.06Å
993S81.2Confident81.5Confident82 Ų8262.2 Ų62.257%0.57332%0.32SS*.Hα-helixtrans-59.8-34.6177.577.50000112.5Q989 L990Q989-S993 VanDerWaalsContact O-CB 3.29Å; Q989-S993 WeakPolarHBondContact O-CB 3.46Å; Q989-S993 PolarHBondContact O-N 2.75Å; Q989-S993 PolarHBondContact O-OG 3.45Å; L990-S993 PolarHBondContact O-N 3.13Å; L990-S993 PolarHBondContact O-OG 3.17Å
994F77.4Confident80.3Confident65 Ų6558.2 Ų58.229%0.28531%0.308SS..THydrogen-bonded Turntrans-86.1-2.7176-63.8-58.4000114.1L990 A991 I992 I996 F1269L990-F994 HydrophobicContact CB-CE2 4.4Å; L990-F994 HydrophobicContact CD2-CE2 4.5Å; L990-F994 WeakPolarHBondContact O-CD2 3.37Å; L990-F994 PolarHBondContact O-N 2.85Å; L990-F994 VanDerWaalsContact O-N 3.13Å; A991-F994 PolarHBondContact O-N 2.98Å; I992-F994 PolarHBondContact O-N 3.04Å; F994-I996 HydrophobicContact CB-CD1 3.96Å; F994-I996 HydrophobicContact CB-CG1 3.93Å; F994-I996 HydrophobicContact CB-CG2 4.1Å; F994-I996 HydrophobicContact CD2-CD1 4.38Å; F994-I996 PolarHBondContact O-N 3.43Å; F994-F1269 HydrophobicContact CD2-CD2 4.29Å; F994-F1269 HydrophobicContact CD2-CE2 4.39Å; F994-F1269 HydrophobicContact CD2-CG 4.39Å; F994-F1269 HydrophobicContact CE1-CB 4.12Å; F994-F1269 HydrophobicContact CE1-CG 4.47Å; F994-F1269 HydrophobicContact CE2-CB 4.48Å; F994-F1269 AromaticContact CE2-CD2 3.65Å; F994-F1269 HydrophobicContact CE2-CD2 3.65Å; F994-F1269 AromaticContact CE2-CE2 3.97Å; F994-F1269 HydrophobicContact CE2-CE2 3.97Å; F994-F1269 HydrophobicContact CE2-CG 4.03Å; F994-F1269 HydrophobicContact CZ-CB 4.03Å; F994-F1269 AromaticContact CZ-CD2 3.92Å; F994-F1269 HydrophobicContact CZ-CD2 3.92Å; F994-F1269 HydrophobicContact CZ-CG 4.08Å
995K84.9Confident79.7Confident143 Ų14360.2 Ų60.262%0.62232%0.322SS*.THydrogen-bonded Turntrans54.935-173.6-52.9-178.3179.9-1770112.8A991 I992A991-K995 PolarHBondContact O-N 2.86Å; A991-K995 VanDerWaalsContact O-N 3.12Å; I992-K995 PolarHBondContact O-N 3.06Å
996I87.1Confident79.2Confident3 Ų360.6 Ų60.62%0.01533%0.328CS..  trans-106.8-3.4178.665-177.6000113.2A991 F994 L1013 N1014 Q1015 L1016 F1269A991-I996 HydrophobicContact CB-CG1 3.91Å; A991-I996 WeakPolarHBondContact O-CG1 3.3Å; A991-I996 PolarHBondContact O-N 2.82Å; F994-I996 HydrophobicContact CB-CD1 3.96Å; F994-I996 HydrophobicContact CB-CG1 3.93Å; F994-I996 HydrophobicContact CB-CG2 4.1Å; F994-I996 HydrophobicContact CD2-CD1 4.38Å; F994-I996 PolarHBondContact O-N 3.43Å; I996-L1013 WeakPolarHBondContact CB-O 3.28Å; I996-L1013 PolarHBondContact O-N 2.96Å; I996-N1014 HydrophobicContact CG2-CB 4.3Å; I996-Q1015 HydrophobicContact CG2-CB 4.46Å; I996-L1016 HydrophobicContact CB-CB 4.03Å; I996-L1016 HydrophobicContact CD1-CB 4.14Å; I996-L1016 HydrophobicContact CG1-CB 4.06Å; I996-L1016 HydrophobicContact CG1-CD2 4.36Å; I996-L1016 WeakPolarHBondContact O-CB 3.48Å; I996-F1269 HydrophobicContact CD1-CE1 3.94Å; I996-F1269 HydrophobicContact CD1-CZ 4.29Å
997L89.1Confident78.6Confident9 Ų966.8 Ų66.85%0.04736%0.355CS..EExtended strand (participates in β ladder)trans-134.7137.1171.5175.167.7000109.3E988 A991 T999 Y1010 F1011 L1012 L1016 I1121E988-L997 HydrophobicContact CG-CD2 4.35Å; A991-L997 HydrophobicContact CB-CB 3.3Å; A991-L997 HydrophobicContact CB-CD2 3.87Å; A991-L997 HydrophobicContact CB-CG 4.23Å; A991-L997 PolarHBondContact O-N 3.33Å; L997-T999 HydrophobicContact CD1-CG2 3.99Å; L997-T999 HydrophobicContact CD2-CG2 3.98Å; L997-T999 HydrophobicContact CG-CG2 3.89Å; L997-Y1010 HydrophobicContact CD1-CD2 4.41Å; L997-F1011 WeakPolarHBondContact CA-O 3.07Å; L997-L1012 HydrophobicContact CD1-CD2 3.69Å; L997-L1016 HydrophobicContact CB-CD2 3.96Å; L997-L1016 HydrophobicContact CD1-CD2 4.45Å; L997-I1121 HydrophobicContact CD1-CG2 3.69Å; L997-I1121 HydrophobicContact CD2-CG2 4.21Å
998R86.7Confident78.4Confident114 Ų11469.6 Ų69.643%0.4337%0.367SS..EExtended strand (participates in β ladder)trans-127.1118.1171.8-175.8-175.4178.6-170-1.6109.4D1000 Y1010 F1011R998-D1000 WeakPolarHBondContact CD-OD1 3.46Å; R998-D1000 WeakPolarHBondContact CG-OD1 3.49Å; R998-D1000 IonicContact CZ-OD1 2.8Å; R998-D1000 IonicContact NE-OD1 2.74Å; R998-D1000 PolarHBondContact NE-OD1 2.91Å; R998-D1000 IonicContact NH2-OD1 2.61Å; R998-Y1010 CarbonylContact O-C 3.57Å; R998-Y1010 VanDerWaalsContact O-CA 3.26Å; R998-Y1010 WeakPolarHBondContact O-CA 3.24Å; R998-F1011 HydrophobicContact CB-CB 4.21Å; R998-F1011 PolarHBondContact N-O 3.1Å; R998-F1011 PolarHBondContact O-N 3.18Å
999T81.6Confident78.4Confident51 Ų5169.8 Ų69.831%0.31337%0.371SS..  trans-117.5-2.5179.553.30000113.2L997 A1001 I1121L997-T999 HydrophobicContact CD1-CG2 3.99Å; L997-T999 HydrophobicContact CD2-CG2 3.98Å; L997-T999 HydrophobicContact CG-CG2 3.89Å; T999-A1001 PolarHBondContact O-N 2.9Å; T999-A1001 VanDerWaalsContact O-N 3.13Å; T999-I1121 HydrophobicContact CG2-CG2 4.46Å
1000D71.7Confident78.6Confident103 Ų10366.1 Ų66.155%0.55135%0.352SS*.  trans-81.726.6177.368.9-15.9000112.8R998 G1002R998-D1000 WeakPolarHBondContact CD-OD1 3.46Å; R998-D1000 WeakPolarHBondContact CG-OD1 3.49Å; R998-D1000 IonicContact CZ-OD1 2.8Å; R998-D1000 IonicContact NE-OD1 2.74Å; R998-D1000 PolarHBondContact NE-OD1 2.91Å; R998-D1000 IonicContact NH2-OD1 2.61Å; D1000-G1002 PolarHBondContact O-N 3.07Å
1001A62.8Low78.9Confident1 Ų169.3 Ų69.31%0.00837%0.365CS..THydrogen-bonded Turntrans-8211.2-177.300000113.7T999 H1003 T1004 C1005 S1009 F1011T999-A1001 PolarHBondContact O-N 2.9Å; T999-A1001 VanDerWaalsContact O-N 3.13Å; A1001-H1003 PolarHBondContact O-N 3.35Å; A1001-H1003 VanDerWaalsContact O-N 3.14Å; A1001-T1004 PolarHBondContact O-N 2.68Å; A1001-T1004 PolarHBondContact O-OG1 3.5Å; A1001-C1005 PolarHBondContact O-N 2.88Å; A1001-S1009 WeakPolarHBondContact CB-OG 3.44Å; A1001-F1011 HydrophobicContact CB-CD2 4.07Å; A1001-F1011 HydrophobicContact CB-CE2 3.63Å
1002G59.2Low79.1Confident34 Ų3470.5 Ų70.535%0.35137%0.372SS..Hα-helixtrans-53.8-37-176.700000113.9D1000 T1004 G1006D1000-G1002 PolarHBondContact O-N 3.07Å; G1002-T1004 VanDerWaalsContact C-N 3.31Å; G1002-T1004 PolarHBondContact O-N 2.71Å; G1002-G1006 WeakPolarHBondContact O-CA 3.31Å; G1002-G1006 PolarHBondContact O-N 2.98Å
1003H61.9Low79.5Confident189 Ų18969.7 Ų69.788%0.87537%0.368SS*.Hα-helixtrans-75.2-17.1179.4-44.1-55.9000113.9A1001A1001-H1003 PolarHBondContact O-N 3.35Å; A1001-H1003 VanDerWaalsContact O-N 3.14Å
1004T64Low79.9Confident96 Ų9670.6 Ų70.659%0.58937%0.366SS*.Hα-helixtrans-110.7-40-175.355.90000112.9A1001 G1002A1001-T1004 PolarHBondContact O-N 2.68Å; A1001-T1004 PolarHBondContact O-OG1 3.5Å; G1002-T1004 VanDerWaalsContact C-N 3.31Å; G1002-T1004 PolarHBondContact O-N 2.71Å
1005C75.2Confident80.1Confident76 Ų7669.2 Ų69.251%0.51436%0.361SS..Hα-helixtrans-132.77.1-168.8-570000113.3A1001 S1009A1001-C1005 PolarHBondContact O-N 2.88Å; C1005-S1009 WeakPolarHBondContact CB-OG 3.41Å
1006G76.5Confident80.2Confident33 Ų3362.6 Ų62.634%0.3433%0.332SS..  trans84.7165.7-177.700000113.9G1002 S1009G1002-G1006 WeakPolarHBondContact O-CA 3.31Å; G1002-G1006 PolarHBondContact O-N 2.98Å; G1006-S1009 WeakPolarHBondContact O-CB 3.43Å; G1006-S1009 PolarHBondContact O-OG 3.28Å
1007E79Confident80.3Confident157 Ų15763.9 Ų63.973%0.73434%0.343SS*.THydrogen-bonded Turntrans-60.7154.9177.8-64.1-172.5168.300111.6S1009 H1125E1007-S1009 PolarHBondContact O-N 2.53Å; E1007-H1125 PolarHBondContact O-CD2 3.45Å; E1007-H1125 PolarHBondContact O-NE2 2.85Å
1008K82.3Confident80.1Confident61 Ų6167.6 Ų67.627%0.26536%0.362SS..THydrogen-bonded Turntrans60.26.8-178.3-51.3176.2178.51760115.6E1111 V1124K1008-E1111 PolarHBondContact NZ-O 2.9Å; K1008-V1124 WeakPolarHBondContact O-CB 3.44Å; K1008-V1124 WeakPolarHBondContact O-CG1 3.24Å
1009S87Confident80Confident24 Ų2462.8 Ų62.817%0.16835%0.345CS..  trans-76.8152.7165.866.20000110.7A1001 C1005 G1006 E1007A1001-S1009 WeakPolarHBondContact CB-OG 3.44Å; C1005-S1009 WeakPolarHBondContact CB-OG 3.41Å; G1006-S1009 WeakPolarHBondContact O-CB 3.43Å; G1006-S1009 PolarHBondContact O-OG 3.28Å; E1007-S1009 PolarHBondContact O-N 2.53Å
1010Y90.3Very high80.4Confident39 Ų3962 Ų6215%0.15334%0.338CS..  trans-149.5156.5-179.262.3-81000111.8L997 R998 L1012 I1121 V1124 E1126 F1127 T1238L997-Y1010 HydrophobicContact CD1-CD2 4.41Å; R998-Y1010 CarbonylContact O-C 3.57Å; R998-Y1010 VanDerWaalsContact O-CA 3.26Å; R998-Y1010 WeakPolarHBondContact O-CA 3.24Å; Y1010-L1012 HydrophobicContact CD2-CD2 3.62Å; Y1010-L1012 HydrophobicContact CD2-CG 3.93Å; Y1010-L1012 HydrophobicContact CE2-CD1 4.29Å; Y1010-L1012 HydrophobicContact CE2-CD2 3.87Å; Y1010-L1012 HydrophobicContact CE2-CG 3.87Å; Y1010-I1121 HydrophobicContact CD1-CG2 4.11Å; Y1010-I1121 HydrophobicContact CD2-CG2 3.9Å; Y1010-I1121 HydrophobicContact CE2-CG2 4.48Å; Y1010-I1121 HydrophobicContact CG-CG2 3.69Å; Y1010-V1124 HydrophobicContact CD1-CB 4.1Å; Y1010-V1124 HydrophobicContact CD1-CG1 3.79Å; Y1010-V1124 HydrophobicContact CD1-CG2 4.36Å; Y1010-V1124 HydrophobicContact CE1-CB 3.78Å; Y1010-V1124 HydrophobicContact CE1-CG1 3.88Å; Y1010-V1124 HydrophobicContact CE1-CG2 3.6Å; Y1010-E1126 WeakPolarHBondContact CE1-O 3.42Å; Y1010-E1126 VanDerWaalsContact CZ-O 3.3Å; Y1010-E1126 PolarHBondContact OH-O 3.26Å; Y1010-F1127 WeakPolarHBondContact OH-CA 3.26Å; Y1010-T1238 HydrophobicContact CE1-CG2 4.48Å; Y1010-T1238 HydrophobicContact CE2-CG2 4.23Å; Y1010-T1238 VanDerWaalsContact OH-CG2 3.27Å; Y1010-T1238 WeakPolarHBondContact OH-CG2 3.46Å
1011F90.5Very high81.2Confident86 Ų8661.5 Ų61.538%0.37734%0.338SS..EExtended strand (participates in β ladder)trans-118.7126.1167.7-62-93.4000109.4L997 R998 A1001 L1013L997-F1011 WeakPolarHBondContact CA-O 3.07Å; R998-F1011 HydrophobicContact CB-CB 4.21Å; R998-F1011 PolarHBondContact N-O 3.1Å; R998-F1011 PolarHBondContact O-N 3.18Å; A1001-F1011 HydrophobicContact CB-CD2 4.07Å; A1001-F1011 HydrophobicContact CB-CE2 3.63Å; F1011-L1013 HydrophobicContact CB-CD2 4.4Å
1012L91.1Very high82.3Confident25 Ų2561.8 Ų61.813%0.13134%0.341CS..EExtended strand (participates in β ladder)trans-86.9129.1165.2-51-174000108.2L997 Y1010 L1016 A1017 E1020 L1241L997-L1012 HydrophobicContact CD1-CD2 3.69Å; Y1010-L1012 HydrophobicContact CD2-CD2 3.62Å; Y1010-L1012 HydrophobicContact CD2-CG 3.93Å; Y1010-L1012 HydrophobicContact CE2-CD1 4.29Å; Y1010-L1012 HydrophobicContact CE2-CD2 3.87Å; Y1010-L1012 HydrophobicContact CE2-CG 3.87Å; L1012-L1016 HydrophobicContact CB-CB 4.42Å; L1012-L1016 HydrophobicContact CB-CG 4.41Å; L1012-L1016 HydrophobicContact CD1-CG 4.47Å; L1012-L1016 HydrophobicContact CD2-CD2 3.63Å; L1012-L1016 HydrophobicContact CD2-CG 3.92Å; L1012-L1016 HydrophobicContact CG-CG 4.49Å; L1012-A1017 HydrophobicContact CB-CB 4.14Å; L1012-E1020 HydrophobicContact CD1-CB 4.03Å; L1012-L1241 HydrophobicContact CD1-CD1 3.91Å
1013L90.3Very high83.7Confident72 Ų7260.2 Ų60.238%0.37732%0.324SS..  trans-119.2147.8-177.9-56.1170.7000109.8I996 F1011 Q1015 L1016I996-L1013 WeakPolarHBondContact CB-O 3.28Å; I996-L1013 PolarHBondContact O-N 2.96Å; F1011-L1013 HydrophobicContact CB-CD2 4.4Å; L1013-Q1015 PolarHBondContact O-N 3.35Å; L1013-Q1015 VanDerWaalsContact O-N 3.14Å; L1013-L1016 PolarHBondContact O-N 2.89Å; L1013-L1016 VanDerWaalsContact O-N 3.16Å
1014N89Confident85.2Confident101 Ų10153 Ų5354%0.5429%0.291SS..THydrogen-bonded Turntrans47.8-116.2172.4-57.4-43.3000113.4I996 L1016 A1017 I1018I996-N1014 HydrophobicContact CG2-CB 4.3Å; N1014-L1016 VanDerWaalsContact C-N 3.26Å; N1014-L1016 PolarHBondContact O-N 3.19Å; N1014-A1017 PolarHBondContact O-N 3.03Å; N1014-I1018 WeakPolarHBondContact O-CG1 3.25Å; N1014-I1018 PolarHBondContact O-N 3.15Å
1015Q82.5Confident86.4Confident37 Ų3754.6 Ų54.617%0.17329%0.291CS..Hα-helixtrans-60.1-35.3-173.2-72.658.652.800112.3I996 L1013 I1018 L1019 W1266I996-Q1015 HydrophobicContact CG2-CB 4.46Å; L1013-Q1015 PolarHBondContact O-N 3.35Å; L1013-Q1015 VanDerWaalsContact O-N 3.14Å; Q1015-I1018 PolarHBondContact O-N 3.34Å; Q1015-L1019 WeakPolarHBondContact O-CB 3.39Å; Q1015-L1019 PolarHBondContact O-N 2.82Å; Q1015-W1266 VanDerWaalsContact CD-CH2 3.41Å; Q1015-W1266 VanDerWaalsContact CD-CZ3 3.5Å; Q1015-W1266 HydrophobicContact CG-CZ3 4.4Å
1016L86.2Confident87Confident3 Ų352.2 Ų52.22%0.01627%0.271CS..Hα-helixtrans-73.5-36.2-177.8-163.257.2000111.5A991 I996 L997 L1012 L1013 N1014 L1019 E1020 L1241 M1245A991-L1016 HydrophobicContact CB-CD2 4.04Å; I996-L1016 HydrophobicContact CB-CB 4.03Å; I996-L1016 HydrophobicContact CD1-CB 4.14Å; I996-L1016 HydrophobicContact CG1-CB 4.06Å; I996-L1016 HydrophobicContact CG1-CD2 4.36Å; I996-L1016 WeakPolarHBondContact O-CB 3.48Å; L997-L1016 HydrophobicContact CB-CD2 3.96Å; L997-L1016 HydrophobicContact CD1-CD2 4.45Å; L1012-L1016 HydrophobicContact CB-CB 4.42Å; L1012-L1016 HydrophobicContact CB-CG 4.41Å; L1012-L1016 HydrophobicContact CD1-CG 4.47Å; L1012-L1016 HydrophobicContact CD2-CD2 3.63Å; L1012-L1016 HydrophobicContact CD2-CG 3.92Å; L1012-L1016 HydrophobicContact CG-CG 4.49Å; L1013-L1016 PolarHBondContact O-N 2.89Å; L1013-L1016 VanDerWaalsContact O-N 3.16Å; N1014-L1016 VanDerWaalsContact C-N 3.26Å; N1014-L1016 PolarHBondContact O-N 3.19Å; L1016-L1019 PolarHBondContact O-N 3.36Å; L1016-E1020 PolarHBondContact O-N 3.38Å; L1016-L1241 HydrophobicContact CD1-CD1 4.25Å; L1016-L1241 HydrophobicContact CD1-CD2 4.04Å; L1016-M1245 HydrophobicContact CD1-SD 3.68Å
1017A89.1Confident87.7Confident31 Ų3150.7 Ų50.726%0.25626%0.256SS..Hα-helixtrans-67.5-37.9171.800000112.4L1012 N1014 L1019 E1020 T1021L1012-A1017 HydrophobicContact CB-CB 4.14Å; N1014-A1017 PolarHBondContact O-N 3.03Å; A1017-L1019 VanDerWaalsContact C-N 3.32Å; A1017-E1020 PolarHBondContact O-N 3.16Å; A1017-T1021 PolarHBondContact O-N 3.42Å; A1017-T1021 VanDerWaalsContact O-N 3.16Å; A1017-T1021 PolarHBondContact O-OG1 3.13Å; A1017-T1021 VanDerWaalsContact O-OG1 3.12Å
1018I84.8Confident88.3Confident87 Ų8743.9 Ų43.945%0.44623%0.225SC..Hα-helixtrans-63.4-41173-66.6166.8000110.4N1014 Q1015 T1021 A1022N1014-I1018 WeakPolarHBondContact O-CG1 3.25Å; N1014-I1018 PolarHBondContact O-N 3.15Å; Q1015-I1018 PolarHBondContact O-N 3.34Å; I1018-T1021 PolarHBondContact O-N 2.94Å; I1018-A1022 WeakPolarHBondContact O-CB 3.2Å; I1018-A1022 PolarHBondContact O-N 3.36Å
1019L84.3Confident88.5Confident12 Ų1244 Ų446%0.06323%0.233CC..Hα-helixtrans-67.3-39.1179.8-170.959.7000112.3Q1015 L1016 A1017 A1022 L1023 L1241 L1276 I1280Q1015-L1019 WeakPolarHBondContact O-CB 3.39Å; Q1015-L1019 PolarHBondContact O-N 2.82Å; L1016-L1019 PolarHBondContact O-N 3.36Å; A1017-L1019 VanDerWaalsContact C-N 3.32Å; L1019-A1022 PolarHBondContact O-N 3Å; L1019-L1023 WeakPolarHBondContact O-CG 3.33Å; L1019-L1023 PolarHBondContact O-N 3.17Å; L1019-L1241 HydrophobicContact CB-CD2 3.99Å; L1019-L1241 HydrophobicContact CD2-CD2 3.53Å; L1019-L1241 HydrophobicContact CG-CD2 3.52Å; L1019-L1276 HydrophobicContact CD1-CD2 4.04Å; L1019-L1276 HydrophobicContact CD2-CD2 4.26Å; L1019-I1280 HydrophobicContact CD1-CD1 3.85Å
1020E91.6Very high88.8Confident36 Ų3644.8 Ų44.817%0.16823%0.233CC..Hα-helixtrans-54.8-52169.4160.5166.8-126.200111L1012 L1016 A1017 A1022 L1023 I1024 T1128 I1237 L1241L1012-E1020 HydrophobicContact CD1-CB 4.03Å; L1016-E1020 PolarHBondContact O-N 3.38Å; A1017-E1020 PolarHBondContact O-N 3.16Å; E1020-A1022 VanDerWaalsContact C-N 3.26Å; E1020-A1022 PolarHBondContact O-N 3.11Å; E1020-L1023 PolarHBondContact O-N 3.37Å; E1020-I1024 HydrophobicContact CG-CD1 3.98Å; E1020-I1024 WeakPolarHBondContact O-CG1 3.46Å; E1020-I1024 PolarHBondContact O-N 3.18Å; E1020-I1024 VanDerWaalsContact O-N 3.12Å; E1020-T1128 WeakPolarHBondContact OE1-CB 3.34Å; E1020-T1128 PolarHBondContact OE1-OG1 3.07Å; E1020-I1237 HydrophobicContact CB-CG2 4.05Å; E1020-I1237 HydrophobicContact CG-CG2 3.92Å; E1020-L1241 HydrophobicContact CB-CD1 4.44Å
1021T88.5Confident89Confident92 Ų9242.9 Ų42.956%0.56423%0.226SC*.Hα-helixtrans-60.6-39-179.9-55.70000111.5A1017 I1018 K1025A1017-T1021 PolarHBondContact O-N 3.42Å; A1017-T1021 VanDerWaalsContact O-N 3.16Å; A1017-T1021 PolarHBondContact O-OG1 3.13Å; A1017-T1021 VanDerWaalsContact O-OG1 3.12Å; I1018-T1021 PolarHBondContact O-N 2.94Å; T1021-K1025 WeakPolarHBondContact O-CB 3.36Å; T1021-K1025 PolarHBondContact O-N 3.3Å
1022A85.9Confident89.2Confident7 Ų745.6 Ų45.66%0.05823%0.233CC..Hα-helixtrans-66.4-42.8179.100000112.2I1018 L1019 E1020 K1025 F1026 H1277 I1280I1018-A1022 WeakPolarHBondContact O-CB 3.2Å; I1018-A1022 PolarHBondContact O-N 3.36Å; L1019-A1022 PolarHBondContact O-N 3Å; E1020-A1022 VanDerWaalsContact C-N 3.26Å; E1020-A1022 PolarHBondContact O-N 3.11Å; A1022-K1025 PolarHBondContact O-N 2.92Å; A1022-F1026 WeakPolarHBondContact O-CB 3.48Å; A1022-F1026 PolarHBondContact O-N 3.43Å; A1022-H1277 WeakPolarHBondContact CB-ND1 3.45Å; A1022-I1280 HydrophobicContact CB-CG2 3.94Å; A1022-I1280 WeakPolarHBondContact O-CG2 3.29Å
1023L87.8Confident89.3Confident0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-62.2-43.4176.6-75.1171.2000112L1019 E1020 K1025 F1026 C1027 L1162 I1237 T1240 L1241 L1244 I1280L1019-L1023 WeakPolarHBondContact O-CG 3.33Å; L1019-L1023 PolarHBondContact O-N 3.17Å; E1020-L1023 PolarHBondContact O-N 3.37Å; L1023-K1025 VanDerWaalsContact C-N 3.33Å; L1023-K1025 PolarHBondContact O-N 3.06Å; L1023-F1026 PolarHBondContact O-N 2.69Å; L1023-C1027 PolarHBondContact O-N 3.3Å; L1023-C1027 PolarHBondContact O-SG 2.97Å; L1023-C1027 VanDerWaalsContact O-SG 3.39Å; L1023-L1162 HydrophobicContact CD2-CD1 4Å; L1023-L1162 HydrophobicContact CD2-CD2 4.01Å; L1023-I1237 HydrophobicContact CB-CD1 3.8Å; L1023-I1237 HydrophobicContact CD1-CG2 4.46Å; L1023-T1240 HydrophobicContact CD1-CG2 4.35Å; L1023-T1240 HydrophobicContact CD2-CG2 4.46Å; L1023-L1241 HydrophobicContact CD1-CD2 3.61Å; L1023-L1241 HydrophobicContact CD1-CG 4Å; L1023-L1244 HydrophobicContact CD1-CD1 3.87Å; L1023-L1244 HydrophobicContact CD2-CD1 3.71Å; L1023-L1244 HydrophobicContact CG-CD1 4.29Å; L1023-I1280 HydrophobicContact CD2-CD1 3.98Å
1024I92.6Very high89.5Confident37 Ų3749.4 Ų49.419%0.1926%0.26CS..Hα-helixtrans-58.5-48.4174.7-65.1165.1000110E1020 F1026 C1027 T1028 V1104 T1128 I1237E1020-I1024 HydrophobicContact CG-CD1 3.98Å; E1020-I1024 WeakPolarHBondContact O-CG1 3.46Å; E1020-I1024 PolarHBondContact O-N 3.18Å; E1020-I1024 VanDerWaalsContact O-N 3.12Å; I1024-F1026 VanDerWaalsContact C-N 3.33Å; I1024-F1026 PolarHBondContact O-N 3.34Å; I1024-C1027 PolarHBondContact O-N 3.44Å; I1024-T1028 HydrophobicContact CG2-CG2 4.23Å; I1024-T1028 WeakPolarHBondContact O-CB 3.12Å; I1024-T1028 WeakPolarHBondContact O-CG2 3.36Å; I1024-T1028 PolarHBondContact O-N 2.89Å; I1024-T1028 PolarHBondContact O-OG1 2.98Å; I1024-V1104 HydrophobicContact CD1-CG1 4.34Å; I1024-V1104 HydrophobicContact CG1-CG1 4.34Å; I1024-V1104 HydrophobicContact CG2-CB 4.41Å; I1024-V1104 HydrophobicContact CG2-CG1 3.74Å; I1024-V1104 HydrophobicContact CG2-CG2 3.86Å; I1024-T1128 HydrophobicContact CD1-CG2 3.75Å; I1024-T1128 HydrophobicContact CG1-CG2 4.19Å; I1024-I1237 HydrophobicContact CG1-CD1 3.77Å; I1024-I1237 HydrophobicContact CG1-CG1 4.14Å
1025K89.1Confident89.7Confident131 Ų13147.1 Ų47.157%0.5726%0.26SS*.Hα-helixtrans-62.9-39.7-179.8-168.2177.7180-174.80112.3T1021 A1022 L1023 T1028 S1029T1021-K1025 WeakPolarHBondContact O-CB 3.36Å; T1021-K1025 PolarHBondContact O-N 3.3Å; A1022-K1025 PolarHBondContact O-N 2.92Å; L1023-K1025 VanDerWaalsContact C-N 3.33Å; L1023-K1025 PolarHBondContact O-N 3.06Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.13Å; K1025-T1028 PolarHBondContact O-OG1 2.9Å; K1025-S1029 VanDerWaalsContact O-CB 3.25Å; K1025-S1029 WeakPolarHBondContact O-CB 3.45Å; K1025-S1029 PolarHBondContact O-N 3Å; K1025-S1029 PolarHBondContact O-OG 3.42Å
1026F88.8Confident90.4Very high25 Ų2545.7 Ų45.711%0.1125%0.253CS..Hα-helixtrans-61.3-51.1175.8166.7-102.7000111.8A1022 L1023 I1024 T1028 S1029 Y1030 L1158 R1161 L1162 I1280A1022-F1026 WeakPolarHBondContact O-CB 3.48Å; A1022-F1026 PolarHBondContact O-N 3.43Å; L1023-F1026 PolarHBondContact O-N 2.69Å; I1024-F1026 VanDerWaalsContact C-N 3.33Å; I1024-F1026 PolarHBondContact O-N 3.34Å; F1026-T1028 PolarHBondContact O-N 3.23Å; F1026-S1029 PolarHBondContact O-N 2.82Å; F1026-Y1030 WeakPolarHBondContact O-CB 3.46Å; F1026-Y1030 PolarHBondContact O-N 2.94Å; F1026-L1158 HydrophobicContact CD1-CD2 4.2Å; F1026-L1158 HydrophobicContact CE1-CB 4.43Å; F1026-L1158 HydrophobicContact CE1-CD2 3.55Å; F1026-L1158 HydrophobicContact CZ-CD2 3.97Å; F1026-R1161 HydrophobicContact CE2-CB 4.34Å; F1026-R1161 HydrophobicContact CZ-CB 3.83Å; F1026-L1162 HydrophobicContact CD1-CD2 4.36Å; F1026-L1162 HydrophobicContact CE1-CD1 4.29Å; F1026-L1162 HydrophobicContact CE1-CD2 4.1Å; F1026-L1162 HydrophobicContact CE1-CG 3.99Å; F1026-L1162 HydrophobicContact CZ-CD2 4.47Å; F1026-L1162 HydrophobicContact CZ-CG 4.43Å; F1026-I1280 HydrophobicContact CB-CG2 3.55Å; F1026-I1280 HydrophobicContact CD2-CG2 4.48Å; F1026-I1280 HydrophobicContact CG-CG2 4.15Å
1027C92Very high90.9Very high2 Ų249.4 Ų49.41%0.01428%0.276CS..Hα-helixtrans-60.8-47.2177.1-66.10000111.8L1023 I1024 S1029 Y1030 L1031 V1130 C1235L1023-C1027 PolarHBondContact O-N 3.3Å; L1023-C1027 PolarHBondContact O-SG 2.97Å; L1023-C1027 VanDerWaalsContact O-SG 3.39Å; I1024-C1027 PolarHBondContact O-N 3.44Å; C1027-S1029 VanDerWaalsContact C-N 3.35Å; C1027-S1029 PolarHBondContact O-N 3.19Å; C1027-Y1030 PolarHBondContact O-N 3.35Å; C1027-L1031 VanDerWaalsContact O-CG 3.28Å; C1027-L1031 WeakPolarHBondContact O-CG 3.23Å; C1027-L1031 PolarHBondContact O-N 3.06Å; C1027-V1130 HydrophobicContact CB-CB 4.31Å; C1027-V1130 HydrophobicContact CB-CG1 4.14Å; C1027-V1130 HydrophobicContact CB-CG2 4.07Å; C1027-C1235 WeakPolarHBondContact SG-CB 3.27Å
1028T90.3Very high91.3Very high13 Ų1351.3 Ų51.38%0.0828%0.279CS..Hα-helixtrans-64-38.8-178.857.70000112.6I1024 K1025 F1026 Y1030 R1032 F1102 V1104I1024-T1028 HydrophobicContact CG2-CG2 4.23Å; I1024-T1028 WeakPolarHBondContact O-CB 3.12Å; I1024-T1028 WeakPolarHBondContact O-CG2 3.36Å; I1024-T1028 PolarHBondContact O-N 2.89Å; I1024-T1028 PolarHBondContact O-OG1 2.98Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.13Å; K1025-T1028 PolarHBondContact O-OG1 2.9Å; F1026-T1028 PolarHBondContact O-N 3.23Å; T1028-Y1030 VanDerWaalsContact C-N 3.32Å; T1028-R1032 WeakPolarHBondContact O-CG 3.38Å; T1028-R1032 PolarHBondContact O-N 3.25Å; T1028-F1102 HydrophobicContact CG2-CD2 4.48Å; T1028-F1102 HydrophobicContact CG2-CE2 3.55Å; T1028-F1102 HydrophobicContact CG2-CZ 4.27Å; T1028-V1104 HydrophobicContact CG2-CG2 3.62Å
1029S87.4Confident91.8Very high64 Ų6448.3 Ų48.345%0.44827%0.265SS..Hα-helixtrans-70.9-28.5177.3-54.50000112.4K1025 F1026 C1027 P1033K1025-S1029 VanDerWaalsContact O-CB 3.25Å; K1025-S1029 WeakPolarHBondContact O-CB 3.45Å; K1025-S1029 PolarHBondContact O-N 3Å; K1025-S1029 PolarHBondContact O-OG 3.42Å; F1026-S1029 PolarHBondContact O-N 2.82Å; C1027-S1029 VanDerWaalsContact C-N 3.35Å; C1027-S1029 PolarHBondContact O-N 3.19Å; S1029-P1033 WeakPolarHBondContact O-CD 3.25Å
1030Y92.1Very high92.3Very high40 Ų4053.9 Ų53.916%0.15730%0.3CS..Hα-helixtrans-74.7-39.3175.5-163.7-101.2000113.1F1026 C1027 T1028 P1033 L1034 I1154 Q1157 L1158 R1161F1026-Y1030 WeakPolarHBondContact O-CB 3.46Å; F1026-Y1030 PolarHBondContact O-N 2.94Å; C1027-Y1030 PolarHBondContact O-N 3.35Å; T1028-Y1030 VanDerWaalsContact C-N 3.32Å; Y1030-P1033 WeakPolarHBondContact O-CD 3.46Å; Y1030-L1034 HydrophobicContact CD1-CD1 4.08Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.84Å; Y1030-I1154 HydrophobicContact CD1-CG2 4.32Å; Y1030-I1154 HydrophobicContact CE1-CG2 4.23Å; Y1030-Q1157 HydrophobicContact CE1-CB 4.33Å; Y1030-Q1157 WeakPolarHBondContact OH-CB 3.24Å; Y1030-Q1157 PolarHBondContact OH-OE1 3.34Å; Y1030-L1158 HydrophobicContact CD1-CD2 3.61Å; Y1030-L1158 HydrophobicContact CD1-CG 3.96Å; Y1030-L1158 HydrophobicContact CD2-CD2 4.48Å; Y1030-L1158 HydrophobicContact CE1-CD2 4.37Å; Y1030-L1158 HydrophobicContact CE1-CG 4.37Å; Y1030-L1158 HydrophobicContact CG-CD2 3.68Å; Y1030-R1161 VanDerWaalsContact CE2-NE 3.31Å
