A0A087XBI4_POEFO Loading...

(3R)-3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A087XBI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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
1M82.1Confident94.6Very high117 Ų11740.2 Ų40.258%0.57621%0.207SC*.  01070-73.3-177.7-176.300108.7I4 E28 L53M1-I4 HydrophobicContact CB-CD1 3.97Å; M1-I4 HydrophobicContact CB-CG1 3.81Å; M1-E28 CarbonylContact C-O 3.34Å; M1-E28 WeakPolarHBondContact CA-O 3.45Å; M1-E28 VanDerWaalsContact CA-OE2 3.29Å; M1-E28 WeakPolarHBondContact CA-OE2 3.34Å; M1-E28 VanDerWaalsContact CB-O 3.26Å; M1-E28 WeakPolarHBondContact CB-O 3.46Å; M1-L53 HydrophobicContact CE-CD2 4.38Å; M1-L53 HydrophobicContact CE-CG 4.44Å; M1-L53 HydrophobicContact SD-CD1 3.59Å; M1-L53 VanDerWaalsContact SD-CD1 3.59Å; M1-L53 HydrophobicContact SD-CD2 3.88Å; M1-L53 HydrophobicContact SD-CG 3.89Å
2R93.3Very high94.9Very high81 Ų8137.8 Ų37.831%0.30620%0.199SC..  trans-92-9.1-172.3-64.6172.4-71168.93.3114.1E28 D234R2-E28 IonicContact CZ-OE1 3.35Å; R2-E28 PolarHBondContact N-O 3Å; R2-E28 PolarHBondContact N-OE2 2.92Å; R2-E28 IonicContact NE-OE1 3.12Å; R2-E28 PolarHBondContact NE-OE1 3.43Å; R2-E28 VanDerWaalsContact NE-OE1 3.12Å; R2-E28 IonicContact NE-OE2 3.43Å; R2-E28 PolarHBondContact NE-OE2 3.14Å; R2-E28 IonicContact NH2-OE1 2.73Å; R2-E28 PolarHBondContact NH2-OE1 2.74Å; R2-D234 WeakPolarHBondContact CD-OD2 3.26Å; R2-D234 IonicContact NH1-OD2 3.46Å; R2-D234 PolarHBondContact NH1-OD2 3.25Å
3L94.8Very high95.2Very high0 Ų034.8 Ų34.80%018%0.184CC..  trans-123.523-169.9-58.6179.1000112.9S5 R6 L25 E28 G29 A30 A231L3-S5 PolarHBondContact O-N 3.27Å; L3-R6 HydrophobicContact CB-CB 4.24Å; L3-R6 HydrophobicContact CB-CG 4.22Å; L3-R6 HydrophobicContact CD2-CG 4.28Å; L3-R6 VanDerWaalsContact O-CB 3.26Å; L3-R6 WeakPolarHBondContact O-CB 3.38Å; L3-R6 PolarHBondContact O-N 3.14Å; L3-L25 HydrophobicContact CD1-CB 4.27Å; L3-L25 HydrophobicContact CD1-CD2 3.32Å; L3-L25 HydrophobicContact CD1-CG 4.36Å; L3-E28 CarbonylContact C-O 3.54Å; L3-E28 WeakPolarHBondContact CA-O 3.4Å; L3-E28 HydrophobicContact CB-CB 4.05Å; L3-E28 HydrophobicContact CD1-CB 3.93Å; L3-E28 HydrophobicContact CG-CB 3.96Å; L3-E28 PolarHBondContact N-O 3.45Å; L3-G29 CarbonylContact O-C 3.46Å; L3-A30 HydrophobicContact CB-CB 3.72Å; L3-A30 HydrophobicContact CD1-CB 4.3Å; L3-A30 WeakPolarHBondContact O-CA 3.49Å; L3-A231 HydrophobicContact CD1-CB 4.15Å; L3-A231 HydrophobicContact CD2-CB 4.06Å
4I93.4Very high95.3Very high97 Ų9732.4 Ų32.450%0.49717%0.171SC..THydrogen-bonded Turntrans-52.7132.6175.4-60.7175.2000109.5M1 R6 L53M1-I4 HydrophobicContact CB-CD1 3.97Å; M1-I4 HydrophobicContact CB-CG1 3.81Å; I4-R6 PolarHBondContact O-N 2.91Å; I4-R6 VanDerWaalsContact O-N 3.09Å; I4-L53 HydrophobicContact CG1-CD1 4.15Å
5S90.3Very high95.4Very high104 Ų10433.9 Ų33.973%0.72719%0.185SC*.THydrogen-bonded Turntrans63.37.8-179.6-53.20000115.3L3L3-S5 PolarHBondContact O-N 3.27Å
6R94.3Very high95.5Very high39 Ų3932.8 Ų32.815%0.14718%0.184CC..  trans-80.9130171.5-63.1-70.7-168.3144.33.9109.2L3 I4 T8 A30 S31 S87 K138 D233L3-R6 HydrophobicContact CB-CB 4.24Å; L3-R6 HydrophobicContact CB-CG 4.22Å; L3-R6 HydrophobicContact CD2-CG 4.28Å; L3-R6 VanDerWaalsContact O-CB 3.26Å; L3-R6 WeakPolarHBondContact O-CB 3.38Å; L3-R6 PolarHBondContact O-N 3.14Å; I4-R6 PolarHBondContact O-N 2.91Å; I4-R6 VanDerWaalsContact O-N 3.09Å; R6-T8 HydrophobicContact CB-CG2 4.48Å; R6-A30 HydrophobicContact CB-CB 4.45Å; R6-A30 WeakPolarHBondContact O-CA 3.22Å; R6-S31 PolarHBondContact O-N 2.84Å; R6-S87 WeakPolarHBondContact CD-OG 3.46Å; R6-K138 PolarHBondContact NH1-O 2.85Å; R6-D233 IonicContact NH2-OD1 2.66Å; R6-D233 PolarHBondContact NH2-OD1 3.16Å; R6-D233 VanDerWaalsContact NH2-OD1 3.1Å; R6-D233 IonicContact NH2-OD2 3.5Å
7L97.3Very high95.7Very high2 Ų232.5 Ų32.51%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-87.9128.8164-177.463.6000108.9V33 I78 Y82 Q84 P86 S87 V88L7-V33 HydrophobicContact CD1-CG2 4.04Å; L7-I78 HydrophobicContact CD2-CG2 3.78Å; L7-Y82 HydrophobicContact CD1-CD1 3.86Å; L7-Y82 HydrophobicContact CD1-CD2 4.03Å; L7-Y82 HydrophobicContact CD1-CE1 3.92Å; L7-Y82 HydrophobicContact CD1-CE2 4.11Å; L7-Y82 HydrophobicContact CD1-CG 3.9Å; L7-Y82 HydrophobicContact CD2-CD1 4.44Å; L7-Y82 HydrophobicContact CD2-CD2 4.06Å; L7-Y82 HydrophobicContact CD2-CG 3.81Å; L7-Q84 HydrophobicContact CD2-CG 3.87Å; L7-Q84 WeakPolarHBondContact CD2-O 3.29Å; L7-P86 HydrophobicContact CG-CB 4.32Å; L7-P86 CarbonylContact O-C 3.54Å; L7-P86 WeakPolarHBondContact O-CA 3.49Å; L7-S87 PolarHBondContact O-N 3.19Å; L7-S87 PolarHBondContact O-OG 2.9Å; L7-V88 PolarHBondContact O-N 2.83Å
8T98.5Very high95.8Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-124142-177.676.70000110.9R6 L25 A30 S31 V33 V88R6-T8 HydrophobicContact CB-CG2 4.48Å; T8-L25 HydrophobicContact CG2-CD1 4.21Å; T8-A30 HydrophobicContact CG2-CB 3.56Å; T8-S31 PolarHBondContact N-O 2.99Å; T8-S31 PolarHBondContact OG1-O 3.14Å; T8-V33 PolarHBondContact O-N 2.92Å; T8-V88 CarbonylContact C-O 3.56Å; T8-V88 VanDerWaalsContact CA-O 3.25Å; T8-V88 WeakPolarHBondContact CA-O 3.09Å; T8-V88 HydrophobicContact CG2-CB 3.84Å; T8-V88 HydrophobicContact CG2-CG1 4.42Å; T8-V88 HydrophobicContact CG2-CG2 4.27Å