1031L96.1Very high92.5Very high0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-78.1-38.5-172.6-67.7173.4000113.7C1027 L1034 F1036 F1102 V1130 M1132 I1154 A1234C1027-L1031 VanDerWaalsContact O-CG 3.28Å; C1027-L1031 WeakPolarHBondContact O-CG 3.23Å; C1027-L1031 PolarHBondContact O-N 3.06Å; L1031-L1034 WeakPolarHBondContact O-CB 3.01Å; L1031-L1034 PolarHBondContact O-N 2.89Å; L1031-F1036 HydrophobicContact CB-CB 4.28Å; L1031-F1102 HydrophobicContact CB-CD1 4.1Å; L1031-F1102 HydrophobicContact CB-CE1 4.15Å; L1031-F1102 HydrophobicContact CB-CG 4.27Å; L1031-F1102 HydrophobicContact CB-CZ 4.45Å; L1031-F1102 HydrophobicContact CD1-CB 3.87Å; L1031-F1102 HydrophobicContact CD1-CD1 4.45Å; L1031-F1102 HydrophobicContact CD1-CD2 3.85Å; L1031-F1102 HydrophobicContact CD1-CE2 4.49Å; L1031-F1102 HydrophobicContact CD1-CG 3.79Å; L1031-V1130 HydrophobicContact CD1-CG1 4.07Å; L1031-M1132 HydrophobicContact CD1-CG 3.99Å; L1031-M1132 HydrophobicContact CD1-SD 4.43Å; L1031-M1132 HydrophobicContact CD2-CG 4.02Å; L1031-M1132 HydrophobicContact CD2-SD 3.42Å; L1031-M1132 WeakPolarHBondContact CD2-SD 3.45Å; L1031-I1154 HydrophobicContact CD2-CG2 3.7Å; L1031-A1234 HydrophobicContact CD1-CB 3.97Å
1032R93.2Very high92.7Very high143 Ų14352.1 Ų52.154%0.5429%0.292SS..G310 helixtrans-57-46.7-176.4-69.6173.1-176.2175.1-1.8113.3T1028 L1034 G1035 Q1038 F1102T1028-R1032 WeakPolarHBondContact O-CG 3.38Å; T1028-R1032 PolarHBondContact O-N 3.25Å; R1032-L1034 PolarHBondContact O-N 2.83Å; R1032-G1035 PolarHBondContact O-N 3.2Å; R1032-G1035 VanDerWaalsContact O-N 3.13Å; R1032-Q1038 VanDerWaalsContact CZ-OE1 3.26Å; R1032-F1102 HydrophobicContact CG-CE1 3.7Å; R1032-F1102 HydrophobicContact CG-CZ 3.76Å
1033P93.9Very high93Very high108 Ų10854 Ų5470%0.70130%0.302SS*.G310 helixtrans-63.9-19.5178-22.334.9000114.3S1029 Y1030 G1035S1029-P1033 WeakPolarHBondContact O-CD 3.25Å; Y1030-P1033 WeakPolarHBondContact O-CD 3.46Å; P1033-G1035 PolarHBondContact O-N 3.49Å
1034L95.3Very high93.4Very high69 Ų6956.9 Ų56.936%0.36132%0.319SS..G310 helixtrans-83.89.2177.4-58178.6000113.1Y1030 L1031 R1032 F1036 I1154Y1030-L1034 HydrophobicContact CD1-CD1 4.08Å; Y1030-L1034 HydrophobicContact CE1-CD1 3.84Å; L1031-L1034 WeakPolarHBondContact O-CB 3.01Å; L1031-L1034 PolarHBondContact O-N 2.89Å; R1032-L1034 PolarHBondContact O-N 2.83Å; L1034-F1036 HydrophobicContact CB-CD2 4.15Å; L1034-I1154 HydrophobicContact CD1-CD1 3.84Å; L1034-I1154 HydrophobicContact CD1-CG1 3.83Å; L1034-I1154 HydrophobicContact CD1-CG2 4.49Å
1035G92.4Very high93.4Very high53 Ų5355.3 Ų55.355%0.54631%0.311SS..THydrogen-bonded Turntrans83.510.9177.400000114.4R1032 P1033R1032-G1035 PolarHBondContact O-N 3.2Å; R1032-G1035 VanDerWaalsContact O-N 3.13Å; P1033-G1035 PolarHBondContact O-N 3.49Å
1036F97.2Very high93.4Very high7 Ų750.4 Ų50.43%0.03129%0.293CS..PPolyproline II helixtrans-78.5129.6171.2-76.6-101.8000110.9L1031 L1034 K1100 Y1101 F1102 M1132 I1151 I1154L1031-F1036 HydrophobicContact CB-CB 4.28Å; L1034-F1036 HydrophobicContact CB-CD2 4.15Å; F1036-K1100 HydrophobicContact CB-CB 4.45Å; F1036-K1100 HydrophobicContact CD1-CB 3.66Å; F1036-K1100 HydrophobicContact CD2-CB 4.2Å; F1036-K1100 HydrophobicContact CD2-CD 4.2Å; F1036-K1100 HydrophobicContact CE1-CB 3.82Å; F1036-K1100 HydrophobicContact CE1-CG 4.32Å; F1036-K1100 HydrophobicContact CE2-CB 4.35Å; F1036-K1100 HydrophobicContact CE2-CD 3.87Å; F1036-K1100 HydrophobicContact CE2-CG 4.5Å; F1036-K1100 HydrophobicContact CG-CB 3.85Å; F1036-K1100 HydrophobicContact CZ-CB 4.17Å; F1036-K1100 HydrophobicContact CZ-CD 4.06Å; F1036-K1100 HydrophobicContact CZ-CG 4.28Å; F1036-Y1101 WeakPolarHBondContact CD1-O 3.41Å; F1036-F1102 HydrophobicContact CB-CD1 3.69Å; F1036-F1102 HydrophobicContact CB-CE1 4.34Å; F1036-F1102 HydrophobicContact CD1-CB 4.36Å; F1036-M1132 HydrophobicContact CD1-CB 4.46Å; F1036-M1132 HydrophobicContact CD1-CG 4.37Å; F1036-M1132 HydrophobicContact CE1-CB 3.8Å; F1036-M1132 HydrophobicContact CE1-CG 3.95Å; F1036-M1132 HydrophobicContact CE1-SD 4.15Å; F1036-M1132 HydrophobicContact CZ-CB 4.44Å; F1036-M1132 HydrophobicContact CZ-CG 4.41Å; F1036-M1132 HydrophobicContact CZ-SD 3.99Å; F1036-I1151 HydrophobicContact CZ-CG1 4.35Å; F1036-I1154 HydrophobicContact CE2-CD1 3.65Å; F1036-I1154 HydrophobicContact CZ-CD1 4.13Å
1037V96.4Very high93.4Very high81 Ų8152.3 Ų52.349%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-85.4121.9175-179.30000109.2V1039 K1100 Y1101 F1102V1037-V1039 HydrophobicContact CG1-CG1 4.33Å; V1037-V1039 PolarHBondContact O-N 3.01Å; V1037-K1100 PolarHBondContact N-O 3.39Å; V1037-Y1101 HydrophobicContact CB-CD1 3.98Å; V1037-Y1101 HydrophobicContact CB-CE1 4.32Å; V1037-Y1101 HydrophobicContact CG1-CD1 4.4Å; V1037-Y1101 CarbonylContact O-C 3.56Å; V1037-Y1101 VanDerWaalsContact O-CA 3.28Å; V1037-Y1101 WeakPolarHBondContact O-CA 3.45Å; V1037-F1102 PolarHBondContact O-N 3.18Å
1038Q97Very high93.2Very high71 Ų7155.9 Ų55.933%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-71.2130.8172.8-169.2168-19.800110.1R1032 F1102R1032-Q1038 VanDerWaalsContact CZ-OE1 3.26Å; Q1038-F1102 CarbonylContact C-O 3.52Å; Q1038-F1102 VanDerWaalsContact CA-CE1 3.49Å; Q1038-F1102 WeakPolarHBondContact CA-O 3.25Å; Q1038-F1102 HydrophobicContact CB-CD1 4.12Å; Q1038-F1102 HydrophobicContact CB-CE1 3.45Å; Q1038-F1102 VanDerWaalsContact CB-CE1 3.45Å; Q1038-F1102 HydrophobicContact CB-CE2 4Å; Q1038-F1102 HydrophobicContact CB-CZ 3.39Å; Q1038-F1102 HydrophobicContact CG-CD2 4.31Å; Q1038-F1102 HydrophobicContact CG-CE1 4.06Å; Q1038-F1102 HydrophobicContact CG-CE2 3.64Å; Q1038-F1102 HydrophobicContact CG-CZ 3.55Å; Q1038-F1102 VanDerWaalsContact OE1-CZ 3.32Å
1039V95.4Very high93.3Very high24 Ų2455.2 Ų55.215%0.14531%0.308CS..  trans-129145.3172.2-63.30000109.5V1037 V1041 I1083 L1086 Y1101 F1102 S1103V1037-V1039 HydrophobicContact CG1-CG1 4.33Å; V1037-V1039 PolarHBondContact O-N 3.01Å; V1039-V1041 HydrophobicContact CG2-CG1 4.02Å; V1039-I1083 HydrophobicContact CG2-CD1 4.28Å; V1039-I1083 HydrophobicContact CG2-CG1 3.94Å; V1039-L1086 HydrophobicContact CB-CD2 4.48Å; V1039-L1086 HydrophobicContact CG1-CD2 4.04Å; V1039-L1086 HydrophobicContact CG2-CD2 4.5Å; V1039-Y1101 HydrophobicContact CG1-CD1 3.86Å; V1039-Y1101 HydrophobicContact CG1-CE1 4.45Å; V1039-F1102 PolarHBondContact N-O 2.95Å; V1039-S1103 VanDerWaalsContact O-CA 3.32Å; V1039-S1103 WeakPolarHBondContact O-CA 3.32Å; V1039-S1103 WeakPolarHBondContact O-CB 3.46Å; V1039-S1103 PolarHBondContact O-OG 3.36Å; V1039-S1103 VanDerWaalsContact O-OG 3.07Å
1040T96.1Very high93.5Very high128 Ų12852.2 Ų52.279%0.78529%0.287SS*.  trans-99.2135.7165.3-56.10000107
1041V94Very high93.3Very high14 Ų1453.6 Ų53.69%0.08530%0.295CS..  trans-123.9152.7-174.1-59.40000111.2V1039 A1079 I1083V1039-V1041 HydrophobicContact CG2-CG1 4.02Å; V1041-A1079 HydrophobicContact CG2-CB 3.94Å; V1041-I1083 HydrophobicContact CG1-CG1 3.91Å
1042P93.8Very high93Very high77 Ų7754.4 Ų54.450%0.530%0.301SS..  trans-64.9138173.7-18.431.4000111.6L1045P1042-L1045 HydrophobicContact CB-CD2 4.12Å
1043D92.7Very high93Very high47 Ų4747.9 Ų47.925%0.25128%0.277SS..SBendtrans-85.7-21.7172.7-59.9-60.4000112.3L1075 S1076 R1106 Y1108D1043-L1075 CarbonylContact O-C 3.44Å; D1043-L1075 WeakPolarHBondContact O-CA 3.32Å; D1043-S1076 PolarHBondContact O-N 2.99Å; D1043-R1106 VanDerWaalsContact OD1-O 3.11Å; D1043-Y1108 HydrophobicContact CB-CE2 4.14Å
1044V94.7Very high92.8Very high61 Ų6143.4 Ų43.437%0.3725%0.25SS..EExtended strand (participates in β ladder)trans-97.1115.2174178.60000108.4L1067 W1073 T1074 L1075V1044-L1067 HydrophobicContact CG1-CD1 3.69Å; V1044-W1073 HydrophobicContact CG1-CB 4.39Å; V1044-W1073 HydrophobicContact CG1-CE3 3.9Å; V1044-T1074 WeakPolarHBondContact CA-O 3.45Å; V1044-L1075 HydrophobicContact CG2-CD2 3.77Å
1045L92.4Very high92.2Very high3 Ų343 Ų432%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-127.5145.6-173.4-62.3173.7000111.1P1042 I1049 T1074 M1081P1042-L1045 HydrophobicContact CB-CD2 4.12Å; L1045-I1049 HydrophobicContact CD1-CG2 4.17Å; L1045-T1074 PolarHBondContact N-O 2.96Å; L1045-T1074 PolarHBondContact O-N 3.21Å; L1045-T1074 PolarHBondContact O-OG1 3.25Å; L1045-M1081 HydrophobicContact CD1-CB 3.39Å
1046P90.8Very high91.2Very high28 Ų2842.4 Ų42.418%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-64.4139.6171.528.9-33.4000109.4R1048 I1049 P1050 D1072P1046-R1048 HydrophobicContact CB-CG 4.11Å; P1046-R1048 HydrophobicContact CG-CG 4.27Å; P1046-R1048 PolarHBondContact O-N 3.4Å; P1046-I1049 HydrophobicContact CG-CG1 3.91Å; P1046-I1049 WeakPolarHBondContact O-CB 3.5Å; P1046-I1049 PolarHBondContact O-N 3.17Å; P1046-P1050 VanDerWaalsContact O-CD 3.29Å; P1046-P1050 WeakPolarHBondContact O-CD 3.29Å; P1046-D1072 CarbonylContact C-O 3.48Å; P1046-D1072 VanDerWaalsContact CA-O 3.26Å; P1046-D1072 WeakPolarHBondContact CA-O 3.42Å
1047R88.4Confident89.5Confident65 Ų6543.8 Ų43.825%0.24524%0.243CC..THydrogen-bonded Turntrans-52.9-33.9-170.9-171.2-179.3-175.8131.96.4113.5I1049 P1050 E1051 T1057 D1072 T1074R1047-I1049 PolarHBondContact O-N 3.15Å; R1047-I1049 VanDerWaalsContact O-N 3.13Å; R1047-P1050 VanDerWaalsContact O-CD 3.28Å; R1047-P1050 WeakPolarHBondContact O-CD 3.44Å; R1047-E1051 HydrophobicContact CG-CG 4.45Å; R1047-E1051 WeakPolarHBondContact CG-OE1 3.5Å; R1047-E1051 IonicContact NE-OE1 3.43Å; R1047-E1051 PolarHBondContact NE-OE1 3.48Å; R1047-E1051 WeakPolarHBondContact O-CG 3.45Å; R1047-E1051 PolarHBondContact O-N 3.03Å; R1047-T1057 PolarHBondContact NH2-OG1 2.96Å; R1047-D1072 WeakPolarHBondContact CB-O 3.37Å; R1047-D1072 PolarHBondContact N-O 3.35Å; R1047-T1074 HydrophobicContact CB-CG2 4.18Å; R1047-T1074 HydrophobicContact CG-CG2 4.17Å
1048R87.5Confident87.6Confident77 Ų7743.6 Ų43.629%0.29124%0.242SC..Hα-helixtrans-55.2-27.2174.762.1176.4-165.971.1-6.9114.2P878 P1046 S1052 E1088P878-R1048 PolarHBondContact O-NH2 3.35Å; P1046-R1048 HydrophobicContact CB-CG 4.11Å; P1046-R1048 HydrophobicContact CG-CG 4.27Å; P1046-R1048 PolarHBondContact O-N 3.4Å; R1048-S1052 VanDerWaalsContact O-CB 3.3Å; R1048-S1052 WeakPolarHBondContact O-CB 3.28Å; R1048-S1052 PolarHBondContact O-N 3.35Å; R1048-S1052 PolarHBondContact O-OG 3.08Å; R1048-E1088 IonicContact CZ-OE1 3.79Å; R1048-E1088 IonicContact CZ-OE2 3.28Å; R1048-E1088 IonicContact NH1-OE1 2.72Å; R1048-E1088 PolarHBondContact NH1-OE1 3.04Å; R1048-E1088 IonicContact NH1-OE2 2.96Å; R1048-E1088 PolarHBondContact NH1-OE2 3.46Å; R1048-E1088 IonicContact NH2-OE1 2.77Å; R1048-E1088 PolarHBondContact NH2-OE1 3.5Å; R1048-E1088 IonicContact NH2-OE2 2.77Å; R1048-E1088 PolarHBondContact NH2-OE2 3.31Å
1049I92Very high85.8Confident0 Ų043.1 Ų43.10%025%0.247CC..Hα-helixtrans-74.7-55.4-178.9-66.9-66.9000111.6L1045 P1046 R1047 E1051 S1052 C1053 M1081 E1088 L1213L1045-I1049 HydrophobicContact CD1-CG2 4.17Å; P1046-I1049 HydrophobicContact CG-CG1 3.91Å; P1046-I1049 WeakPolarHBondContact O-CB 3.5Å; P1046-I1049 PolarHBondContact O-N 3.17Å; R1047-I1049 PolarHBondContact O-N 3.15Å; R1047-I1049 VanDerWaalsContact O-N 3.13Å; I1049-E1051 PolarHBondContact O-N 2.88Å; I1049-S1052 WeakPolarHBondContact O-CB 3.32Å; I1049-S1052 PolarHBondContact O-N 2.73Å; I1049-S1052 VanDerWaalsContact O-N 3.12Å; I1049-C1053 PolarHBondContact O-N 3.47Å; I1049-C1053 PolarHBondContact O-SG 2.91Å; I1049-M1081 HydrophobicContact CG2-CB 4.23Å; I1049-M1081 WeakPolarHBondContact CG2-O 3.29Å; I1049-E1088 WeakPolarHBondContact CD1-OE2 3.43Å; I1049-L1213 HydrophobicContact CD1-CD2 4.02Å
1050P91.3Very high83.8Confident0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-52.6-40.4169.7-28.833.2000113.7P1046 R1047 C1053 G1054 L1055 L1064 M1081P1046-P1050 VanDerWaalsContact O-CD 3.29Å; P1046-P1050 WeakPolarHBondContact O-CD 3.29Å; R1047-P1050 VanDerWaalsContact O-CD 3.28Å; R1047-P1050 WeakPolarHBondContact O-CD 3.44Å; P1050-C1053 WeakPolarHBondContact O-CB 3.35Å; P1050-C1053 PolarHBondContact O-N 3.09Å; P1050-C1053 VanDerWaalsContact O-N 3.12Å; P1050-G1054 PolarHBondContact O-N 3.06Å; P1050-L1055 HydrophobicContact CB-CB 4.48Å; P1050-L1055 PolarHBondContact O-N 3.01Å; P1050-L1064 HydrophobicContact CB-CD1 3.55Å; P1050-L1064 HydrophobicContact CB-CD2 4.49Å; P1050-L1064 HydrophobicContact CG-CD1 3.99Å; P1050-M1081 HydrophobicContact CB-CE 4.06Å; P1050-M1081 HydrophobicContact CB-SD 4.22Å; P1050-M1081 HydrophobicContact CG-CE 4.44Å; P1050-M1081 HydrophobicContact CG-SD 3.98Å
1051E88.8Confident82Confident70 Ų7051.8 Ų51.833%0.32728%0.276SS..Hα-helixtrans-63.4-41.5176.8-70.4171.8169.700111.7R1047 I1049 C1053 G1054 T1056R1047-E1051 HydrophobicContact CG-CG 4.45Å; R1047-E1051 WeakPolarHBondContact CG-OE1 3.5Å; R1047-E1051 IonicContact NE-OE1 3.43Å; R1047-E1051 PolarHBondContact NE-OE1 3.48Å; R1047-E1051 WeakPolarHBondContact O-CG 3.45Å; R1047-E1051 PolarHBondContact O-N 3.03Å; I1049-E1051 PolarHBondContact O-N 2.88Å; E1051-C1053 PolarHBondContact O-N 3.4Å; E1051-G1054 PolarHBondContact O-N 3.45Å; E1051-T1056 HydrophobicContact CB-CG2 4.3Å; E1051-T1056 HydrophobicContact CG-CG2 4.14Å
1052S90.6Very high80.9Confident17 Ų1755.8 Ų55.812%0.11929%0.294CS..Hα-helixtrans-63-28.2173.8-64.10000113.1R1048 I1049 G1054 R1212R1048-S1052 VanDerWaalsContact O-CB 3.3Å; R1048-S1052 WeakPolarHBondContact O-CB 3.28Å; R1048-S1052 PolarHBondContact O-N 3.35Å; R1048-S1052 PolarHBondContact O-OG 3.08Å; I1049-S1052 WeakPolarHBondContact O-CB 3.32Å; I1049-S1052 PolarHBondContact O-N 2.73Å; I1049-S1052 VanDerWaalsContact O-N 3.12Å; S1052-G1054 VanDerWaalsContact C-N 3.27Å; S1052-R1212 VanDerWaalsContact O-CD 3.28Å; S1052-R1212 WeakPolarHBondContact O-CD 3.45Å
1053C93.1Very high80Confident5 Ų557.4 Ų57.43%0.03429%0.293CS..THydrogen-bonded Turntrans-79.7-6.2173.9-59.80000113.3I1049 P1050 E1051 A1084 P1179 Q1209I1049-C1053 PolarHBondContact O-N 3.47Å; I1049-C1053 PolarHBondContact O-SG 2.91Å; P1050-C1053 WeakPolarHBondContact O-CB 3.35Å; P1050-C1053 PolarHBondContact O-N 3.09Å; P1050-C1053 VanDerWaalsContact O-N 3.12Å; E1051-C1053 PolarHBondContact O-N 3.4Å; C1053-A1084 WeakPolarHBondContact SG-CB 3.42Å; C1053-P1179 WeakPolarHBondContact O-CG 3.49Å; C1053-Q1209 PolarHBondContact O-NE2 3.36Å
1054G88.5Confident79.7Confident14 Ų1455.7 Ų55.714%0.14428%0.284CS..THydrogen-bonded Turntrans98.415.417900000115.3P1050 E1051 S1052P1050-G1054 PolarHBondContact O-N 3.06Å; E1051-G1054 PolarHBondContact O-N 3.45Å; S1052-G1054 VanDerWaalsContact C-N 3.27Å
1055L83Confident79.4Confident62 Ų6256.5 Ų56.533%0.32528%0.281SS..  trans-10267.6178.2-79.8161.7000112.1P1050 M1081P1050-L1055 HydrophobicContact CB-CB 4.48Å; P1050-L1055 PolarHBondContact O-N 3.01Å; L1055-M1081 HydrophobicContact CD1-CE 3.04Å; L1055-M1081 HydrophobicContact CG-CE 4.39Å
1056T71.1Confident79.2Confident40 Ų4058 Ų5825%0.24529%0.292CS..  trans-84133.1171.343.20000111.3E1051E1051-T1056 HydrophobicContact CB-CG2 4.3Å; E1051-T1056 HydrophobicContact CG-CG2 4.14Å
1057T61.5Low79.1Confident36 Ų3659.7 Ų59.722%0.22130%0.299CS..  trans-86105.317131.50000109.7R1047 K1063R1047-T1057 PolarHBondContact NH2-OG1 2.96Å; T1057-K1063 HydrophobicContact CG2-CB 3.92Å; T1057-K1063 HydrophobicContact CG2-CG 4.11Å
1058T57.5Low78.8Confident76 Ų7663.7 Ų63.747%0.46633%0.33SS..  trans-109.6-1179.957.90000112.7V909 L951V909-T1058 HydrophobicContact CG2-CG2 3.85Å; L951-T1058 HydrophobicContact CD2-CG2 3.88Å
1059S59.6Low78.5Confident62 Ų6263.6 Ų63.643%0.43435%0.353SS..SBendtrans-114.9158.1177.559.10000110.6R1061S1059-R1061 PolarHBondContact O-N 3.36Å; S1059-R1061 PolarHBondContact OG-O 2.75Å
1060D52Low78Confident178 Ų17869.1 Ų69.195%0.95238%0.378SS*.SBendtrans-58.3-5.8175.2-57.5-21.8000114.9
1061R59.1Low77.3Confident155 Ų15572.6 Ų72.659%0.58540%0.402SS*.SBendtrans-105.5119.9176.3-61.5-174.6-174.6-175.15.1110.6S1059 K1063 V1112S1059-R1061 PolarHBondContact O-N 3.36Å; S1059-R1061 PolarHBondContact OG-O 2.75Å; R1061-K1063 PolarHBondContact O-N 2.9Å; R1061-V1112 HydrophobicContact CG-CG1 4.49Å; R1061-V1112 PolarHBondContact NH1-O 3.16Å; R1061-V1112 VanDerWaalsContact NH1-O 3.16Å
1062E70.1Confident77Confident99 Ų9974.6 Ų74.646%0.46342%0.415SS..  trans-66.5131.7176.8-64.7-161.7149.200111.6
1063K75.4Confident77Confident110 Ų11079.3 Ų79.348%0.47843%0.431SS..SBendtrans-90.7-8.6175-66.9-179.6-179.61730112.8T1057 R1061 P1110T1057-K1063 HydrophobicContact CG2-CB 3.92Å; T1057-K1063 HydrophobicContact CG2-CG 4.11Å; R1061-K1063 PolarHBondContact O-N 2.9Å; K1063-P1110 WeakPolarHBondContact O-CD 3.1Å
1064L85.8Confident77Confident12 Ų1279.1 Ų79.16%0.06343%0.43CS..SBendtrans-129.4150.9-178-64.7169.4000109P1050 T1074 M1081P1050-L1064 HydrophobicContact CB-CD1 3.55Å; P1050-L1064 HydrophobicContact CB-CD2 4.49Å; P1050-L1064 HydrophobicContact CG-CD1 3.99Å; L1064-T1074 HydrophobicContact CB-CG2 4.42Å; L1064-T1074 HydrophobicContact CD1-CG2 4.42Å; L1064-M1081 HydrophobicContact CD2-CE 4.06Å
1065Y90.1Very high77.2Confident77 Ų7780.1 Ų80.130%0.30243%0.431SS..PPolyproline II helixtrans-83.2125.4166.8-75.9-72.8000109.3T1074 L1075 R1109 P1110 H1125Y1065-T1074 CarbonylContact O-C 3.46Å; Y1065-T1074 WeakPolarHBondContact O-CA 3.48Å; Y1065-L1075 PolarHBondContact O-N 3.47Å; Y1065-R1109 WeakPolarHBondContact CE2-O 3.02Å; Y1065-P1110 HydrophobicContact CD1-CG 4.32Å; Y1065-P1110 HydrophobicContact CD2-CG 3.98Å; Y1065-P1110 HydrophobicContact CE1-CB 4.48Å; Y1065-P1110 HydrophobicContact CE1-CG 4.34Å; Y1065-P1110 HydrophobicContact CE2-CB 4.41Å; Y1065-P1110 HydrophobicContact CE2-CG 4.02Å; Y1065-P1110 HydrophobicContact CG-CG 4.15Å; Y1065-H1125 PolarHBondContact OH-CE1 3.17Å; Y1065-H1125 VanDerWaalsContact OH-CG 3.3Å; Y1065-H1125 PolarHBondContact OH-ND1 3.05Å
1066S88.1Confident77.7Confident36 Ų3677.1 Ų77.125%0.25242%0.416SS..EExtended strand (participates in β ladder)trans-98.7146.8175.2-52.30000110.8
1067L87.2Confident78.7Confident63 Ų6375.5 Ų75.533%0.3341%0.406SS..EExtended strand (participates in β ladder)trans-77.2131.9176.3-63.9-175000111V1044 G1069 H1070 W1073V1044-L1067 HydrophobicContact CG1-CD1 3.69Å; L1067-G1069 PolarHBondContact O-N 2.89Å; L1067-H1070 HydrophobicContact CB-CB 4.14Å; L1067-H1070 CarbonylContact O-C 3.41Å; L1067-H1070 VanDerWaalsContact O-C 3.25Å; L1067-H1070 PolarHBondContact O-N 3.04Å; L1067-W1073 HydrophobicContact CD1-CB 4Å; L1067-W1073 HydrophobicContact CG-CB 4.35Å; L1067-W1073 PolarHBondContact N-O 2.84Å
1068V82.4Confident80.3Confident149 Ų14974 Ų7490%0.90340%0.398SS*.THydrogen-bonded Turntrans-64.2129.3177.8-179.70000109.5H1070V1068-H1070 PolarHBondContact O-N 3.48Å
1069G81.9Confident82.1Confident74 Ų7470.4 Ų70.476%0.76338%0.376SS*.THydrogen-bonded Turntrans81.9-6.3-174.900000114.8L1067L1067-G1069 PolarHBondContact O-N 2.89Å
1070H82Confident83.8Confident116 Ų11668.5 Ų68.554%0.53736%0.36SS..EExtended strand (participates in β ladder)trans-141.465-178-65-75.4000110.6L1067 V1068 D1072 W1073L1067-H1070 HydrophobicContact CB-CB 4.14Å; L1067-H1070 CarbonylContact O-C 3.41Å; L1067-H1070 VanDerWaalsContact O-C 3.25Å; L1067-H1070 PolarHBondContact O-N 3.04Å; V1068-H1070 PolarHBondContact O-N 3.48Å; H1070-D1072 PolarHBondContact O-N 3.03Å; H1070-W1073 HydrophobicContact CB-CB 4.32Å; H1070-W1073 HydrophobicContact CB-CG 4.42Å; H1070-W1073 PolarHBondContact O-N 3.37Å
1071S76.7Confident85.9Confident73 Ų7360.1 Ų60.151%0.5132%0.315SS..EExtended strand (participates in β ladder)trans-59.4-19.1-175.352.10000115W1073S1071-W1073 PolarHBondContact O-N 3.46Å
1072D82Confident87.5Confident112 Ų11252.8 Ų52.860%0.59929%0.287SS*.EExtended strand (participates in β ladder)trans-81.2-2.6176.1-57.3-28.8000112.6P1046 R1047 H1070P1046-D1072 CarbonylContact C-O 3.48Å; P1046-D1072 VanDerWaalsContact CA-O 3.26Å; P1046-D1072 WeakPolarHBondContact CA-O 3.42Å; R1047-D1072 WeakPolarHBondContact CB-O 3.37Å; R1047-D1072 PolarHBondContact N-O 3.35Å; H1070-D1072 PolarHBondContact O-N 3.03Å
1073W90Very high88.8Confident117 Ų11748 Ų4844%0.44327%0.265SS..EExtended strand (participates in β ladder)trans-119.1134179.4-64.283.5000110.8V1044 L1067 H1070 S1071V1044-W1073 HydrophobicContact CG1-CB 4.39Å; V1044-W1073 HydrophobicContact CG1-CE3 3.9Å; L1067-W1073 HydrophobicContact CD1-CB 4Å; L1067-W1073 HydrophobicContact CG-CB 4.35Å; L1067-W1073 PolarHBondContact N-O 2.84Å; H1070-W1073 HydrophobicContact CB-CB 4.32Å; H1070-W1073 HydrophobicContact CB-CG 4.42Å; H1070-W1073 PolarHBondContact O-N 3.37Å; S1071-W1073 PolarHBondContact O-N 3.46Å
1074T92.4Very high89.7Confident1 Ų142.8 Ų42.81%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-134.8156.2-172.159.60000111.4V1044 L1045 R1047 L1064 Y1065V1044-T1074 WeakPolarHBondContact CA-O 3.45Å; L1045-T1074 PolarHBondContact N-O 2.96Å; L1045-T1074 PolarHBondContact O-N 3.21Å; L1045-T1074 PolarHBondContact O-OG1 3.25Å; R1047-T1074 HydrophobicContact CB-CG2 4.18Å; R1047-T1074 HydrophobicContact CG-CG2 4.17Å; L1064-T1074 HydrophobicContact CB-CG2 4.42Å; L1064-T1074 HydrophobicContact CD1-CG2 4.42Å; Y1065-T1074 CarbonylContact O-C 3.46Å; Y1065-T1074 WeakPolarHBondContact O-CA 3.48Å
1075L94.3Very high90Very high34 Ų3444 Ų4418%0.17825%0.251CS..EExtended strand (participates in β ladder)trans-85.9136.9170.5-66.9171.8000111.1D1043 V1044 Y1065 Y1108D1043-L1075 CarbonylContact O-C 3.44Å; D1043-L1075 WeakPolarHBondContact O-CA 3.32Å; V1044-L1075 HydrophobicContact CG2-CD2 3.77Å; Y1065-L1075 PolarHBondContact O-N 3.47Å; L1075-Y1108 HydrophobicContact CB-CD2 3.94Å; L1075-Y1108 HydrophobicContact CB-CG 4.01Å; L1075-Y1108 HydrophobicContact CD1-CD1 4.15Å; L1075-Y1108 HydrophobicContact CD1-CD2 4.33Å; L1075-Y1108 HydrophobicContact CD1-CG 3.97Å; L1075-Y1108 HydrophobicContact CD2-CD2 4.29Å; L1075-Y1108 HydrophobicContact CD2-CE2 4.43Å; L1075-Y1108 HydrophobicContact CG-CD2 4.43Å; L1075-Y1108 HydrophobicContact CG-CG 4.47Å
1076S93.4Very high90.2Very high0 Ų043.4 Ų43.40%025%0.253CS..  trans-72.2133-177.2870000112D1043 T1078 Y1108D1043-S1076 PolarHBondContact O-N 2.99Å; S1076-T1078 VanDerWaalsContact C-N 3.32Å; S1076-Y1108 PolarHBondContact O-N 3.45Å
1077G91.5Very high90.4Very high5 Ų541.7 Ų41.75%0.05224%0.241CC..SBendtrans-86.8-3.6173.800000114M1081 Y1108 R1109G1077-M1081 PolarHBondContact N-SD 3.01Å; G1077-Y1108 WeakPolarHBondContact CA-O 3.3Å; G1077-R1109 PolarHBondContact O-NE 2.74Å; G1077-R1109 VanDerWaalsContact O-NE 3.17Å; G1077-R1109 PolarHBondContact O-NH2 3.48Å; G1077-R1109 VanDerWaalsContact O-NH2 3.09Å
1078T94.7Very high90.7Very high6 Ų639.7 Ų39.74%0.03723%0.231CC..SBendtrans-170.9144.8-178.31730000110.3S1076 E1080 M1081 K1129 E1131S1076-T1078 VanDerWaalsContact C-N 3.32Å; T1078-E1080 HydrophobicContact CG2-CB 3.74Å; T1078-E1080 PolarHBondContact O-N 2.71Å; T1078-E1080 VanDerWaalsContact O-N 3.13Å; T1078-E1080 WeakPolarHBondContact OG1-CB 3.48Å; T1078-E1080 PolarHBondContact OG1-N 3.17Å; T1078-M1081 HydrophobicContact CG2-CE 4.09Å; T1078-M1081 HydrophobicContact CG2-CG 4.07Å; T1078-M1081 HydrophobicContact CG2-SD 4.28Å; T1078-M1081 PolarHBondContact O-N 3.3Å; T1078-M1081 VanDerWaalsContact O-N 3.17Å; T1078-K1129 VanDerWaalsContact OG1-CE 3.28Å; T1078-K1129 WeakPolarHBondContact OG1-CE 3.38Å; T1078-K1129 PolarHBondContact OG1-NZ 2.92Å; T1078-E1131 PolarHBondContact OG1-OE1 2.81Å
1079A95.4Very high91Very high0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-62.2-15.6172.800000113.7V1041 M1081 G1082 I1083 S1105 E1131V1041-A1079 HydrophobicContact CG2-CB 3.94Å; A1079-M1081 PolarHBondContact O-N 2.87Å; A1079-G1082 PolarHBondContact O-N 2.86Å; A1079-G1082 VanDerWaalsContact O-N 3.08Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.16Å; A1079-I1083 PolarHBondContact O-N 3.31Å; A1079-S1105 WeakPolarHBondContact CB-OG 3.46Å; A1079-E1131 HydrophobicContact CB-CB 3.9Å
1080E96.1Very high91.5Very high22 Ų2232.7 Ų32.710%0.10318%0.175CC..Hα-helixtrans-49.4-44.2169.5174.8-172.2-170.800111.3T1078 G1082 I1083 A1084 E1131 F1133 Q1209 N1231T1078-E1080 HydrophobicContact CG2-CB 3.74Å; T1078-E1080 PolarHBondContact O-N 2.71Å; T1078-E1080 VanDerWaalsContact O-N 3.13Å; T1078-E1080 WeakPolarHBondContact OG1-CB 3.48Å; T1078-E1080 PolarHBondContact OG1-N 3.17Å; E1080-G1082 PolarHBondContact O-N 3.44Å; E1080-I1083 PolarHBondContact O-N 3.31Å; E1080-A1084 VanDerWaalsContact O-CB 3.27Å; E1080-A1084 WeakPolarHBondContact O-CB 3.4Å; E1080-A1084 PolarHBondContact O-N 3.27Å; E1080-E1131 HydrophobicContact CB-CG 4.22Å; E1080-F1133 HydrophobicContact CG-CD2 3.96Å; E1080-F1133 HydrophobicContact CG-CE2 3.94Å; E1080-Q1209 PolarHBondContact OE1-NE2 3.12Å; E1080-N1231 HydrophobicContact CG-CB 4.26Å; E1080-N1231 PolarHBondContact OE1-ND2 3.05Å
1081M94.9Very high92.1Very high1 Ų128 Ų281%0.00515%0.154CC..Hα-helixtrans-66.1-40.1179.9-61.2163176.300111.5L1045 I1049 P1050 L1055 L1064 G1077 T1078 A1079 A1084 S1085L1045-M1081 HydrophobicContact CD1-CB 3.39Å; I1049-M1081 HydrophobicContact CG2-CB 4.23Å; I1049-M1081 WeakPolarHBondContact CG2-O 3.29Å; P1050-M1081 HydrophobicContact CB-CE 4.06Å; P1050-M1081 HydrophobicContact CB-SD 4.22Å; P1050-M1081 HydrophobicContact CG-CE 4.44Å; P1050-M1081 HydrophobicContact CG-SD 3.98Å; L1055-M1081 HydrophobicContact CD1-CE 3.04Å; L1055-M1081 HydrophobicContact CG-CE 4.39Å; L1064-M1081 HydrophobicContact CD2-CE 4.06Å; G1077-M1081 PolarHBondContact N-SD 3.01Å; T1078-M1081 HydrophobicContact CG2-CE 4.09Å; T1078-M1081 HydrophobicContact CG2-CG 4.07Å; T1078-M1081 HydrophobicContact CG2-SD 4.28Å; T1078-M1081 PolarHBondContact O-N 3.3Å; T1078-M1081 VanDerWaalsContact O-N 3.17Å; A1079-M1081 PolarHBondContact O-N 2.87Å; M1081-A1084 WeakPolarHBondContact O-CB 3.37Å; M1081-A1084 PolarHBondContact O-N 2.86Å; M1081-S1085 PolarHBondContact O-N 3.07Å
1082G94.1Very high92.9Very high1 Ų124.7 Ų24.71%0.0113%0.131CC..Hα-helixtrans-67-38.5176.500000112.2A1079 E1080 S1085 L1086A1079-G1082 PolarHBondContact O-N 2.86Å; A1079-G1082 VanDerWaalsContact O-N 3.08Å; E1080-G1082 PolarHBondContact O-N 3.44Å; G1082-S1085 PolarHBondContact O-N 3.28Å; G1082-L1086 PolarHBondContact O-N 3.12Å; G1082-L1086 VanDerWaalsContact O-N 3.09Å
1083I96.2Very high93.5Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-70.6-36.8174.2-61.1170.1000110.7V1039 V1041 A1079 E1080 S1085 L1086 I1087 Y1101 F1133V1039-I1083 HydrophobicContact CG2-CD1 4.28Å; V1039-I1083 HydrophobicContact CG2-CG1 3.94Å; V1041-I1083 HydrophobicContact CG1-CG1 3.91Å; A1079-I1083 WeakPolarHBondContact O-CG1 3.16Å; A1079-I1083 PolarHBondContact O-N 3.31Å; E1080-I1083 PolarHBondContact O-N 3.31Å; I1083-S1085 VanDerWaalsContact C-N 3.31Å; I1083-S1085 PolarHBondContact O-N 3.09Å; I1083-L1086 VanDerWaalsContact O-CB 3.29Å; I1083-L1086 WeakPolarHBondContact O-CB 3.44Å; I1083-L1086 PolarHBondContact O-N 3.49Å; I1083-L1086 VanDerWaalsContact O-N 3.09Å; I1083-I1087 PolarHBondContact O-N 2.98Å; I1083-I1087 VanDerWaalsContact O-N 3.08Å; I1083-Y1101 HydrophobicContact CG2-CD2 4.1Å; I1083-Y1101 HydrophobicContact CG2-CG 4.31Å; I1083-F1133 HydrophobicContact CB-CB 4.3Å; I1083-F1133 HydrophobicContact CB-CG 4.28Å; I1083-F1133 HydrophobicContact CD1-CB 3.73Å; I1083-F1133 HydrophobicContact CG2-CB 3.83Å; I1083-F1133 HydrophobicContact CG2-CD1 3.68Å; I1083-F1133 HydrophobicContact CG2-CD2 4.41Å; I1083-F1133 HydrophobicContact CG2-CE1 4.38Å; I1083-F1133 HydrophobicContact CG2-CG 3.7Å
1084A94.1Very high93.6Very high0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-58.6-42.9172.400000111.5C1053 E1080 M1081 L1086 I1087 E1088 L1213C1053-A1084 WeakPolarHBondContact SG-CB 3.42Å; E1080-A1084 VanDerWaalsContact O-CB 3.27Å; E1080-A1084 WeakPolarHBondContact O-CB 3.4Å; E1080-A1084 PolarHBondContact O-N 3.27Å; M1081-A1084 WeakPolarHBondContact O-CB 3.37Å; M1081-A1084 PolarHBondContact O-N 2.86Å; A1084-L1086 VanDerWaalsContact C-N 3.32Å; A1084-L1086 PolarHBondContact O-N 2.73Å; A1084-I1087 VanDerWaalsContact O-CG1 3.28Å; A1084-I1087 WeakPolarHBondContact O-CG1 3.35Å; A1084-I1087 PolarHBondContact O-N 2.95Å; A1084-E1088 PolarHBondContact O-N 2.71Å; A1084-E1088 VanDerWaalsContact O-N 3.1Å; A1084-L1213 HydrophobicContact CB-CD1 3.64Å; A1084-L1213 HydrophobicContact CB-CD2 4.31Å
1085S92.5Very high93.5Very high36 Ų3623 Ų2325%0.25212%0.123SC..Hα-helixtrans-62.9-37172.6-177.70000112.5M1081 G1082 I1083 I1087 E1088M1081-S1085 PolarHBondContact O-N 3.07Å; G1082-S1085 PolarHBondContact O-N 3.28Å; I1083-S1085 VanDerWaalsContact C-N 3.31Å; I1083-S1085 PolarHBondContact O-N 3.09Å; S1085-I1087 PolarHBondContact O-N 3.42Å; S1085-E1088 WeakPolarHBondContact O-CB 3.27Å; S1085-E1088 PolarHBondContact O-N 3.09Å
1086L93.7Very high93.5Very high65 Ų6523.1 Ų23.134%0.3412%0.122SC..Hα-helixtrans-60.7-45.2175.7176.567.4000112V1039 G1082 I1083 A1084 E1088 Q1090 Y1101V1039-L1086 HydrophobicContact CB-CD2 4.48Å; V1039-L1086 HydrophobicContact CG1-CD2 4.04Å; V1039-L1086 HydrophobicContact CG2-CD2 4.5Å; G1082-L1086 PolarHBondContact O-N 3.12Å; G1082-L1086 VanDerWaalsContact O-N 3.09Å; I1083-L1086 VanDerWaalsContact O-CB 3.29Å; I1083-L1086 WeakPolarHBondContact O-CB 3.44Å; I1083-L1086 PolarHBondContact O-N 3.49Å; I1083-L1086 VanDerWaalsContact O-N 3.09Å; A1084-L1086 VanDerWaalsContact C-N 3.32Å; A1084-L1086 PolarHBondContact O-N 2.73Å; L1086-E1088 VanDerWaalsContact C-N 3.33Å; L1086-Q1090 PolarHBondContact O-NE2 2.91Å; L1086-Y1101 HydrophobicContact CD2-CE1 4.42Å
1087I93.7Very high93.5Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-85.1-3-177.166.5169.9000114.2I1083 A1084 S1085 G1089 Q1090 F1092 Y1101 F1133 C1135 L1213 T1215 T1229I1083-I1087 PolarHBondContact O-N 2.98Å; I1083-I1087 VanDerWaalsContact O-N 3.08Å; A1084-I1087 VanDerWaalsContact O-CG1 3.28Å; A1084-I1087 WeakPolarHBondContact O-CG1 3.35Å; A1084-I1087 PolarHBondContact O-N 2.95Å; S1085-I1087 PolarHBondContact O-N 3.42Å; I1087-G1089 PolarHBondContact O-N 2.86Å; I1087-Q1090 WeakPolarHBondContact O-CB 3.34Å; I1087-Q1090 PolarHBondContact O-N 3.21Å; I1087-Q1090 VanDerWaalsContact O-N 3.14Å; I1087-F1092 HydrophobicContact CG2-CZ 4.28Å; I1087-Y1101 HydrophobicContact CG2-CE2 4.09Å; I1087-F1133 HydrophobicContact CD1-CE1 3.57Å; I1087-F1133 HydrophobicContact CD1-CZ 3.81Å; I1087-C1135 VanDerWaalsContact CD1-SG 3.57Å; I1087-L1213 HydrophobicContact CD1-CD1 4.38Å; I1087-L1213 HydrophobicContact CG1-CD1 4.45Å; I1087-T1215 HydrophobicContact CB-CG2 4.22Å; I1087-T1215 HydrophobicContact CD1-CG2 4.27Å; I1087-T1215 HydrophobicContact CG1-CG2 4.46Å; I1087-T1215 PolarHBondContact O-OG1 2.91Å; I1087-T1229 HydrophobicContact CD1-CG2 4.34Å
1088E92.4Very high93.7Very high22 Ų2226.7 Ų26.710%0.10314%0.143CC..THydrogen-bonded Turntrans-58.5133.3-178.6-173.3-177.3-159.100111.6P878 R1048 I1049 A1084 S1085 L1086 Q1090 L1213P878-E1088 HydrophobicContact CB-CG 4.22Å; R1048-E1088 IonicContact CZ-OE1 3.79Å; R1048-E1088 IonicContact CZ-OE2 3.28Å; R1048-E1088 IonicContact NH1-OE1 2.72Å; R1048-E1088 PolarHBondContact NH1-OE1 3.04Å; R1048-E1088 IonicContact NH1-OE2 2.96Å; R1048-E1088 PolarHBondContact NH1-OE2 3.46Å; R1048-E1088 IonicContact NH2-OE1 2.77Å; R1048-E1088 PolarHBondContact NH2-OE1 3.5Å; R1048-E1088 IonicContact NH2-OE2 2.77Å; R1048-E1088 PolarHBondContact NH2-OE2 3.31Å; I1049-E1088 WeakPolarHBondContact CD1-OE2 3.43Å; A1084-E1088 PolarHBondContact O-N 2.71Å; A1084-E1088 VanDerWaalsContact O-N 3.1Å; S1085-E1088 WeakPolarHBondContact O-CB 3.27Å; S1085-E1088 PolarHBondContact O-N 3.09Å; L1086-E1088 VanDerWaalsContact C-N 3.33Å; E1088-Q1090 PolarHBondContact O-N 3.04Å; E1088-L1213 HydrophobicContact CB-CD2 4.42Å; E1088-L1213 HydrophobicContact CG-CD2 4.38Å; E1088-L1213 WeakPolarHBondContact CG-O 3.45Å
1089G89.3Confident93.8Very high27 Ų2729.3 Ų29.328%0.27815%0.154SC..THydrogen-bonded Turntrans65.7-0.2179.900000114.3I1087 L1213I1087-G1089 PolarHBondContact O-N 2.86Å; G1089-L1213 PolarHBondContact N-O 2.77Å
1090Q92.6Very high93.9Very high49 Ų4930.8 Ų30.823%0.22916%0.16CC..  trans-74.4156.6-179.6-64.1-161.116.500111L1086 I1087 E1088 F1092 T1215 K1216L1086-Q1090 PolarHBondContact O-NE2 2.91Å; I1087-Q1090 WeakPolarHBondContact O-CB 3.34Å; I1087-Q1090 PolarHBondContact O-N 3.21Å; I1087-Q1090 VanDerWaalsContact O-N 3.14Å; E1088-Q1090 PolarHBondContact O-N 3.04Å; Q1090-F1092 HydrophobicContact CB-CE1 4.42Å; Q1090-F1092 HydrophobicContact CB-CE2 4.45Å; Q1090-F1092 HydrophobicContact CB-CZ 4.04Å; Q1090-T1215 WeakPolarHBondContact O-CA 3.22Å; Q1090-K1216 PolarHBondContact O-N 3.07Å
1091T93.7Very high94Very high16 Ų1630.9 Ų30.910%0.09816%0.16CC..EExtended strand (participates in β ladder)trans-146.6129.7160.4-62.10000113.6R873 K1216R873-T1091 VanDerWaalsContact NE-CG2 3.25Å; R873-T1091 PolarHBondContact NH1-OG1 3.43Å; T1091-K1216 WeakPolarHBondContact CA-O 3.36Å; T1091-K1216 WeakPolarHBondContact CB-O 3.43Å; T1091-K1216 HydrophobicContact CG2-CB 3.88Å; T1091-K1216 VanDerWaalsContact CG2-O 3.24Å; T1091-K1216 WeakPolarHBondContact CG2-O 3.44Å; T1091-K1216 WeakPolarHBondContact OG1-CA 3.24Å; T1091-K1216 WeakPolarHBondContact OG1-CB 3.41Å; T1091-K1216 PolarHBondContact OG1-N 3.22Å
1092F94.3Very high94.2Very high4 Ų430.8 Ų30.82%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-88162.8-173.5-52.4-69.3000111.6I1087 Q1090 E1096 L1097 K1099 C1135 T1215 K1216 Y1217 Q1218 V1227I1087-F1092 HydrophobicContact CG2-CZ 4.28Å; Q1090-F1092 HydrophobicContact CB-CE1 4.42Å; Q1090-F1092 HydrophobicContact CB-CE2 4.45Å; Q1090-F1092 HydrophobicContact CB-CZ 4.04Å; F1092-E1096 HydrophobicContact CB-CB 4.33Å; F1092-L1097 HydrophobicContact CB-CD1 4.42Å; F1092-L1097 HydrophobicContact CB-CD2 4.07Å; F1092-L1097 HydrophobicContact CB-CG 4.23Å; F1092-L1097 HydrophobicContact CD2-CD2 4.05Å; F1092-L1097 HydrophobicContact CG-CD2 4.13Å; F1092-K1099 HydrophobicContact CD1-CG 4.25Å; F1092-K1099 HydrophobicContact CE1-CG 4.27Å; F1092-C1135 HydrophobicContact CE2-CB 4.32Å; F1092-T1215 HydrophobicContact CD2-CG2 4.33Å; F1092-T1215 HydrophobicContact CE2-CG2 3.63Å; F1092-K1216 PolarHBondContact N-O 3.32Å; F1092-K1216 VanDerWaalsContact N-O 3.07Å; F1092-Y1217 CarbonylContact O-C 3.56Å; F1092-Y1217 WeakPolarHBondContact O-CA 3.46Å; F1092-Q1218 PolarHBondContact O-N 3.48Å; F1092-V1227 HydrophobicContact CD2-CG1 4.01Å
1093Q93.7Very high94.3Very high30 Ų3030.8 Ų30.814%0.1416%0.159CC..EExtended strand (participates in β ladder)trans-85.3153.6160.8-58.6-68.4-46.100109.5Q870 M871 K1095 E1096Q870-Q1093 HydrophobicContact CB-CG 4.48Å; M871-Q1093 HydrophobicContact CE-CB 3.7Å; M871-Q1093 HydrophobicContact CE-CG 3.8Å; M871-Q1093 HydrophobicContact CG-CG 4.07Å; Q1093-K1095 VanDerWaalsContact C-N 3.26Å; Q1093-K1095 HydrophobicContact CB-CG 4.04Å; Q1093-K1095 PolarHBondContact O-N 2.93Å; Q1093-E1096 PolarHBondContact N-OE1 3.15Å; Q1093-E1096 WeakPolarHBondContact O-CB 3.42Å; Q1093-E1096 PolarHBondContact O-N 3.14Å
1094E91.8Very high94.4Very high42 Ų4232.6 Ų32.620%0.19617%0.17CC..G310 helixtrans-55.5-41.8178.6-166.6-177.2130.900112.6E1096 L1097 A1137 Y1217 Q1218 S1219 N1220E1094-E1096 PolarHBondContact O-N 2.84Å; E1094-L1097 PolarHBondContact O-N 3Å; E1094-A1137 HydrophobicContact CG-CB 4.28Å; E1094-Y1217 HydrophobicContact CB-CD2 4.29Å; E1094-Y1217 HydrophobicContact CG-CD2 4.42Å; E1094-Y1217 HydrophobicContact CG-CE2 4.35Å; E1094-Q1218 PolarHBondContact N-O 3.15Å; E1094-S1219 WeakPolarHBondContact OE2-CA 3.47Å; E1094-S1219 WeakPolarHBondContact OE2-CB 3.22Å; E1094-N1220 PolarHBondContact OE1-ND2 3.41Å; E1094-N1220 PolarHBondContact OE2-N 2.97Å; E1094-N1220 PolarHBondContact OE2-ND2 3.47Å
1095K92.2Very high94.5Very high123 Ų12333 Ų3354%0.53517%0.173SC..G310 helixtrans-60.4-14.2178.269.8-174.6-180-169.30115.1M871 Q1093M871-K1095 HydrophobicContact CE-CD 4.22Å; M871-K1095 HydrophobicContact CE-CG 3.91Å; Q1093-K1095 VanDerWaalsContact C-N 3.26Å; Q1093-K1095 HydrophobicContact CB-CG 4.04Å; Q1093-K1095 PolarHBondContact O-N 2.93Å
1096E92.3Very high94.6Very high36 Ų3634 Ų3417%0.16817%0.171CC..G310 helixtrans-89.9-12.9-177.4-126.3-177.2-49.700112.6M871 F1092 Q1093 E1094 K1099M871-E1096 HydrophobicContact CE-CB 3.88Å; M871-E1096 HydrophobicContact CE-CG 3.25Å; M871-E1096 WeakPolarHBondContact CE-OE1 3.43Å; M871-E1096 HydrophobicContact CG-CG 4.35Å; M871-E1096 WeakPolarHBondContact CG-OE1 3.39Å; M871-E1096 HydrophobicContact SD-CG 3.4Å; M871-E1096 WeakPolarHBondContact SD-CG 3.35Å; F1092-E1096 HydrophobicContact CB-CB 4.33Å; Q1093-E1096 PolarHBondContact N-OE1 3.15Å; Q1093-E1096 WeakPolarHBondContact O-CB 3.42Å; Q1093-E1096 PolarHBondContact O-N 3.14Å; E1094-E1096 PolarHBondContact O-N 2.84Å; E1096-K1099 WeakPolarHBondContact O-CD 3.5Å; E1096-K1099 WeakPolarHBondContact O-CG 3.34Å; E1096-K1099 WeakPolarHBondContact OE2-CE 3.29Å; E1096-K1099 IonicContact OE2-NZ 3.26Å; E1096-K1099 PolarHBondContact OE2-NZ 3Å; E1096-K1099 VanDerWaalsContact OE2-NZ 3.15Å
1097L94.5Very high94.7Very high24 Ų2430.9 Ų30.913%0.12616%0.155CC..PPolyproline II helixtrans-101.6142.7-174.1-61.1171.7000109.8F1092 E1094 K1099 C1135 A1137 Y1217 V1227F1092-L1097 HydrophobicContact CB-CD1 4.42Å; F1092-L1097 HydrophobicContact CB-CD2 4.07Å; F1092-L1097 HydrophobicContact CB-CG 4.23Å; F1092-L1097 HydrophobicContact CD2-CD2 4.05Å; F1092-L1097 HydrophobicContact CG-CD2 4.13Å; E1094-L1097 PolarHBondContact O-N 3Å; L1097-K1099 HydrophobicContact CD2-CB 4.43Å; L1097-K1099 HydrophobicContact CD2-CG 4.12Å; L1097-C1135 HydrophobicContact CD2-CB 4.08Å; L1097-C1135 WeakPolarHBondContact CD2-O 3.46Å; L1097-A1137 HydrophobicContact CB-CB 4.43Å; L1097-A1137 HydrophobicContact CD1-CB 3.95Å; L1097-Y1217 HydrophobicContact CD1-CD1 4.27Å; L1097-Y1217 HydrophobicContact CD1-CD2 4.06Å; L1097-Y1217 HydrophobicContact CD1-CG 3.71Å; L1097-V1227 HydrophobicContact CD1-CG1 4.05Å; L1097-V1227 HydrophobicContact CD2-CG1 4.44Å
1098P96.1Very high94.7Very high57 Ų5733.2 Ų33.237%0.3716%0.164SC..SBendcis-77.2133.93.832.3-37.1000113.4C1135 I1147P1098-C1135 CarbonylContact C-O 3.5Å; P1098-C1135 VanDerWaalsContact CA-O 3.23Å; P1098-C1135 WeakPolarHBondContact CA-O 3.29Å; P1098-I1147 HydrophobicContact CB-CD1 3.76Å; P1098-I1147 HydrophobicContact CB-CG1 4.27Å; P1098-I1147 HydrophobicContact CG-CD1 3.8Å
1099K96.5Very high94.6Very high61 Ų6135.8 Ų35.827%0.26517%0.173SC..EExtended strand (participates in β ladder)trans-86.4126.2165.9-74.6-65.5-163.1-178.90108.6F1092 E1096 L1097 Y1101 A1134 C1135F1092-K1099 HydrophobicContact CD1-CG 4.25Å; F1092-K1099 HydrophobicContact CE1-CG 4.27Å; E1096-K1099 WeakPolarHBondContact O-CD 3.5Å; E1096-K1099 WeakPolarHBondContact O-CG 3.34Å; E1096-K1099 WeakPolarHBondContact OE2-CE 3.29Å; E1096-K1099 IonicContact OE2-NZ 3.26Å; E1096-K1099 PolarHBondContact OE2-NZ 3Å; E1096-K1099 VanDerWaalsContact OE2-NZ 3.15Å; L1097-K1099 HydrophobicContact CD2-CB 4.43Å; L1097-K1099 HydrophobicContact CD2-CG 4.12Å; K1099-Y1101 HydrophobicContact CB-CE2 3.91Å; K1099-A1134 CarbonylContact O-C 3.53Å; K1099-A1134 WeakPolarHBondContact O-CA 3.42Å; K1099-C1135 HydrophobicContact CB-CB 4.39Å; K1099-C1135 PolarHBondContact N-O 3.16Å; K1099-C1135 PolarHBondContact O-N 2.68Å
1100K97.9Very high94.3Very high30 Ų3035.4 Ų35.413%0.1317%0.166CC..EExtended strand (participates in β ladder)trans-120.5124.6-176.7-64.9176.7-179.3177.40109.7F1036 V1037 A1134 E1150F1036-K1100 HydrophobicContact CB-CB 4.45Å; F1036-K1100 HydrophobicContact CD1-CB 3.66Å; F1036-K1100 HydrophobicContact CD2-CB 4.2Å; F1036-K1100 HydrophobicContact CD2-CD 4.2Å; F1036-K1100 HydrophobicContact CE1-CB 3.82Å; F1036-K1100 HydrophobicContact CE1-CG 4.32Å; F1036-K1100 HydrophobicContact CE2-CB 4.35Å; F1036-K1100 HydrophobicContact CE2-CD 3.87Å; F1036-K1100 HydrophobicContact CE2-CG 4.5Å; F1036-K1100 HydrophobicContact CG-CB 3.85Å; F1036-K1100 HydrophobicContact CZ-CB 4.17Å; F1036-K1100 HydrophobicContact CZ-CD 4.06Å; F1036-K1100 HydrophobicContact CZ-CG 4.28Å; V1037-K1100 PolarHBondContact N-O 3.39Å; K1100-A1134 HydrophobicContact CG-CB 4.28Å; K1100-E1150 IonicContact NZ-OE1 2.85Å; K1100-E1150 PolarHBondContact NZ-OE1 3.41Å; K1100-E1150 IonicContact NZ-OE2 2.71Å; K1100-E1150 PolarHBondContact NZ-OE2 3.27Å
1101Y98.1Very high93.6Very high24 Ų2434.7 Ų34.79%0.09416%0.162CC..EExtended strand (participates in β ladder)trans-123.8149.6179.7-59.3-73.9000110.6F1036 V1037 V1039 I1083 L1086 I1087 K1099 M1132 F1133F1036-Y1101 WeakPolarHBondContact CD1-O 3.41Å; V1037-Y1101 HydrophobicContact CB-CD1 3.98Å; V1037-Y1101 HydrophobicContact CB-CE1 4.32Å; V1037-Y1101 HydrophobicContact CG1-CD1 4.4Å; V1037-Y1101 CarbonylContact O-C 3.56Å; V1037-Y1101 VanDerWaalsContact O-CA 3.28Å; V1037-Y1101 WeakPolarHBondContact O-CA 3.45Å; V1039-Y1101 HydrophobicContact CG1-CD1 3.86Å; V1039-Y1101 HydrophobicContact CG1-CE1 4.45Å; I1083-Y1101 HydrophobicContact CG2-CD2 4.1Å; I1083-Y1101 HydrophobicContact CG2-CG 4.31Å; L1086-Y1101 HydrophobicContact CD2-CE1 4.42Å; I1087-Y1101 HydrophobicContact CG2-CE2 4.09Å; K1099-Y1101 HydrophobicContact CB-CE2 3.91Å; Y1101-M1132 WeakPolarHBondContact O-CA 3.34Å; Y1101-F1133 PolarHBondContact N-O 3.15Å; Y1101-F1133 PolarHBondContact O-N 2.98Å; Y1101-F1133 VanDerWaalsContact O-O 3.14Å
1102F97.9Very high92Very high0 Ų037.6 Ų37.60%018%0.18CC..EExtended strand (participates in β ladder)trans-138.3151.3164.280.3-82.3000111.5T1028 L1031 R1032 F1036 V1037 Q1038 V1039 V1130 E1131T1028-F1102 HydrophobicContact CG2-CD2 4.48Å; T1028-F1102 HydrophobicContact CG2-CE2 3.55Å; T1028-F1102 HydrophobicContact CG2-CZ 4.27Å; L1031-F1102 HydrophobicContact CB-CD1 4.1Å; L1031-F1102 HydrophobicContact CB-CE1 4.15Å; L1031-F1102 HydrophobicContact CB-CG 4.27Å; L1031-F1102 HydrophobicContact CB-CZ 4.45Å; L1031-F1102 HydrophobicContact CD1-CB 3.87Å; L1031-F1102 HydrophobicContact CD1-CD1 4.45Å; L1031-F1102 HydrophobicContact CD1-CD2 3.85Å; L1031-F1102 HydrophobicContact CD1-CE2 4.49Å; L1031-F1102 HydrophobicContact CD1-CG 3.79Å; R1032-F1102 HydrophobicContact CG-CE1 3.7Å; R1032-F1102 HydrophobicContact CG-CZ 3.76Å; F1036-F1102 HydrophobicContact CB-CD1 3.69Å; F1036-F1102 HydrophobicContact CB-CE1 4.34Å; F1036-F1102 HydrophobicContact CD1-CB 4.36Å; V1037-F1102 PolarHBondContact O-N 3.18Å; Q1038-F1102 CarbonylContact C-O 3.52Å; Q1038-F1102 VanDerWaalsContact CA-CE1 3.49Å; Q1038-F1102 WeakPolarHBondContact CA-O 3.25Å; Q1038-F1102 HydrophobicContact CB-CD1 4.12Å; Q1038-F1102 HydrophobicContact CB-CE1 3.45Å; Q1038-F1102 VanDerWaalsContact CB-CE1 3.45Å; Q1038-F1102 HydrophobicContact CB-CE2 4Å; Q1038-F1102 HydrophobicContact CB-CZ 3.39Å; Q1038-F1102 HydrophobicContact CG-CD2 4.31Å; Q1038-F1102 HydrophobicContact CG-CE1 4.06Å; Q1038-F1102 HydrophobicContact CG-CE2 3.64Å; Q1038-F1102 HydrophobicContact CG-CZ 3.55Å; Q1038-F1102 VanDerWaalsContact OE1-CZ 3.32Å; V1039-F1102 PolarHBondContact N-O 2.95Å; F1102-V1130 HydrophobicContact CD2-CG1 4.11Å; F1102-E1131 CarbonylContact C-O 3.55Å; F1102-E1131 WeakPolarHBondContact CA-O 3.38Å; F1102-E1131 VanDerWaalsContact CB-O 3.3Å; F1102-E1131 WeakPolarHBondContact CB-O 3.44Å
1103S97.7Very high90.2Very high0 Ų040 Ų400%020%0.197CC..EExtended strand (participates in β ladder)trans-140.7145179.9178.40000111.3V1039 V1130 E1131V1039-S1103 VanDerWaalsContact O-CA 3.32Å; V1039-S1103 WeakPolarHBondContact O-CA 3.32Å; V1039-S1103 WeakPolarHBondContact O-CB 3.46Å; V1039-S1103 PolarHBondContact O-OG 3.36Å; V1039-S1103 VanDerWaalsContact O-OG 3.07Å; S1103-V1130 CarbonylContact O-C 3.6Å; S1103-V1130 WeakPolarHBondContact O-CA 3.21Å; S1103-E1131 PolarHBondContact N-O 3.41Å; S1103-E1131 PolarHBondContact O-N 2.66Å
1104V97.2Very high87.9Confident39 Ų3944.3 Ų44.324%0.23623%0.231CC..EExtended strand (participates in β ladder)trans-103.5117.1168.9-173.80000106.3I1024 T1028 T1128 V1130I1024-V1104 HydrophobicContact CD1-CG1 4.34Å; I1024-V1104 HydrophobicContact CG1-CG1 4.34Å; I1024-V1104 HydrophobicContact CG2-CB 4.41Å; I1024-V1104 HydrophobicContact CG2-CG1 3.74Å; I1024-V1104 HydrophobicContact CG2-CG2 3.86Å; T1028-V1104 HydrophobicContact CG2-CG2 3.62Å; V1104-T1128 HydrophobicContact CG1-CG2 3.97Å; V1104-V1130 HydrophobicContact CG1-CG2 4.48Å; V1104-V1130 HydrophobicContact CG2-CG1 4.33Å; V1104-V1130 HydrophobicContact CG2-CG2 4.09Å
1105S95.9Very high85.8Confident9 Ų943.9 Ų43.96%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-137.5161179.787.30000113.3A1079 K1129A1079-S1105 WeakPolarHBondContact CB-OG 3.46Å; S1105-K1129 PolarHBondContact N-O 3.12Å; S1105-K1129 VanDerWaalsContact N-O 3.13Å; S1105-K1129 PolarHBondContact O-N 3.14Å
1106R95.7Very high83.4Confident55 Ų5542.5 Ų42.521%0.20825%0.249CC..EExtended strand (participates in β ladder)trans-76.5126.1165-65.2-66.9-31.190.340.8108.2D1043 Y1108 E1126 F1127 T1128D1043-R1106 VanDerWaalsContact OD1-O 3.11Å; R1106-Y1108 HydrophobicContact CB-CE2 3.71Å; R1106-Y1108 WeakPolarHBondContact CB-OH 3.48Å; R1106-E1126 IonicContact CZ-OE1 3.83Å; R1106-E1126 IonicContact NE-OE1 3.54Å; R1106-E1126 PolarHBondContact NE-OE1 2.65Å; R1106-E1126 IonicContact NH2-OE1 4Å; R1106-F1127 VanDerWaalsContact CZ-O 3.28Å; R1106-F1127 PolarHBondContact NH1-O 3.31Å; R1106-F1127 VanDerWaalsContact NH2-CA 3.3Å; R1106-F1127 PolarHBondContact NH2-O 2.95Å; R1106-T1128 VanDerWaalsContact NH1-CB 3.33Å; R1106-T1128 PolarHBondContact NH1-OG1 2.98Å
1107C94.8Very high81.6Confident0 Ų044.5 Ų44.50%026%0.264CS..EExtended strand (participates in β ladder)trans-104.2134175.8-61.80000110.3E1126 F1127 K1129C1107-E1126 WeakPolarHBondContact O-CA 3.32Å; C1107-F1127 HydrophobicContact CB-CD1 4.33Å; C1107-F1127 HydrophobicContact CB-CD2 4.22Å; C1107-F1127 HydrophobicContact CB-CE1 3.88Å; C1107-F1127 HydrophobicContact CB-CE2 3.76Å; C1107-F1127 HydrophobicContact CB-CG 4.48Å; C1107-F1127 HydrophobicContact CB-CZ 3.57Å; C1107-F1127 WeakPolarHBondContact CB-O 3.38Å; C1107-F1127 PolarHBondContact N-O 3.07Å; C1107-F1127 PolarHBondContact O-N 3.12Å; C1107-F1127 VanDerWaalsContact O-N 3.08Å; C1107-K1129 VanDerWaalsContact SG-CB 3.55Å
1108Y94.2Very high79.9Confident49 Ų4944.6 Ų44.619%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-117.7125.2-179.2-57.6-86.7000111.3D1043 L1075 S1076 G1077 R1106 H1125 E1126D1043-Y1108 HydrophobicContact CB-CE2 4.14Å; L1075-Y1108 HydrophobicContact CB-CD2 3.94Å; L1075-Y1108 HydrophobicContact CB-CG 4.01Å; L1075-Y1108 HydrophobicContact CD1-CD1 4.15Å; L1075-Y1108 HydrophobicContact CD1-CD2 4.33Å; L1075-Y1108 HydrophobicContact CD1-CG 3.97Å; L1075-Y1108 HydrophobicContact CD2-CD2 4.29Å; L1075-Y1108 HydrophobicContact CD2-CE2 4.43Å; L1075-Y1108 HydrophobicContact CG-CD2 4.43Å; L1075-Y1108 HydrophobicContact CG-CG 4.47Å; S1076-Y1108 PolarHBondContact O-N 3.45Å; G1077-Y1108 WeakPolarHBondContact CA-O 3.3Å; R1106-Y1108 HydrophobicContact CB-CE2 3.71Å; R1106-Y1108 WeakPolarHBondContact CB-OH 3.48Å; Y1108-H1125 CarbonylContact C-O 3.58Å; Y1108-H1125 VanDerWaalsContact CA-O 3.25Å; Y1108-H1125 WeakPolarHBondContact CA-O 3.49Å; Y1108-E1126 HydrophobicContact CD1-CB 4.36Å; Y1108-E1126 HydrophobicContact CD1-CG 4.17Å; Y1108-E1126 HydrophobicContact CE1-CB 4.39Å; Y1108-E1126 HydrophobicContact CE1-CG 3.78Å; Y1108-E1126 PolarHBondContact OH-OE1 3.21Å