9L98.8Very high96Very high0 Ų031.8 Ų31.80%017%0.173CC..EExtended strand (participates in β ladder)trans-111.3129.7169.2170.161.1000109.3T11 V33 A35 L74 I78 P86 V88 C89 V90 V123 V127L9-T11 HydrophobicContact CD1-CG2 4.42Å; L9-T11 HydrophobicContact CD2-CG2 4.44Å; L9-T11 HydrophobicContact CG-CG2 4.32Å; L9-V33 HydrophobicContact CD1-CB 4.08Å; L9-V33 HydrophobicContact CD1-CG1 3.86Å; L9-A35 HydrophobicContact CD1-CB 3.71Å; L9-L74 HydrophobicContact CD1-CD2 4.02Å; L9-L74 HydrophobicContact CD2-CD2 4.2Å; L9-I78 HydrophobicContact CD1-CD1 4.14Å; L9-I78 HydrophobicContact CD2-CD1 4.22Å; L9-P86 HydrophobicContact CB-CB 3.84Å; L9-P86 HydrophobicContact CB-CG 3.91Å; L9-P86 HydrophobicContact CD2-CG 4.42Å; L9-V88 PolarHBondContact N-O 3.32Å; L9-C89 CarbonylContact O-C 3.54Å; L9-C89 WeakPolarHBondContact O-CA 3.38Å; L9-V90 PolarHBondContact O-N 2.73Å; L9-V123 HydrophobicContact CD2-CG1 4.22Å; L9-V127 HydrophobicContact CD2-CG2 4.08Å
10V98.9Very high96.1Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-122111.7172.1-174.30000108.4V21 L25 V32 V33 A35 V90V10-V21 HydrophobicContact CG1-CB 4.4Å; V10-V21 HydrophobicContact CG1-CG1 4.2Å; V10-V21 HydrophobicContact CG2-CG1 3.98Å; V10-L25 HydrophobicContact CG2-CD1 3.82Å; V10-V32 HydrophobicContact CG2-CG1 4.19Å; V10-V33 PolarHBondContact N-O 3.09Å; V10-A35 PolarHBondContact O-N 3.41Å; V10-V90 WeakPolarHBondContact CA-O 3.29Å; V10-V90 HydrophobicContact CG1-CB 4.35Å; V10-V90 HydrophobicContact CG2-CB 4.33Å; V10-V90 HydrophobicContact CG2-CG2 4.5Å
11T98.9Very high96.2Very high2 Ų229.2 Ų29.21%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-86.9146.1172.967.50000110.3L9 G13 A35 V65 V90 N91 S92 A93 V123L9-T11 HydrophobicContact CD1-CG2 4.42Å; L9-T11 HydrophobicContact CD2-CG2 4.44Å; L9-T11 HydrophobicContact CG-CG2 4.32Å; T11-G13 PolarHBondContact O-N 3.08Å; T11-A35 CarbonylContact C-O 3.54Å; T11-A35 VanDerWaalsContact CA-O 3.29Å; T11-A35 WeakPolarHBondContact CA-O 3.49Å; T11-V65 HydrophobicContact CG2-CG1 4.16Å; T11-V90 PolarHBondContact N-O 3.32Å; T11-N91 WeakPolarHBondContact OG1-CA 3.45Å; T11-S92 CarbonylContact O-C 3.56Å; T11-S92 VanDerWaalsContact O-C 3.3Å; T11-S92 VanDerWaalsContact O-CA 3.27Å; T11-S92 WeakPolarHBondContact O-CA 3.25Å; T11-S92 WeakPolarHBondContact O-CB 3.42Å; T11-S92 PolarHBondContact O-N 3.01Å; T11-S92 VanDerWaalsContact O-N 3.07Å; T11-S92 PolarHBondContact OG1-N 2.77Å; T11-A93 PolarHBondContact O-N 2.9Å; T11-V123 HydrophobicContact CG2-CG1 3.97Å; T11-V123 HydrophobicContact CG2-CG2 4.16Å
12G98.4Very high97Very high11 Ų1123.7 Ų23.711%0.11313%0.133CC..THydrogen-bonded Turntrans66.123-167.200000111.9G14 G18 A35 D36G12-G14 PolarHBondContact O-N 3.48Å; G12-G18 WeakPolarHBondContact O-CA 3.38Å; G12-A35 PolarHBondContact N-O 2.81Å; G12-D36 VanDerWaalsContact C-OD2 3.22Å; G12-D36 WeakPolarHBondContact CA-OD2 3.47Å
13G98.3Very high97.3Very high0 Ų023.5 Ų23.50%014%0.136CC..THydrogen-bonded Turntrans-74.3-6.6-174.600000113.7T11 S15 R19 V34 A35 T45T11-G13 PolarHBondContact O-N 3.08Å; G13-S15 VanDerWaalsContact C-N 3.33Å; G13-S15 PolarHBondContact O-N 3.23Å; G13-R19 VanDerWaalsContact O-CA 3.31Å; G13-R19 WeakPolarHBondContact O-CA 3.37Å; G13-R19 PolarHBondContact O-N 3.17Å; G13-V34 VanDerWaalsContact C-CG1 3.45Å; G13-V34 WeakPolarHBondContact O-CG1 3.2Å; G13-A35 PolarHBondContact N-O 3.3Å; G13-T45 WeakPolarHBondContact O-CG2 3.47Å; G13-T45 PolarHBondContact O-OG1 3.1Å
14G97.7Very high97.4Very high0 Ų026.4 Ų26.40%015%0.147CC..THydrogen-bonded Turntrans-74.1-19.8-175.800000113.9G12 R19 D36 S41 T45G12-G14 PolarHBondContact O-N 3.48Å; G14-R19 VanDerWaalsContact O-CZ 3.23Å; G14-R19 PolarHBondContact O-NE 3.46Å; G14-R19 VanDerWaalsContact O-NE 3.1Å; G14-R19 PolarHBondContact O-NH2 2.88Å; G14-D36 WeakPolarHBondContact CA-OD2 3.32Å; G14-D36 PolarHBondContact N-OD2 3.33Å; G14-S41 WeakPolarHBondContact CA-O 3.42Å; G14-T45 PolarHBondContact O-OG1 2.89Å; G14-T45 VanDerWaalsContact O-OG1 3.14Å
15S96.6Very high97.7Very high55 Ų5521.9 Ų21.939%0.38512%0.123SC..SBendtrans-152.2173.6-175.569.90000113.3G13 I17 G18 R19G13-S15 VanDerWaalsContact C-N 3.33Å; G13-S15 PolarHBondContact O-N 3.23Å; S15-I17 PolarHBondContact O-N 3.1Å; S15-G18 PolarHBondContact O-N 3.43Å; S15-R19 PolarHBondContact O-N 2.58Å
16G96.4Very high98Very high16 Ų1617 Ų1717%0.1659%0.089CC..Hα-helixtrans49-131.2169.900000114.9G18 R19 A20G16-G18 PolarHBondContact O-N 2.78Å; G16-R19 PolarHBondContact O-N 2.97Å; G16-A20 PolarHBondContact O-N 3.18Å; G16-A20 VanDerWaalsContact O-N 3.16Å
17I98.3Very high98.1Very high29 Ų2916.9 Ų16.915%0.14910%0.095CC..Hα-helixtrans-60.2-43.4179.1-65.9170.4000111.4S15 R19 A20 V21 L144 P189 I192 T194 P220 V223S15-I17 PolarHBondContact O-N 3.1Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.88Å; I17-A20 PolarHBondContact O-N 3.25Å; I17-V21 HydrophobicContact CG2-CG2 4.09Å; I17-V21 VanDerWaalsContact O-CG2 3.25Å; I17-V21 WeakPolarHBondContact O-CG2 3.39Å; I17-V21 PolarHBondContact O-N 3.3Å; I17-L144 HydrophobicContact CG2-CD1 4.06Å; I17-L144 HydrophobicContact CG2-CG 4.49Å; I17-P189 HydrophobicContact CD1-CB 4.29Å; I17-P189 HydrophobicContact CD1-CG 4.04Å; I17-I192 HydrophobicContact CD1-CB 4.35Å; I17-I192 HydrophobicContact CD1-CG1 4.24Å; I17-I192 HydrophobicContact CD1-CG2 4.31Å; I17-I192 HydrophobicContact CG1-CG2 4.16Å; I17-T194 HydrophobicContact CG1-CG2 4.08Å; I17-P220 HydrophobicContact CG1-CB 4.43Å; I17-V223 HydrophobicContact CD1-CG1 4.49Å; I17-V223 HydrophobicContact CD1-CG2 4.29Å; I17-V223 HydrophobicContact CG2-CB 4.09Å; I17-V223 HydrophobicContact CG2-CG1 3.68Å
18G98.5Very high98.1Very high1 Ų117.7 Ų17.71%0.0110%0.099CC..Hα-helixtrans-61-42.2-179.100000112.2G12 S15 G16 V21 S22 S92G12-G18 WeakPolarHBondContact O-CA 3.38Å; S15-G18 PolarHBondContact O-N 3.43Å; G16-G18 PolarHBondContact O-N 2.78Å; G18-V21 PolarHBondContact O-N 2.94Å; G18-S22 PolarHBondContact O-N 3.02Å; G18-S22 PolarHBondContact O-OG 2.87Å; G18-S92 PolarHBondContact N-OG 3.12Å
19R98.5Very high97.9Very high50 Ų5017.9 Ų17.919%0.18910%0.1CC..Hα-helixtrans-60.7-47.2174.1178.6-177.2-66.7176.3-5.2111.8G13 G14 S15 G16 I17 V21 S22 Q23 E44 T45G13-R19 VanDerWaalsContact O-CA 3.31Å; G13-R19 WeakPolarHBondContact O-CA 3.37Å; G13-R19 PolarHBondContact O-N 3.17Å; G14-R19 VanDerWaalsContact O-CZ 3.23Å; G14-R19 PolarHBondContact O-NE 3.46Å; G14-R19 VanDerWaalsContact O-NE 3.1Å; G14-R19 PolarHBondContact O-NH2 2.88Å; S15-R19 PolarHBondContact O-N 2.58Å; G16-R19 PolarHBondContact O-N 2.97Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.88Å; R19-V21 VanDerWaalsContact C-N 3.32Å; R19-V21 PolarHBondContact O-N 3.47Å; R19-S22 WeakPolarHBondContact O-CB 3.26Å; R19-S22 PolarHBondContact O-N 2.8Å; R19-Q23 WeakPolarHBondContact O-CG 3.37Å; R19-Q23 PolarHBondContact O-N 3.15Å; R19-E44 IonicContact CZ-OE2 2.98Å; R19-E44 IonicContact NH1-OE1 3.1Å; R19-E44 IonicContact NH2-OE1 3.18Å; R19-E44 IonicContact NH2-OE2 2.63Å; R19-E44 PolarHBondContact NH2-OE2 3.21Å; R19-T45 HydrophobicContact CB-CG2 4.3Å; R19-T45 HydrophobicContact CG-CG2 3.81Å; R19-T45 PolarHBondContact NE-OG1 2.76Å; R19-T45 VanDerWaalsContact NE-OG1 3.15Å
20A98.6Very high97.8Very high10 Ų1017.9 Ų17.98%0.08310%0.1CC..Hα-helixtrans-62.9-39.7178.300000111.9G16 I17 Q23 R24 P220 A224G16-A20 PolarHBondContact O-N 3.18Å; G16-A20 VanDerWaalsContact O-N 3.16Å; I17-A20 PolarHBondContact O-N 3.25Å; A20-Q23 PolarHBondContact O-N 2.71Å; A20-R24 WeakPolarHBondContact O-CB 3.47Å; A20-R24 PolarHBondContact O-N 3.01Å; A20-P220 HydrophobicContact CB-CB 3.52Å; A20-A224 HydrophobicContact CB-CB 4.1Å; A20-A224 WeakPolarHBondContact O-CB 3.34Å
21V98.8Very high97.8Very high0 Ų018.6 Ų18.60%011%0.105CC..Hα-helixtrans-60.2-49.4172.2171.80000110.4V10 I17 G18 R19 Q23 R24 L25 V90 A224 C227V10-V21 HydrophobicContact CG1-CB 4.4Å; V10-V21 HydrophobicContact CG1-CG1 4.2Å; V10-V21 HydrophobicContact CG2-CG1 3.98Å; I17-V21 HydrophobicContact CG2-CG2 4.09Å; I17-V21 VanDerWaalsContact O-CG2 3.25Å; I17-V21 WeakPolarHBondContact O-CG2 3.39Å; I17-V21 PolarHBondContact O-N 3.3Å; G18-V21 PolarHBondContact O-N 2.94Å; R19-V21 VanDerWaalsContact C-N 3.32Å; R19-V21 PolarHBondContact O-N 3.47Å; V21-Q23 VanDerWaalsContact C-N 3.32Å; V21-Q23 PolarHBondContact O-N 3.35Å; V21-R24 PolarHBondContact O-N 3.38Å; V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.06Å; V21-L25 VanDerWaalsContact O-CG 3.27Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 2.84Å; V21-V90 HydrophobicContact CG1-CB 4.16Å; V21-V90 HydrophobicContact CG1-CG1 4.08Å; V21-V90 HydrophobicContact CG1-CG2 3.9Å; V21-A224 HydrophobicContact CB-CB 4.46Å; V21-A224 HydrophobicContact CG2-CB 3.99Å; V21-C227 HydrophobicContact CG1-CB 4.26Å; V21-C227 HydrophobicContact CG2-CB 4.02Å
22S98.8Very high97.8Very high0 Ų018.5 Ų18.50%011%0.105CC..Hα-helixtrans-57-45.1178.2-66.10000112.2G18 R19 A26G18-S22 PolarHBondContact O-N 3.02Å; G18-S22 PolarHBondContact O-OG 2.87Å; R19-S22 WeakPolarHBondContact O-CB 3.26Å; R19-S22 PolarHBondContact O-N 2.8Å; S22-A26 WeakPolarHBondContact O-CB 3.35Å; S22-A26 PolarHBondContact O-N 2.9Å
23Q98.4Very high97.8Very high77 Ų7718 Ų1836%0.3610%0.099SC..Hα-helixtrans-61.7-46.8176-72171.7-31.500111.7R19 A20 V21 A26 S27 L49R19-Q23 WeakPolarHBondContact O-CG 3.37Å; R19-Q23 PolarHBondContact O-N 3.15Å; A20-Q23 PolarHBondContact O-N 2.71Å; V21-Q23 VanDerWaalsContact C-N 3.32Å; V21-Q23 PolarHBondContact O-N 3.35Å; Q23-A26 PolarHBondContact O-N 2.63Å; Q23-S27 PolarHBondContact O-N 3.1Å; Q23-L49 HydrophobicContact CB-CD2 4.32Å; Q23-L49 HydrophobicContact CG-CD2 3.8Å
24R98.4Very high97.8Very high62 Ų6218 Ų1823%0.23410%0.099CC..Hα-helixtrans-63.8-45.4179.8-177.965.5-160.7-117.37.1111.9A20 V21 A26 S27 E28 A224 D225 A228A20-R24 WeakPolarHBondContact O-CB 3.47Å; A20-R24 PolarHBondContact O-N 3.01Å; V21-R24 PolarHBondContact O-N 3.38Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-A26 PolarHBondContact O-N 3.39Å; R24-S27 PolarHBondContact O-N 3.21Å; R24-S27 PolarHBondContact O-OG 2.93Å; R24-E28 IonicContact CZ-OE1 3.62Å; R24-E28 IonicContact NE-OE1 3.46Å; R24-E28 PolarHBondContact NE-OE1 3.1Å; R24-E28 IonicContact NH2-OE1 2.66Å; R24-E28 PolarHBondContact NH2-OE1 2.86Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.38Å; R24-A224 HydrophobicContact CB-CB 3.81Å; R24-A224 HydrophobicContact CG-CB 4.32Å; R24-D225 IonicContact CZ-OD1 3.75Å; R24-D225 IonicContact NH1-OD1 3.17Å; R24-D225 PolarHBondContact NH1-OD1 3.15Å; R24-D225 IonicContact NH1-OD2 3.56Å; R24-D225 PolarHBondContact NH1-OD2 3.37Å; R24-A228 HydrophobicContact CG-CB 3.62Å
25L98.3Very high97.9Very high1 Ų118 Ų181%0.00510%0.099CC..Hα-helixtrans-63.6-39.5178.1-63178.1000111.5L3 T8 V10 V21 E28 A30 V32 V90 A228 A231L3-L25 HydrophobicContact CD1-CB 4.27Å; L3-L25 HydrophobicContact CD1-CD2 3.32Å; L3-L25 HydrophobicContact CD1-CG 4.36Å; T8-L25 HydrophobicContact CG2-CD1 4.21Å; V10-L25 HydrophobicContact CG2-CD1 3.82Å; V21-L25 HydrophobicContact CG1-CD1 3.74Å; V21-L25 HydrophobicContact CG1-CG 4.06Å; V21-L25 VanDerWaalsContact O-CG 3.27Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 2.84Å; L25-E28 PolarHBondContact O-N 3.45Å; L25-A30 HydrophobicContact CB-CB 4.39Å; L25-A30 WeakPolarHBondContact O-CB 3.29Å; L25-A30 PolarHBondContact O-N 2.9Å; L25-A30 VanDerWaalsContact O-N 3.15Å; L25-V32 HydrophobicContact CB-CG2 4.13Å; L25-V90 HydrophobicContact CD1-CG2 4.21Å; L25-A228 HydrophobicContact CD2-CB 4.25Å; L25-A231 HydrophobicContact CD2-CB 3.93Å