1109R89.4Confident78.5Confident76 Ų7648.8 Ų48.829%0.28728%0.281SS..  trans-138.8128.8-178.3-63.6-172-175.8-175.9-2.1112.1Y1065 G1077 E1111 H1125 F1127Y1065-R1109 WeakPolarHBondContact CE2-O 3.02Å; G1077-R1109 PolarHBondContact O-NE 2.74Å; G1077-R1109 VanDerWaalsContact O-NE 3.17Å; G1077-R1109 PolarHBondContact O-NH2 3.48Å; G1077-R1109 VanDerWaalsContact O-NH2 3.09Å; R1109-E1111 HydrophobicContact CB-CG 3.86Å; R1109-E1111 WeakPolarHBondContact CB-OE1 3.34Å; R1109-E1111 WeakPolarHBondContact CD-OE1 3.38Å; R1109-E1111 PolarHBondContact O-N 2.98Å; R1109-H1125 PolarHBondContact N-O 3.4Å; R1109-H1125 WeakPolarHBondContact O-CA 3.42Å; R1109-H1125 PolarHBondContact O-ND1 3.3Å; R1109-F1127 HydrophobicContact CG-CE1 4.13Å
1110P84.6Confident77.7Confident20 Ų2047 Ų4713%0.1328%0.28CS..  trans-63.4-23.5177.5-27.336.6000115.1K1063 Y1065 V1112 H1125K1063-P1110 WeakPolarHBondContact O-CD 3.1Å; Y1065-P1110 HydrophobicContact CD1-CG 4.32Å; Y1065-P1110 HydrophobicContact CD2-CG 3.98Å; Y1065-P1110 HydrophobicContact CE1-CB 4.48Å; Y1065-P1110 HydrophobicContact CE1-CG 4.34Å; Y1065-P1110 HydrophobicContact CE2-CB 4.41Å; Y1065-P1110 HydrophobicContact CE2-CG 4.02Å; Y1065-P1110 HydrophobicContact CG-CG 4.15Å; P1110-V1112 VanDerWaalsContact C-N 3.29Å; P1110-V1112 HydrophobicContact CB-CG2 3.71Å; P1110-V1112 PolarHBondContact O-N 2.77Å; P1110-V1112 VanDerWaalsContact O-N 3.16Å; P1110-H1125 PolarHBondContact O-CE1 2.84Å; P1110-H1125 PolarHBondContact O-ND1 3.36Å
1111E76.6Confident77.2Confident33 Ų3345.7 Ų45.715%0.15427%0.274CS..  trans45.948.2174.6-63.7-61.4164.900114.2K1008 R1109 S1113 R1123K1008-E1111 PolarHBondContact NZ-O 2.9Å; R1109-E1111 HydrophobicContact CB-CG 3.86Å; R1109-E1111 WeakPolarHBondContact CB-OE1 3.34Å; R1109-E1111 WeakPolarHBondContact CD-OE1 3.38Å; R1109-E1111 PolarHBondContact O-N 2.98Å; E1111-S1113 PolarHBondContact O-N 2.89Å; E1111-R1123 HydrophobicContact CB-CG 4.12Å; E1111-R1123 VanDerWaalsContact CD-CG 3.5Å; E1111-R1123 HydrophobicContact CG-CG 3.81Å; E1111-R1123 WeakPolarHBondContact OE2-CD 3.48Å; E1111-R1123 WeakPolarHBondContact OE2-CG 3.46Å; E1111-R1123 IonicContact OE2-NE 2.67Å
1112V59.9Low76.8Confident77 Ų7745.8 Ų45.847%0.46727%0.274SS..  trans-74.214.2-172.6-1400000114.3R1061 P1110R1061-V1112 HydrophobicContact CG-CG1 4.49Å; R1061-V1112 PolarHBondContact NH1-O 3.16Å; R1061-V1112 VanDerWaalsContact NH1-O 3.16Å; P1110-V1112 VanDerWaalsContact C-N 3.29Å; P1110-V1112 HydrophobicContact CB-CG2 3.71Å; P1110-V1112 PolarHBondContact O-N 2.77Å; P1110-V1112 VanDerWaalsContact O-N 3.16Å
1113S56.7Low76.3Confident55 Ų5549.1 Ų49.139%0.38529%0.287SS..  trans-107.1131.7179.964.50000111.9E1111 G1115 R1123E1111-S1113 PolarHBondContact O-N 2.89Å; S1113-G1115 VanDerWaalsContact C-N 3.31Å; S1113-G1115 PolarHBondContact O-N 3.11Å; S1113-R1123 PolarHBondContact OG-NH1 2.97Å
1114S46.5Very low75.8Confident121 Ų12149.2 Ų49.285%0.84629%0.287SS*.  trans-90.836.3-174.555.20000113.6
1115G48Very low75.4Confident33 Ų3349.6 Ų49.634%0.3429%0.287SS..  trans-66.1142.7179.400000112.6S1113 V1117 S1118S1113-G1115 VanDerWaalsContact C-N 3.31Å; S1113-G1115 PolarHBondContact O-N 3.11Å; G1115-V1117 PolarHBondContact O-N 3.25Å; G1115-V1117 VanDerWaalsContact O-N 3.11Å; G1115-S1118 WeakPolarHBondContact O-CB 3.4Å; G1115-S1118 PolarHBondContact O-N 3.05Å; G1115-S1118 PolarHBondContact O-OG 2.85Å
1116A41.1Very low75.2Confident94 Ų9453.3 Ų53.378%0.77730%0.303SS*.THydrogen-bonded Turntrans-60.4-20.6-174.100000114.9S1118A1116-S1118 VanDerWaalsContact C-N 3.32Å; A1116-S1118 PolarHBondContact O-N 2.84Å
1117V54.7Low75.2Confident77 Ų7751.4 Ų51.447%0.46730%0.296SS..THydrogen-bonded Turntrans-95.834.4-178.1-159.20000112.1G1115 Y1122G1115-V1117 PolarHBondContact O-N 3.25Å; G1115-V1117 VanDerWaalsContact O-N 3.11Å; V1117-Y1122 HydrophobicContact CG1-CD1 4.43Å; V1117-Y1122 HydrophobicContact CG1-CE1 4.35Å; V1117-Y1122 WeakPolarHBondContact O-CD1 3.09Å
1118S59.4Low75.3Confident27 Ų2752 Ų5219%0.18930%0.3CS..  trans-98.66.7-175.551.80000114.7G1115 A1116G1115-S1118 WeakPolarHBondContact O-CB 3.4Å; G1115-S1118 PolarHBondContact O-N 3.05Å; G1115-S1118 PolarHBondContact O-OG 2.85Å; A1116-S1118 VanDerWaalsContact C-N 3.32Å; A1116-S1118 PolarHBondContact O-N 2.84Å
1119H65.2Low75.4Confident145 Ų14550.1 Ų50.167%0.67129%0.293SS*.  trans-76.1144.7-173.7-73.641.6000112.7
1120G79.8Confident75.8Confident23 Ų2346.5 Ų46.524%0.23728%0.279CS..THydrogen-bonded Turntrans70.4-133.117500000114.1E988 V1124E988-G1120 WeakPolarHBondContact OE1-CA 3.49Å; G1120-V1124 WeakPolarHBondContact O-CG1 3.43Å
1121I87.6Confident76.4Confident2 Ų245.7 Ų45.71%0.0127%0.274CS..THydrogen-bonded Turntrans-96.110.9-175.563.4171.3000114.2E988 L997 T999 Y1010 V1124 T1238 L1241 I1242E988-I1121 PolarHBondContact OE1-N 2.96Å; E988-I1121 VanDerWaalsContact OE1-N 3.11Å; L997-I1121 HydrophobicContact CD1-CG2 3.69Å; L997-I1121 HydrophobicContact CD2-CG2 4.21Å; T999-I1121 HydrophobicContact CG2-CG2 4.46Å; Y1010-I1121 HydrophobicContact CD1-CG2 4.11Å; Y1010-I1121 HydrophobicContact CD2-CG2 3.9Å; Y1010-I1121 HydrophobicContact CE2-CG2 4.48Å; Y1010-I1121 HydrophobicContact CG-CG2 3.69Å; I1121-V1124 HydrophobicContact CB-CG1 4.47Å; I1121-T1238 WeakPolarHBondContact O-CB 3.48Å; I1121-T1238 PolarHBondContact O-OG1 2.88Å; I1121-L1241 HydrophobicContact CD1-CB 4.49Å; I1121-I1242 HydrophobicContact CD1-CG1 4.09Å; I1121-I1242 HydrophobicContact CG1-CD1 3.78Å; I1121-I1242 HydrophobicContact CG1-CG1 3.74Å
1122Y89.2Confident77.5Confident26 Ų2644.1 Ų44.110%0.10227%0.266CS..SBendtrans-72.8-43.7-177.4-171.2-100.7000113.6V1117 M1190 G1197 R1239 I1242V1117-Y1122 HydrophobicContact CG1-CD1 4.43Å; V1117-Y1122 HydrophobicContact CG1-CE1 4.35Å; V1117-Y1122 WeakPolarHBondContact O-CD1 3.09Å; Y1122-M1190 HydrophobicContact CD2-CE 4.18Å; Y1122-M1190 HydrophobicContact CD2-SD 3.98Å; Y1122-M1190 HydrophobicContact CE2-CE 3.74Å; Y1122-M1190 HydrophobicContact CE2-SD 3.69Å; Y1122-G1197 WeakPolarHBondContact OH-CA 3.4Å; Y1122-R1239 HydrophobicContact CD2-CG 4.1Å; Y1122-R1239 HydrophobicContact CE2-CG 4.3Å; Y1122-R1239 PolarHBondContact O-NE 2.67Å; Y1122-I1242 HydrophobicContact CD2-CD1 4Å; Y1122-I1242 HydrophobicContact CG-CD1 4.5Å
1123R87.2Confident79.3Confident70 Ų7040.5 Ų40.526%0.26424%0.244SC..SBendtrans-134.495.3-179.4-174.1172.8-76.8-178.90.5109.6E1111 S1113E1111-R1123 HydrophobicContact CB-CG 4.12Å; E1111-R1123 VanDerWaalsContact CD-CG 3.5Å; E1111-R1123 HydrophobicContact CG-CG 3.81Å; E1111-R1123 WeakPolarHBondContact OE2-CD 3.48Å; E1111-R1123 WeakPolarHBondContact OE2-CG 3.46Å; E1111-R1123 IonicContact OE2-NE 2.67Å; S1113-R1123 PolarHBondContact OG-NH1 2.97Å
1124V88.3Confident81.3Confident2 Ų237.9 Ų37.91%0.01223%0.226CC..  trans-124.9158.6-170.3-65.70000111.2K1008 Y1010 G1120 I1121 E1126 F1127K1008-V1124 WeakPolarHBondContact O-CB 3.44Å; K1008-V1124 WeakPolarHBondContact O-CG1 3.24Å; Y1010-V1124 HydrophobicContact CD1-CB 4.1Å; Y1010-V1124 HydrophobicContact CD1-CG1 3.79Å; Y1010-V1124 HydrophobicContact CD1-CG2 4.36Å; Y1010-V1124 HydrophobicContact CE1-CB 3.78Å; Y1010-V1124 HydrophobicContact CE1-CG1 3.88Å; Y1010-V1124 HydrophobicContact CE1-CG2 3.6Å; G1120-V1124 WeakPolarHBondContact O-CG1 3.43Å; I1121-V1124 HydrophobicContact CB-CG1 4.47Å; V1124-E1126 VanDerWaalsContact C-N 3.28Å; V1124-E1126 WeakPolarHBondContact CG2-O 3.38Å; V1124-E1126 PolarHBondContact O-N 3.38Å; V1124-F1127 HydrophobicContact CG2-CB 3.76Å; V1124-F1127 HydrophobicContact CG2-CD1 4.14Å; V1124-F1127 HydrophobicContact CG2-CG 4.36Å
1125H89.1Confident83.7Confident48 Ų4832.1 Ų32.122%0.22219%0.186CC..SBendtrans-69.3-28.3-179.7-66.7-51.2000113.4E1007 Y1065 Y1108 R1109 P1110E1007-H1125 PolarHBondContact O-CD2 3.45Å; E1007-H1125 PolarHBondContact O-NE2 2.85Å; Y1065-H1125 PolarHBondContact OH-CE1 3.17Å; Y1065-H1125 VanDerWaalsContact OH-CG 3.3Å; Y1065-H1125 PolarHBondContact OH-ND1 3.05Å; Y1108-H1125 CarbonylContact C-O 3.58Å; Y1108-H1125 VanDerWaalsContact CA-O 3.25Å; Y1108-H1125 WeakPolarHBondContact CA-O 3.49Å; R1109-H1125 PolarHBondContact N-O 3.4Å; R1109-H1125 WeakPolarHBondContact O-CA 3.42Å; R1109-H1125 PolarHBondContact O-ND1 3.3Å; P1110-H1125 PolarHBondContact O-CE1 2.84Å; P1110-H1125 PolarHBondContact O-ND1 3.36Å
1126E92.1Very high86Confident87 Ų8730.9 Ų30.941%0.40717%0.171SC..EExtended strand (participates in β ladder)trans-137.2116.4-173.1-177.4176.5-17700110Y1010 R1106 C1107 Y1108 V1124Y1010-E1126 WeakPolarHBondContact CE1-O 3.42Å; Y1010-E1126 VanDerWaalsContact CZ-O 3.3Å; Y1010-E1126 PolarHBondContact OH-O 3.26Å; R1106-E1126 IonicContact CZ-OE1 3.83Å; R1106-E1126 IonicContact NE-OE1 3.54Å; R1106-E1126 PolarHBondContact NE-OE1 2.65Å; R1106-E1126 IonicContact NH2-OE1 4Å; C1107-E1126 WeakPolarHBondContact O-CA 3.32Å; Y1108-E1126 HydrophobicContact CD1-CB 4.36Å; Y1108-E1126 HydrophobicContact CD1-CG 4.17Å; Y1108-E1126 HydrophobicContact CE1-CB 4.39Å; Y1108-E1126 HydrophobicContact CE1-CG 3.78Å; Y1108-E1126 PolarHBondContact OH-OE1 3.21Å; V1124-E1126 VanDerWaalsContact C-N 3.28Å; V1124-E1126 WeakPolarHBondContact CG2-O 3.38Å; V1124-E1126 PolarHBondContact O-N 3.38Å
1127F94.6Very high88.6Confident15 Ų1526.8 Ų26.87%0.06614%0.138CC..EExtended strand (participates in β ladder)trans-146.9154.5176.262.8-83.2000115Y1010 R1106 C1107 R1109 V1124 K1129 T1238Y1010-F1127 WeakPolarHBondContact OH-CA 3.26Å; R1106-F1127 VanDerWaalsContact CZ-O 3.28Å; R1106-F1127 PolarHBondContact NH1-O 3.31Å; R1106-F1127 VanDerWaalsContact NH2-CA 3.3Å; R1106-F1127 PolarHBondContact NH2-O 2.95Å; C1107-F1127 HydrophobicContact CB-CD1 4.33Å; C1107-F1127 HydrophobicContact CB-CD2 4.22Å; C1107-F1127 HydrophobicContact CB-CE1 3.88Å; C1107-F1127 HydrophobicContact CB-CE2 3.76Å; C1107-F1127 HydrophobicContact CB-CG 4.48Å; C1107-F1127 HydrophobicContact CB-CZ 3.57Å; C1107-F1127 WeakPolarHBondContact CB-O 3.38Å; C1107-F1127 PolarHBondContact N-O 3.07Å; C1107-F1127 PolarHBondContact O-N 3.12Å; C1107-F1127 VanDerWaalsContact O-N 3.08Å; R1109-F1127 HydrophobicContact CG-CE1 4.13Å; V1124-F1127 HydrophobicContact CG2-CB 3.76Å; V1124-F1127 HydrophobicContact CG2-CD1 4.14Å; V1124-F1127 HydrophobicContact CG2-CG 4.36Å; F1127-K1129 HydrophobicContact CE2-CB 4.26Å; F1127-K1129 HydrophobicContact CE2-CD 4.31Å; F1127-T1238 HydrophobicContact CB-CG2 3.64Å
1128T96.7Very high90.4Very high12 Ų1224.4 Ų24.47%0.07412%0.124CC..EExtended strand (participates in β ladder)trans-85.6136.1-175.5-51.30000109.7E1020 I1024 V1104 R1106 I1237E1020-T1128 WeakPolarHBondContact OE1-CB 3.34Å; E1020-T1128 PolarHBondContact OE1-OG1 3.07Å; I1024-T1128 HydrophobicContact CD1-CG2 3.75Å; I1024-T1128 HydrophobicContact CG1-CG2 4.19Å; V1104-T1128 HydrophobicContact CG1-CG2 3.97Å; R1106-T1128 VanDerWaalsContact NH1-CB 3.33Å; R1106-T1128 PolarHBondContact NH1-OG1 2.98Å; T1128-I1237 HydrophobicContact CG2-CG1 3.92Å; T1128-I1237 WeakPolarHBondContact O-CB 3.27Å; T1128-I1237 VanDerWaalsContact O-CG1 3.29Å; T1128-I1237 WeakPolarHBondContact O-CG1 3.42Å; T1128-I1237 PolarHBondContact O-N 2.87Å
1129K96.9Very high91.9Very high9 Ų926.1 Ų26.14%0.03913%0.129CC..EExtended strand (participates in β ladder)trans-136.2140.1176.8-164.5168.769.9134.50110.9T1078 S1105 C1107 F1127 E1131 T1233 C1235T1078-K1129 VanDerWaalsContact OG1-CE 3.28Å; T1078-K1129 WeakPolarHBondContact OG1-CE 3.38Å; T1078-K1129 PolarHBondContact OG1-NZ 2.92Å; S1105-K1129 PolarHBondContact N-O 3.12Å; S1105-K1129 VanDerWaalsContact N-O 3.13Å; S1105-K1129 PolarHBondContact O-N 3.14Å; C1107-K1129 VanDerWaalsContact SG-CB 3.55Å; F1127-K1129 HydrophobicContact CE2-CB 4.26Å; F1127-K1129 HydrophobicContact CE2-CD 4.31Å; K1129-E1131 VanDerWaalsContact CE-OE2 3.24Å; K1129-E1131 WeakPolarHBondContact CE-OE2 3.15Å; K1129-E1131 IonicContact NZ-OE1 3.25Å; K1129-E1131 PolarHBondContact NZ-OE1 3.1Å; K1129-E1131 IonicContact NZ-OE2 3.8Å; K1129-E1131 PolarHBondContact NZ-OE2 2.89Å; K1129-T1233 HydrophobicContact CD-CG2 3.72Å; K1129-T1233 HydrophobicContact CG-CG2 3.77Å; K1129-T1233 PolarHBondContact NZ-OG1 3.25Å; K1129-C1235 WeakPolarHBondContact CA-O 3.29Å
1130V97.7Very high93Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-101112.9166.4-171.10000107.7C1027 L1031 F1102 S1103 V1104 A1234 C1235C1027-V1130 HydrophobicContact CB-CB 4.31Å; C1027-V1130 HydrophobicContact CB-CG1 4.14Å; C1027-V1130 HydrophobicContact CB-CG2 4.07Å; L1031-V1130 HydrophobicContact CD1-CG1 4.07Å; F1102-V1130 HydrophobicContact CD2-CG1 4.11Å; S1103-V1130 CarbonylContact O-C 3.6Å; S1103-V1130 WeakPolarHBondContact O-CA 3.21Å; V1104-V1130 HydrophobicContact CG1-CG2 4.48Å; V1104-V1130 HydrophobicContact CG2-CG1 4.33Å; V1104-V1130 HydrophobicContact CG2-CG2 4.09Å; V1130-A1234 HydrophobicContact CB-CB 4.16Å; V1130-A1234 HydrophobicContact CG1-CB 4.05Å; V1130-A1234 WeakPolarHBondContact O-CB 3.34Å; V1130-A1234 PolarHBondContact O-N 3.21Å; V1130-C1235 PolarHBondContact N-O 2.87Å; V1130-C1235 PolarHBondContact O-N 3.34Å
1131E98Very high93.2Very high4 Ų425.1 Ų25.12%0.01914%0.138CC..EExtended strand (participates in β ladder)trans-105.9136.1-177.1-164.776.1148.400111.1T1078 A1079 E1080 F1102 S1103 K1129 T1233T1078-E1131 PolarHBondContact OG1-OE1 2.81Å; A1079-E1131 HydrophobicContact CB-CB 3.9Å; E1080-E1131 HydrophobicContact CB-CG 4.22Å; F1102-E1131 CarbonylContact C-O 3.55Å; F1102-E1131 WeakPolarHBondContact CA-O 3.38Å; F1102-E1131 VanDerWaalsContact CB-O 3.3Å; F1102-E1131 WeakPolarHBondContact CB-O 3.44Å; S1103-E1131 PolarHBondContact N-O 3.41Å; S1103-E1131 PolarHBondContact O-N 2.66Å; K1129-E1131 VanDerWaalsContact CE-OE2 3.24Å; K1129-E1131 WeakPolarHBondContact CE-OE2 3.15Å; K1129-E1131 IonicContact NZ-OE1 3.25Å; K1129-E1131 PolarHBondContact NZ-OE1 3.1Å; K1129-E1131 IonicContact NZ-OE2 3.8Å; K1129-E1131 PolarHBondContact NZ-OE2 2.89Å; E1131-T1233 VanDerWaalsContact OE2-CA 3.26Å; E1131-T1233 WeakPolarHBondContact OE2-CA 3.49Å; E1131-T1233 PolarHBondContact OE2-OG1 2.8Å
1132M98.4Very high93.4Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-101.1142.3167.3-64-179.9-76.100110.1L1031 F1036 Y1101 I1151 I1154 Q1155 N1231 G1232 A1234L1031-M1132 HydrophobicContact CD1-CG 3.99Å; L1031-M1132 HydrophobicContact CD1-SD 4.43Å; L1031-M1132 HydrophobicContact CD2-CG 4.02Å; L1031-M1132 HydrophobicContact CD2-SD 3.42Å; L1031-M1132 WeakPolarHBondContact CD2-SD 3.45Å; F1036-M1132 HydrophobicContact CD1-CB 4.46Å; F1036-M1132 HydrophobicContact CD1-CG 4.37Å; F1036-M1132 HydrophobicContact CE1-CB 3.8Å; F1036-M1132 HydrophobicContact CE1-CG 3.95Å; F1036-M1132 HydrophobicContact CE1-SD 4.15Å; F1036-M1132 HydrophobicContact CZ-CB 4.44Å; F1036-M1132 HydrophobicContact CZ-CG 4.41Å; F1036-M1132 HydrophobicContact CZ-SD 3.99Å; Y1101-M1132 WeakPolarHBondContact O-CA 3.34Å; M1132-I1151 HydrophobicContact CE-CG2 3.81Å; M1132-I1154 HydrophobicContact CE-CG2 4.1Å; M1132-I1154 HydrophobicContact SD-CB 4.47Å; M1132-I1154 HydrophobicContact SD-CD1 4.43Å; M1132-I1154 HydrophobicContact SD-CG2 3.84Å; M1132-Q1155 HydrophobicContact CE-CG 3.82Å; M1132-N1231 CarbonylContact O-C 3.49Å; M1132-N1231 WeakPolarHBondContact O-CA 3.26Å; M1132-G1232 WeakPolarHBondContact CA-O 3.3Å; M1132-G1232 VanDerWaalsContact CB-O 3.31Å; M1132-G1232 WeakPolarHBondContact CB-O 3.49Å; M1132-G1232 PolarHBondContact N-O 2.86Å; M1132-G1232 PolarHBondContact O-N 3.31Å; M1132-A1234 HydrophobicContact CE-CB 3.94Å; M1132-A1234 HydrophobicContact CG-CB 4.09Å; M1132-A1234 HydrophobicContact SD-CB 4.33Å
1133F98.2Very high93.7Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-144.3138.3177.2-168.3-80.6000109.9E1080 I1083 I1087 Y1101 T1229 V1230 N1231E1080-F1133 HydrophobicContact CG-CD2 3.96Å; E1080-F1133 HydrophobicContact CG-CE2 3.94Å; I1083-F1133 HydrophobicContact CB-CB 4.3Å; I1083-F1133 HydrophobicContact CB-CG 4.28Å; I1083-F1133 HydrophobicContact CD1-CB 3.73Å; I1083-F1133 HydrophobicContact CG2-CB 3.83Å; I1083-F1133 HydrophobicContact CG2-CD1 3.68Å; I1083-F1133 HydrophobicContact CG2-CD2 4.41Å; I1083-F1133 HydrophobicContact CG2-CE1 4.38Å; I1083-F1133 HydrophobicContact CG2-CG 3.7Å; I1087-F1133 HydrophobicContact CD1-CE1 3.57Å; I1087-F1133 HydrophobicContact CD1-CZ 3.81Å; Y1101-F1133 PolarHBondContact N-O 3.15Å; Y1101-F1133 PolarHBondContact O-N 2.98Å; Y1101-F1133 VanDerWaalsContact O-O 3.14Å; F1133-T1229 HydrophobicContact CE1-CG2 4.05Å; F1133-T1229 HydrophobicContact CZ-CG2 3.7Å; F1133-V1230 CarbonylContact C-O 3.6Å; F1133-V1230 WeakPolarHBondContact CA-O 3.45Å; F1133-N1231 HydrophobicContact CD2-CB 4.13Å
1134A97.8Very high94.1Very high1 Ų129.2 Ų29.21%0.00816%0.159CC..EExtended strand (participates in β ladder)trans-135.3140.4177.800000112.3K1099 K1100 I1147 T1229 V1230K1099-A1134 CarbonylContact O-C 3.53Å; K1099-A1134 WeakPolarHBondContact O-CA 3.42Å; K1100-A1134 HydrophobicContact CG-CB 4.28Å; A1134-I1147 HydrophobicContact CB-CG2 3.58Å; A1134-T1229 WeakPolarHBondContact O-CA 3.39Å; A1134-V1230 PolarHBondContact N-O 3.06Å; A1134-V1230 PolarHBondContact O-N 3.46Å
1135C97.4Very high94.5Very high0 Ų030.3 Ų30.30%017%0.165CC..EExtended strand (participates in β ladder)trans-105.4132.8164.5-61.50000108.6I1087 F1092 L1097 P1098 K1099 V1227 H1228I1087-C1135 VanDerWaalsContact CD1-SG 3.57Å; F1092-C1135 HydrophobicContact CE2-CB 4.32Å; L1097-C1135 HydrophobicContact CD2-CB 4.08Å; L1097-C1135 WeakPolarHBondContact CD2-O 3.46Å; P1098-C1135 CarbonylContact C-O 3.5Å; P1098-C1135 VanDerWaalsContact CA-O 3.23Å; P1098-C1135 WeakPolarHBondContact CA-O 3.29Å; K1099-C1135 HydrophobicContact CB-CB 4.39Å; K1099-C1135 PolarHBondContact N-O 3.16Å; K1099-C1135 PolarHBondContact O-N 2.68Å; C1135-V1227 HydrophobicContact CB-CB 4.33Å; C1135-V1227 HydrophobicContact CB-CG2 4.18Å; C1135-H1228 WeakPolarHBondContact CA-O 3.47Å
1136T97.3Very high94.8Very high6 Ų634.7 Ų34.74%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-134.1158.1176-171.20000112.3E1143 I1147 V1227 H1228T1136-E1143 HydrophobicContact CG2-CB 4.17Å; T1136-I1147 HydrophobicContact CG2-CG1 4.29Å; T1136-V1227 WeakPolarHBondContact O-CA 3.47Å; T1136-H1228 HydrophobicContact CG2-CB 3.99Å; T1136-H1228 PolarHBondContact N-O 3.46Å; T1136-H1228 PolarHBondContact O-N 3.24Å
1137A94.6Very high95.1Very high8 Ų831.1 Ų31.17%0.06617%0.169CC..  trans-67.4168.8169.200000110.3E1094 L1097 E1143 Y1217E1094-A1137 HydrophobicContact CG-CB 4.28Å; L1097-A1137 HydrophobicContact CB-CB 4.43Å; L1097-A1137 HydrophobicContact CD1-CB 3.95Å; A1137-E1143 WeakPolarHBondContact O-CB 3.4Å; A1137-Y1217 HydrophobicContact CB-CD2 4.14Å; A1137-Y1217 HydrophobicContact CB-CE1 4.34Å; A1137-Y1217 HydrophobicContact CB-CE2 3.66Å
1138C92.4Very high95.2Very high28 Ų2830.5 Ų30.519%0.18917%0.166CC..  trans-135.440.2179.461.90000111.2E1143 Y1217 H1228C1138-E1143 WeakPolarHBondContact CA-OE2 3.08Å; C1138-Y1217 PolarHBondContact N-OH 3.44Å; C1138-Y1217 PolarHBondContact SG-OH 3.31Å; C1138-H1228 WeakPolarHBondContact CB-NE2 3.31Å
1139E91.2Very high95.3Very high63 Ų6336.8 Ų36.829%0.29419%0.188SC..SBendtrans-67-39-175.3-70.8-56.5128.500112.6E1143 Y1217 S1219 K1225E1139-E1143 PolarHBondContact N-OE1 3.08Å; E1139-Y1217 HydrophobicContact CG-CE2 4.43Å; E1139-Y1217 VanDerWaalsContact OE1-CE2 3.23Å; E1139-Y1217 WeakPolarHBondContact OE1-CE2 3.36Å; E1139-Y1217 PolarHBondContact OE1-OH 2.87Å; E1139-S1219 WeakPolarHBondContact OE1-CB 3.39Å; E1139-K1225 IonicContact OE1-NZ 3.37Å; E1139-K1225 PolarHBondContact OE1-NZ 2.87Å; E1139-K1225 IonicContact OE2-NZ 2.63Å; E1139-K1225 PolarHBondContact OE2-NZ 3.25Å
1140T89.3Confident95.3Very high102 Ų10239.4 Ų39.463%0.62620%0.201SC*.SBendtrans-102.4-11.8179.3660000113.2K1142 E1143T1140-K1142 PolarHBondContact O-N 3.5Å; T1140-K1142 PolarHBondContact OG1-N 2.85Å; T1140-E1143 WeakPolarHBondContact CB-OE1 3.06Å; T1140-E1143 WeakPolarHBondContact CG2-OE1 3.11Å; T1140-E1143 PolarHBondContact N-OE1 3.3Å; T1140-E1143 PolarHBondContact N-OE2 2.77Å; T1140-E1143 PolarHBondContact OG1-OE1 2.72Å; T1140-E1143 PolarHBondContact OG1-OE2 3.25Å; T1140-E1143 VanDerWaalsContact OG1-OE2 3.08Å
1141G83.7Confident95.3Very high45 Ų4539.4 Ų39.446%0.46420%0.201SC..SBendtrans77.94.8-174.100000114E1143G1141-E1143 PolarHBondContact N-OE2 3.41Å
1142K90.9Very high95.3Very high150 Ų15040 Ų4065%0.65220%0.204SC*.  trans-112.1-12.1-177-64.2-176.5179.6-179.90113.7T1140 S1144 D1145 Q1146T1140-K1142 PolarHBondContact O-N 3.5Å; T1140-K1142 PolarHBondContact OG1-N 2.85Å; K1142-S1144 PolarHBondContact O-N 2.95Å; K1142-D1145 PolarHBondContact O-N 2.61Å; K1142-Q1146 PolarHBondContact O-N 3.47Å
1143E95.2Very high95.3Very high32 Ų3243.9 Ų43.915%0.1522%0.222CC..Hα-helixtrans-62.7-43.9-172.6-65.281.9179.300111.8T1136 A1137 C1138 E1139 T1140 G1141 D1145 Q1146 I1147T1136-E1143 HydrophobicContact CG2-CB 4.17Å; A1137-E1143 WeakPolarHBondContact O-CB 3.4Å; C1138-E1143 WeakPolarHBondContact CA-OE2 3.08Å; E1139-E1143 PolarHBondContact N-OE1 3.08Å; T1140-E1143 WeakPolarHBondContact CB-OE1 3.06Å; T1140-E1143 WeakPolarHBondContact CG2-OE1 3.11Å; T1140-E1143 PolarHBondContact N-OE1 3.3Å; T1140-E1143 PolarHBondContact N-OE2 2.77Å; T1140-E1143 PolarHBondContact OG1-OE1 2.72Å; T1140-E1143 PolarHBondContact OG1-OE2 3.25Å; T1140-E1143 VanDerWaalsContact OG1-OE2 3.08Å; G1141-E1143 PolarHBondContact N-OE2 3.41Å; E1143-D1145 VanDerWaalsContact C-N 3.34Å; E1143-D1145 PolarHBondContact O-N 3.13Å; E1143-Q1146 WeakPolarHBondContact O-CB 3.46Å; E1143-Q1146 PolarHBondContact O-N 3.03Å; E1143-Q1146 VanDerWaalsContact O-N 3.17Å; E1143-I1147 WeakPolarHBondContact O-CG1 3.41Å; E1143-I1147 PolarHBondContact O-N 3.39Å
1144S96.4Very high95.3Very high1 Ų144.2 Ų44.21%0.00722%0.224CC..Hα-helixtrans-69.5-31.718067.90000112.9K1142 Q1146 I1147 H1148 N1204 H1228K1142-S1144 PolarHBondContact O-N 2.95Å; S1144-Q1146 VanDerWaalsContact C-N 3.32Å; S1144-I1147 PolarHBondContact O-N 2.94Å; S1144-H1148 VanDerWaalsContact O-CB 3.22Å; S1144-H1148 WeakPolarHBondContact O-CB 3.42Å; S1144-H1148 PolarHBondContact O-N 2.95Å; S1144-N1204 WeakPolarHBondContact CB-OD1 3.05Å; S1144-N1204 PolarHBondContact OG-ND2 2.61Å; S1144-N1204 VanDerWaalsContact OG-ND2 3.09Å; S1144-N1204 PolarHBondContact OG-OD1 3.36Å; S1144-N1204 VanDerWaalsContact OG-OD1 3.07Å; S1144-H1228 PolarHBondContact OG-ND1 3.14Å
1145D96.1Very high95.3Very high26 Ų2644.1 Ų44.114%0.13922%0.223CC..Hα-helixtrans-67.4-33.5170.9-67.2-26.8000112.4K1142 E1143 R1149 N1204K1142-D1145 PolarHBondContact O-N 2.61Å; E1143-D1145 VanDerWaalsContact C-N 3.34Å; E1143-D1145 PolarHBondContact O-N 3.13Å; D1145-R1149 WeakPolarHBondContact O-CB 3.38Å; D1145-R1149 WeakPolarHBondContact O-CG 3.28Å; D1145-R1149 PolarHBondContact O-N 3.27Å; D1145-N1204 PolarHBondContact OD1-ND2 3.17Å
1146Q96.5Very high95.3Very high139 Ų13946 Ų4665%0.6523%0.232SC*.Hα-helixtrans-68-45.6175.6-173.9175.47.500111.1K1142 E1143 S1144 H1148 R1149 E1150K1142-Q1146 PolarHBondContact O-N 3.47Å; E1143-Q1146 WeakPolarHBondContact O-CB 3.46Å; E1143-Q1146 PolarHBondContact O-N 3.03Å; E1143-Q1146 VanDerWaalsContact O-N 3.17Å; S1144-Q1146 VanDerWaalsContact C-N 3.32Å; Q1146-H1148 VanDerWaalsContact C-N 3.35Å; Q1146-R1149 PolarHBondContact O-N 3.4Å; Q1146-E1150 PolarHBondContact O-N 3.05Å
1147I97.1Very high95.2Very high12 Ų1249.2 Ų49.26%0.06225%0.246CC..Hα-helixtrans-66.2-37.6176.3-62.1-60.4000111.5P1098 A1134 T1136 E1143 S1144 E1150 I1151 V1230P1098-I1147 HydrophobicContact CB-CD1 3.76Å; P1098-I1147 HydrophobicContact CB-CG1 4.27Å; P1098-I1147 HydrophobicContact CG-CD1 3.8Å; A1134-I1147 HydrophobicContact CB-CG2 3.58Å; T1136-I1147 HydrophobicContact CG2-CG1 4.29Å; E1143-I1147 WeakPolarHBondContact O-CG1 3.41Å; E1143-I1147 PolarHBondContact O-N 3.39Å; S1144-I1147 PolarHBondContact O-N 2.94Å; I1147-E1150 WeakPolarHBondContact O-CB 3.48Å; I1147-E1150 PolarHBondContact O-N 2.72Å; I1147-I1151 HydrophobicContact CG2-CD1 4.25Å; I1147-I1151 PolarHBondContact O-N 3.18Å; I1147-V1230 HydrophobicContact CB-CG2 4.33Å; I1147-V1230 HydrophobicContact CG2-CB 4.14Å; I1147-V1230 HydrophobicContact CG2-CG1 4.42Å; I1147-V1230 HydrophobicContact CG2-CG2 4.17Å