26A97.8Very high98Very high2 Ų216.2 Ų16.22%0.0179%0.086CC..Hα-helixtrans-62.6-45.6174.300000112S22 Q23 R24 E28 G29 V32 L49 Q56S22-A26 WeakPolarHBondContact O-CB 3.35Å; S22-A26 PolarHBondContact O-N 2.9Å; Q23-A26 PolarHBondContact O-N 2.63Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-A26 PolarHBondContact O-N 3.39Å; A26-E28 PolarHBondContact O-N 3.08Å; A26-E28 VanDerWaalsContact O-N 3.14Å; A26-G29 PolarHBondContact O-N 3Å; A26-V32 HydrophobicContact CB-CG2 3.94Å; A26-L49 HydrophobicContact CB-CB 4.06Å; A26-L49 HydrophobicContact CB-CD1 4.44Å; A26-L49 HydrophobicContact CB-CD2 4.16Å; A26-L49 HydrophobicContact CB-CG 4.44Å; A26-Q56 PolarHBondContact O-NE2 3.46Å
27S96.6Very high98.1Very high37 Ų3721 Ų2126%0.25911%0.106SC..Hα-helixtrans-61.9-21.6177.175.90000113.6Q23 R24 G29Q23-S27 PolarHBondContact O-N 3.1Å; R24-S27 PolarHBondContact O-N 3.21Å; R24-S27 PolarHBondContact O-OG 2.93Å; S27-G29 VanDerWaalsContact C-N 3.3Å
28E96.2Very high98.1Very high19 Ų1921.5 Ų21.59%0.08911%0.112CC..THydrogen-bonded Turntrans-895.4175.8-69-76.1-171.500113.3M1 R2 L3 R24 L25 A26M1-E28 CarbonylContact C-O 3.34Å; M1-E28 WeakPolarHBondContact CA-O 3.45Å; M1-E28 VanDerWaalsContact CA-OE2 3.29Å; M1-E28 WeakPolarHBondContact CA-OE2 3.34Å; M1-E28 VanDerWaalsContact CB-O 3.26Å; M1-E28 WeakPolarHBondContact CB-O 3.46Å; R2-E28 IonicContact CZ-OE1 3.35Å; R2-E28 PolarHBondContact N-O 3Å; R2-E28 PolarHBondContact N-OE2 2.92Å; R2-E28 IonicContact NE-OE1 3.12Å; R2-E28 PolarHBondContact NE-OE1 3.43Å; R2-E28 VanDerWaalsContact NE-OE1 3.12Å; R2-E28 IonicContact NE-OE2 3.43Å; R2-E28 PolarHBondContact NE-OE2 3.14Å; R2-E28 IonicContact NH2-OE1 2.73Å; R2-E28 PolarHBondContact NH2-OE1 2.74Å; L3-E28 CarbonylContact C-O 3.54Å; L3-E28 WeakPolarHBondContact CA-O 3.4Å; L3-E28 HydrophobicContact CB-CB 4.05Å; L3-E28 HydrophobicContact CD1-CB 3.93Å; L3-E28 HydrophobicContact CG-CB 3.96Å; L3-E28 PolarHBondContact N-O 3.45Å; R24-E28 IonicContact CZ-OE1 3.62Å; R24-E28 IonicContact NE-OE1 3.46Å; R24-E28 PolarHBondContact NE-OE1 3.1Å; R24-E28 IonicContact NH2-OE1 2.66Å; R24-E28 PolarHBondContact NH2-OE1 2.86Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.38Å; L25-E28 PolarHBondContact O-N 3.45Å; A26-E28 PolarHBondContact O-N 3.08Å; A26-E28 VanDerWaalsContact O-N 3.14Å
29G95.6Very high98Very high4 Ų425.4 Ų25.44%0.04113%0.13CC..THydrogen-bonded Turntrans94.511.5174.100000115.4L3 A26 S27L3-G29 CarbonylContact O-C 3.46Å; A26-G29 PolarHBondContact O-N 3Å; S27-G29 VanDerWaalsContact C-N 3.3Å
30A96.9Very high98Very high0 Ų029.1 Ų29.10%015%0.154CC..  trans-85.9145.6-176.500000112.8L3 R6 T8 L25 Q56 H58L3-A30 HydrophobicContact CB-CB 3.72Å; L3-A30 HydrophobicContact CD1-CB 4.3Å; L3-A30 WeakPolarHBondContact O-CA 3.49Å; R6-A30 HydrophobicContact CB-CB 4.45Å; R6-A30 WeakPolarHBondContact O-CA 3.22Å; T8-A30 HydrophobicContact CG2-CB 3.56Å; L25-A30 HydrophobicContact CB-CB 4.39Å; L25-A30 WeakPolarHBondContact O-CB 3.29Å; L25-A30 PolarHBondContact O-N 2.9Å; L25-A30 VanDerWaalsContact O-N 3.15Å; A30-Q56 PolarHBondContact O-NE2 2.89Å; A30-H58 PolarHBondContact O-CE1 3.3Å
31S97.9Very high98Very high15 Ų1530.3 Ų30.311%0.10516%0.161CC..EExtended strand (participates in β ladder)trans-77.5124.3163.8-73.60000108.8R6 T8 S57R6-S31 PolarHBondContact O-N 2.84Å; T8-S31 PolarHBondContact N-O 2.99Å; T8-S31 PolarHBondContact OG1-O 3.14Å; S31-S57 WeakPolarHBondContact CB-O 3.21Å; S31-S57 PolarHBondContact OG-N 3.18Å
32V98.6Very high98Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-114.3121.3-170.6-172.20000111.2V10 L25 A26 V34 L49 H58 M59V10-V32 HydrophobicContact CG2-CG1 4.19Å; L25-V32 HydrophobicContact CB-CG2 4.13Å; A26-V32 HydrophobicContact CB-CG2 3.94Å; V32-V34 HydrophobicContact CG1-CG2 3.92Å; V32-L49 HydrophobicContact CB-CD1 3.97Å; V32-L49 HydrophobicContact CG1-CD1 4.33Å; V32-L49 HydrophobicContact CG2-CD1 4.49Å; V32-H58 WeakPolarHBondContact CB-ND1 3.27Å; V32-H58 PolarHBondContact N-ND1 2.87Å; V32-H58 VanDerWaalsContact N-ND1 3.15Å; V32-H58 CarbonylContact O-C 3.55Å; V32-H58 VanDerWaalsContact O-CA 3.22Å; V32-H58 WeakPolarHBondContact O-CA 3.46Å; V32-H58 WeakPolarHBondContact O-CB 3.37Å; V32-M59 PolarHBondContact O-N 2.8Å
33V98.8Very high97.9Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-89.2108.3163.3-1760000107.8L7 T8 L9 V10 M59 L74 I78 Y82L7-V33 HydrophobicContact CD1-CG2 4.04Å; T8-V33 PolarHBondContact O-N 2.92Å; L9-V33 HydrophobicContact CD1-CB 4.08Å; L9-V33 HydrophobicContact CD1-CG1 3.86Å; V10-V33 PolarHBondContact N-O 3.09Å; V33-M59 CarbonylContact C-O 3.49Å; V33-M59 VanDerWaalsContact CA-O 3.29Å; V33-M59 WeakPolarHBondContact CA-O 3.48Å; V33-M59 HydrophobicContact CB-CE 4.33Å; V33-M59 HydrophobicContact CG1-CE 3.48Å; V33-M59 VanDerWaalsContact CG1-CE 3.48Å; V33-M59 HydrophobicContact CG2-CB 4.47Å; V33-M59 HydrophobicContact CG2-CE 3.91Å; V33-L74 HydrophobicContact CG1-CD1 4.47Å; V33-I78 HydrophobicContact CB-CD1 4.41Å; V33-I78 HydrophobicContact CG1-CD1 3.98Å; V33-I78 HydrophobicContact CG1-CG1 4.06Å; V33-I78 HydrophobicContact CG2-CD1 4.33Å; V33-I78 HydrophobicContact CG2-CG1 4.12Å; V33-I78 HydrophobicContact CG2-CG2 4.41Å; V33-Y82 HydrophobicContact CG2-CE2 3.84Å
34V98.9Very high97.9Very high0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-89.9110.1174.6-173.70000107.3G13 V32 A42 T45 V46 L49 M59 A60 A61G13-V34 VanDerWaalsContact C-CG1 3.45Å; G13-V34 WeakPolarHBondContact O-CG1 3.2Å; V32-V34 HydrophobicContact CG1-CG2 3.92Å; V34-A42 HydrophobicContact CG1-CB 4.09Å; V34-T45 HydrophobicContact CG1-CG2 3.91Å; V34-T45 HydrophobicContact CG2-CG2 4.1Å; V34-V46 HydrophobicContact CB-CG2 3.82Å; V34-V46 HydrophobicContact CG2-CG2 3.56Å; V34-L49 HydrophobicContact CG2-CD1 3.88Å; V34-M59 PolarHBondContact N-O 3.1Å; V34-A60 CarbonylContact O-C 3.6Å; V34-A60 WeakPolarHBondContact O-CA 3.31Å; V34-A61 PolarHBondContact O-N 3.3Å
35A98.8Very high97.9Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-114.2130.4-178.800000110.5L9 V10 T11 G12 G13 A61 V63 L74L9-A35 HydrophobicContact CD1-CB 3.71Å; V10-A35 PolarHBondContact O-N 3.41Å; T11-A35 CarbonylContact C-O 3.54Å; T11-A35 VanDerWaalsContact CA-O 3.29Å; T11-A35 WeakPolarHBondContact CA-O 3.49Å; G12-A35 PolarHBondContact N-O 2.81Å; G13-A35 PolarHBondContact N-O 3.3Å; A35-A61 VanDerWaalsContact CA-O 3.25Å; A35-A61 WeakPolarHBondContact CA-O 3.36Å; A35-V63 HydrophobicContact CB-CB 4.48Å; A35-V63 HydrophobicContact CB-CG1 3.59Å; A35-L74 HydrophobicContact CB-CD1 4.37Å; A35-L74 HydrophobicContact CB-CD2 3.94Å
36D98.8Very high97.9Very high18 Ų1833 Ų3310%0.09618%0.182CC..EExtended strand (participates in β ladder)trans-149161.5-178.7-156.5-76.4000110.3G12 G14 S38 A42 A61 A62 V63G12-D36 VanDerWaalsContact C-OD2 3.22Å; G12-D36 WeakPolarHBondContact CA-OD2 3.47Å; G14-D36 WeakPolarHBondContact CA-OD2 3.32Å; G14-D36 PolarHBondContact N-OD2 3.33Å; D36-S38 PolarHBondContact O-N 3.14Å; D36-S38 PolarHBondContact OD1-N 3.35Å; D36-A42 HydrophobicContact CB-CB 4.09Å; D36-A61 PolarHBondContact N-O 3.15Å; D36-A61 VanDerWaalsContact N-O 3.07Å; D36-A62 CarbonylContact O-C 3.55Å; D36-A62 VanDerWaalsContact O-CA 3.25Å; D36-A62 WeakPolarHBondContact O-CA 3.14Å; D36-V63 CarbonylContact C-O 3.3Å; D36-V63 PolarHBondContact O-N 2.92Å
37I98.3Very high97.9Very high115 Ų11536.3 Ų36.359%0.5922%0.216SC*.SBendtrans-68.3-28.7173.3-163.1163.1000111V63I37-V63 WeakPolarHBondContact CA-O 3.48Å; I37-V63 PolarHBondContact N-O 3.33Å
38S98.1Very high97.9Very high40 Ų4040.5 Ų40.528%0.2823%0.226SC..  trans-94.5108.1171173.50000110.4D36 D40 S41 A42D36-S38 PolarHBondContact O-N 3.14Å; D36-S38 PolarHBondContact OD1-N 3.35Å; S38-D40 PolarHBondContact O-N 3.25Å; S38-S41 WeakPolarHBondContact CB-OG 3.33Å; S38-S41 PolarHBondContact O-N 3.1Å; S38-S41 PolarHBondContact OG-N 3.05Å; S38-S41 PolarHBondContact OG-OG 2.87Å; S38-A42 PolarHBondContact O-N 3.31Å; S38-A42 VanDerWaalsContact O-N 3.11Å
39E97Very high97.9Very high84 Ų8440.3 Ų40.339%0.39323%0.225SC..Hα-helixtrans-60.8-36175.8-166158.2-14600111.8A42 N43 A62E39-A42 PolarHBondContact O-N 3.39Å; E39-N43 WeakPolarHBondContact O-CB 3.37Å; E39-N43 PolarHBondContact O-N 2.97Å; E39-N43 PolarHBondContact O-ND2 3.39Å; E39-A62 HydrophobicContact CB-CB 4.05Å; E39-A62 HydrophobicContact CG-CB 4.4Å
40D98.3Very high97.5Very high128 Ų12845.1 Ų45.168%0.68425%0.247SC*.Hα-helixtrans-62.7-44.9176.8-64.9-24.8000111.9S38 A42 N43 E44S38-D40 PolarHBondContact O-N 3.25Å; D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3.1Å; D40-N43 PolarHBondContact O-N 3.32Å; D40-E44 WeakPolarHBondContact O-CB 3.46Å; D40-E44 PolarHBondContact O-N 2.82Å
41S98.2Very high96.9Very high34 Ų3448.3 Ų48.324%0.23827%0.269CS..Hα-helixtrans-64.8-36.2177-58.40000112G14 S38 T45G14-S41 WeakPolarHBondContact CA-O 3.42Å; S38-S41 WeakPolarHBondContact CB-OG 3.33Å; S38-S41 PolarHBondContact O-N 3.1Å; S38-S41 PolarHBondContact OG-N 3.05Å; S38-S41 PolarHBondContact OG-OG 2.87Å; S41-T45 PolarHBondContact O-N 3.27Å; S41-T45 VanDerWaalsContact O-N 3.1Å; S41-T45 PolarHBondContact O-OG1 2.77Å
42A98.6Very high96.1Very high0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-66.2-43.8173.700000111.6V34 D36 S38 E39 D40 T45 V46 A60V34-A42 HydrophobicContact CG1-CB 4.09Å; D36-A42 HydrophobicContact CB-CB 4.09Å; S38-A42 PolarHBondContact O-N 3.31Å; S38-A42 VanDerWaalsContact O-N 3.11Å; E39-A42 PolarHBondContact O-N 3.39Å; D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3.1Å; A42-T45 PolarHBondContact O-N 3.48Å; A42-V46 WeakPolarHBondContact O-CG2 3.34Å; A42-V46 PolarHBondContact O-N 3.34Å; A42-A60 HydrophobicContact CB-CB 3.92Å
43N98.4Very high95.5Very high84 Ų8456 Ų5645%0.44931%0.309SS..Hα-helixtrans-62.9-44.7175.7-80.9-53.2000112.3E39 D40 T45 V46 G47 A60E39-N43 WeakPolarHBondContact O-CB 3.37Å; E39-N43 PolarHBondContact O-N 2.97Å; E39-N43 PolarHBondContact O-ND2 3.39Å; D40-N43 PolarHBondContact O-N 3.32Å; N43-T45 VanDerWaalsContact C-N 3.26Å; N43-T45 PolarHBondContact O-N 3.14Å; N43-V46 PolarHBondContact O-N 2.84Å; N43-G47 PolarHBondContact O-N 3.46Å; N43-A60 HydrophobicContact CB-CB 4.36Å; N43-A60 WeakPolarHBondContact OD1-CB 3.25Å
44E98.3Very high94.5Very high81 Ų8166.5 Ų66.538%0.37936%0.355SS..Hα-helixtrans-55.9-44.2174.9-174.8-162.3175.200110.8R19 D40 G47 R48R19-E44 IonicContact CZ-OE2 2.98Å; R19-E44 IonicContact NH1-OE1 3.1Å; R19-E44 IonicContact NH2-OE1 3.18Å; R19-E44 IonicContact NH2-OE2 2.63Å; R19-E44 PolarHBondContact NH2-OE2 3.21Å; D40-E44 WeakPolarHBondContact O-CB 3.46Å; D40-E44 PolarHBondContact O-N 2.82Å; E44-G47 PolarHBondContact O-N 3.43Å; E44-R48 WeakPolarHBondContact O-CG 3.49Å; E44-R48 PolarHBondContact O-N 3.41Å; E44-R48 IonicContact OE1-CZ 2.58Å; E44-R48 IonicContact OE1-NH1 2.76Å; E44-R48 PolarHBondContact OE1-NH1 3.15Å; E44-R48 IonicContact OE1-NH2 2.8Å; E44-R48 PolarHBondContact OE1-NH2 2.94Å
45T98.5Very high93.5Very high0 Ų070 Ų700%039%0.391CS..Hα-helixtrans-66.4-45.4177.9-62.80000111.5G13 G14 R19 V34 S41 A42 N43 G47 R48 L49G13-T45 WeakPolarHBondContact O-CG2 3.47Å; G13-T45 PolarHBondContact O-OG1 3.1Å; G14-T45 PolarHBondContact O-OG1 2.89Å; G14-T45 VanDerWaalsContact O-OG1 3.14Å; R19-T45 HydrophobicContact CB-CG2 4.3Å; R19-T45 HydrophobicContact CG-CG2 3.81Å; R19-T45 PolarHBondContact NE-OG1 2.76Å; R19-T45 VanDerWaalsContact NE-OG1 3.15Å; V34-T45 HydrophobicContact CG1-CG2 3.91Å; V34-T45 HydrophobicContact CG2-CG2 4.1Å; S41-T45 PolarHBondContact O-N 3.27Å; S41-T45 VanDerWaalsContact O-N 3.1Å; S41-T45 PolarHBondContact O-OG1 2.77Å; A42-T45 PolarHBondContact O-N 3.48Å; N43-T45 VanDerWaalsContact C-N 3.26Å; N43-T45 PolarHBondContact O-N 3.14Å; T45-G47 VanDerWaalsContact C-N 3.29Å; T45-G47 PolarHBondContact O-N 3.31Å; T45-R48 WeakPolarHBondContact O-CB 3.4Å; T45-R48 PolarHBondContact O-N 3.38Å; T45-L49 HydrophobicContact CG2-CD2 4.33Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.11Å