1148H98Very high95.1Very high2 Ų248.9 Ų48.91%0.00924%0.243CC..Hα-helixtrans-62.3-42.7175.1-172.8-155.2000112S1144 Q1146 I1151 L1152 R1182 F1184 A1202 N1204 V1230S1144-H1148 VanDerWaalsContact O-CB 3.22Å; S1144-H1148 WeakPolarHBondContact O-CB 3.42Å; S1144-H1148 PolarHBondContact O-N 2.95Å; Q1146-H1148 VanDerWaalsContact C-N 3.35Å; H1148-I1151 PolarHBondContact O-N 3Å; H1148-L1152 PolarHBondContact O-N 3.22Å; H1148-R1182 PolarHBondContact CE1-O 3.34Å; H1148-F1184 AromaticContact CE1-CD2 3.21Å; H1148-F1184 WeakPolarHBondContact CE1-CD2 2.91Å; H1148-F1184 AromaticContact CE1-CE2 3.29Å; H1148-F1184 WeakPolarHBondContact CE1-CE2 3.1Å; H1148-F1184 AromaticContact ND1-CD2 3.83Å; H1148-F1184 AromaticContact ND1-CE2 3.5Å; H1148-F1184 WeakPolarHBondContact ND1-CE2 3.33Å; H1148-F1184 AromaticContact NE2-CD2 3.34Å; H1148-F1184 VanDerWaalsContact NE2-CD2 3.34Å; H1148-F1184 WeakPolarHBondContact NE2-CD2 3.23Å; H1148-F1184 AromaticContact NE2-CE2 3.85Å; H1148-A1202 VanDerWaalsContact NE2-C 3.28Å; H1148-A1202 PolarHBondContact NE2-O 3.48Å; H1148-N1204 HydrophobicContact CB-CB 4.11Å; H1148-V1230 HydrophobicContact CB-CG1 3.89Å
1149R97.4Very high95.2Very high145 Ų14547.6 Ų47.655%0.54723%0.234SC..Hα-helixtrans-64.8-38.5171.8-79.9-174-98.1-114.2-1.1113.1D1145 Q1146 L1152 E1153D1145-R1149 WeakPolarHBondContact O-CB 3.38Å; D1145-R1149 WeakPolarHBondContact O-CG 3.28Å; D1145-R1149 PolarHBondContact O-N 3.27Å; Q1146-R1149 PolarHBondContact O-N 3.4Å; R1149-L1152 PolarHBondContact O-N 2.86Å; R1149-E1153 PolarHBondContact O-N 3.05Å
1150E97.7Very high95.2Very high63 Ų6346.3 Ų46.329%0.29424%0.238SC..Hα-helixtrans-61.4-48.4175.6-169.6-169.115300111.3K1100 Q1146 I1147 L1152 E1153 I1154K1100-E1150 IonicContact NZ-OE1 2.85Å; K1100-E1150 PolarHBondContact NZ-OE1 3.41Å; K1100-E1150 IonicContact NZ-OE2 2.71Å; K1100-E1150 PolarHBondContact NZ-OE2 3.27Å; Q1146-E1150 PolarHBondContact O-N 3.05Å; I1147-E1150 WeakPolarHBondContact O-CB 3.48Å; I1147-E1150 PolarHBondContact O-N 2.72Å; E1150-L1152 VanDerWaalsContact C-N 3.34Å; E1150-L1152 PolarHBondContact O-N 2.98Å; E1150-E1153 PolarHBondContact O-N 3.02Å; E1150-I1154 HydrophobicContact CG-CD1 4.35Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.29Å; E1150-I1154 PolarHBondContact O-N 2.87Å
1151I98.1Very high95.2Very high1 Ų149 Ų491%0.00524%0.237CC..Hα-helixtrans-59.3-44.4176.4-77.1176.3000111.1F1036 M1132 I1147 H1148 E1153 I1154 Q1155 A1202 V1230F1036-I1151 HydrophobicContact CZ-CG1 4.35Å; M1132-I1151 HydrophobicContact CE-CG2 3.81Å; I1147-I1151 HydrophobicContact CG2-CD1 4.25Å; I1147-I1151 PolarHBondContact O-N 3.18Å; H1148-I1151 PolarHBondContact O-N 3Å; I1151-E1153 VanDerWaalsContact C-N 3.32Å; I1151-E1153 PolarHBondContact O-N 2.93Å; I1151-I1154 WeakPolarHBondContact O-CB 3.46Å; I1151-I1154 PolarHBondContact O-N 2.63Å; I1151-Q1155 WeakPolarHBondContact O-CG 3.26Å; I1151-Q1155 PolarHBondContact O-N 3.07Å; I1151-A1202 HydrophobicContact CG2-CB 3.88Å; I1151-V1230 HydrophobicContact CD1-CB 4.34Å; I1151-V1230 HydrophobicContact CD1-CG1 3.8Å
1152L97.9Very high95.5Very high17 Ų1747.3 Ų47.39%0.08922%0.217CC..Hα-helixtrans-59.9-42.7176.9178.163000111.8H1148 R1149 E1150 Q1155 K1156 V1168 F1184 I1186H1148-L1152 PolarHBondContact O-N 3.22Å; R1149-L1152 PolarHBondContact O-N 2.86Å; E1150-L1152 VanDerWaalsContact C-N 3.34Å; E1150-L1152 PolarHBondContact O-N 2.98Å; L1152-Q1155 WeakPolarHBondContact O-CB 3.42Å; L1152-Q1155 PolarHBondContact O-N 2.88Å; L1152-K1156 HydrophobicContact CG-CD 4.35Å; L1152-K1156 WeakPolarHBondContact O-CG 3.15Å; L1152-K1156 PolarHBondContact O-N 2.84Å; L1152-V1168 HydrophobicContact CD1-CG1 3.82Å; L1152-V1168 HydrophobicContact CD2-CG1 4.21Å; L1152-F1184 HydrophobicContact CD1-CB 4.04Å; L1152-F1184 HydrophobicContact CD2-CB 4.37Å; L1152-F1184 HydrophobicContact CD2-CD2 3.83Å; L1152-F1184 HydrophobicContact CD2-CE2 4.27Å; L1152-F1184 HydrophobicContact CD2-CG 4.05Å; L1152-I1186 HydrophobicContact CD1-CD1 4.17Å; L1152-I1186 HydrophobicContact CD1-CG1 4.34Å
1153E97.8Very high95.3Very high81 Ų8145.3 Ų45.338%0.37921%0.21SC..Hα-helixtrans-68.3-35.7179.1-16955.7-149.900111.9R1149 E1150 I1151 K1156 Q1157R1149-E1153 PolarHBondContact O-N 3.05Å; E1150-E1153 PolarHBondContact O-N 3.02Å; I1151-E1153 VanDerWaalsContact C-N 3.32Å; I1151-E1153 PolarHBondContact O-N 2.93Å; E1153-K1156 PolarHBondContact O-N 2.68Å; E1153-K1156 IonicContact OE2-NZ 3.91Å; E1153-K1156 PolarHBondContact OE2-NZ 3.31Å; E1153-Q1157 WeakPolarHBondContact O-CB 3.4Å; E1153-Q1157 VanDerWaalsContact O-CG 3.23Å; E1153-Q1157 WeakPolarHBondContact O-CG 3.14Å; E1153-Q1157 PolarHBondContact O-N 3.18Å
1154I97.9Very high95.2Very high6 Ų643.9 Ų43.93%0.03120%0.203CC..Hα-helixtrans-60.8-45.7171-68.6167.9000110.8Y1030 L1031 L1034 F1036 M1132 E1150 I1151 K1156 Q1157 L1158Y1030-I1154 HydrophobicContact CD1-CG2 4.32Å; Y1030-I1154 HydrophobicContact CE1-CG2 4.23Å; L1031-I1154 HydrophobicContact CD2-CG2 3.7Å; L1034-I1154 HydrophobicContact CD1-CD1 3.84Å; L1034-I1154 HydrophobicContact CD1-CG1 3.83Å; L1034-I1154 HydrophobicContact CD1-CG2 4.49Å; F1036-I1154 HydrophobicContact CE2-CD1 3.65Å; F1036-I1154 HydrophobicContact CZ-CD1 4.13Å; M1132-I1154 HydrophobicContact CE-CG2 4.1Å; M1132-I1154 HydrophobicContact SD-CB 4.47Å; M1132-I1154 HydrophobicContact SD-CD1 4.43Å; M1132-I1154 HydrophobicContact SD-CG2 3.84Å; E1150-I1154 HydrophobicContact CG-CD1 4.35Å; E1150-I1154 WeakPolarHBondContact O-CG1 3.29Å; E1150-I1154 PolarHBondContact O-N 2.87Å; I1151-I1154 WeakPolarHBondContact O-CB 3.46Å; I1151-I1154 PolarHBondContact O-N 2.63Å; I1154-K1156 PolarHBondContact O-N 3.08Å; I1154-Q1157 PolarHBondContact O-N 3.2Å; I1154-L1158 HydrophobicContact CG2-CD1 4.07Å; I1154-L1158 HydrophobicContact CG2-CG 4.47Å; I1154-L1158 WeakPolarHBondContact O-CG 3.46Å; I1154-L1158 PolarHBondContact O-N 2.86Å
1155Q98Very high95.1Very high0 Ų044.3 Ų44.30%021%0.205CC..Hα-helixtrans-59.8-46.9177.5-68.5167.8-30.200111.1M1132 I1151 L1152 Q1157 L1158 F1159 I1186 S1200 S1201 T1233M1132-Q1155 HydrophobicContact CE-CG 3.82Å; I1151-Q1155 WeakPolarHBondContact O-CG 3.26Å; I1151-Q1155 PolarHBondContact O-N 3.07Å; L1152-Q1155 WeakPolarHBondContact O-CB 3.42Å; L1152-Q1155 PolarHBondContact O-N 2.88Å; Q1155-Q1157 VanDerWaalsContact C-N 3.31Å; Q1155-Q1157 PolarHBondContact O-N 3.3Å; Q1155-L1158 PolarHBondContact O-N 3.07Å; Q1155-F1159 HydrophobicContact CB-CE2 4.16Å; Q1155-F1159 WeakPolarHBondContact O-CD2 3.44Å; Q1155-F1159 PolarHBondContact O-N 3.41Å; Q1155-F1159 VanDerWaalsContact O-N 3.07Å; Q1155-I1186 HydrophobicContact CB-CD1 3.61Å; Q1155-S1200 PolarHBondContact NE2-OG 3.44Å; Q1155-S1201 PolarHBondContact NE2-O 3.23Å; Q1155-T1233 PolarHBondContact NE2-O 3.38Å
1156K97.2Very high95.2Very high40 Ų4043.1 Ų43.117%0.17420%0.199CC..Hα-helixtrans-58.3-41.9175.7-70.517063.2-162.80112.2D972 L1152 E1153 I1154 G1160 F1166 V1168 I1186D972-K1156 WeakPolarHBondContact OD2-CE 3.49Å; D972-K1156 IonicContact OD2-NZ 3.41Å; D972-K1156 PolarHBondContact OD2-NZ 3.13Å; L1152-K1156 HydrophobicContact CG-CD 4.35Å; L1152-K1156 WeakPolarHBondContact O-CG 3.15Å; L1152-K1156 PolarHBondContact O-N 2.84Å; E1153-K1156 PolarHBondContact O-N 2.68Å; E1153-K1156 IonicContact OE2-NZ 3.91Å; E1153-K1156 PolarHBondContact OE2-NZ 3.31Å; I1154-K1156 PolarHBondContact O-N 3.08Å; K1156-G1160 WeakPolarHBondContact O-CA 3.28Å; K1156-G1160 PolarHBondContact O-N 3.47Å; K1156-F1166 HydrophobicContact CB-CE2 4.43Å; K1156-F1166 HydrophobicContact CB-CZ 4.25Å; K1156-F1166 HydrophobicContact CG-CE2 4.11Å; K1156-F1166 HydrophobicContact CG-CZ 4.42Å; K1156-V1168 HydrophobicContact CD-CG2 4.21Å; K1156-V1168 HydrophobicContact CG-CG2 4.08Å; K1156-I1186 HydrophobicContact CG-CD1 4.2Å
1157Q95.7Very high95.3Very high72 Ų7240 Ų4034%0.33618%0.181SC..Hα-helixtrans-67.9-41.3178.9-72.2170.67.500112.5Y1030 E1153 I1154 Q1155 R1161Y1030-Q1157 HydrophobicContact CE1-CB 4.33Å; Y1030-Q1157 WeakPolarHBondContact OH-CB 3.24Å; Y1030-Q1157 PolarHBondContact OH-OE1 3.34Å; E1153-Q1157 WeakPolarHBondContact O-CB 3.4Å; E1153-Q1157 VanDerWaalsContact O-CG 3.23Å; E1153-Q1157 WeakPolarHBondContact O-CG 3.14Å; E1153-Q1157 PolarHBondContact O-N 3.18Å; I1154-Q1157 PolarHBondContact O-N 3.2Å; Q1155-Q1157 VanDerWaalsContact C-N 3.31Å; Q1155-Q1157 PolarHBondContact O-N 3.3Å; Q1157-R1161 WeakPolarHBondContact O-CB 3.49Å; Q1157-R1161 VanDerWaalsContact O-CG 3.23Å; Q1157-R1161 WeakPolarHBondContact O-CG 3.45Å; Q1157-R1161 PolarHBondContact O-N 3.37Å
1158L93.3Very high95.3Very high1 Ų139.5 Ų39.51%0.00518%0.179CC..Hα-helixtrans-59.2-52.1175.6-75.8169.7000111F1026 Y1030 I1154 Q1155 R1161 L1162 A1234F1026-L1158 HydrophobicContact CD1-CD2 4.2Å; F1026-L1158 HydrophobicContact CE1-CB 4.43Å; F1026-L1158 HydrophobicContact CE1-CD2 3.55Å; F1026-L1158 HydrophobicContact CZ-CD2 3.97Å; Y1030-L1158 HydrophobicContact CD1-CD2 3.61Å; Y1030-L1158 HydrophobicContact CD1-CG 3.96Å; Y1030-L1158 HydrophobicContact CD2-CD2 4.48Å; Y1030-L1158 HydrophobicContact CE1-CD2 4.37Å; Y1030-L1158 HydrophobicContact CE1-CG 4.37Å; Y1030-L1158 HydrophobicContact CG-CD2 3.68Å; I1154-L1158 HydrophobicContact CG2-CD1 4.07Å; I1154-L1158 HydrophobicContact CG2-CG 4.47Å; I1154-L1158 WeakPolarHBondContact O-CG 3.46Å; I1154-L1158 PolarHBondContact O-N 2.86Å; Q1155-L1158 PolarHBondContact O-N 3.07Å; L1158-R1161 PolarHBondContact O-N 3.13Å; L1158-L1162 WeakPolarHBondContact O-CG 3.38Å; L1158-L1162 PolarHBondContact O-N 2.85Å; L1158-A1234 HydrophobicContact CD1-CB 3.89Å
1159F94.5Very high95.3Very high1 Ų139.8 Ų39.80%0.00418%0.18CC..Hα-helixtrans-72.4-32-178.6-57.8-49.7000113.1Q1155 L1162 E1163 L1164 F1166 I1186 I1199 A1234Q1155-F1159 HydrophobicContact CB-CE2 4.16Å; Q1155-F1159 WeakPolarHBondContact O-CD2 3.44Å; Q1155-F1159 PolarHBondContact O-N 3.41Å; Q1155-F1159 VanDerWaalsContact O-N 3.07Å; F1159-L1162 HydrophobicContact CD1-CD1 4.37Å; F1159-L1162 PolarHBondContact O-N 3.24Å; F1159-E1163 PolarHBondContact O-N 3.34Å; F1159-L1164 HydrophobicContact CB-CD1 4.5Å; F1159-L1164 HydrophobicContact CD1-CD1 4.2Å; F1159-L1164 PolarHBondContact O-N 3.21Å; F1159-F1166 HydrophobicContact CB-CD1 3.73Å; F1159-F1166 HydrophobicContact CB-CE1 3.54Å; F1159-F1166 HydrophobicContact CB-CG 4.46Å; F1159-F1166 HydrophobicContact CB-CZ 4.11Å; F1159-I1186 HydrophobicContact CD2-CD1 4.03Å; F1159-I1186 HydrophobicContact CD2-CG2 3.98Å; F1159-I1186 HydrophobicContact CE2-CB 4.45Å; F1159-I1186 HydrophobicContact CE2-CD1 4.17Å; F1159-I1186 HydrophobicContact CE2-CG2 4.28Å; F1159-I1199 HydrophobicContact CD1-CD1 3.54Å; F1159-I1199 HydrophobicContact CD2-CD1 3.84Å; F1159-I1199 HydrophobicContact CE1-CD1 3.57Å; F1159-I1199 HydrophobicContact CE1-CG1 4.36Å; F1159-I1199 HydrophobicContact CE2-CD1 3.86Å; F1159-I1199 HydrophobicContact CE2-CG1 4.2Å; F1159-I1199 HydrophobicContact CG-CD1 3.7Å; F1159-I1199 HydrophobicContact CZ-CD1 3.74Å; F1159-I1199 HydrophobicContact CZ-CG1 4.1Å; F1159-A1234 WeakPolarHBondContact CZ-O 3.43Å
1160G90.2Very high95.3Very high37 Ų3732.9 Ų32.938%0.38115%0.154SC..Hα-helixtrans-63.9-40.5173.200000112.4K1156 L1162 E1163K1156-G1160 WeakPolarHBondContact O-CA 3.28Å; K1156-G1160 PolarHBondContact O-N 3.47Å; G1160-L1162 VanDerWaalsContact C-N 3.26Å; G1160-L1162 PolarHBondContact O-N 2.9Å; G1160-E1163 WeakPolarHBondContact O-CA 3.32Å; G1160-E1163 PolarHBondContact O-N 3.32Å
1161R89.9Confident95.3Very high159 Ų15930.1 Ų30.160%0.614%0.141SC*.Hα-helixtrans-66.7-26.6174-76173.9-178.3-83.60.7113.2F1026 Y1030 Q1157 L1158 E1163F1026-R1161 HydrophobicContact CE2-CB 4.34Å; F1026-R1161 HydrophobicContact CZ-CB 3.83Å; Y1030-R1161 VanDerWaalsContact CE2-NE 3.31Å; Q1157-R1161 WeakPolarHBondContact O-CB 3.49Å; Q1157-R1161 VanDerWaalsContact O-CG 3.23Å; Q1157-R1161 WeakPolarHBondContact O-CG 3.45Å; Q1157-R1161 PolarHBondContact O-N 3.37Å; L1158-R1161 PolarHBondContact O-N 3.13Å; R1161-E1163 PolarHBondContact O-N 3.22Å
1162L88.8Confident95.3Very high8 Ų830 Ų304%0.04214%0.141CC..THydrogen-bonded Turntrans-79.63171.1-67.5177.2000113.2L1023 F1026 L1158 F1159 G1160 L1164 T1240 L1244 H1248 I1280L1023-L1162 HydrophobicContact CD2-CD1 4Å; L1023-L1162 HydrophobicContact CD2-CD2 4.01Å; F1026-L1162 HydrophobicContact CD1-CD2 4.36Å; F1026-L1162 HydrophobicContact CE1-CD1 4.29Å; F1026-L1162 HydrophobicContact CE1-CD2 4.1Å; F1026-L1162 HydrophobicContact CE1-CG 3.99Å; F1026-L1162 HydrophobicContact CZ-CD2 4.47Å; F1026-L1162 HydrophobicContact CZ-CG 4.43Å; L1158-L1162 WeakPolarHBondContact O-CG 3.38Å; L1158-L1162 PolarHBondContact O-N 2.85Å; F1159-L1162 HydrophobicContact CD1-CD1 4.37Å; F1159-L1162 PolarHBondContact O-N 3.24Å; G1160-L1162 VanDerWaalsContact C-N 3.26Å; G1160-L1162 PolarHBondContact O-N 2.9Å; L1162-L1164 HydrophobicContact CB-CD1 4.27Å; L1162-L1164 HydrophobicContact CB-CG 4.01Å; L1162-L1164 HydrophobicContact CD1-CD1 4.49Å; L1162-L1164 PolarHBondContact O-N 2.93Å; L1162-T1240 HydrophobicContact CD1-CG2 4.01Å; L1162-L1244 HydrophobicContact CB-CD2 4.15Å; L1162-L1244 HydrophobicContact CD2-CD2 4.47Å; L1162-H1248 PolarHBondContact O-NE2 3.47Å; L1162-H1248 VanDerWaalsContact O-NE2 3.14Å; L1162-I1280 HydrophobicContact CD2-CD1 4Å; L1162-I1280 HydrophobicContact CD2-CG1 3.83Å
1163E88.7Confident95.1Very high108 Ų10829.2 Ų29.251%0.50514%0.137SC..THydrogen-bonded Turntrans5630-178.9-61.3172.7-17900112.5F1159 G1160 R1161 H1248 K1279F1159-E1163 PolarHBondContact O-N 3.34Å; G1160-E1163 WeakPolarHBondContact O-CA 3.32Å; G1160-E1163 PolarHBondContact O-N 3.32Å; R1161-E1163 PolarHBondContact O-N 3.22Å; E1163-H1248 IonicContact OE2-CE1 2.7Å; E1163-K1279 VanDerWaalsContact CD-NZ 3.28Å; E1163-K1279 IonicContact OE1-NZ 3.57Å; E1163-K1279 PolarHBondContact OE1-NZ 2.92Å; E1163-K1279 IonicContact OE2-NZ 2.74Å; E1163-K1279 PolarHBondContact OE2-NZ 2.95Å
1164L91.2Very high95Very high2 Ų227.6 Ų27.61%0.0113%0.129CC..  trans-80140.4177.9-66.4179.5000110.7F1159 L1162 F1166 I1199 T1240 A1243 L1244F1159-L1164 HydrophobicContact CB-CD1 4.5Å; F1159-L1164 HydrophobicContact CD1-CD1 4.2Å; F1159-L1164 PolarHBondContact O-N 3.21Å; L1162-L1164 HydrophobicContact CB-CD1 4.27Å; L1162-L1164 HydrophobicContact CB-CG 4.01Å; L1162-L1164 HydrophobicContact CD1-CD1 4.49Å; L1162-L1164 PolarHBondContact O-N 2.93Å; L1164-F1166 HydrophobicContact CB-CD1 4.27Å; L1164-F1166 VanDerWaalsContact O-CD1 3.28Å; L1164-F1166 WeakPolarHBondContact O-CD1 3.47Å; L1164-I1199 HydrophobicContact CD1-CD1 4.32Å; L1164-T1240 HydrophobicContact CD1-CG2 4.39Å; L1164-A1243 HydrophobicContact CD1-CB 4.25Å; L1164-A1243 HydrophobicContact CD2-CB 4.04Å; L1164-L1244 HydrophobicContact CD2-CD2 3.89Å; L1164-L1244 HydrophobicContact CD2-CG 4.21Å; L1164-L1244 HydrophobicContact CG-CD2 4.36Å
1165H96.2Very high94.8Very high11 Ų1130.9 Ų30.95%0.05114%0.144CC..  trans-82.2120.2161.2-177.952.3000110V973 Q974 G975 R976 K977 W1189 Y1196 Q1247V973-H1165 VanDerWaalsContact CG1-CE1 3.47Å; V973-H1165 WeakPolarHBondContact CG1-CE1 3.41Å; Q974-H1165 WeakPolarHBondContact O-CA 3.29Å; Q974-H1165 PolarHBondContact O-ND1 3.49Å; G975-H1165 VanDerWaalsContact C-ND1 3.29Å; G975-H1165 PolarHBondContact O-ND1 3.39Å; R976-H1165 PolarHBondContact N-ND1 2.77Å; K977-H1165 WeakPolarHBondContact CG-CD2 3.3Å; K977-H1165 WeakPolarHBondContact CG-NE2 3.22Å; H1165-W1189 HydrophobicContact CB-CB 4.34Å; H1165-W1189 PolarHBondContact O-N 3.46Å; H1165-Y1196 AromaticContact NE2-CZ 4Å; H1165-Y1196 PolarHBondContact NE2-OH 2.91Å; H1165-Q1247 PolarHBondContact O-NE2 3.09Å; H1165-Q1247 VanDerWaalsContact O-NE2 3.1Å
1166F97.4Very high94.6Very high1 Ų131 Ų310%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-146.9161.5-177.865-93.5000111.8Q974 K1156 F1159 L1164 V1168 I1186 E1187 A1188Q974-F1166 HydrophobicContact CB-CD1 4.15Å; Q974-F1166 HydrophobicContact CB-CD2 4.19Å; Q974-F1166 HydrophobicContact CB-CE1 3.62Å; Q974-F1166 HydrophobicContact CB-CE2 3.7Å; Q974-F1166 HydrophobicContact CB-CG 4.42Å; Q974-F1166 HydrophobicContact CB-CZ 3.39Å; Q974-F1166 HydrophobicContact CG-CE1 4.38Å; Q974-F1166 HydrophobicContact CG-CE2 3.78Å; Q974-F1166 HydrophobicContact CG-CZ 3.65Å; Q974-F1166 PolarHBondContact N-O 2.97Å; Q974-F1166 PolarHBondContact O-N 3.37Å; K1156-F1166 HydrophobicContact CB-CE2 4.43Å; K1156-F1166 HydrophobicContact CB-CZ 4.25Å; K1156-F1166 HydrophobicContact CG-CE2 4.11Å; K1156-F1166 HydrophobicContact CG-CZ 4.42Å; F1159-F1166 HydrophobicContact CB-CD1 3.73Å; F1159-F1166 HydrophobicContact CB-CE1 3.54Å; F1159-F1166 HydrophobicContact CB-CG 4.46Å; F1159-F1166 HydrophobicContact CB-CZ 4.11Å; L1164-F1166 HydrophobicContact CB-CD1 4.27Å; L1164-F1166 VanDerWaalsContact O-CD1 3.28Å; L1164-F1166 WeakPolarHBondContact O-CD1 3.47Å; F1166-V1168 HydrophobicContact CD2-CG2 4.42Å; F1166-V1168 HydrophobicContact CE2-CG2 4.19Å; F1166-I1186 HydrophobicContact CB-CG2 3.91Å; F1166-I1186 HydrophobicContact CD2-CG2 3.43Å; F1166-I1186 VanDerWaalsContact CD2-CG2 3.43Å; F1166-I1186 HydrophobicContact CE2-CD1 4.44Å; F1166-I1186 HydrophobicContact CE2-CG2 4.15Å; F1166-I1186 HydrophobicContact CG-CG2 3.86Å; F1166-E1187 CarbonylContact C-O 3.5Å; F1166-E1187 WeakPolarHBondContact CA-O 3.47Å; F1166-E1187 WeakPolarHBondContact CB-O 3.25Å; F1166-A1188 HydrophobicContact CB-CB 4.34Å
1167R97.5Very high94.3Very high72 Ų7230.5 Ų30.527%0.27215%0.151SC..EExtended strand (participates in β ladder)trans-120.9146.2173.364.7-177.8-177.8172.51110.6V970 D972 V973 L1169 I1186 E1187 Y1196V970-R1167 HydrophobicContact CG1-CB 4.42Å; D972-R1167 CarbonylContact O-C 3.57Å; D972-R1167 WeakPolarHBondContact O-CA 3.42Å; V973-R1167 HydrophobicContact CG2-CB 4.12Å; R1167-L1169 HydrophobicContact CG-CD2 4.17Å; R1167-L1169 HydrophobicContact CG-CG 4.43Å; R1167-I1186 WeakPolarHBondContact O-CA 3.33Å; R1167-E1187 HydrophobicContact CG-CB 4.13Å; R1167-E1187 IonicContact CZ-OE2 3.35Å; R1167-E1187 PolarHBondContact N-O 2.73Å; R1167-E1187 IonicContact NE-OE2 2.77Å; R1167-E1187 PolarHBondContact NE-OE2 2.69Å; R1167-E1187 IonicContact NH2-OE2 3.15Å; R1167-E1187 PolarHBondContact NH2-OE2 2.8Å; R1167-E1187 PolarHBondContact O-N 2.7Å; R1167-Y1196 HydrophobicContact CB-CE1 4.33Å; R1167-Y1196 HydrophobicContact CG-CD1 3.92Å; R1167-Y1196 HydrophobicContact CG-CE1 3.93Å; R1167-Y1196 HydrophobicContact CG-CG 4.38Å
1168V98.1Very high94.1Very high2 Ų227.7 Ų27.71%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-100.9130.1174.1-177.40000108.3M971 D972 L1152 K1156 F1166 D1185 I1186M971-V1168 HydrophobicContact CB-CB 4.38Å; M971-V1168 HydrophobicContact CB-CG1 4.24Å; M971-V1168 PolarHBondContact N-O 3.12Å; D972-V1168 HydrophobicContact CB-CB 4.06Å; D972-V1168 HydrophobicContact CB-CG2 4.01Å; D972-V1168 PolarHBondContact O-N 3.44Å; L1152-V1168 HydrophobicContact CD1-CG1 3.82Å; L1152-V1168 HydrophobicContact CD2-CG1 4.21Å; K1156-V1168 HydrophobicContact CD-CG2 4.21Å; K1156-V1168 HydrophobicContact CG-CG2 4.08Å; F1166-V1168 HydrophobicContact CD2-CG2 4.42Å; F1166-V1168 HydrophobicContact CE2-CG2 4.19Å; V1168-D1185 CarbonylContact C-O 3.51Å; V1168-D1185 WeakPolarHBondContact CA-O 3.44Å; V1168-I1186 HydrophobicContact CG2-CD1 4.36Å; V1168-I1186 HydrophobicContact CG2-CG1 4.23Å
1169L97.8Very high94.2Very high9 Ų928.8 Ų28.85%0.04715%0.147CC..EExtended strand (participates in β ladder)trans-117.6134-177.6-58.4-177.2000110.6A968 R969 V970 R1167 M1171 F1184 D1185 E1187A968-L1169 HydrophobicContact CB-CB 4.4Å; A968-L1169 HydrophobicContact CB-CD1 4.32Å; R969-L1169 WeakPolarHBondContact O-CA 3.22Å; V970-L1169 HydrophobicContact CB-CD2 4.28Å; V970-L1169 HydrophobicContact CG2-CD2 3.69Å; R1167-L1169 HydrophobicContact CG-CD2 4.17Å; R1167-L1169 HydrophobicContact CG-CG 4.43Å; L1169-M1171 HydrophobicContact CB-SD 3.87Å; L1169-M1171 HydrophobicContact CD1-SD 4.39Å; L1169-F1184 CarbonylContact O-C 3.52Å; L1169-F1184 VanDerWaalsContact O-CA 3.23Å; L1169-F1184 WeakPolarHBondContact O-CA 3.4Å; L1169-D1185 PolarHBondContact N-O 2.92Å; L1169-D1185 PolarHBondContact O-N 2.84Å; L1169-E1187 HydrophobicContact CD1-CG 3.92Å; L1169-E1187 WeakPolarHBondContact CD1-OE2 3.31Å
1170D97.9Very high94.3Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-85.6113.4162.9-155.3-8.8000107.8P961 A968 R969 M971 R1182 F1184P961-D1170 HydrophobicContact CG-CB 4.24Å; A968-D1170 WeakPolarHBondContact CA-O 3.45Å; R969-D1170 HydrophobicContact CB-CB 4.2Å; R969-D1170 IonicContact CZ-OD2 2.8Å; R969-D1170 PolarHBondContact N-O 2.97Å; R969-D1170 IonicContact NE-OD2 3.37Å; R969-D1170 IonicContact NH2-OD2 2.98Å; R969-D1170 PolarHBondContact NH2-OD2 2.95Å; R969-D1170 PolarHBondContact O-N 3.26Å; M971-D1170 HydrophobicContact CG-CB 3.93Å; M971-D1170 HydrophobicContact SD-CB 3.75Å; D1170-R1182 IonicContact OD1-NE 2.83Å; D1170-R1182 IonicContact OD2-CZ 3.36Å; D1170-R1182 IonicContact OD2-NE 3.73Å; D1170-R1182 IonicContact OD2-NH2 2.66Å; D1170-R1182 PolarHBondContact OD2-NH2 2.81Å; D1170-F1184 HydrophobicContact CB-CD1 4.26Å; D1170-F1184 HydrophobicContact CB-CE1 4.19Å; D1170-F1184 WeakPolarHBondContact OD1-CE1 3.24Å
1171M97.6Very high94.6Very high4 Ų429.5 Ų29.52%0.0214%0.139CC..  trans-79.1138.5-170.3-62.5-53.8-7200111.3E965 A968 L1169 E1175 K1183 D1185E965-M1171 HydrophobicContact CG-CE 4.41Å; A968-M1171 HydrophobicContact CB-SD 4.21Å; L1169-M1171 HydrophobicContact CB-SD 3.87Å; L1169-M1171 HydrophobicContact CD1-SD 4.39Å; M1171-E1175 HydrophobicContact CB-CB 4.25Å; M1171-E1175 HydrophobicContact CE-CB 3.83Å; M1171-E1175 HydrophobicContact CE-CG 3.99Å; M1171-K1183 HydrophobicContact CB-CB 4.14Å; M1171-K1183 HydrophobicContact CB-CG 4.27Å; M1171-K1183 WeakPolarHBondContact CB-O 3.35Å; M1171-K1183 HydrophobicContact CG-CB 4.44Å; M1171-K1183 HydrophobicContact CG-CD 4.47Å; M1171-K1183 HydrophobicContact CG-CG 4.07Å; M1171-K1183 PolarHBondContact N-O 2.93Å; M1171-D1185 WeakPolarHBondContact CE-OD2 3.34Å; M1171-D1185 HydrophobicContact CG-CB 3.98Å; M1171-D1185 VanDerWaalsContact CG-CG 3.49Å; M1171-D1185 HydrophobicContact SD-CB 3.73Å
1172P96.6Very high95Very high0 Ų022.5 Ų22.50%011%0.113CC..  trans-77.9168.6-175.331.9-33.3000112.1P961 G963 D964 Q967 E1174 E1175 L1176P961-P1172 HydrophobicContact CB-CB 4.05Å; P961-P1172 CarbonylContact O-C 3.58Å; P961-P1172 WeakPolarHBondContact O-CA 3.24Å; G963-P1172 WeakPolarHBondContact O-CB 3.37Å; D964-P1172 WeakPolarHBondContact O-CG 3.29Å; Q967-P1172 HydrophobicContact CB-CB 4.17Å; P1172-E1174 VanDerWaalsContact C-N 3.28Å; P1172-E1174 PolarHBondContact O-N 3.07Å; P1172-E1174 VanDerWaalsContact O-N 3.15Å; P1172-E1175 HydrophobicContact CG-CB 4.31Å; P1172-E1175 HydrophobicContact CG-CG 4.05Å; P1172-E1175 PolarHBondContact O-N 2.58Å; P1172-L1176 PolarHBondContact O-N 2.74Å
1173S95.4Very high95.4Very high0 Ų023.6 Ų23.60%012%0.117CC..G310 helixtrans-53.7-35.9-171.859.50000115.1L905 R906 P961 G963 E1175L905-S1173 PolarHBondContact O-OG 3.18Å; R906-S1173 WeakPolarHBondContact CG-O 3.02Å; P961-S1173 PolarHBondContact O-N 3.03Å; G963-S1173 PolarHBondContact N-OG 3.24Å; G963-S1173 VanDerWaalsContact N-OG 3.16Å; S1173-E1175 VanDerWaalsContact C-N 3.3Å; S1173-E1175 PolarHBondContact O-N 3.31Å
1174E94.4Very high95.9Very high47 Ų4718.8 Ų18.822%0.229%0.094CC..G310 helixtrans-74.3-20.5179-62-178.5-173.800113.1K907 G963 P1172K907-E1174 HydrophobicContact CD-CG 4.14Å; K907-E1174 WeakPolarHBondContact CD-OE2 3.48Å; K907-E1174 WeakPolarHBondContact CE-OE1 3.48Å; K907-E1174 VanDerWaalsContact CE-OE2 3.29Å; K907-E1174 WeakPolarHBondContact CE-OE2 3.34Å; K907-E1174 HydrophobicContact CG-CG 4.14Å; K907-E1174 IonicContact NZ-OE1 3.18Å; K907-E1174 PolarHBondContact NZ-OE1 2.91Å; K907-E1174 IonicContact NZ-OE2 3.38Å; K907-E1174 PolarHBondContact NZ-OE2 3.5Å; G963-E1174 VanDerWaalsContact O-CB 3.24Å; G963-E1174 WeakPolarHBondContact O-CB 3.32Å; G963-E1174 WeakPolarHBondContact O-CG 3.47Å; G963-E1174 PolarHBondContact O-N 3.36Å; G963-E1174 VanDerWaalsContact O-N 3.15Å; P1172-E1174 VanDerWaalsContact C-N 3.28Å; P1172-E1174 PolarHBondContact O-N 3.07Å; P1172-E1174 VanDerWaalsContact O-N 3.15Å