46V98.3Very high93.1Very high33 Ų3371.2 Ų71.220%0.240%0.397CS..Hα-helixtrans-57.9-41.7176.3167.60000111.8V34 A42 N43 R48 L49 H58 A60V34-V46 HydrophobicContact CB-CG2 3.82Å; V34-V46 HydrophobicContact CG2-CG2 3.56Å; A42-V46 WeakPolarHBondContact O-CG2 3.34Å; A42-V46 PolarHBondContact O-N 3.34Å; N43-V46 PolarHBondContact O-N 2.84Å; V46-R48 PolarHBondContact O-N 3.22Å; V46-R48 VanDerWaalsContact O-N 3.1Å; V46-L49 HydrophobicContact CG2-CD1 4.43Å; V46-L49 PolarHBondContact O-N 2.95Å; V46-L49 VanDerWaalsContact O-N 3.08Å; V46-H58 HydrophobicContact CG1-CB 3.92Å; V46-H58 HydrophobicContact CG2-CB 4.45Å; V46-A60 HydrophobicContact CB-CB 4.48Å; V46-A60 HydrophobicContact CG2-CB 3.89Å
47G97.2Very high92.9Very high71 Ų7172 Ų7273%0.73240%0.403SS*.THydrogen-bonded Turntrans-62.8-14.4176.300000114.5N43 E44 T45N43-G47 PolarHBondContact O-N 3.46Å; E44-G47 PolarHBondContact O-N 3.43Å; T45-G47 VanDerWaalsContact C-N 3.29Å; T45-G47 PolarHBondContact O-N 3.31Å
48R95.8Very high92.9Very high124 Ų12467.9 Ų67.947%0.46838%0.382SS..THydrogen-bonded Turntrans-102-3.5176.8-67.1174.6173.6153.14.5113.9E44 T45 V46E44-R48 WeakPolarHBondContact O-CG 3.49Å; E44-R48 PolarHBondContact O-N 3.41Å; E44-R48 IonicContact OE1-CZ 2.58Å; E44-R48 IonicContact OE1-NH1 2.76Å; E44-R48 PolarHBondContact OE1-NH1 3.15Å; E44-R48 IonicContact OE1-NH2 2.8Å; E44-R48 PolarHBondContact OE1-NH2 2.94Å; T45-R48 WeakPolarHBondContact O-CB 3.4Å; T45-R48 PolarHBondContact O-N 3.38Å; V46-R48 PolarHBondContact O-N 3.22Å; V46-R48 VanDerWaalsContact O-N 3.1Å
49L96.9Very high92.9Very high15 Ų1567.3 Ų67.38%0.07938%0.375CS..SBendtrans-78.3135.4-178.9-59-175.9000110.6Q23 A26 V32 V34 T45 V46 H58Q23-L49 HydrophobicContact CB-CD2 4.32Å; Q23-L49 HydrophobicContact CG-CD2 3.8Å; A26-L49 HydrophobicContact CB-CB 4.06Å; A26-L49 HydrophobicContact CB-CD1 4.44Å; A26-L49 HydrophobicContact CB-CD2 4.16Å; A26-L49 HydrophobicContact CB-CG 4.44Å; V32-L49 HydrophobicContact CB-CD1 3.97Å; V32-L49 HydrophobicContact CG1-CD1 4.33Å; V32-L49 HydrophobicContact CG2-CD1 4.49Å; V34-L49 HydrophobicContact CG2-CD1 3.88Å; T45-L49 HydrophobicContact CG2-CD2 4.33Å; T45-L49 WeakPolarHBondContact O-CG 3.31Å; T45-L49 PolarHBondContact O-N 3.11Å; V46-L49 HydrophobicContact CG2-CD1 4.43Å; V46-L49 PolarHBondContact O-N 2.95Å; V46-L49 VanDerWaalsContact O-N 3.08Å; L49-H58 HydrophobicContact CD1-CB 4Å; L49-H58 WeakPolarHBondContact CD1-ND1 3.43Å
50Q87.7Confident93Very high105 Ų10563.9 Ų63.949%0.49136%0.361SS..  trans-64.8137169.7-71175.2-23.800109.9Q56 H58Q50-Q56 PolarHBondContact O-OE1 3.2Å; Q50-H58 PolarHBondContact O-NE2 3.25Å; Q50-H58 VanDerWaalsContact O-NE2 3.08Å
51S83.9Confident93Very high68 Ų6857.8 Ų57.848%0.47633%0.328SS..  trans-132.747.6-178.9-64.90000110.4L53 H58S51-L53 VanDerWaalsContact C-N 3.28Å; S51-L53 PolarHBondContact O-N 3.16Å; S51-H58 PolarHBondContact OG-CD2 2.79Å; S51-H58 PolarHBondContact OG-NE2 2.74Å
52D81.2Confident93Very high122 Ų12258 Ų5865%0.65233%0.332SS*.  trans-80.9-12-169.3-57.6-30.1000112.6
53L84.7Confident93Very high55 Ų5558.2 Ų58.229%0.28833%0.334SS..SBendtrans-100.9134.4-179.4-64-174.2000112.7M1 I4 S51 G55 Q56M1-L53 HydrophobicContact CE-CD2 4.38Å; M1-L53 HydrophobicContact CE-CG 4.44Å; M1-L53 HydrophobicContact SD-CD1 3.59Å; M1-L53 VanDerWaalsContact SD-CD1 3.59Å; M1-L53 HydrophobicContact SD-CD2 3.88Å; M1-L53 HydrophobicContact SD-CG 3.89Å; I4-L53 HydrophobicContact CG1-CD1 4.15Å; S51-L53 VanDerWaalsContact C-N 3.28Å; S51-L53 PolarHBondContact O-N 3.16Å; L53-G55 PolarHBondContact O-N 3.21Å; L53-Q56 HydrophobicContact CB-CB 4.24Å; L53-Q56 WeakPolarHBondContact O-CB 3.29Å; L53-Q56 PolarHBondContact O-N 3.15Å; L53-Q56 VanDerWaalsContact O-N 3.14Å
54K78.8Confident93Very high219 Ų21956.5 Ų56.595%0.95232%0.324SS*.THydrogen-bonded Turntrans-58.3125.4169-75.9-175.4176.7-179.90110.3
55G77.1Confident93Very high74 Ų7453 Ų5376%0.76331%0.309SS*.THydrogen-bonded Turntrans92-5.4178.900000114.8L53L53-G55 PolarHBondContact O-N 3.21Å
56Q91.4Very high93Very high26 Ų2653.5 Ų53.512%0.12131%0.312CS..  trans-71.2130167.6-167.117225.100109.4A26 A30 Q50 L53A26-Q56 PolarHBondContact O-NE2 3.46Å; A30-Q56 PolarHBondContact O-NE2 2.89Å; Q50-Q56 PolarHBondContact O-OE1 3.2Å; L53-Q56 HydrophobicContact CB-CB 4.24Å; L53-Q56 WeakPolarHBondContact O-CB 3.29Å; L53-Q56 PolarHBondContact O-N 3.15Å; L53-Q56 VanDerWaalsContact O-N 3.14Å
57S94.8Very high93.1Very high34 Ų3453.9 Ų53.924%0.23832%0.316CS..  trans-145.3110-175.2175.50000110S31 Y82S31-S57 WeakPolarHBondContact CB-O 3.21Å; S31-S57 PolarHBondContact OG-N 3.18Å; S57-Y82 VanDerWaalsContact O-CE1 3.29Å; S57-Y82 WeakPolarHBondContact O-CE1 3.17Å; S57-Y82 PolarHBondContact O-OH 2.85Å
58H97.9Very high93.1Very high29 Ų2957.6 Ų57.613%0.13431%0.312CS..  trans-90.1154.2179-53.8-67.9000111.5A30 V32 V46 L49 Q50 S51A30-H58 PolarHBondContact O-CE1 3.3Å; V32-H58 WeakPolarHBondContact CB-ND1 3.27Å; V32-H58 PolarHBondContact N-ND1 2.87Å; V32-H58 VanDerWaalsContact N-ND1 3.15Å; V32-H58 CarbonylContact O-C 3.55Å; V32-H58 VanDerWaalsContact O-CA 3.22Å; V32-H58 WeakPolarHBondContact O-CA 3.46Å; V32-H58 WeakPolarHBondContact O-CB 3.37Å; V46-H58 HydrophobicContact CG1-CB 3.92Å; V46-H58 HydrophobicContact CG2-CB 4.45Å; L49-H58 HydrophobicContact CD1-CB 4Å; L49-H58 WeakPolarHBondContact CD1-ND1 3.43Å; Q50-H58 PolarHBondContact O-NE2 3.25Å; Q50-H58 VanDerWaalsContact O-NE2 3.08Å; S51-H58 PolarHBondContact OG-CD2 2.79Å; S51-H58 PolarHBondContact OG-NE2 2.74Å
59M98Very high93.3Very high27 Ų2757.3 Ų57.313%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-141.9132.7177.2176.8177.678.700109.9V32 V33 V34 I78 R81 Y82V32-M59 PolarHBondContact O-N 2.8Å; V33-M59 CarbonylContact C-O 3.49Å; V33-M59 VanDerWaalsContact CA-O 3.29Å; V33-M59 WeakPolarHBondContact CA-O 3.48Å; V33-M59 HydrophobicContact CB-CE 4.33Å; V33-M59 HydrophobicContact CG1-CE 3.48Å; V33-M59 VanDerWaalsContact CG1-CE 3.48Å; V33-M59 HydrophobicContact CG2-CB 4.47Å; V33-M59 HydrophobicContact CG2-CE 3.91Å; V34-M59 PolarHBondContact N-O 3.1Å; M59-I78 HydrophobicContact CE-CB 4.47Å; M59-I78 HydrophobicContact CE-CG1 3.59Å; M59-R81 HydrophobicContact SD-CB 4.4Å; M59-R81 HydrophobicContact SD-CG 4.24Å; M59-Y82 HydrophobicContact CB-CE2 4.15Å; M59-Y82 WeakPolarHBondContact CB-OH 3.47Å; M59-Y82 HydrophobicContact CE-CE2 4.14Å; M59-Y82 PolarHBondContact N-OH 2.69Å; M59-Y82 HydrophobicContact SD-CE2 4.15Å
60A98.6Very high93.4Very high12 Ų1258 Ų5810%0.09932%0.322CS..EExtended strand (participates in β ladder)trans-88.6145.7166.200000109.4V34 A42 N43 V46V34-A60 CarbonylContact O-C 3.6Å; V34-A60 WeakPolarHBondContact O-CA 3.31Å; A42-A60 HydrophobicContact CB-CB 3.92Å; N43-A60 HydrophobicContact CB-CB 4.36Å; N43-A60 WeakPolarHBondContact OD1-CB 3.25Å; V46-A60 HydrophobicContact CB-CB 4.48Å; V46-A60 HydrophobicContact CG2-CB 3.89Å
61A98.4Very high93.9Very high0 Ų053.1 Ų53.10%030%0.3CS..EExtended strand (participates in β ladder)trans-149.7134.5174.400000112.4V34 A35 D36 L74V34-A61 PolarHBondContact O-N 3.3Å; A35-A61 VanDerWaalsContact CA-O 3.25Å; A35-A61 WeakPolarHBondContact CA-O 3.36Å; D36-A61 PolarHBondContact N-O 3.15Å; D36-A61 VanDerWaalsContact N-O 3.07Å; A61-L74 HydrophobicContact CB-CD1 3.49Å; A61-L74 VanDerWaalsContact CB-CD1 3.49Å
62A98.5Very high94.6Very high39 Ų3957 Ų5732%0.32231%0.308SS..EExtended strand (participates in β ladder)trans-67.3132.5164.800000111.1D36 E39D36-A62 CarbonylContact O-C 3.55Å; D36-A62 VanDerWaalsContact O-CA 3.25Å; D36-A62 WeakPolarHBondContact O-CA 3.14Å; E39-A62 HydrophobicContact CB-CB 4.05Å; E39-A62 HydrophobicContact CG-CB 4.4Å
63V98.8Very high95.4Very high5 Ų556.7 Ų56.73%0.0330%0.301CS..  trans-149.5131.7170.568.80000111.7A35 D36 I37 V65 V71 L74A35-V63 HydrophobicContact CB-CB 4.48Å; A35-V63 HydrophobicContact CB-CG1 3.59Å; D36-V63 CarbonylContact C-O 3.3Å; D36-V63 PolarHBondContact O-N 2.92Å; I37-V63 WeakPolarHBondContact CA-O 3.48Å; I37-V63 PolarHBondContact N-O 3.33Å; V63-V65 HydrophobicContact CG1-CG1 4.19Å; V63-V71 HydrophobicContact CG2-CG2 4.28Å; V63-L74 HydrophobicContact CB-CD2 3.96Å; V63-L74 HydrophobicContact CG1-CD2 4.14Å; V63-L74 HydrophobicContact CG2-CB 4.23Å; V63-L74 HydrophobicContact CG2-CD2 3.82Å
64D98.8Very high96.1Very high47 Ų4754.3 Ų54.325%0.25129%0.288SS..  trans-95.2104.5160.7179.4-3.5000108S66 S67 S70D64-S66 VanDerWaalsContact CG-OG 3.25Å; D64-S66 PolarHBondContact O-N 3.35Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.04Å; D64-S66 PolarHBondContact OD1-OG 3.1Å; D64-S66 PolarHBondContact OD2-OG 3.3Å; D64-S67 PolarHBondContact O-N 2.81Å; D64-S70 PolarHBondContact N-OG 3.14Å; D64-S70 WeakPolarHBondContact O-CB 3.43Å
65V98.8Very high97Very high9 Ų944.3 Ų44.36%0.05525%0.245CC..THydrogen-bonded Turntrans-62.5-23.8-178-62.70000112.6T11 V63 S67 A93 V115 G119 V123T11-V65 HydrophobicContact CG2-CG1 4.16Å; V63-V65 HydrophobicContact CG1-CG1 4.19Å; V65-S67 PolarHBondContact O-N 3.41Å; V65-A93 HydrophobicContact CG1-CB 3.96Å; V65-A93 HydrophobicContact CG2-CB 3.91Å; V65-V115 HydrophobicContact CG2-CG1 4.09Å; V65-G119 WeakPolarHBondContact O-CA 3.45Å; V65-V123 HydrophobicContact CB-CG2 4.21Å; V65-V123 HydrophobicContact CG1-CG2 3.98Å
66S98.6Very high98Very high10 Ų1044.2 Ų44.27%0.0723%0.23CC..THydrogen-bonded Turntrans-74.6-12.8178.474.40000113.3D64 R111 Q114D64-S66 VanDerWaalsContact CG-OG 3.25Å; D64-S66 PolarHBondContact O-N 3.35Å; D64-S66 WeakPolarHBondContact OD1-CB 3.33Å; D64-S66 PolarHBondContact OD1-N 3.04Å; D64-S66 PolarHBondContact OD1-OG 3.1Å; D64-S66 PolarHBondContact OD2-OG 3.3Å; S66-R111 PolarHBondContact OG-NH1 3.46Å; S66-Q114 WeakPolarHBondContact CB-O 3.32Å
67S98.8Very high98.4Very high41 Ų4148.6 Ų48.629%0.28725%0.245SC..  trans-103.7115-179.7174.30000112.1D64 V65 E69 S70 V71D64-S67 PolarHBondContact O-N 2.81Å; V65-S67 PolarHBondContact O-N 3.41Å; S67-E69 PolarHBondContact O-N 3.18Å; S67-S70 WeakPolarHBondContact O-CB 3.29Å; S67-S70 PolarHBondContact O-N 3.23Å; S67-S70 VanDerWaalsContact O-N 3.13Å; S67-S70 PolarHBondContact OG-N 2.86Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 3.42Å
68K98.6Very high98.5Very high148 Ų14847 Ų4764%0.64323%0.234SC*.Hα-helixtrans-56.6-38.6176.3-178.4176.7-179.1177.70112.3K72 L122K68-K72 WeakPolarHBondContact O-CB 3.5Å; K68-K72 PolarHBondContact O-N 3.11Å; K68-L122 HydrophobicContact CB-CD1 4.25Å; K68-L122 HydrophobicContact CB-CD2 3.95Å; K68-L122 HydrophobicContact CD-CD2 4.47Å; K68-L122 HydrophobicContact CG-CD2 4.11Å
69E98.7Very high98.5Very high119 Ų11949.1 Ų49.156%0.55624%0.244SC*.Hα-helixtrans-68.4-42.2178.8-169-172.3160.600111.4S67 K72 K73S67-E69 PolarHBondContact O-N 3.18Å; E69-K72 PolarHBondContact O-N 3.29Å; E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å; E69-K73 PolarHBondContact O-N 3.18Å; E69-K73 WeakPolarHBondContact OE1-CE 3.2Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å