1175E93.6Very high96.2Very high74 Ų7419.1 Ų19.135%0.34610%0.096SC..G310 helixtrans-97.31.3-178.8-64.7-56.4133.600113.5E965 M1171 P1172 S1173 G1177E965-E1175 HydrophobicContact CB-CG 3.9Å; E965-E1175 HydrophobicContact CG-CG 4.35Å; M1171-E1175 HydrophobicContact CB-CB 4.25Å; M1171-E1175 HydrophobicContact CE-CB 3.83Å; M1171-E1175 HydrophobicContact CE-CG 3.99Å; P1172-E1175 HydrophobicContact CG-CB 4.31Å; P1172-E1175 HydrophobicContact CG-CG 4.05Å; P1172-E1175 PolarHBondContact O-N 2.58Å; S1173-E1175 VanDerWaalsContact C-N 3.3Å; S1173-E1175 PolarHBondContact O-N 3.31Å; E1175-G1177 VanDerWaalsContact C-N 3.26Å; E1175-G1177 PolarHBondContact O-N 3.44Å
1176L94.3Very high96.3Very high4 Ų418.6 Ų18.62%0.0219%0.094CC..SBendtrans-74.9-14.9176.1-61.7-176.3000113.1R906 T956 A960 P1172 A1180 K1183R906-L1176 VanDerWaalsContact NH2-CB 3.31Å; T956-L1176 HydrophobicContact CG2-CD1 3.8Å; A960-L1176 HydrophobicContact CB-CD1 4.45Å; P1172-L1176 PolarHBondContact O-N 2.74Å; L1176-A1180 HydrophobicContact CB-CB 4.3Å; L1176-A1180 VanDerWaalsContact O-CB 3.22Å; L1176-A1180 WeakPolarHBondContact O-CB 3.43Å; L1176-A1180 PolarHBondContact O-N 2.72Å; L1176-K1183 HydrophobicContact CD2-CB 3.65Å
1177G90.8Very high96.2Very high29 Ų2919.4 Ų19.430%0.29910%0.098SC..THydrogen-bonded Turntrans62.5-153.2-171.600000112.4R906 E1175R906-G1177 VanDerWaalsContact CZ-O 3.32Å; R906-G1177 PolarHBondContact NE-O 3.2Å; R906-G1177 VanDerWaalsContact NE-O 3.14Å; R906-G1177 PolarHBondContact NH2-O 2.85Å; E1175-G1177 VanDerWaalsContact C-N 3.26Å; E1175-G1177 PolarHBondContact O-N 3.44Å
1178A91.8Very high96.2Very high13 Ų1316 Ų1611%0.1079%0.085CC..THydrogen-bonded Turntrans-82.7-42.6174.300000114.8N954 F1208N954-A1178 PolarHBondContact N-O 3.16Å; A1178-F1208 HydrophobicContact CB-CZ 4.17Å
1179P95.3Very high96.1Very high23 Ų2317.1 Ų17.115%0.1499%0.089CC..THydrogen-bonded Turntrans-87.3-29.7-168.632.7-35.8000114.9N954 C1053 Y1181 C1205 F1208N954-P1179 WeakPolarHBondContact CB-O 3.27Å; N954-P1179 PolarHBondContact ND2-O 3.35Å; C1053-P1179 WeakPolarHBondContact O-CG 3.49Å; P1179-Y1181 PolarHBondContact O-N 3Å; P1179-C1205 WeakPolarHBondContact O-CA 3.19Å; P1179-F1208 HydrophobicContact CB-CD1 3.54Å; P1179-F1208 HydrophobicContact CB-CE1 3.7Å; P1179-F1208 HydrophobicContact CB-CG 4.2Å; P1179-F1208 HydrophobicContact CB-CZ 4.45Å
1180A96.7Very high95.9Very high1 Ų116.7 Ų16.71%0.0089%0.086CC..  trans-76.3126.1-16900000111.9R906 L1176 K1183R906-A1180 VanDerWaalsContact CZ-O 3.32Å; R906-A1180 PolarHBondContact NH1-O 3.07Å; R906-A1180 PolarHBondContact NH2-O 2.98Å; L1176-A1180 HydrophobicContact CB-CB 4.3Å; L1176-A1180 VanDerWaalsContact O-CB 3.22Å; L1176-A1180 WeakPolarHBondContact O-CB 3.43Å; L1176-A1180 PolarHBondContact O-N 2.72Å; A1180-K1183 HydrophobicContact CB-CB 4.24Å
1181Y96.7Very high95.5Very high52 Ų5217.1 Ų17.120%0.2049%0.09CC..SBendtrans-74.6-39.5165.9178-115.7000111.2D955 H957 P958 P1179 N1204 T1206D955-Y1181 HydrophobicContact CB-CD2 4.04Å; D955-Y1181 HydrophobicContact CB-CE2 4.04Å; D955-Y1181 WeakPolarHBondContact O-CA 3.44Å; D955-Y1181 VanDerWaalsContact O-CD2 3.28Å; D955-Y1181 WeakPolarHBondContact O-CD2 3.43Å; H957-Y1181 VanDerWaalsContact CA-CZ 3.48Å; H957-Y1181 HydrophobicContact CB-CD1 3.95Å; H957-Y1181 HydrophobicContact CB-CD2 4.43Å; H957-Y1181 HydrophobicContact CB-CE1 3.68Å; H957-Y1181 HydrophobicContact CB-CE2 4.15Å; H957-Y1181 HydrophobicContact CB-CG 4.31Å; H957-Y1181 VanDerWaalsContact CB-O 3.3Å; H957-Y1181 WeakPolarHBondContact CB-O 3.31Å; H957-Y1181 AromaticContact CD2-CD1 3.99Å; H957-Y1181 AromaticContact CD2-CE1 3.29Å; H957-Y1181 WeakPolarHBondContact CD2-CE1 3.36Å; H957-Y1181 AromaticContact CD2-CZ 3.88Å; H957-Y1181 AromaticContact CG-CE1 3.79Å; H957-Y1181 PolarHBondContact N-O 3.37Å; P958-Y1181 WeakPolarHBondContact CD-OH 3.24Å; P1179-Y1181 PolarHBondContact O-N 3Å; Y1181-N1204 WeakPolarHBondContact CA-O 3.36Å; Y1181-N1204 VanDerWaalsContact CB-O 3.32Å; Y1181-N1204 WeakPolarHBondContact CB-O 3.42Å; Y1181-N1204 PolarHBondContact N-O 3.39Å; Y1181-T1206 HydrophobicContact CD1-CG2 3.86Å; Y1181-T1206 HydrophobicContact CD2-CG2 4.43Å; Y1181-T1206 HydrophobicContact CG-CG2 3.77Å
1182R97.4Very high95Very high13 Ų1317.9 Ų17.95%0.04910%0.098CC..EExtended strand (participates in β ladder)trans-146.1144.1172.5-166.5172.2-169.9165.70.8109.5H957 E959 H1148 D1170 F1184 S1203 N1204H957-R1182 HydrophobicContact CB-CB 3.93Å; H957-R1182 HydrophobicContact CB-CG 4.28Å; H957-R1182 PolarHBondContact CE1-NH1 3.1Å; H957-R1182 PolarHBondContact NE2-NH1 3.2Å; E959-R1182 IonicContact OE2-CZ 3.92Å; E959-R1182 IonicContact OE2-NH1 3.46Å; E959-R1182 PolarHBondContact OE2-NH1 3.12Å; E959-R1182 IonicContact OE2-NH2 3.95Å; E959-R1182 PolarHBondContact OE2-NH2 2.71Å; E959-R1182 VanDerWaalsContact OE2-NH2 3.07Å; H1148-R1182 PolarHBondContact CE1-O 3.34Å; D1170-R1182 IonicContact OD1-NE 2.83Å; D1170-R1182 IonicContact OD2-CZ 3.36Å; D1170-R1182 IonicContact OD2-NE 3.73Å; D1170-R1182 IonicContact OD2-NH2 2.66Å; D1170-R1182 PolarHBondContact OD2-NH2 2.81Å; R1182-F1184 HydrophobicContact CG-CE1 4.4Å; R1182-F1184 HydrophobicContact CG-CZ 4.13Å; R1182-S1203 WeakPolarHBondContact O-CA 3.3Å; R1182-N1204 PolarHBondContact N-O 3.35Å; R1182-N1204 PolarHBondContact O-N 2.9Å
1183K98.2Very high94.6Very high30 Ų3019.9 Ų19.913%0.1311%0.106CC..EExtended strand (participates in β ladder)trans-136.4133.6-179-178172.5-179-83.50111M1171 L1176 A1180 D1185 A1202M1171-K1183 HydrophobicContact CB-CB 4.14Å; M1171-K1183 HydrophobicContact CB-CG 4.27Å; M1171-K1183 WeakPolarHBondContact CB-O 3.35Å; M1171-K1183 HydrophobicContact CG-CB 4.44Å; M1171-K1183 HydrophobicContact CG-CD 4.47Å; M1171-K1183 HydrophobicContact CG-CG 4.07Å; M1171-K1183 PolarHBondContact N-O 2.93Å; L1176-K1183 HydrophobicContact CD2-CB 3.65Å; A1180-K1183 HydrophobicContact CB-CB 4.24Å; K1183-D1185 WeakPolarHBondContact CE-OD1 3.17Å; K1183-D1185 IonicContact NZ-OD1 2.96Å; K1183-D1185 PolarHBondContact NZ-OD1 2.74Å; K1183-D1185 IonicContact NZ-OD2 3.06Å; K1183-D1185 PolarHBondContact NZ-OD2 3.28Å; K1183-A1202 CarbonylContact C-O 3.25Å; K1183-A1202 WeakPolarHBondContact CA-O 3.28Å
1184F98.3Very high94.4Very high7 Ų725.6 Ų25.63%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-117.4131.3172.4-58.4-60.1000109.7M971 H1148 L1152 L1169 D1170 R1182 S1201 A1202M971-F1184 HydrophobicContact CE-CE1 3.95Å; M971-F1184 HydrophobicContact CE-CZ 4.4Å; M971-F1184 HydrophobicContact SD-CD1 3.48Å; M971-F1184 WeakPolarHBondContact SD-CD1 3.46Å; M971-F1184 HydrophobicContact SD-CE1 3.29Å; M971-F1184 WeakPolarHBondContact SD-CE1 3.15Å; M971-F1184 HydrophobicContact SD-CZ 4.26Å; H1148-F1184 AromaticContact CE1-CD2 3.21Å; H1148-F1184 WeakPolarHBondContact CE1-CD2 2.91Å; H1148-F1184 AromaticContact CE1-CE2 3.29Å; H1148-F1184 WeakPolarHBondContact CE1-CE2 3.1Å; H1148-F1184 AromaticContact ND1-CD2 3.83Å; H1148-F1184 AromaticContact ND1-CE2 3.5Å; H1148-F1184 WeakPolarHBondContact ND1-CE2 3.33Å; H1148-F1184 AromaticContact NE2-CD2 3.34Å; H1148-F1184 VanDerWaalsContact NE2-CD2 3.34Å; H1148-F1184 WeakPolarHBondContact NE2-CD2 3.23Å; H1148-F1184 AromaticContact NE2-CE2 3.85Å; L1152-F1184 HydrophobicContact CD1-CB 4.04Å; L1152-F1184 HydrophobicContact CD2-CB 4.37Å; L1152-F1184 HydrophobicContact CD2-CD2 3.83Å; L1152-F1184 HydrophobicContact CD2-CE2 4.27Å; L1152-F1184 HydrophobicContact CD2-CG 4.05Å; L1169-F1184 CarbonylContact O-C 3.52Å; L1169-F1184 VanDerWaalsContact O-CA 3.23Å; L1169-F1184 WeakPolarHBondContact O-CA 3.4Å; D1170-F1184 HydrophobicContact CB-CD1 4.26Å; D1170-F1184 HydrophobicContact CB-CE1 4.19Å; D1170-F1184 WeakPolarHBondContact OD1-CE1 3.24Å; R1182-F1184 HydrophobicContact CG-CE1 4.4Å; R1182-F1184 HydrophobicContact CG-CZ 4.13Å; F1184-S1201 CarbonylContact O-C 3.52Å; F1184-S1201 WeakPolarHBondContact O-CA 3.18Å; F1184-A1202 PolarHBondContact N-O 2.55Å; F1184-A1202 PolarHBondContact O-N 3.47Å
1185D97.7Very high94.3Very high10 Ų1025.8 Ų25.85%0.05314%0.141CC..EExtended strand (participates in β ladder)trans-112.1148.5175.5-71.13000110.7V1168 L1169 M1171 K1183 S1200 S1201V1168-D1185 CarbonylContact C-O 3.51Å; V1168-D1185 WeakPolarHBondContact CA-O 3.44Å; L1169-D1185 PolarHBondContact N-O 2.92Å; L1169-D1185 PolarHBondContact O-N 2.84Å; M1171-D1185 WeakPolarHBondContact CE-OD2 3.34Å; M1171-D1185 HydrophobicContact CG-CB 3.98Å; M1171-D1185 VanDerWaalsContact CG-CG 3.49Å; M1171-D1185 HydrophobicContact SD-CB 3.73Å; K1183-D1185 WeakPolarHBondContact CE-OD1 3.17Å; K1183-D1185 IonicContact NZ-OD1 2.96Å; K1183-D1185 PolarHBondContact NZ-OD1 2.74Å; K1183-D1185 IonicContact NZ-OD2 3.06Å; K1183-D1185 PolarHBondContact NZ-OD2 3.28Å; D1185-S1200 WeakPolarHBondContact CA-O 3.42Å; D1185-S1201 WeakPolarHBondContact OD1-CB 3.21Å
1186I98.1Very high94.3Very high0 Ų024.4 Ų24.40%013%0.133CC..EExtended strand (participates in β ladder)trans-115.8122.6171.2-58.6-170.4000108.6L1152 Q1155 K1156 F1159 F1166 R1167 V1168 E1198 I1199 S1200L1152-I1186 HydrophobicContact CD1-CD1 4.17Å; L1152-I1186 HydrophobicContact CD1-CG1 4.34Å; Q1155-I1186 HydrophobicContact CB-CD1 3.61Å; K1156-I1186 HydrophobicContact CG-CD1 4.2Å; F1159-I1186 HydrophobicContact CD2-CD1 4.03Å; F1159-I1186 HydrophobicContact CD2-CG2 3.98Å; F1159-I1186 HydrophobicContact CE2-CB 4.45Å; F1159-I1186 HydrophobicContact CE2-CD1 4.17Å; F1159-I1186 HydrophobicContact CE2-CG2 4.28Å; F1166-I1186 HydrophobicContact CB-CG2 3.91Å; F1166-I1186 HydrophobicContact CD2-CG2 3.43Å; F1166-I1186 VanDerWaalsContact CD2-CG2 3.43Å; F1166-I1186 HydrophobicContact CE2-CD1 4.44Å; F1166-I1186 HydrophobicContact CE2-CG2 4.15Å; F1166-I1186 HydrophobicContact CG-CG2 3.86Å; R1167-I1186 WeakPolarHBondContact O-CA 3.33Å; V1168-I1186 HydrophobicContact CG2-CD1 4.36Å; V1168-I1186 HydrophobicContact CG2-CG1 4.23Å; I1186-E1198 WeakPolarHBondContact O-CA 3.49Å; I1186-I1199 HydrophobicContact CG2-CD1 4.27Å; I1186-I1199 HydrophobicContact CG2-CG1 4.13Å; I1186-I1199 WeakPolarHBondContact O-CG1 3.38Å; I1186-I1199 PolarHBondContact O-N 3.23Å; I1186-S1200 PolarHBondContact N-O 3.37Å; I1186-S1200 PolarHBondContact O-N 3.27Å
1187E96.9Very high94.2Very high17 Ų1724.2 Ų24.28%0.07913%0.132CC..EExtended strand (participates in β ladder)trans-111.7128174.9-56.1-172.5127.600111.2F1166 R1167 L1169 Y1196 G1197 E1198F1166-E1187 CarbonylContact C-O 3.5Å; F1166-E1187 WeakPolarHBondContact CA-O 3.47Å; F1166-E1187 WeakPolarHBondContact CB-O 3.25Å; R1167-E1187 HydrophobicContact CG-CB 4.13Å; R1167-E1187 IonicContact CZ-OE2 3.35Å; R1167-E1187 PolarHBondContact N-O 2.73Å; R1167-E1187 IonicContact NE-OE2 2.77Å; R1167-E1187 PolarHBondContact NE-OE2 2.69Å; R1167-E1187 IonicContact NH2-OE2 3.15Å; R1167-E1187 PolarHBondContact NH2-OE2 2.8Å; R1167-E1187 PolarHBondContact O-N 2.7Å; L1169-E1187 HydrophobicContact CD1-CG 3.92Å; L1169-E1187 WeakPolarHBondContact CD1-OE2 3.31Å; E1187-Y1196 HydrophobicContact CB-CD1 4.13Å; E1187-Y1196 HydrophobicContact CB-CG 4.45Å; E1187-Y1196 WeakPolarHBondContact O-CD1 3.47Å; E1187-Y1196 WeakPolarHBondContact OE2-CB 3.29Å; E1187-G1197 CarbonylContact C-O 3.57Å; E1187-G1197 VanDerWaalsContact CA-O 3.26Å; E1187-G1197 WeakPolarHBondContact CA-O 3.47Å; E1187-E1198 HydrophobicContact CG-CB 4.42Å
1188A96.3Very high94.3Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-92.3145.5173.200000111.6F1166 M1190 Y1196 G1197 I1199 A1243F1166-A1188 HydrophobicContact CB-CB 4.34Å; A1188-M1190 PolarHBondContact O-N 3.19Å; A1188-Y1196 WeakPolarHBondContact O-CA 3.49Å; A1188-G1197 PolarHBondContact N-O 2.77Å; A1188-G1197 PolarHBondContact O-N 2.87Å; A1188-I1199 HydrophobicContact CB-CD1 3.67Å; A1188-I1199 HydrophobicContact CB-CG1 4.14Å; A1188-I1199 HydrophobicContact CB-CG2 3.97Å; A1188-A1243 HydrophobicContact CB-CB 3.72Å
1189W95.7Very high94.5Very high26 Ų2624.8 Ų24.810%0.09812%0.124CC..EExtended strand (participates in β ladder)trans-69.4128173.3179.5-116.2000110.8K977 H1165 P1191 N1194 Y1196 Q1247K977-W1189 HydrophobicContact CD-CD2 4.21Å; K977-W1189 HydrophobicContact CD-CZ2 4.29Å; K977-W1189 HydrophobicContact CG-CG 4.37Å; K977-W1189 VanDerWaalsContact NZ-CZ3 3.29Å; H1165-W1189 HydrophobicContact CB-CB 4.34Å; H1165-W1189 PolarHBondContact O-N 3.46Å; W1189-P1191 WeakPolarHBondContact O-CD 3.46Å; W1189-N1194 WeakPolarHBondContact CH2-OD1 3.39Å; W1189-Y1196 HydrophobicContact CB-CD1 4.25Å; W1189-Y1196 HydrophobicContact CB-CE1 3.87Å; W1189-Y1196 HydrophobicContact CE3-CD1 4.45Å; W1189-Y1196 AromaticContact CE3-CD2 3.8Å; W1189-Y1196 HydrophobicContact CE3-CD2 3.8Å; W1189-Y1196 HydrophobicContact CE3-CE1 4.45Å; W1189-Y1196 AromaticContact CE3-CE2 3.82Å; W1189-Y1196 HydrophobicContact CE3-CE2 3.82Å; W1189-Y1196 HydrophobicContact CE3-CG 4.14Å; W1189-Y1196 HydrophobicContact CZ3-CD2 4.16Å; W1189-Y1196 HydrophobicContact CZ3-CE2 4.31Å; W1189-Q1247 WeakPolarHBondContact O-CG 3.38Å; W1189-Q1247 PolarHBondContact O-NE2 3.27Å
1190M93.3Very high94.6Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-116.388.9178.5-64.4-179.9-178.100107.6Y1122 A1188 G1192 R1193 N1194 V1195 I1199 R1239 I1242 A1243 E1246Y1122-M1190 HydrophobicContact CD2-CE 4.18Å; Y1122-M1190 HydrophobicContact CD2-SD 3.98Å; Y1122-M1190 HydrophobicContact CE2-CE 3.74Å; Y1122-M1190 HydrophobicContact CE2-SD 3.69Å; A1188-M1190 PolarHBondContact O-N 3.19Å; M1190-G1192 VanDerWaalsContact C-N 3.32Å; M1190-G1192 PolarHBondContact O-N 2.72Å; M1190-R1193 HydrophobicContact CB-CB 4.29Å; M1190-R1193 CarbonylContact O-C 3.48Å; M1190-R1193 PolarHBondContact O-N 2.87Å; M1190-N1194 PolarHBondContact O-N 3.06Å; M1190-V1195 PolarHBondContact N-O 2.93Å; M1190-V1195 PolarHBondContact O-N 2.97Å; M1190-I1199 HydrophobicContact CE-CG2 4.13Å; M1190-R1239 HydrophobicContact CE-CB 4.41Å; M1190-I1242 HydrophobicContact CE-CB 4.48Å; M1190-I1242 HydrophobicContact CE-CG2 4.4Å; M1190-I1242 HydrophobicContact CG-CG2 4.2Å; M1190-I1242 HydrophobicContact SD-CB 4.47Å; M1190-I1242 HydrophobicContact SD-CG2 3.78Å; M1190-A1243 HydrophobicContact CE-CB 4.4Å; M1190-E1246 WeakPolarHBondContact CA-OE2 3.23Å; M1190-E1246 WeakPolarHBondContact CB-OE2 3.37Å
1191P91Very high94.6Very high10 Ų1024.7 Ų24.77%0.06512%0.124CC..THydrogen-bonded Turntrans-64.2-30.9-168.721.3-31.9000114.2F980 P984 W1189 R1193 N1194 E1246 Q1247F980-P1191 HydrophobicContact CD2-CB 4.47Å; F980-P1191 HydrophobicContact CE2-CB 3.7Å; F980-P1191 HydrophobicContact CE2-CG 3.78Å; F980-P1191 HydrophobicContact CZ-CB 4.44Å; F980-P1191 HydrophobicContact CZ-CG 4.04Å; P984-P1191 HydrophobicContact CB-CB 4.11Å; P984-P1191 HydrophobicContact CG-CB 4.09Å; P984-P1191 WeakPolarHBondContact CG-O 3.44Å; W1189-P1191 WeakPolarHBondContact O-CD 3.46Å; P1191-R1193 VanDerWaalsContact C-N 3.33Å; P1191-N1194 PolarHBondContact O-N 2.96Å; P1191-E1246 VanDerWaalsContact CG-C 3.49Å; P1191-E1246 HydrophobicContact CG-CB 3.78Å; P1191-E1246 VanDerWaalsContact CG-O 3.22Å; P1191-E1246 WeakPolarHBondContact CG-O 3.46Å; P1191-Q1247 HydrophobicContact CG-CG 4.23Å
1192G87.6Confident94.6Very high20 Ų2022.2 Ų22.221%0.20612%0.115CC..THydrogen-bonded Turntrans-70.1-32.6176.700000112.2P984 M1190 E1246P984-G1192 WeakPolarHBondContact O-CA 3.21Å; M1190-G1192 VanDerWaalsContact C-N 3.32Å; M1190-G1192 PolarHBondContact O-N 2.72Å; G1192-E1246 WeakPolarHBondContact CA-OE2 3.49Å; G1192-E1246 PolarHBondContact N-OE2 2.89Å
1193R88Confident94.7Very high42 Ų4222.2 Ų22.216%0.15812%0.116CC..THydrogen-bonded Turntrans-88.2-10.5172.7-62.6-175.1-176.1135.77.2114.1T986 E988 M1190 P1191 V1195 I1242 E1246T986-R1193 HydrophobicContact CG2-CG 4.27Å; E988-R1193 IonicContact OE1-CZ 2.91Å; E988-R1193 IonicContact OE1-NH2 2.69Å; E988-R1193 PolarHBondContact OE1-NH2 3.22Å; E988-R1193 IonicContact OE2-CZ 2.78Å; E988-R1193 IonicContact OE2-NE 2.72Å; E988-R1193 IonicContact OE2-NH2 3.78Å; E988-R1193 PolarHBondContact OE2-NH2 2.97Å; M1190-R1193 HydrophobicContact CB-CB 4.29Å; M1190-R1193 CarbonylContact O-C 3.48Å; M1190-R1193 PolarHBondContact O-N 2.87Å; P1191-R1193 VanDerWaalsContact C-N 3.33Å; R1193-V1195 HydrophobicContact CB-CG2 3.77Å; R1193-V1195 PolarHBondContact O-N 3.43Å; R1193-I1242 VanDerWaalsContact CZ-CG2 3.46Å; R1193-E1246 PolarHBondContact N-OE2 2.76Å; R1193-E1246 IonicContact NE-OE1 3.57Å
1194N90.7Very high94.6Very high120 Ų12020.8 Ų20.864%0.64211%0.11SC*.THydrogen-bonded Turntrans54.835.7-176-16436.1000114.1W1189 M1190 P1191W1189-N1194 WeakPolarHBondContact CH2-OD1 3.39Å; M1190-N1194 PolarHBondContact O-N 3.06Å; P1191-N1194 PolarHBondContact O-N 2.96Å
1195V91.6Very high94.6Very high51 Ų5120.4 Ų20.431%0.30911%0.109SC..EExtended strand (participates in β ladder)trans-136.6159.3179.9-63.80000111.6M1190 R1193M1190-V1195 PolarHBondContact N-O 2.93Å; M1190-V1195 PolarHBondContact O-N 2.97Å; R1193-V1195 HydrophobicContact CB-CG2 3.77Å; R1193-V1195 PolarHBondContact O-N 3.43Å
1196Y93.3Very high94.5Very high44 Ų4420.7 Ų20.717%0.17311%0.11CC..EExtended strand (participates in β ladder)trans-82.9141159.3-82.7-80.5000109H1165 R1167 E1187 A1188 W1189H1165-Y1196 AromaticContact NE2-CZ 4Å; H1165-Y1196 PolarHBondContact NE2-OH 2.91Å; R1167-Y1196 HydrophobicContact CB-CE1 4.33Å; R1167-Y1196 HydrophobicContact CG-CD1 3.92Å; R1167-Y1196 HydrophobicContact CG-CE1 3.93Å; R1167-Y1196 HydrophobicContact CG-CG 4.38Å; E1187-Y1196 HydrophobicContact CB-CD1 4.13Å; E1187-Y1196 HydrophobicContact CB-CG 4.45Å; E1187-Y1196 WeakPolarHBondContact O-CD1 3.47Å; E1187-Y1196 WeakPolarHBondContact OE2-CB 3.29Å; A1188-Y1196 WeakPolarHBondContact O-CA 3.49Å; W1189-Y1196 HydrophobicContact CB-CD1 4.25Å; W1189-Y1196 HydrophobicContact CB-CE1 3.87Å; W1189-Y1196 HydrophobicContact CE3-CD1 4.45Å; W1189-Y1196 AromaticContact CE3-CD2 3.8Å; W1189-Y1196 HydrophobicContact CE3-CD2 3.8Å; W1189-Y1196 HydrophobicContact CE3-CE1 4.45Å; W1189-Y1196 AromaticContact CE3-CE2 3.82Å; W1189-Y1196 HydrophobicContact CE3-CE2 3.82Å; W1189-Y1196 HydrophobicContact CE3-CG 4.14Å; W1189-Y1196 HydrophobicContact CZ3-CD2 4.16Å; W1189-Y1196 HydrophobicContact CZ3-CE2 4.31Å
1197G92.1Very high94.4Very high0 Ų022.2 Ų22.20%012%0.119CC..EExtended strand (participates in β ladder)trans-134.9133.117600000112.4Y1122 E1187 A1188 I1199Y1122-G1197 WeakPolarHBondContact OH-CA 3.4Å; E1187-G1197 CarbonylContact C-O 3.57Å; E1187-G1197 VanDerWaalsContact CA-O 3.26Å; E1187-G1197 WeakPolarHBondContact CA-O 3.47Å; A1188-G1197 PolarHBondContact N-O 2.77Å; A1188-G1197 PolarHBondContact O-N 2.87Å; G1197-I1199 PolarHBondContact O-N 2.65Å
1198E93.9Very high94.3Very high54 Ų5421.8 Ų21.825%0.25212%0.117SC..EExtended strand (participates in β ladder)trans-57.3118.6178.3-176.1-145.6166.600111I1186 E1187 S1201 R1239I1186-E1198 WeakPolarHBondContact O-CA 3.49Å; E1187-E1198 HydrophobicContact CG-CB 4.42Å; E1198-S1201 PolarHBondContact OE1-OG 2.95Å; E1198-R1239 WeakPolarHBondContact O-CD 3.48Å; E1198-R1239 PolarHBondContact O-NH1 3.48Å; E1198-R1239 IonicContact OE2-NH1 2.74Å; E1198-R1239 PolarHBondContact OE2-NH1 3.34Å
1199I95.2Very high94.3Very high1 Ų121.8 Ų21.81%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-109.9-10.9175.655.2165000112.7F1159 L1164 I1186 A1188 M1190 G1197 A1236 R1239F1159-I1199 HydrophobicContact CD1-CD1 3.54Å; F1159-I1199 HydrophobicContact CD2-CD1 3.84Å; F1159-I1199 HydrophobicContact CE1-CD1 3.57Å; F1159-I1199 HydrophobicContact CE1-CG1 4.36Å; F1159-I1199 HydrophobicContact CE2-CD1 3.86Å; F1159-I1199 HydrophobicContact CE2-CG1 4.2Å; F1159-I1199 HydrophobicContact CG-CD1 3.7Å; F1159-I1199 HydrophobicContact CZ-CD1 3.74Å; F1159-I1199 HydrophobicContact CZ-CG1 4.1Å; L1164-I1199 HydrophobicContact CD1-CD1 4.32Å; I1186-I1199 HydrophobicContact CG2-CD1 4.27Å; I1186-I1199 HydrophobicContact CG2-CG1 4.13Å; I1186-I1199 WeakPolarHBondContact O-CG1 3.38Å; I1186-I1199 PolarHBondContact O-N 3.23Å; A1188-I1199 HydrophobicContact CB-CD1 3.67Å; A1188-I1199 HydrophobicContact CB-CG1 4.14Å; A1188-I1199 HydrophobicContact CB-CG2 3.97Å; M1190-I1199 HydrophobicContact CE-CG2 4.13Å; G1197-I1199 PolarHBondContact O-N 2.65Å; I1199-A1236 WeakPolarHBondContact O-CB 3.39Å; I1199-A1236 PolarHBondContact O-N 3.37Å; I1199-R1239 HydrophobicContact CG2-CB 3.97Å
1200S97Very high94.2Very high1 Ų120.6 Ų20.61%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-164.1148.4-176.6174.50000111.1Q1155 D1185 I1186 T1233Q1155-S1200 PolarHBondContact NE2-OG 3.44Å; D1185-S1200 WeakPolarHBondContact CA-O 3.42Å; I1186-S1200 PolarHBondContact N-O 3.37Å; I1186-S1200 PolarHBondContact O-N 3.27Å; S1200-T1233 WeakPolarHBondContact CB-O 3.3Å; S1200-T1233 PolarHBondContact OG-O 3.45Å
1201S96.6Very high94.3Very high21 Ų2122.6 Ų22.615%0.14712%0.12CC..EExtended strand (participates in β ladder)trans-135.9154171.243.60000109.8Q1155 F1184 D1185 E1198 G1232 T1233Q1155-S1201 PolarHBondContact NE2-O 3.23Å; F1184-S1201 CarbonylContact O-C 3.52Å; F1184-S1201 WeakPolarHBondContact O-CA 3.18Å; D1185-S1201 WeakPolarHBondContact OD1-CB 3.21Å; E1198-S1201 PolarHBondContact OE1-OG 2.95Å; S1201-G1232 CarbonylContact O-C 3.52Å; S1201-G1232 WeakPolarHBondContact O-CA 3.37Å; S1201-T1233 PolarHBondContact O-N 2.88Å
1202A97.9Very high94.4Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-139.3128.6174.800000110.3H1148 I1151 K1183 F1184 N1231H1148-A1202 VanDerWaalsContact NE2-C 3.28Å; H1148-A1202 PolarHBondContact NE2-O 3.48Å; I1151-A1202 HydrophobicContact CG2-CB 3.88Å; K1183-A1202 CarbonylContact C-O 3.25Å; K1183-A1202 WeakPolarHBondContact CA-O 3.28Å; F1184-A1202 PolarHBondContact N-O 2.55Å; F1184-A1202 PolarHBondContact O-N 3.47Å; A1202-N1231 CarbonylContact C-O 3.59Å; A1202-N1231 VanDerWaalsContact CA-O 3.29Å; A1202-N1231 WeakPolarHBondContact CA-O 3.44Å
1203S98.2Very high94.6Very high12 Ų1222.5 Ų22.58%0.08411%0.112CC..EExtended strand (participates in β ladder)trans-125.9129.8-175.9-48.70000111.4R1182 V1230 N1231R1182-S1203 WeakPolarHBondContact O-CA 3.3Å; S1203-V1230 WeakPolarHBondContact O-CA 3.43Å; S1203-V1230 WeakPolarHBondContact O-CG1 3.28Å; S1203-N1231 WeakPolarHBondContact CB-OD1 3.32Å; S1203-N1231 PolarHBondContact N-O 2.88Å; S1203-N1231 PolarHBondContact N-OD1 3.41Å; S1203-N1231 PolarHBondContact O-N 2.87Å; S1203-N1231 PolarHBondContact OG-OD1 2.69Å
1204N98.1Very high94.8Very high0 Ų023.2 Ų23.20%012%0.119CC..EExtended strand (participates in β ladder)trans-87113.8162.6177.83000107.2S1144 D1145 H1148 Y1181 R1182 T1206S1144-N1204 WeakPolarHBondContact CB-OD1 3.05Å; S1144-N1204 PolarHBondContact OG-ND2 2.61Å; S1144-N1204 VanDerWaalsContact OG-ND2 3.09Å; S1144-N1204 PolarHBondContact OG-OD1 3.36Å; S1144-N1204 VanDerWaalsContact OG-OD1 3.07Å; D1145-N1204 PolarHBondContact OD1-ND2 3.17Å; H1148-N1204 HydrophobicContact CB-CB 4.11Å; Y1181-N1204 WeakPolarHBondContact CA-O 3.36Å; Y1181-N1204 VanDerWaalsContact CB-O 3.32Å; Y1181-N1204 WeakPolarHBondContact CB-O 3.42Å; Y1181-N1204 PolarHBondContact N-O 3.39Å; R1182-N1204 PolarHBondContact N-O 3.35Å; R1182-N1204 PolarHBondContact O-N 2.9Å; N1204-T1206 PolarHBondContact OD1-N 3.15Å; N1204-T1206 VanDerWaalsContact OD1-N 3.09Å
1205C97.3Very high95Very high0 Ų017.5 Ų17.50%09%0.088CC..  trans-1006.2-176.9-62.60000112.7N954 P1179 D1207 F1208 Q1209 T1229N954-C1205 PolarHBondContact ND2-O 3.37Å; P1179-C1205 WeakPolarHBondContact O-CA 3.19Å; C1205-D1207 PolarHBondContact O-N 3.4Å; C1205-F1208 WeakPolarHBondContact O-CB 3.41Å; C1205-F1208 PolarHBondContact O-N 3.13Å; C1205-Q1209 HydrophobicContact CB-CG 4.04Å; C1205-T1229 WeakPolarHBondContact CB-OG1 3.25Å; C1205-T1229 PolarHBondContact N-O 3.09Å
1206T96.3Very high95.2Very high15 Ų1517 Ų179%0.0928%0.082CC..THydrogen-bonded Turntrans41.6-132.6-173.359.30000110.5N954 Y1181 N1204 H1228 T1229N954-T1206 PolarHBondContact ND2-OG1 3.26Å; N954-T1206 PolarHBondContact OD1-OG1 2.68Å; Y1181-T1206 HydrophobicContact CD1-CG2 3.86Å; Y1181-T1206 HydrophobicContact CD2-CG2 4.43Å; Y1181-T1206 HydrophobicContact CG-CG2 3.77Å; N1204-T1206 PolarHBondContact OD1-N 3.15Å; N1204-T1206 VanDerWaalsContact OD1-N 3.09Å; T1206-H1228 CarbonylContact O-C 3.4Å; T1206-H1228 WeakPolarHBondContact O-CA 3.32Å; T1206-T1229 PolarHBondContact O-N 2.98Å
1207D95Very high95.3Very high33 Ų3314.9 Ų14.918%0.1767%0.073CC..THydrogen-bonded Turntrans-92.710.317862.6-3.3000113.8C1205 Q1209 S1210 R1211 F1226C1205-D1207 PolarHBondContact O-N 3.4Å; D1207-Q1209 PolarHBondContact O-N 3.02Å; D1207-S1210 WeakPolarHBondContact CA-OG 3.32Å; D1207-S1210 PolarHBondContact O-N 3.25Å; D1207-S1210 PolarHBondContact O-OG 2.63Å; D1207-R1211 HydrophobicContact CB-CG 4.31Å; D1207-R1211 VanDerWaalsContact CG-NE 3.26Å; D1207-R1211 VanDerWaalsContact O-CB 3.28Å; D1207-R1211 WeakPolarHBondContact O-CB 3.26Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.16Å; D1207-R1211 PolarHBondContact O-N 3.37Å; D1207-R1211 IonicContact OD1-NE 3.11Å; D1207-R1211 IonicContact OD2-CZ 3.99Å; D1207-R1211 VanDerWaalsContact OD2-CZ 3.28Å; D1207-R1211 IonicContact OD2-NE 3.47Å; D1207-R1211 PolarHBondContact OD2-NE 2.93Å; D1207-R1211 IonicContact OD2-NH2 3.6Å; D1207-R1211 PolarHBondContact OD2-NH2 3.4Å; D1207-F1226 HydrophobicContact CB-CB 3.92Å
1208F95.4Very high95.4Very high8 Ų817.9 Ų17.94%0.0359%0.087CC..Hα-helixtrans-57.9-49.2-177.7179.7-83.1000112.3N954 A1178 P1179 C1205 R1212N954-F1208 HydrophobicContact CB-CB 4.21Å; N954-F1208 HydrophobicContact CB-CD2 3.73Å; N954-F1208 HydrophobicContact CB-CG 4.26Å; A1178-F1208 HydrophobicContact CB-CZ 4.17Å; P1179-F1208 HydrophobicContact CB-CD1 3.54Å; P1179-F1208 HydrophobicContact CB-CE1 3.7Å; P1179-F1208 HydrophobicContact CB-CG 4.2Å; P1179-F1208 HydrophobicContact CB-CZ 4.45Å; C1205-F1208 WeakPolarHBondContact O-CB 3.41Å; C1205-F1208 PolarHBondContact O-N 3.13Å; F1208-R1212 VanDerWaalsContact CD2-NH1 3.35Å; F1208-R1212 VanDerWaalsContact CE2-NH2 3.26Å; F1208-R1212 VanDerWaalsContact CZ-NH2 3.35Å; F1208-R1212 WeakPolarHBondContact O-CD 3.32Å; F1208-R1212 PolarHBondContact O-NH1 3.49Å
1209Q95.4Very high95.2Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-78.1-41.5-178.4-60.9179.9-40.800110.9C1053 E1080 C1205 D1207 R1211 R1212 L1213 T1229C1053-Q1209 PolarHBondContact O-NE2 3.36Å; E1080-Q1209 PolarHBondContact OE1-NE2 3.12Å; C1205-Q1209 HydrophobicContact CB-CG 4.04Å; D1207-Q1209 PolarHBondContact O-N 3.02Å; Q1209-R1211 VanDerWaalsContact C-N 3.33Å; Q1209-R1211 PolarHBondContact O-N 3.3Å; Q1209-R1212 PolarHBondContact O-N 3.14Å; Q1209-L1213 HydrophobicContact CB-CD1 4.27Å; Q1209-L1213 WeakPolarHBondContact O-CB 3.47Å; Q1209-L1213 VanDerWaalsContact O-CG 3.29Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.47Å; Q1209-L1213 PolarHBondContact O-N 3.15Å; Q1209-T1229 HydrophobicContact CB-CG2 4.42Å; Q1209-T1229 PolarHBondContact OE1-OG1 3.08Å
1210S94.9Very high94.8Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-67.4-31.9-176.263.10000113D1207 R1212 L1213 L1214 T1215 F1226 V1227D1207-S1210 WeakPolarHBondContact CA-OG 3.32Å; D1207-S1210 PolarHBondContact O-N 3.25Å; D1207-S1210 PolarHBondContact O-OG 2.63Å; S1210-R1212 VanDerWaalsContact C-N 3.32Å; S1210-L1213 CarbonylContact O-C 3.59Å; S1210-L1213 PolarHBondContact O-N 3.12Å; S1210-L1214 CarbonylContact O-C 3.51Å; S1210-L1214 WeakPolarHBondContact O-CA 3.28Å; S1210-L1214 PolarHBondContact O-N 3.43Å; S1210-T1215 WeakPolarHBondContact CB-O 3.04Å; S1210-T1215 PolarHBondContact O-N 3.35Å; S1210-F1226 WeakPolarHBondContact O-CD1 3.23Å; S1210-V1227 WeakPolarHBondContact CB-O 3.39Å; S1210-V1227 PolarHBondContact OG-O 3.27Å
1211R94Very high94.3Very high42 Ų4226.2 Ų26.216%0.15813%0.134CC..Hα-helixtrans-63.5-36.7169.6-78.3178.4-176.6-88.35.9113.1E884 D886 D1207 Q1209 F1226E884-R1211 PolarHBondContact N-O 2.82Å; E884-R1211 VanDerWaalsContact O-CB 3.32Å; E884-R1211 WeakPolarHBondContact O-CB 3.42Å; E884-R1211 WeakPolarHBondContact O-CG 3.47Å; D886-R1211 IonicContact OD2-CZ 3.42Å; D886-R1211 IonicContact OD2-NH2 3.47Å; D1207-R1211 HydrophobicContact CB-CG 4.31Å; D1207-R1211 VanDerWaalsContact CG-NE 3.26Å; D1207-R1211 VanDerWaalsContact O-CB 3.28Å; D1207-R1211 WeakPolarHBondContact O-CB 3.26Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.16Å; D1207-R1211 PolarHBondContact O-N 3.37Å; D1207-R1211 IonicContact OD1-NE 3.11Å; D1207-R1211 IonicContact OD2-CZ 3.99Å; D1207-R1211 VanDerWaalsContact OD2-CZ 3.28Å; D1207-R1211 IonicContact OD2-NE 3.47Å; D1207-R1211 PolarHBondContact OD2-NE 2.93Å; D1207-R1211 IonicContact OD2-NH2 3.6Å; D1207-R1211 PolarHBondContact OD2-NH2 3.4Å; Q1209-R1211 VanDerWaalsContact C-N 3.33Å; Q1209-R1211 PolarHBondContact O-N 3.3Å; R1211-F1226 HydrophobicContact CB-CD1 4.49Å; R1211-F1226 HydrophobicContact CB-CE1 4.46Å; R1211-F1226 HydrophobicContact CG-CB 4.38Å; R1211-F1226 HydrophobicContact CG-CD1 3.92Å; R1211-F1226 HydrophobicContact CG-CD2 3.79Å; R1211-F1226 HydrophobicContact CG-CE1 4.13Å; R1211-F1226 HydrophobicContact CG-CE2 4.01Å; R1211-F1226 HydrophobicContact CG-CG 3.74Å; R1211-F1226 HydrophobicContact CG-CZ 4.16Å
1212R93.1Very high93.7Very high29 Ų2927.1 Ų27.111%0.10915%0.147CC..Hα-helixtrans-77.4-34.9178.6-69.2166.717073.5-1112.2P883 L885 A950 S1052 F1208 Q1209 S1210P883-R1212 HydrophobicContact CB-CB 4.39Å; P883-R1212 HydrophobicContact CB-CG 4.28Å; L885-R1212 HydrophobicContact CD2-CG 3.91Å; A950-R1212 PolarHBondContact O-NH2 3.1Å; S1052-R1212 VanDerWaalsContact O-CD 3.28Å; S1052-R1212 WeakPolarHBondContact O-CD 3.45Å; F1208-R1212 VanDerWaalsContact CD2-NH1 3.35Å; F1208-R1212 VanDerWaalsContact CE2-NH2 3.26Å; F1208-R1212 VanDerWaalsContact CZ-NH2 3.35Å; F1208-R1212 WeakPolarHBondContact O-CD 3.32Å; F1208-R1212 PolarHBondContact O-NH1 3.49Å; Q1209-R1212 PolarHBondContact O-N 3.14Å; S1210-R1212 VanDerWaalsContact C-N 3.32Å
1213L92.4Very high93.2Very high0 Ų035.3 Ų35.30%018%0.177CC..THydrogen-bonded Turntrans-89.7-1.6178.6-63.3167000113.7I1049 A1084 I1087 E1088 G1089 Q1209 S1210 T1215I1049-L1213 HydrophobicContact CD1-CD2 4.02Å; A1084-L1213 HydrophobicContact CB-CD1 3.64Å; A1084-L1213 HydrophobicContact CB-CD2 4.31Å; I1087-L1213 HydrophobicContact CD1-CD1 4.38Å; I1087-L1213 HydrophobicContact CG1-CD1 4.45Å; E1088-L1213 HydrophobicContact CB-CD2 4.42Å; E1088-L1213 HydrophobicContact CG-CD2 4.38Å; E1088-L1213 WeakPolarHBondContact CG-O 3.45Å; G1089-L1213 PolarHBondContact N-O 2.77Å; Q1209-L1213 HydrophobicContact CB-CD1 4.27Å; Q1209-L1213 WeakPolarHBondContact O-CB 3.47Å; Q1209-L1213 VanDerWaalsContact O-CG 3.29Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.47Å; Q1209-L1213 PolarHBondContact O-N 3.15Å; S1210-L1213 CarbonylContact O-C 3.59Å; S1210-L1213 PolarHBondContact O-N 3.12Å; L1213-T1215 PolarHBondContact O-N 2.89Å
1214L93.3Very high92.9Very high57 Ų5738.2 Ų38.230%0.29820%0.195SC..THydrogen-bonded Turntrans55.332.9-174.5-56.5175.6000114.1E884 S1210E884-L1214 HydrophobicContact CB-CD2 3.62Å; S1210-L1214 CarbonylContact O-C 3.51Å; S1210-L1214 WeakPolarHBondContact O-CA 3.28Å; S1210-L1214 PolarHBondContact O-N 3.43Å
1215T94.1Very high92.7Very high0 Ų040.9 Ų40.90%021%0.206CC..  trans-88.6113.8-179.6-47.70000111I1087 Q1090 F1092 S1210 L1213 F1226 V1227I1087-T1215 HydrophobicContact CB-CG2 4.22Å; I1087-T1215 HydrophobicContact CD1-CG2 4.27Å; I1087-T1215 HydrophobicContact CG1-CG2 4.46Å; I1087-T1215 PolarHBondContact O-OG1 2.91Å; Q1090-T1215 WeakPolarHBondContact O-CA 3.22Å; F1092-T1215 HydrophobicContact CD2-CG2 4.33Å; F1092-T1215 HydrophobicContact CE2-CG2 3.63Å; S1210-T1215 WeakPolarHBondContact CB-O 3.04Å; S1210-T1215 PolarHBondContact O-N 3.35Å; L1213-T1215 PolarHBondContact O-N 2.89Å; T1215-F1226 WeakPolarHBondContact O-CD1 3.28Å; T1215-V1227 HydrophobicContact CG2-CG2 3.63Å; T1215-V1227 PolarHBondContact O-N 2.91Å
1216K95.4Very high92.6Very high40 Ų4041.7 Ų41.717%0.17421%0.21CC..EExtended strand (participates in β ladder)trans-119.1174-175.3-47.6179.3-175.3-166.50111.9E884 Q1090 T1091 F1092 V1224 K1225 F1226E884-K1216 IonicContact OE1-NZ 2.81Å; E884-K1216 PolarHBondContact OE1-NZ 3.3Å; E884-K1216 IonicContact OE2-NZ 3.35Å; E884-K1216 PolarHBondContact OE2-NZ 2.91Å; Q1090-K1216 PolarHBondContact O-N 3.07Å; T1091-K1216 WeakPolarHBondContact CA-O 3.36Å; T1091-K1216 WeakPolarHBondContact CB-O 3.43Å; T1091-K1216 HydrophobicContact CG2-CB 3.88Å; T1091-K1216 VanDerWaalsContact CG2-O 3.24Å; T1091-K1216 WeakPolarHBondContact CG2-O 3.44Å; T1091-K1216 WeakPolarHBondContact OG1-CA 3.24Å; T1091-K1216 WeakPolarHBondContact OG1-CB 3.41Å; T1091-K1216 PolarHBondContact OG1-N 3.22Å; F1092-K1216 PolarHBondContact N-O 3.32Å; F1092-K1216 VanDerWaalsContact N-O 3.07Å; K1216-V1224 HydrophobicContact CB-CG1 3.78Å; K1216-V1224 HydrophobicContact CD-CG1 3.68Å; K1216-V1224 HydrophobicContact CG-CG1 4.32Å; K1216-K1225 CarbonylContact C-O 3.48Å; K1216-K1225 WeakPolarHBondContact CA-O 3.27Å; K1216-K1225 WeakPolarHBondContact CB-O 3.17Å; K1216-F1226 HydrophobicContact CD-CE1 4.15Å; K1216-F1226 HydrophobicContact CD-CZ 4.26Å; K1216-F1226 VanDerWaalsContact CE-CE1 3.48Å; K1216-F1226 HydrophobicContact CG-CD1 3.81Å; K1216-F1226 HydrophobicContact CG-CE1 3.74Å; K1216-F1226 HydrophobicContact CG-CG 4.44Å; K1216-F1226 HydrophobicContact CG-CZ 4.32Å
1217Y95.6Very high92.6Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-134.5151.6163.474.3-77.3000110.2F1092 E1094 L1097 A1137 C1138 E1139 V1224 K1225 F1226 V1227F1092-Y1217 CarbonylContact O-C 3.56Å; F1092-Y1217 WeakPolarHBondContact O-CA 3.46Å; E1094-Y1217 HydrophobicContact CB-CD2 4.29Å; E1094-Y1217 HydrophobicContact CG-CD2 4.42Å; E1094-Y1217 HydrophobicContact CG-CE2 4.35Å; L1097-Y1217 HydrophobicContact CD1-CD1 4.27Å; L1097-Y1217 HydrophobicContact CD1-CD2 4.06Å; L1097-Y1217 HydrophobicContact CD1-CG 3.71Å; A1137-Y1217 HydrophobicContact CB-CD2 4.14Å; A1137-Y1217 HydrophobicContact CB-CE1 4.34Å; A1137-Y1217 HydrophobicContact CB-CE2 3.66Å; C1138-Y1217 PolarHBondContact N-OH 3.44Å; C1138-Y1217 PolarHBondContact SG-OH 3.31Å; E1139-Y1217 HydrophobicContact CG-CE2 4.43Å; E1139-Y1217 VanDerWaalsContact OE1-CE2 3.23Å; E1139-Y1217 WeakPolarHBondContact OE1-CE2 3.36Å; E1139-Y1217 PolarHBondContact OE1-OH 2.87Å; Y1217-V1224 WeakPolarHBondContact O-CA 3.36Å; Y1217-K1225 HydrophobicContact CD1-CB 4.13Å; Y1217-K1225 WeakPolarHBondContact CD1-O 3.14Å; Y1217-K1225 HydrophobicContact CE1-CB 3.54Å; Y1217-K1225 HydrophobicContact CE1-CD 4.36Å; Y1217-K1225 PolarHBondContact N-O 3.48Å; Y1217-K1225 PolarHBondContact O-N 3.47Å; Y1217-K1225 VanDerWaalsContact OH-CD 3.28Å; Y1217-K1225 WeakPolarHBondContact OH-CD 3.42Å; Y1217-F1226 VanDerWaalsContact CE1-O 3.31Å; Y1217-F1226 WeakPolarHBondContact CE1-O 3.42Å; Y1217-V1227 HydrophobicContact CD1-CB 4.48Å; Y1217-V1227 HydrophobicContact CD1-CG1 3.8Å; Y1217-V1227 HydrophobicContact CG-CG1 4.28Å
1218Q94.7Very high92.7Very high63 Ų6340.6 Ų40.629%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-97.1117.5168.4-171.6169.726.100108.7F1092 E1094 G1222 R1223F1092-Q1218 PolarHBondContact O-N 3.48Å; E1094-Q1218 PolarHBondContact N-O 3.15Å; Q1218-G1222 PolarHBondContact NE2-O 3.05Å; Q1218-R1223 CarbonylContact C-O 3.58Å; Q1218-R1223 WeakPolarHBondContact CA-O 3.14Å
1219S89.4Confident92.8Very high4 Ų440.2 Ų40.23%0.02820%0.201CC..  trans-70.3160.8176.454.80000111.3E1094 E1139 N1221 G1222 R1223E1094-S1219 WeakPolarHBondContact OE2-CA 3.47Å; E1094-S1219 WeakPolarHBondContact OE2-CB 3.22Å; E1139-S1219 WeakPolarHBondContact OE1-CB 3.39Å; S1219-N1221 PolarHBondContact O-N 3.29Å; S1219-N1221 VanDerWaalsContact O-N 3.1Å; S1219-N1221 PolarHBondContact OG-OD1 2.97Å; S1219-G1222 WeakPolarHBondContact O-CA 3.38Å; S1219-G1222 PolarHBondContact O-N 3.15Å; S1219-R1223 PolarHBondContact N-O 3.48Å; S1219-R1223 WeakPolarHBondContact OG-CB 3.21Å; S1219-R1223 PolarHBondContact OG-N 3.4Å; S1219-R1223 PolarHBondContact OG-O 2.85Å
1220N87.5Confident93Very high129 Ų12940.2 Ų40.269%0.6920%0.201SC*.THydrogen-bonded Turntrans-60-22.8-179.4-74.1-38.8000112.9E1094 G1222E1094-N1220 PolarHBondContact OE1-ND2 3.41Å; E1094-N1220 PolarHBondContact OE2-N 2.97Å; E1094-N1220 PolarHBondContact OE2-ND2 3.47Å; N1220-G1222 VanDerWaalsContact C-N 3.3Å
1221N85.2Confident93.1Very high97 Ų9740.6 Ų40.652%0.51920%0.203SC..THydrogen-bonded Turntrans-87.89.2172.965.416.5000113.9S1219 R1223S1219-N1221 PolarHBondContact O-N 3.29Å; S1219-N1221 VanDerWaalsContact O-N 3.1Å; S1219-N1221 PolarHBondContact OG-OD1 2.97Å; N1221-R1223 VanDerWaalsContact C-N 3.34Å; N1221-R1223 PolarHBondContact O-N 3.37Å; N1221-R1223 WeakPolarHBondContact OD1-CB 3.19Å; N1221-R1223 WeakPolarHBondContact OD1-CG 3.2Å; N1221-R1223 PolarHBondContact OD1-N 2.94Å
1222G83.9Confident93.3Very high41 Ų4138.6 Ų38.642%0.42320%0.195SC..SBendtrans84.1-5.9175.900000115.7Q1218 S1219 N1220Q1218-G1222 PolarHBondContact NE2-O 3.05Å; S1219-G1222 WeakPolarHBondContact O-CA 3.38Å; S1219-G1222 PolarHBondContact O-N 3.15Å; N1220-G1222 VanDerWaalsContact C-N 3.3Å
1223R88.7Confident93.5Very high171 Ų17137.5 Ų37.565%0.64519%0.192SC*.  trans-70.7144.9177.5-62179.9179.1-174.1-0.3110.6Q1218 S1219 N1221Q1218-R1223 CarbonylContact C-O 3.58Å; Q1218-R1223 WeakPolarHBondContact CA-O 3.14Å; S1219-R1223 PolarHBondContact N-O 3.48Å; S1219-R1223 WeakPolarHBondContact OG-CB 3.21Å; S1219-R1223 PolarHBondContact OG-N 3.4Å; S1219-R1223 PolarHBondContact OG-O 2.85Å; N1221-R1223 VanDerWaalsContact C-N 3.34Å; N1221-R1223 PolarHBondContact O-N 3.37Å; N1221-R1223 WeakPolarHBondContact OD1-CB 3.19Å; N1221-R1223 WeakPolarHBondContact OD1-CG 3.2Å; N1221-R1223 PolarHBondContact OD1-N 2.94Å
1224V91.7Very high93.7Very high73 Ų7337.5 Ų37.544%0.44219%0.192SC..EExtended strand (participates in β ladder)trans-101.1123.7174.2-178.70000108.2K1216 Y1217K1216-V1224 HydrophobicContact CB-CG1 3.78Å; K1216-V1224 HydrophobicContact CD-CG1 3.68Å; K1216-V1224 HydrophobicContact CG-CG1 4.32Å; Y1217-V1224 WeakPolarHBondContact O-CA 3.36Å
1225K93.1Very high93.7Very high56 Ų5634.9 Ų34.924%0.24318%0.178CC..EExtended strand (participates in β ladder)trans-129157.8-179.3-67174.7-179.2174.10110.1E1139 K1216 Y1217E1139-K1225 IonicContact OE1-NZ 3.37Å; E1139-K1225 PolarHBondContact OE1-NZ 2.87Å; E1139-K1225 IonicContact OE2-NZ 2.63Å; E1139-K1225 PolarHBondContact OE2-NZ 3.25Å; K1216-K1225 CarbonylContact C-O 3.48Å; K1216-K1225 WeakPolarHBondContact CA-O 3.27Å; K1216-K1225 WeakPolarHBondContact CB-O 3.17Å; Y1217-K1225 HydrophobicContact CD1-CB 4.13Å; Y1217-K1225 WeakPolarHBondContact CD1-O 3.14Å; Y1217-K1225 HydrophobicContact CE1-CB 3.54Å; Y1217-K1225 HydrophobicContact CE1-CD 4.36Å; Y1217-K1225 PolarHBondContact N-O 3.48Å; Y1217-K1225 PolarHBondContact O-N 3.47Å; Y1217-K1225 VanDerWaalsContact OH-CD 3.28Å; Y1217-K1225 WeakPolarHBondContact OH-CD 3.42Å
1226F95Very high93.8Very high17 Ų1735.2 Ų35.28%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-71.8139.9171.4-73.7-79.7000110.9E884 D1207 S1210 R1211 T1215 K1216 Y1217E884-F1226 HydrophobicContact CB-CZ 3.76Å; E884-F1226 VanDerWaalsContact CD-CZ 3.45Å; E884-F1226 HydrophobicContact CG-CE2 4.21Å; E884-F1226 HydrophobicContact CG-CZ 3.82Å; E884-F1226 WeakPolarHBondContact OE1-CE2 3.28Å; E884-F1226 WeakPolarHBondContact OE1-CZ 3.49Å; D1207-F1226 HydrophobicContact CB-CB 3.92Å; S1210-F1226 WeakPolarHBondContact O-CD1 3.23Å; R1211-F1226 HydrophobicContact CB-CD1 4.49Å; R1211-F1226 HydrophobicContact CB-CE1 4.46Å; R1211-F1226 HydrophobicContact CG-CB 4.38Å; R1211-F1226 HydrophobicContact CG-CD1 3.92Å; R1211-F1226 HydrophobicContact CG-CD2 3.79Å; R1211-F1226 HydrophobicContact CG-CE1 4.13Å; R1211-F1226 HydrophobicContact CG-CE2 4.01Å; R1211-F1226 HydrophobicContact CG-CG 3.74Å; R1211-F1226 HydrophobicContact CG-CZ 4.16Å; T1215-F1226 WeakPolarHBondContact O-CD1 3.28Å; K1216-F1226 HydrophobicContact CD-CE1 4.15Å; K1216-F1226 HydrophobicContact CD-CZ 4.26Å; K1216-F1226 VanDerWaalsContact CE-CE1 3.48Å; K1216-F1226 HydrophobicContact CG-CD1 3.81Å; K1216-F1226 HydrophobicContact CG-CE1 3.74Å; K1216-F1226 HydrophobicContact CG-CG 4.44Å; K1216-F1226 HydrophobicContact CG-CZ 4.32Å; Y1217-F1226 VanDerWaalsContact CE1-O 3.31Å; Y1217-F1226 WeakPolarHBondContact CE1-O 3.42Å
1227V96.8Very high93.8Very high0 Ų033.3 Ų33.30%017%0.173CC..PPolyproline II helixtrans-68156.2171.2-63.60000109.8F1092 L1097 C1135 T1136 S1210 T1215 Y1217 T1229F1092-V1227 HydrophobicContact CD2-CG1 4.01Å; L1097-V1227 HydrophobicContact CD1-CG1 4.05Å; L1097-V1227 HydrophobicContact CD2-CG1 4.44Å; C1135-V1227 HydrophobicContact CB-CB 4.33Å; C1135-V1227 HydrophobicContact CB-CG2 4.18Å; T1136-V1227 WeakPolarHBondContact O-CA 3.47Å; S1210-V1227 WeakPolarHBondContact CB-O 3.39Å; S1210-V1227 PolarHBondContact OG-O 3.27Å; T1215-V1227 HydrophobicContact CG2-CG2 3.63Å; T1215-V1227 PolarHBondContact O-N 2.91Å; Y1217-V1227 HydrophobicContact CD1-CB 4.48Å; Y1217-V1227 HydrophobicContact CD1-CG1 3.8Å; Y1217-V1227 HydrophobicContact CG-CG1 4.28Å; V1227-T1229 HydrophobicContact CG2-CG2 4.34Å
1228H97.4Very high93.7Very high25 Ų2533.5 Ų33.512%0.11617%0.174CC..EExtended strand (participates in β ladder)trans-88141.9160.6-73.9-165.6000110.2C1135 T1136 C1138 S1144 T1206C1135-H1228 WeakPolarHBondContact CA-O 3.47Å; T1136-H1228 HydrophobicContact CG2-CB 3.99Å; T1136-H1228 PolarHBondContact N-O 3.46Å; T1136-H1228 PolarHBondContact O-N 3.24Å; C1138-H1228 WeakPolarHBondContact CB-NE2 3.31Å; S1144-H1228 PolarHBondContact OG-ND1 3.14Å; T1206-H1228 CarbonylContact O-C 3.4Å; T1206-H1228 WeakPolarHBondContact O-CA 3.32Å
1229T97.9Very high93.6Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-109.2139.9174.959.70000111.4I1087 F1133 A1134 C1205 T1206 Q1209 V1227I1087-T1229 HydrophobicContact CD1-CG2 4.34Å; F1133-T1229 HydrophobicContact CE1-CG2 4.05Å; F1133-T1229 HydrophobicContact CZ-CG2 3.7Å; A1134-T1229 WeakPolarHBondContact O-CA 3.39Å; C1205-T1229 WeakPolarHBondContact CB-OG1 3.25Å; C1205-T1229 PolarHBondContact N-O 3.09Å; T1206-T1229 PolarHBondContact O-N 2.98Å; Q1209-T1229 HydrophobicContact CB-CG2 4.42Å; Q1209-T1229 PolarHBondContact OE1-OG1 3.08Å; V1227-T1229 HydrophobicContact CG2-CG2 4.34Å
1230V98.3Very high93.8Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-133.5128.7176-172.20000108.2F1133 A1134 I1147 H1148 I1151 S1203F1133-V1230 CarbonylContact C-O 3.6Å; F1133-V1230 WeakPolarHBondContact CA-O 3.45Å; A1134-V1230 PolarHBondContact N-O 3.06Å; A1134-V1230 PolarHBondContact O-N 3.46Å; I1147-V1230 HydrophobicContact CB-CG2 4.33Å; I1147-V1230 HydrophobicContact CG2-CB 4.14Å; I1147-V1230 HydrophobicContact CG2-CG1 4.42Å; I1147-V1230 HydrophobicContact CG2-CG2 4.17Å; H1148-V1230 HydrophobicContact CB-CG1 3.89Å; I1151-V1230 HydrophobicContact CD1-CB 4.34Å; I1151-V1230 HydrophobicContact CD1-CG1 3.8Å; S1203-V1230 WeakPolarHBondContact O-CA 3.43Å; S1203-V1230 WeakPolarHBondContact O-CG1 3.28Å
1231N97.6Very high94.1Very high9 Ų925.4 Ų25.45%0.04813%0.131CC..EExtended strand (participates in β ladder)trans-115.3158.4175.563.657000110.7E1080 M1132 F1133 A1202 S1203E1080-N1231 HydrophobicContact CG-CB 4.26Å; E1080-N1231 PolarHBondContact OE1-ND2 3.05Å; M1132-N1231 CarbonylContact O-C 3.49Å; M1132-N1231 WeakPolarHBondContact O-CA 3.26Å; F1133-N1231 HydrophobicContact CD2-CB 4.13Å; A1202-N1231 CarbonylContact C-O 3.59Å; A1202-N1231 VanDerWaalsContact CA-O 3.29Å; A1202-N1231 WeakPolarHBondContact CA-O 3.44Å; S1203-N1231 WeakPolarHBondContact CB-OD1 3.32Å; S1203-N1231 PolarHBondContact N-O 2.88Å; S1203-N1231 PolarHBondContact N-OD1 3.41Å; S1203-N1231 PolarHBondContact O-N 2.87Å; S1203-N1231 PolarHBondContact OG-OD1 2.69Å
1232G97.2Very high94.4Very high0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-165.6138.416800000113.6M1132 S1201 A1234M1132-G1232 WeakPolarHBondContact CA-O 3.3Å; M1132-G1232 VanDerWaalsContact CB-O 3.31Å; M1132-G1232 WeakPolarHBondContact CB-O 3.49Å; M1132-G1232 PolarHBondContact N-O 2.86Å; M1132-G1232 PolarHBondContact O-N 3.31Å; S1201-G1232 CarbonylContact O-C 3.52Å; S1201-G1232 WeakPolarHBondContact O-CA 3.37Å; G1232-A1234 PolarHBondContact O-N 3.46Å
1233T97.9Very high94.8Very high6 Ų618.9 Ų18.94%0.0379%0.086CC..EExtended strand (participates in β ladder)trans-74.8113.8175.3-64.60000109.7K1129 E1131 Q1155 S1200 S1201 A1236K1129-T1233 HydrophobicContact CD-CG2 3.72Å; K1129-T1233 HydrophobicContact CG-CG2 3.77Å; K1129-T1233 PolarHBondContact NZ-OG1 3.25Å; E1131-T1233 VanDerWaalsContact OE2-CA 3.26Å; E1131-T1233 WeakPolarHBondContact OE2-CA 3.49Å; E1131-T1233 PolarHBondContact OE2-OG1 2.8Å; Q1155-T1233 PolarHBondContact NE2-O 3.38Å; S1200-T1233 WeakPolarHBondContact CB-O 3.3Å; S1200-T1233 PolarHBondContact OG-O 3.45Å; S1201-T1233 PolarHBondContact O-N 2.88Å; T1233-A1236 HydrophobicContact CG2-CB 4.15Å
1234A96.9Very high94.9Very high0 Ų010.8 Ų10.80%06%0.055CC..EExtended strand (participates in β ladder)trans-69-42.3171.900000111L1031 V1130 M1132 L1158 F1159 G1232L1031-A1234 HydrophobicContact CD1-CB 3.97Å; V1130-A1234 HydrophobicContact CB-CB 4.16Å; V1130-A1234 HydrophobicContact CG1-CB 4.05Å; V1130-A1234 WeakPolarHBondContact O-CB 3.34Å; V1130-A1234 PolarHBondContact O-N 3.21Å; M1132-A1234 HydrophobicContact CE-CB 3.94Å; M1132-A1234 HydrophobicContact CG-CB 4.09Å; M1132-A1234 HydrophobicContact SD-CB 4.33Å; L1158-A1234 HydrophobicContact CD1-CB 3.89Å; F1159-A1234 WeakPolarHBondContact CZ-O 3.43Å; G1232-A1234 PolarHBondContact O-N 3.46Å
1235C94.1Very high94.8Very high1 Ų17.9 Ų7.91%0.0074%0.037CC..EExtended strand (participates in β ladder)trans-160122174.7-1750000111.3C1027 K1129 V1130 I1237 T1240C1027-C1235 WeakPolarHBondContact SG-CB 3.27Å; K1129-C1235 WeakPolarHBondContact CA-O 3.29Å; V1130-C1235 PolarHBondContact N-O 2.87Å; V1130-C1235 PolarHBondContact O-N 3.34Å; C1235-I1237 HydrophobicContact CB-CD1 4.39Å; C1235-T1240 PolarHBondContact SG-OG1 3.32Å
1236A95.2Very high94.7Very high8 Ų85.2 Ų5.27%0.0663%0.025CC..EExtended strand (participates in β ladder)trans-85.3106.6161.700000108.5I1199 T1233 T1238 T1240I1199-A1236 WeakPolarHBondContact O-CB 3.39Å; I1199-A1236 PolarHBondContact O-N 3.37Å; T1233-A1236 HydrophobicContact CG2-CB 4.15Å; A1236-T1238 PolarHBondContact O-N 3.29Å; A1236-T1240 WeakPolarHBondContact O-CB 3.37Å; A1236-T1240 PolarHBondContact O-N 2.98Å; A1236-T1240 PolarHBondContact O-OG1 3.12Å
1237I94.8Very high94.5Very high0 Ų04.9 Ų4.90%02%0.024CC..Hα-helixtrans-61.7-48.7-163.1-61.1-66000111.7E1020 L1023 I1024 T1128 C1235 R1239 T1240 L1241E1020-I1237 HydrophobicContact CB-CG2 4.05Å; E1020-I1237 HydrophobicContact CG-CG2 3.92Å; L1023-I1237 HydrophobicContact CB-CD1 3.8Å; L1023-I1237 HydrophobicContact CD1-CG2 4.46Å; I1024-I1237 HydrophobicContact CG1-CD1 3.77Å; I1024-I1237 HydrophobicContact CG1-CG1 4.14Å; T1128-I1237 HydrophobicContact CG2-CG1 3.92Å; T1128-I1237 WeakPolarHBondContact O-CB 3.27Å; T1128-I1237 VanDerWaalsContact O-CG1 3.29Å; T1128-I1237 WeakPolarHBondContact O-CG1 3.42Å; T1128-I1237 PolarHBondContact O-N 2.87Å; C1235-I1237 HydrophobicContact CB-CD1 4.39Å; I1237-R1239 PolarHBondContact O-N 3.49Å; I1237-T1240 PolarHBondContact O-N 2.88Å; I1237-L1241 HydrophobicContact CG2-CD1 3.96Å; I1237-L1241 HydrophobicContact CG2-CG 4.17Å; I1237-L1241 VanDerWaalsContact O-CG 3.3Å; I1237-L1241 WeakPolarHBondContact O-CG 3.28Å; I1237-L1241 PolarHBondContact O-N 2.96Å
1238T93.4Very high94Very high3 Ų37.1 Ų7.12%0.0184%0.035CC..Hα-helixtrans-61.5-47.3-175.352.80000113Y1010 I1121 F1127 A1236 T1240 L1241 I1242Y1010-T1238 HydrophobicContact CE1-CG2 4.48Å; Y1010-T1238 HydrophobicContact CE2-CG2 4.23Å; Y1010-T1238 VanDerWaalsContact OH-CG2 3.27Å; Y1010-T1238 WeakPolarHBondContact OH-CG2 3.46Å; I1121-T1238 WeakPolarHBondContact O-CB 3.48Å; I1121-T1238 PolarHBondContact O-OG1 2.88Å; F1127-T1238 HydrophobicContact CB-CG2 3.64Å; A1236-T1238 PolarHBondContact O-N 3.29Å; T1238-T1240 VanDerWaalsContact C-N 3.33Å; T1238-T1240 PolarHBondContact O-N 3.46Å; T1238-L1241 WeakPolarHBondContact O-CB 3.34Å; T1238-L1241 PolarHBondContact O-N 3.39Å; T1238-I1242 WeakPolarHBondContact O-CD1 3.47Å; T1238-I1242 WeakPolarHBondContact O-CG1 3.32Å; T1238-I1242 PolarHBondContact O-N 3.28Å
1239R93.8Very high93.3Very high27 Ų276.6 Ų6.610%0.1023%0.032CC..Hα-helixtrans-68.7-33.4178.2-60.4-174.3-172.3166.42.4112.1Y1122 M1190 E1198 I1199 I1237 I1242 A1243Y1122-R1239 HydrophobicContact CD2-CG 4.1Å; Y1122-R1239 HydrophobicContact CE2-CG 4.3Å; Y1122-R1239 PolarHBondContact O-NE 2.67Å; M1190-R1239 HydrophobicContact CE-CB 4.41Å; E1198-R1239 WeakPolarHBondContact O-CD 3.48Å; E1198-R1239 PolarHBondContact O-NH1 3.48Å; E1198-R1239 IonicContact OE2-NH1 2.74Å; E1198-R1239 PolarHBondContact OE2-NH1 3.34Å; I1199-R1239 HydrophobicContact CG2-CB 3.97Å; I1237-R1239 PolarHBondContact O-N 3.49Å; R1239-I1242 PolarHBondContact O-N 3.23Å; R1239-A1243 PolarHBondContact O-N 2.74Å; R1239-A1243 VanDerWaalsContact O-N 3.12Å
1240T94Very high92.3Very high0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-68.4-39174.3-540000111.6L1023 L1162 L1164 C1235 A1236 I1237 T1238 I1242 A1243 L1244L1023-T1240 HydrophobicContact CD1-CG2 4.35Å; L1023-T1240 HydrophobicContact CD2-CG2 4.46Å; L1162-T1240 HydrophobicContact CD1-CG2 4.01Å; L1164-T1240 HydrophobicContact CD1-CG2 4.39Å; C1235-T1240 PolarHBondContact SG-OG1 3.32Å; A1236-T1240 WeakPolarHBondContact O-CB 3.37Å; A1236-T1240 PolarHBondContact O-N 2.98Å; A1236-T1240 PolarHBondContact O-OG1 3.12Å; I1237-T1240 PolarHBondContact O-N 2.88Å; T1238-T1240 VanDerWaalsContact C-N 3.33Å; T1238-T1240 PolarHBondContact O-N 3.46Å; T1240-I1242 VanDerWaalsContact C-N 3.3Å; T1240-I1242 PolarHBondContact O-N 3.29Å; T1240-A1243 PolarHBondContact O-N 2.91Å; T1240-L1244 HydrophobicContact CG2-CD1 4.04Å; T1240-L1244 HydrophobicContact CG2-CG 4.41Å; T1240-L1244 WeakPolarHBondContact O-CB 3.35Å; T1240-L1244 WeakPolarHBondContact O-CG 3.47Å; T1240-L1244 PolarHBondContact O-N 3.38Å
1241L92.6Very high91.2Very high0 Ų015.9 Ų15.90%08%0.079CC..Hα-helixtrans-58.3-43.1173.2-74.3173.2000111.3L1012 L1016 L1019 E1020 L1023 I1121 I1237 T1238 L1244 M1245L1012-L1241 HydrophobicContact CD1-CD1 3.91Å; L1016-L1241 HydrophobicContact CD1-CD1 4.25Å; L1016-L1241 HydrophobicContact CD1-CD2 4.04Å; L1019-L1241 HydrophobicContact CB-CD2 3.99Å; L1019-L1241 HydrophobicContact CD2-CD2 3.53Å; L1019-L1241 HydrophobicContact CG-CD2 3.52Å; E1020-L1241 HydrophobicContact CB-CD1 4.44Å; L1023-L1241 HydrophobicContact CD1-CD2 3.61Å; L1023-L1241 HydrophobicContact CD1-CG 4Å; I1121-L1241 HydrophobicContact CD1-CB 4.49Å; I1237-L1241 HydrophobicContact CG2-CD1 3.96Å; I1237-L1241 HydrophobicContact CG2-CG 4.17Å; I1237-L1241 VanDerWaalsContact O-CG 3.3Å; I1237-L1241 WeakPolarHBondContact O-CG 3.28Å; I1237-L1241 PolarHBondContact O-N 2.96Å; T1238-L1241 WeakPolarHBondContact O-CB 3.34Å; T1238-L1241 PolarHBondContact O-N 3.39Å; L1241-L1244 PolarHBondContact O-N 3.5Å; L1241-M1245 WeakPolarHBondContact O-CB 3.37Å; L1241-M1245 VanDerWaalsContact O-CG 3.24Å; L1241-M1245 WeakPolarHBondContact O-CG 3.36Å; L1241-M1245 PolarHBondContact O-N 3.03Å
1242I92.6Very high89.4Confident0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-60.4-53.3176.3-60.8153.3000110.2A987 I1121 Y1122 M1190 R1193 T1238 R1239 T1240 L1244 M1245 E1246A987-I1242 HydrophobicContact CB-CB 3.98Å; A987-I1242 HydrophobicContact CB-CG1 3.98Å; A987-I1242 HydrophobicContact CB-CG2 3.72Å; I1121-I1242 HydrophobicContact CD1-CG1 4.09Å; I1121-I1242 HydrophobicContact CG1-CD1 3.78Å; I1121-I1242 HydrophobicContact CG1-CG1 3.74Å; Y1122-I1242 HydrophobicContact CD2-CD1 4Å; Y1122-I1242 HydrophobicContact CG-CD1 4.5Å; M1190-I1242 HydrophobicContact CE-CB 4.48Å; M1190-I1242 HydrophobicContact CE-CG2 4.4Å; M1190-I1242 HydrophobicContact CG-CG2 4.2Å; M1190-I1242 HydrophobicContact SD-CB 4.47Å; M1190-I1242 HydrophobicContact SD-CG2 3.78Å; R1193-I1242 VanDerWaalsContact CZ-CG2 3.46Å; T1238-I1242 WeakPolarHBondContact O-CD1 3.47Å; T1238-I1242 WeakPolarHBondContact O-CG1 3.32Å; T1238-I1242 PolarHBondContact O-N 3.28Å; R1239-I1242 PolarHBondContact O-N 3.23Å; T1240-I1242 VanDerWaalsContact C-N 3.3Å; T1240-I1242 PolarHBondContact O-N 3.29Å; I1242-L1244 VanDerWaalsContact C-N 3.27Å; I1242-L1244 PolarHBondContact O-N 3.17Å; I1242-M1245 PolarHBondContact O-N 2.63Å; I1242-E1246 HydrophobicContact CG2-CG 4.26Å; I1242-E1246 WeakPolarHBondContact CG2-OE1 3.27Å; I1242-E1246 WeakPolarHBondContact O-CB 3.48Å; I1242-E1246 WeakPolarHBondContact O-CG 3.28Å; I1242-E1246 PolarHBondContact O-N 3.22Å
1243A91.9Very high86.7Confident0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-57.2-42.8-179.200000111.7L1164 A1188 M1190 R1239 T1240 Q1247L1164-A1243 HydrophobicContact CD1-CB 4.25Å; L1164-A1243 HydrophobicContact CD2-CB 4.04Å; A1188-A1243 HydrophobicContact CB-CB 3.72Å; M1190-A1243 HydrophobicContact CE-CB 4.4Å; R1239-A1243 PolarHBondContact O-N 2.74Å; R1239-A1243 VanDerWaalsContact O-N 3.12Å; T1240-A1243 PolarHBondContact O-N 2.91Å; A1243-Q1247 VanDerWaalsContact O-CB 3.24Å; A1243-Q1247 WeakPolarHBondContact O-CB 3.32Å; A1243-Q1247 VanDerWaalsContact O-CG 3.26Å; A1243-Q1247 WeakPolarHBondContact O-CG 3.34Å; A1243-Q1247 PolarHBondContact O-N 2.78Å
1244L90.5Very high83.7Confident1 Ų136 Ų361%0.00518%0.181CC..Hα-helixtrans-62.5-50.3176.7-77.6168.9000112.2L1023 L1162 L1164 T1240 L1241 I1242 E1246 H1248 L1276L1023-L1244 HydrophobicContact CD1-CD1 3.87Å; L1023-L1244 HydrophobicContact CD2-CD1 3.71Å; L1023-L1244 HydrophobicContact CG-CD1 4.29Å; L1162-L1244 HydrophobicContact CB-CD2 4.15Å; L1162-L1244 HydrophobicContact CD2-CD2 4.47Å; L1164-L1244 HydrophobicContact CD2-CD2 3.89Å; L1164-L1244 HydrophobicContact CD2-CG 4.21Å; L1164-L1244 HydrophobicContact CG-CD2 4.36Å; T1240-L1244 HydrophobicContact CG2-CD1 4.04Å; T1240-L1244 HydrophobicContact CG2-CG 4.41Å; T1240-L1244 WeakPolarHBondContact O-CB 3.35Å; T1240-L1244 WeakPolarHBondContact O-CG 3.47Å; T1240-L1244 PolarHBondContact O-N 3.38Å; L1241-L1244 PolarHBondContact O-N 3.5Å; I1242-L1244 VanDerWaalsContact C-N 3.27Å; I1242-L1244 PolarHBondContact O-N 3.17Å; L1244-E1246 PolarHBondContact O-N 3.45Å; L1244-H1248 WeakPolarHBondContact O-CB 3.33Å; L1244-H1248 PolarHBondContact O-CD2 3.48Å; L1244-H1248 VanDerWaalsContact O-CD2 3.31Å; L1244-H1248 PolarHBondContact O-N 2.96Å; L1244-L1276 HydrophobicContact CB-CD2 4.38Å; L1244-L1276 HydrophobicContact CD1-CD2 4.5Å; L1244-L1276 HydrophobicContact CD2-CD1 4.26Å; L1244-L1276 HydrophobicContact CD2-CD2 4.2Å
1245M89.7Confident80.4Confident12 Ų1240.3 Ų40.36%0.05921%0.211CC..Hα-helixtrans-61.7-46.9-178.8-74.1-176.361.400111.8A987 L990 A991 L1016 L1241 I1242 Q1249A987-M1245 HydrophobicContact CB-CB 4.13Å; A987-M1245 HydrophobicContact CB-CE 4.42Å; A987-M1245 HydrophobicContact CB-SD 4.24Å; A987-M1245 VanDerWaalsContact O-CE 3.25Å; A987-M1245 WeakPolarHBondContact O-CE 3.44Å; L990-M1245 HydrophobicContact CB-CE 3.58Å; L990-M1245 HydrophobicContact CD1-CB 4.44Å; L990-M1245 HydrophobicContact CD1-CE 4.35Å; A991-M1245 HydrophobicContact CB-CE 3.87Å; L1016-M1245 HydrophobicContact CD1-SD 3.68Å; L1241-M1245 WeakPolarHBondContact O-CB 3.37Å; L1241-M1245 VanDerWaalsContact O-CG 3.24Å; L1241-M1245 WeakPolarHBondContact O-CG 3.36Å; L1241-M1245 PolarHBondContact O-N 3.03Å; I1242-M1245 PolarHBondContact O-N 2.63Å; M1245-Q1249 WeakPolarHBondContact O-CB 3.43Å; M1245-Q1249 PolarHBondContact O-N 3.48Å; M1245-Q1249 VanDerWaalsContact O-N 3.17Å
1246E90.9Very high77.2Confident0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-73.5-38.7-175.5-66.8-171.8-17000112.2F980 T986 A987 M1190 P1191 G1192 R1193 I1242 L1244 Q1249F980-E1246 WeakPolarHBondContact CZ-O 3.33Å; T986-E1246 WeakPolarHBondContact CA-OE1 3.45Å; A987-E1246 HydrophobicContact CB-CG 4.03Å; A987-E1246 PolarHBondContact N-OE1 2.78Å; M1190-E1246 WeakPolarHBondContact CA-OE2 3.23Å; M1190-E1246 WeakPolarHBondContact CB-OE2 3.37Å; P1191-E1246 VanDerWaalsContact CG-C 3.49Å; P1191-E1246 HydrophobicContact CG-CB 3.78Å; P1191-E1246 VanDerWaalsContact CG-O 3.22Å; P1191-E1246 WeakPolarHBondContact CG-O 3.46Å; G1192-E1246 WeakPolarHBondContact CA-OE2 3.49Å; G1192-E1246 PolarHBondContact N-OE2 2.89Å; R1193-E1246 PolarHBondContact N-OE2 2.76Å; R1193-E1246 IonicContact NE-OE1 3.57Å; I1242-E1246 HydrophobicContact CG2-CG 4.26Å; I1242-E1246 WeakPolarHBondContact CG2-OE1 3.27Å; I1242-E1246 WeakPolarHBondContact O-CB 3.48Å; I1242-E1246 WeakPolarHBondContact O-CG 3.28Å; I1242-E1246 PolarHBondContact O-N 3.22Å; L1244-E1246 PolarHBondContact O-N 3.45Å; E1246-Q1249 WeakPolarHBondContact O-CG 3.45Å; E1246-Q1249 PolarHBondContact O-NE2 3.44Å
1247Q90Very high73.9Confident10 Ų1056 Ų565%0.04729%0.289CS..Hα-helixtrans-76.2-32.6178.6-65.7-168.838.100112.8K978 H1165 W1189 P1191 A1243K978-Q1247 WeakPolarHBondContact CD-O 3.38Å; K978-Q1247 PolarHBondContact NZ-O 3.32Å; K978-Q1247 VanDerWaalsContact NZ-O 3.09Å; H1165-Q1247 PolarHBondContact O-NE2 3.09Å; H1165-Q1247 VanDerWaalsContact O-NE2 3.1Å; W1189-Q1247 WeakPolarHBondContact O-CG 3.38Å; W1189-Q1247 PolarHBondContact O-NE2 3.27Å; P1191-Q1247 HydrophobicContact CG-CG 4.23Å; A1243-Q1247 VanDerWaalsContact O-CB 3.24Å; A1243-Q1247 WeakPolarHBondContact O-CB 3.32Å; A1243-Q1247 VanDerWaalsContact O-CG 3.26Å; A1243-Q1247 WeakPolarHBondContact O-CG 3.34Å; A1243-Q1247 PolarHBondContact O-N 2.78Å
1248H86.3Confident70.7Confident48 Ų4859.7 Ų59.722%0.22231%0.314CS..Hα-helixtrans-93.94.8-178.2-66.7-72.9000114.4L1162 E1163 L1244L1162-H1248 PolarHBondContact O-NE2 3.47Å; L1162-H1248 VanDerWaalsContact O-NE2 3.14Å; E1163-H1248 IonicContact OE2-CE1 2.7Å; L1244-H1248 WeakPolarHBondContact O-CB 3.33Å; L1244-H1248 PolarHBondContact O-CD2 3.48Å; L1244-H1248 VanDerWaalsContact O-CD2 3.31Å; L1244-H1248 PolarHBondContact O-N 2.96Å
1249Q84.1Confident67.6Low14 Ų1468.6 Ų68.67%0.06536%0.358CS..  trans-61.8155176.872.6-174.8-71.600113.5K978 F980 F982 P984 A985 L990 M1245 E1246K978-Q1249 PolarHBondContact NZ-O 3.37Å; F980-Q1249 HydrophobicContact CD1-CG 4.14Å; F980-Q1249 HydrophobicContact CE1-CG 3.46Å; F980-Q1249 VanDerWaalsContact CE1-CG 3.46Å; F980-Q1249 HydrophobicContact CZ-CG 4.01Å; F982-Q1249 HydrophobicContact CE2-CG 4.05Å; F982-Q1249 HydrophobicContact CZ-CG 4.11Å; P984-Q1249 VanDerWaalsContact CB-NE2 3.34Å; A985-Q1249 PolarHBondContact O-NE2 3.37Å; L990-Q1249 HydrophobicContact CD1-CB 4.01Å; M1245-Q1249 WeakPolarHBondContact O-CB 3.43Å; M1245-Q1249 PolarHBondContact O-N 3.48Å; M1245-Q1249 VanDerWaalsContact O-N 3.17Å; E1246-Q1249 WeakPolarHBondContact O-CG 3.45Å; E1246-Q1249 PolarHBondContact O-NE2 3.44Å
1250T77.3Confident64.5Low81 Ų8178.1 Ų78.150%0.49739%0.393SS..  trans-132.5153.3179.457.50000110.4F982 V1252F982-T1250 VanDerWaalsContact CZ-C 3.41Å; T1250-V1252 PolarHBondContact O-N 3.23Å
1251K75.3Confident61.2Low114 Ų11482.8 Ų82.850%0.49642%0.418SS..  trans-58.1126.5-179.9-164.1172.2-166161.40111.3D981 F982D981-K1251 WeakPolarHBondContact OD2-CD 3.34Å; D981-K1251 IonicContact OD2-NZ 2.86Å; D981-K1251 PolarHBondContact OD2-NZ 3.16Å; F982-K1251 HydrophobicContact CB-CG 4.37Å; F982-K1251 HydrophobicContact CD1-CB 3.59Å; F982-K1251 HydrophobicContact CD1-CD 4.21Å; F982-K1251 HydrophobicContact CD1-CG 3.88Å; F982-K1251 HydrophobicContact CE1-CB 3.68Å; F982-K1251 HydrophobicContact CE1-CG 4.46Å; F982-K1251 HydrophobicContact CG-CB 4.28Å; F982-K1251 HydrophobicContact CG-CG 4.21Å; F982-K1251 HydrophobicContact CZ-CB 4.41Å; F982-K1251 VanDerWaalsContact CZ-N 3.32Å
1252V58.6Low58.3Low99 Ų9989.6 Ų89.660%0.645%0.449SS*.  trans-79.3117.3171.1-176.60000107.4T1250 E1254T1250-V1252 PolarHBondContact O-N 3.23Å; V1252-E1254 PolarHBondContact O-N 3.31Å
1253M41.6Very low55.4Low141 Ų14195.3 Ų95.370%0.69548%0.483SS*.  trans-71.8114174.3-78-161.3-68.500109.6S1255M1253-S1255 PolarHBondContact O-N 2.76Å; M1253-S1255 VanDerWaalsContact O-N 3.09Å
1254E34.4Very low52.4Low198 Ų19898 Ų9893%0.92550%0.503SS*.  trans-70.211.9-178.1-95.7-177.1157.700115.9V1252 T1256V1252-E1254 PolarHBondContact O-N 3.31Å; E1254-T1256 PolarHBondContact O-N 3.3Å
1255S26.7Very low49.8Very low90 Ų90103 Ų10363%0.62953%0.525SS*.  trans-90.8114.1179.553.90000112.3M1253M1253-S1255 PolarHBondContact O-N 2.76Å; M1253-S1255 VanDerWaalsContact O-N 3.09Å
1256T27.7Very low47.1Very low121 Ų121108 Ų10874%0.74254%0.544SS*.  trans86.180.9172.551.50000119E1254 S1258E1254-T1256 PolarHBondContact O-N 3.3Å; T1256-S1258 PolarHBondContact O-N 3.42Å; T1256-S1258 VanDerWaalsContact O-N 3.12Å
1257F26.6Very low44.4Very low218 Ų218115.4 Ų115.496%0.95658%0.576SS**  trans-70.193.5154.2-135.1-95.9000109.5
1258S26.5Very low41.8Very low76 Ų76119.5 Ų119.553%0.53160%0.598SS.*  trans-135.1122.6166.6171.20000108.9T1256 R1260 N1261T1256-S1258 PolarHBondContact O-N 3.42Å; T1256-S1258 VanDerWaalsContact O-N 3.12Å; S1258-R1260 PolarHBondContact O-N 2.91Å; S1258-N1261 PolarHBondContact O-N 3.07Å
1259M28.5Very low39.6Very low190 Ų190119.3 Ų119.394%0.93660%0.597SS**THydrogen-bonded Turntrans-60.83.3-174.1-79.8-146-67.800115.7
1260R27.9Very low37.3Very low227 Ų227119.9 Ų119.986%0.85760%0.604SS**THydrogen-bonded Turntrans-96.9-6.9-179.2-79.4-175.7174.8178.7-1.3116S1258S1258-R1260 PolarHBondContact O-N 2.91Å
1261N26.4Very low35.4Very low98 Ų98121.3 Ų121.352%0.52461%0.608SS.*  trans-120.846.7-173.9-76.5-18.8000114.7S1258 T1263 S1264S1258-N1261 PolarHBondContact O-N 3.07Å; N1261-T1263 PolarHBondContact O-N 3.31Å; N1261-T1263 VanDerWaalsContact O-N 3.12Å; N1261-S1264 PolarHBondContact O-N 2.9Å; N1261-S1264 PolarHBondContact O-OG 3.49Å
1262F30.1Very low33.7Very low144 Ų144117.5 Ų117.563%0.63260%0.598SS**THydrogen-bonded Turntrans-58.7-21.7176-154.2-99.2000113.2
1263T31.6Very low32.8Very low119 Ų119113.7 Ų113.773%0.7358%0.575SS**THydrogen-bonded Turntrans-82.3-14.4179.644.40000115.1N1261N1261-T1263 PolarHBondContact O-N 3.31Å; N1261-T1263 VanDerWaalsContact O-N 3.12Å
1264S30.8Very low32.8Very low58 Ų58110.8 Ų110.841%0.40657%0.566SS.*THydrogen-bonded Turntrans-87.5-31.6-177.362.60000113.4N1261 W1266 K1267N1261-S1264 PolarHBondContact O-N 2.9Å; N1261-S1264 PolarHBondContact O-OG 3.49Å; S1264-W1266 PolarHBondContact O-N 3.41Å; S1264-K1267 PolarHBondContact O-N 2.95Å; S1264-K1267 VanDerWaalsContact O-N 3.1Å
1265H34Very low33.1Very low105 Ų105104.6 Ų104.649%0.48654%0.544SS..THydrogen-bonded Turntrans-68.8-22.6174.7-73.269.2000112.3K1267H1265-K1267 PolarHBondContact O-N 3.05Å
1266W34.3Very low34Very low117 Ų117101.4 Ų101.444%0.44352%0.519SS..Hα-helixtrans-61-28.4169.9-85.370.8000112.7Q1015 S1264 N1268 A1270Q1015-W1266 VanDerWaalsContact CD-CH2 3.41Å; Q1015-W1266 VanDerWaalsContact CD-CZ3 3.5Å; Q1015-W1266 HydrophobicContact CG-CZ3 4.4Å; S1264-W1266 PolarHBondContact O-N 3.41Å; W1266-N1268 PolarHBondContact O-N 2.85Å; W1266-A1270 VanDerWaalsContact O-CA 3.3Å; W1266-A1270 WeakPolarHBondContact O-CA 3.4Å; W1266-A1270 WeakPolarHBondContact O-CB 3.36Å; W1266-A1270 PolarHBondContact O-N 3.34Å
1267K33.3Very low35Very low155 Ų15598.9 Ų98.967%0.67450%0.499SS*.Hα-helixtrans-67.7-36.5-176.2-88.7-177174.3179.70113.6S1264 H1265 L1271S1264-K1267 PolarHBondContact O-N 2.95Å; S1264-K1267 VanDerWaalsContact O-N 3.1Å; H1265-K1267 PolarHBondContact O-N 3.05Å; K1267-L1271 WeakPolarHBondContact O-CB 3.17Å; K1267-L1271 WeakPolarHBondContact O-CD1 3.46Å; K1267-L1271 PolarHBondContact O-N 3.5Å
1268N36.5Very low36Very low96 Ų9691 Ų9151%0.51347%0.474SS..Hα-helixtrans-83.2-36.5-173.5-68.7-18.2000112.9W1266 A1272W1266-N1268 PolarHBondContact O-N 2.85Å; N1268-A1272 PolarHBondContact O-N 3.37Å
1269F38.5Very low37Very low45 Ų4592.7 Ų92.720%0.19747%0.472CS..Hα-helixtrans-83-29.9170.4-162.1-97.9000112.5F994 I996 L1271 A1272 S1273F994-F1269 HydrophobicContact CD2-CD2 4.29Å; F994-F1269 HydrophobicContact CD2-CE2 4.39Å; F994-F1269 HydrophobicContact CD2-CG 4.39Å; F994-F1269 HydrophobicContact CE1-CB 4.12Å; F994-F1269 HydrophobicContact CE1-CG 4.47Å; F994-F1269 HydrophobicContact CE2-CB 4.48Å; F994-F1269 AromaticContact CE2-CD2 3.65Å; F994-F1269 HydrophobicContact CE2-CD2 3.65Å; F994-F1269 AromaticContact CE2-CE2 3.97Å; F994-F1269 HydrophobicContact CE2-CE2 3.97Å; F994-F1269 HydrophobicContact CE2-CG 4.03Å; F994-F1269 HydrophobicContact CZ-CB 4.03Å; F994-F1269 AromaticContact CZ-CD2 3.92Å; F994-F1269 HydrophobicContact CZ-CD2 3.92Å; F994-F1269 HydrophobicContact CZ-CG 4.08Å; I996-F1269 HydrophobicContact CD1-CE1 3.94Å; I996-F1269 HydrophobicContact CD1-CZ 4.29Å; F1269-L1271 VanDerWaalsContact C-N 3.34Å; F1269-A1272 PolarHBondContact O-N 2.93Å; F1269-S1273 VanDerWaalsContact O-CB 3.28Å; F1269-S1273 WeakPolarHBondContact O-CB 3.49Å; F1269-S1273 PolarHBondContact O-N 3.23Å
1270A37.5Very low37.8Very low26 Ų2684.2 Ų84.222%0.21543%0.43CS..Hα-helixtrans-70-30169.300000111.3W1266 T1274W1266-A1270 VanDerWaalsContact O-CA 3.3Å; W1266-A1270 WeakPolarHBondContact O-CA 3.4Å; W1266-A1270 WeakPolarHBondContact O-CB 3.36Å; W1266-A1270 PolarHBondContact O-N 3.34Å; A1270-T1274 VanDerWaalsContact O-CA 3.26Å; A1270-T1274 WeakPolarHBondContact O-CA 3.46Å; A1270-T1274 WeakPolarHBondContact O-CB 3.34Å; A1270-T1274 PolarHBondContact O-N 3.15Å; A1270-T1274 PolarHBondContact O-OG1 2.74Å
1271L37.2Very low38.6Very low110 Ų11077.5 Ų77.558%0.57641%0.414SS*.Hα-helixtrans-65.2-42.2168.9-98.8141.6000111K1267 F1269 C1275K1267-L1271 WeakPolarHBondContact O-CB 3.17Å; K1267-L1271 WeakPolarHBondContact O-CD1 3.46Å; K1267-L1271 PolarHBondContact O-N 3.5Å; F1269-L1271 VanDerWaalsContact C-N 3.34Å; L1271-C1275 WeakPolarHBondContact O-CA 3.48Å; L1271-C1275 WeakPolarHBondContact O-CB 3.22Å; L1271-C1275 PolarHBondContact O-N 3.45Å; L1271-C1275 PolarHBondContact O-SG 3.32Å; L1271-C1275 VanDerWaalsContact O-SG 3.33Å
1272A40Very low39.2Very low35 Ų3578.9 Ų78.929%0.28944%0.439SS..Hα-helixtrans-71.3-46.4177.200000113.3N1268 F1269 L1276N1268-A1272 PolarHBondContact O-N 3.37Å; F1269-A1272 PolarHBondContact O-N 2.93Å; A1272-L1276 WeakPolarHBondContact O-CA 3.37Å; A1272-L1276 WeakPolarHBondContact O-CB 3.25Å; A1272-L1276 PolarHBondContact O-N 2.92Å
1273S39.2Very low39.6Very low18 Ų1875.6 Ų75.613%0.12643%0.43CS..Hα-helixtrans-77.5-30.1-179.2102.10000112.6F1269 H1277F1269-S1273 VanDerWaalsContact O-CB 3.28Å; F1269-S1273 WeakPolarHBondContact O-CB 3.49Å; F1269-S1273 PolarHBondContact O-N 3.23Å; S1273-H1277 WeakPolarHBondContact O-CA 3.49Å; S1273-H1277 WeakPolarHBondContact O-CB 3.37Å; S1273-H1277 PolarHBondContact O-N 2.85Å
1274T40.9Very low40Very low81 Ų8173.3 Ų73.350%0.49741%0.414SS..Hα-helixtrans-82.1-32.7172.8-40.60000110.4A1270 A1278A1270-T1274 VanDerWaalsContact O-CA 3.26Å; A1270-T1274 WeakPolarHBondContact O-CA 3.46Å; A1270-T1274 WeakPolarHBondContact O-CB 3.34Å; A1270-T1274 PolarHBondContact O-N 3.15Å; A1270-T1274 PolarHBondContact O-OG1 2.74Å; T1274-A1278 WeakPolarHBondContact O-CA 3.2Å; T1274-A1278 WeakPolarHBondContact O-CB 3.49Å; T1274-A1278 PolarHBondContact O-N 3.46Å
1275C40.6Very low40.5Very low68 Ų6874.2 Ų74.246%0.45941%0.414SS..Hα-helixtrans-67.6-39.7166.4-83.80000111.6L1271 A1278 K1279L1271-C1275 WeakPolarHBondContact O-CA 3.48Å; L1271-C1275 WeakPolarHBondContact O-CB 3.22Å; L1271-C1275 PolarHBondContact O-N 3.45Å; L1271-C1275 PolarHBondContact O-SG 3.32Å; L1271-C1275 VanDerWaalsContact O-SG 3.33Å; C1275-A1278 PolarHBondContact O-N 3.39Å; C1275-K1279 WeakPolarHBondContact O-CB 3.27Å; C1275-K1279 VanDerWaalsContact O-CG 3.24Å; C1275-K1279 WeakPolarHBondContact O-CG 3.45Å; C1275-K1279 PolarHBondContact O-N 3.45Å
1276L46.4Very low40.9Very low22 Ų2272.4 Ų72.412%0.11541%0.41CS..Hα-helixtrans-70.3-42.6177.7-165.374.1000110.2L1019 L1244 A1272 K1279 I1280L1019-L1276 HydrophobicContact CD1-CD2 4.04Å; L1019-L1276 HydrophobicContact CD2-CD2 4.26Å; L1244-L1276 HydrophobicContact CB-CD2 4.38Å; L1244-L1276 HydrophobicContact CD1-CD2 4.5Å; L1244-L1276 HydrophobicContact CD2-CD1 4.26Å; L1244-L1276 HydrophobicContact CD2-CD2 4.2Å; A1272-L1276 WeakPolarHBondContact O-CA 3.37Å; A1272-L1276 WeakPolarHBondContact O-CB 3.25Å; A1272-L1276 PolarHBondContact O-N 2.92Å; L1276-K1279 PolarHBondContact O-N 3.35Å; L1276-I1280 HydrophobicContact CD2-CD1 4.43Å; L1276-I1280 HydrophobicContact CG-CD1 3.9Å; L1276-I1280 WeakPolarHBondContact O-CB 3.41Å; L1276-I1280 WeakPolarHBondContact O-CD1 3.12Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.46Å; L1276-I1280 PolarHBondContact O-N 3.34Å
1277H47.4Very low41.3Very low68 Ų6869.6 Ų69.632%0.31541%0.408SS..Hα-helixtrans-62.7-43.5171.5-176.870.3000111.8A1022 S1273 I1280 T1281A1022-H1277 WeakPolarHBondContact CB-ND1 3.45Å; S1273-H1277 WeakPolarHBondContact O-CA 3.49Å; S1273-H1277 WeakPolarHBondContact O-CB 3.37Å; S1273-H1277 PolarHBondContact O-N 2.85Å; H1277-I1280 PolarHBondContact O-N 2.86Å; H1277-T1281 WeakPolarHBondContact O-CB 3.48Å; H1277-T1281 PolarHBondContact O-N 3.17Å; H1277-T1281 PolarHBondContact O-OG1 2.89Å
1278A47.7Very low41.9Very low52 Ų5263.9 Ų63.943%0.4339%0.391SS..Hα-helixtrans-66.4-36.917600000112.1T1274 C1275 T1281 A1282T1274-A1278 WeakPolarHBondContact O-CA 3.2Å; T1274-A1278 WeakPolarHBondContact O-CB 3.49Å; T1274-A1278 PolarHBondContact O-N 3.46Å; C1275-A1278 PolarHBondContact O-N 3.39Å; A1278-T1281 PolarHBondContact O-N 2.98Å; A1278-A1282 WeakPolarHBondContact O-CB 3.28Å; A1278-A1282 PolarHBondContact O-N 3.42Å
1279K47.6Very low42.3Very low113 Ų11361.6 Ų61.649%0.49138%0.382SS..Hα-helixtrans-71.3-30.1173.4-81.7-173.7175-165.60113.4E1163 C1275 L1276E1163-K1279 VanDerWaalsContact CD-NZ 3.28Å; E1163-K1279 IonicContact OE1-NZ 3.57Å; E1163-K1279 PolarHBondContact OE1-NZ 2.92Å; E1163-K1279 IonicContact OE2-NZ 2.74Å; E1163-K1279 PolarHBondContact OE2-NZ 2.95Å; C1275-K1279 WeakPolarHBondContact O-CB 3.27Å; C1275-K1279 VanDerWaalsContact O-CG 3.24Å; C1275-K1279 WeakPolarHBondContact O-CG 3.45Å; C1275-K1279 PolarHBondContact O-N 3.45Å; L1276-K1279 PolarHBondContact O-N 3.35Å
1280I45.6Very low42.5Very low11 Ų1162.8 Ų62.86%0.05640%0.396CS..Hα-helixtrans-80-29.1175.3-72.8171.7000110.5L1019 A1022 L1023 F1026 L1162 L1276 H1277L1019-I1280 HydrophobicContact CD1-CD1 3.85Å; A1022-I1280 HydrophobicContact CB-CG2 3.94Å; A1022-I1280 WeakPolarHBondContact O-CG2 3.29Å; L1023-I1280 HydrophobicContact CD2-CD1 3.98Å; F1026-I1280 HydrophobicContact CB-CG2 3.55Å; F1026-I1280 HydrophobicContact CD2-CG2 4.48Å; F1026-I1280 HydrophobicContact CG-CG2 4.15Å; L1162-I1280 HydrophobicContact CD2-CD1 4Å; L1162-I1280 HydrophobicContact CD2-CG1 3.83Å; L1276-I1280 HydrophobicContact CD2-CD1 4.43Å; L1276-I1280 HydrophobicContact CG-CD1 3.9Å; L1276-I1280 WeakPolarHBondContact O-CB 3.41Å; L1276-I1280 WeakPolarHBondContact O-CD1 3.12Å; L1276-I1280 WeakPolarHBondContact O-CG1 3.46Å; L1276-I1280 PolarHBondContact O-N 3.34Å; H1277-I1280 PolarHBondContact O-N 2.86Å
1281T44.2Very low43Very low86 Ų8665.9 Ų65.953%0.52841%0.411SS..Hα-helixtrans-86.3-30.1179.4-54.70000112.6H1277 A1278H1277-T1281 WeakPolarHBondContact O-CB 3.48Å; H1277-T1281 PolarHBondContact O-N 3.17Å; H1277-T1281 PolarHBondContact O-OG1 2.89Å; A1278-T1281 PolarHBondContact O-N 2.98Å
1282A38.9Very low43.5Very low127 Ų12761.9 Ų61.9100%1.0540%0.396SS*.  trans-80.10168.600000110.6A1278A1278-A1282 WeakPolarHBondContact O-CB 3.28Å; A1278-A1282 PolarHBondContact O-N 3.42Å

Retrieved 1,282 of 1,282 residues in 1075.7 ms (Link to these results)

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