70S98.8Very high98.4Very high29 Ų2952.5 Ų52.520%0.20327%0.266CS..Hα-helixtrans-61-47.7176.6-1690000111.3D64 S67 K72 K73 L74D64-S70 PolarHBondContact N-OG 3.14Å; D64-S70 WeakPolarHBondContact O-CB 3.43Å; S67-S70 WeakPolarHBondContact O-CB 3.29Å; S67-S70 PolarHBondContact O-N 3.23Å; S67-S70 VanDerWaalsContact O-N 3.13Å; S67-S70 PolarHBondContact OG-N 2.86Å; S70-K72 PolarHBondContact O-N 3.26Å; S70-K73 PolarHBondContact O-N 2.92Å; S70-L74 PolarHBondContact O-N 3.02Å
71V98.9Very high98.4Very high3 Ų358.8 Ų58.82%0.01829%0.288CS..Hα-helixtrans-60.5-42.7175.9174.80000111.6V63 S67 L74 L75 L122 V123 A126V63-V71 HydrophobicContact CG2-CG2 4.28Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 3.42Å; V71-L74 WeakPolarHBondContact O-CB 3.36Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L75 HydrophobicContact CG1-CD2 4.17Å; V71-L75 WeakPolarHBondContact O-CD2 3.48Å; V71-L75 PolarHBondContact O-N 3.01Å; V71-L122 HydrophobicContact CG2-CB 4.3Å; V71-V123 HydrophobicContact CG1-CG2 4.1Å; V71-V123 HydrophobicContact CG2-CG2 3.81Å; V71-A126 HydrophobicContact CG1-CB 3.73Å
72K98.6Very high98.3Very high148 Ų14860.2 Ų60.264%0.64329%0.293SS*.Hα-helixtrans-60.8-46.9176.2-175.4-178.8178.2-175.70111.4K68 E69 S70 L74 L75 T76K68-K72 WeakPolarHBondContact O-CB 3.5Å; K68-K72 PolarHBondContact O-N 3.11Å; E69-K72 PolarHBondContact O-N 3.29Å; S70-K72 PolarHBondContact O-N 3.26Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 2.88Å; K72-L75 PolarHBondContact O-N 2.96Å; K72-T76 PolarHBondContact O-N 3.5Å; K72-T76 PolarHBondContact O-OG1 2.66Å
73K98.6Very high98.1Very high117 Ų11767.2 Ų67.251%0.50932%0.317SS..Hα-helixtrans-59.8-42.1177.1-74.6175.2-178169.30111.5E69 S70 T76 R77E69-K73 HydrophobicContact CG-CD 4.45Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å; E69-K73 PolarHBondContact O-N 3.18Å; E69-K73 WeakPolarHBondContact OE1-CE 3.2Å; E69-K73 IonicContact OE1-NZ 3.56Å; E69-K73 PolarHBondContact OE1-NZ 3.38Å; S70-K73 PolarHBondContact O-N 2.92Å; K73-T76 PolarHBondContact O-N 2.95Å; K73-R77 WeakPolarHBondContact O-CG 3.38Å; K73-R77 PolarHBondContact O-N 3.35Å
74L98.7Very high97.9Very high4 Ų471.4 Ų71.42%0.02134%0.336CS..Hα-helixtrans-57.7-52.8174.8173.464.9000111.3L9 V33 A35 A61 V63 S70 V71 K72 T76 R77 I78L9-L74 HydrophobicContact CD1-CD2 4.02Å; L9-L74 HydrophobicContact CD2-CD2 4.2Å; V33-L74 HydrophobicContact CG1-CD1 4.47Å; A35-L74 HydrophobicContact CB-CD1 4.37Å; A35-L74 HydrophobicContact CB-CD2 3.94Å; A61-L74 HydrophobicContact CB-CD1 3.49Å; A61-L74 VanDerWaalsContact CB-CD1 3.49Å; V63-L74 HydrophobicContact CB-CD2 3.96Å; V63-L74 HydrophobicContact CG1-CD2 4.14Å; V63-L74 HydrophobicContact CG2-CB 4.23Å; V63-L74 HydrophobicContact CG2-CD2 3.82Å; S70-L74 PolarHBondContact O-N 3.02Å; V71-L74 WeakPolarHBondContact O-CB 3.36Å; V71-L74 PolarHBondContact O-N 3.47Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 2.88Å; L74-T76 VanDerWaalsContact C-N 3.32Å; L74-T76 PolarHBondContact O-N 3.26Å; L74-R77 PolarHBondContact O-N 2.96Å; L74-R77 VanDerWaalsContact O-N 3.15Å; L74-I78 HydrophobicContact CD1-CD1 3.96Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.89Å; L74-I78 WeakPolarHBondContact O-CG1 3.26Å; L74-I78 PolarHBondContact O-N 3.46Å
75L98.3Very high97.8Very high9 Ų969.6 Ų69.65%0.04733%0.327CS..Hα-helixtrans-61.4-40.4-178.9-94.4-60.3000112.2V71 K72 I78 Q79 P86 A126 V127 A130V71-L75 HydrophobicContact CG1-CD2 4.17Å; V71-L75 WeakPolarHBondContact O-CD2 3.48Å; V71-L75 PolarHBondContact O-N 3.01Å; K72-L75 PolarHBondContact O-N 2.96Å; L75-I78 PolarHBondContact O-N 3.06Å; L75-Q79 WeakPolarHBondContact O-CG 3.45Å; L75-Q79 PolarHBondContact O-N 2.86Å; L75-P86 HydrophobicContact CD1-CG 4.3Å; L75-A126 HydrophobicContact CD2-CB 4.05Å; L75-A126 HydrophobicContact CG-CB 4.1Å; L75-V127 HydrophobicContact CD1-CG2 4.16Å; L75-V127 HydrophobicContact CD2-CG2 4.34Å; L75-A130 HydrophobicContact CD1-CB 4.5Å
76T98.3Very high97.7Very high73 Ų7369.2 Ų69.245%0.44832%0.324SS..Hα-helixtrans-59.7-48173.3-610000111.3K72 K73 L74 I78 Q79 T80K72-T76 PolarHBondContact O-N 3.5Å; K72-T76 PolarHBondContact O-OG1 2.66Å; K73-T76 PolarHBondContact O-N 2.95Å; L74-T76 VanDerWaalsContact C-N 3.32Å; L74-T76 PolarHBondContact O-N 3.26Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.14Å; T76-Q79 PolarHBondContact O-N 3.18Å; T76-T80 WeakPolarHBondContact O-CB 3.45Å; T76-T80 PolarHBondContact O-N 3.23Å; T76-T80 PolarHBondContact O-OG1 2.73Å
77R98.3Very high97.6Very high118 Ų11869.7 Ų69.745%0.44533%0.328SS..Hα-helixtrans-58.2-43.5177.1-74175.372.6-175.33.6112K73 L74 T80 R81K73-R77 WeakPolarHBondContact O-CG 3.38Å; K73-R77 PolarHBondContact O-N 3.35Å; L74-R77 PolarHBondContact O-N 2.96Å; L74-R77 VanDerWaalsContact O-N 3.15Å; R77-T80 PolarHBondContact O-N 2.79Å; R77-R81 VanDerWaalsContact O-CB 3.32Å; R77-R81 WeakPolarHBondContact O-CB 3.25Å; R77-R81 PolarHBondContact O-N 2.93Å
78I98.3Very high97.6Very high0 Ų067.7 Ų67.70%031%0.314CS..Hα-helixtrans-60.4-51.6177.2-65.1168.6000110.2L7 L9 V33 M59 L74 L75 T76 T80 R81 Y82L7-I78 HydrophobicContact CD2-CG2 3.78Å; L9-I78 HydrophobicContact CD1-CD1 4.14Å; L9-I78 HydrophobicContact CD2-CD1 4.22Å; V33-I78 HydrophobicContact CB-CD1 4.41Å; V33-I78 HydrophobicContact CG1-CD1 3.98Å; V33-I78 HydrophobicContact CG1-CG1 4.06Å; V33-I78 HydrophobicContact CG2-CD1 4.33Å; V33-I78 HydrophobicContact CG2-CG1 4.12Å; V33-I78 HydrophobicContact CG2-CG2 4.41Å; M59-I78 HydrophobicContact CE-CB 4.47Å; M59-I78 HydrophobicContact CE-CG1 3.59Å; L74-I78 HydrophobicContact CD1-CD1 3.96Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.89Å; L74-I78 WeakPolarHBondContact O-CG1 3.26Å; L74-I78 PolarHBondContact O-N 3.46Å; L75-I78 PolarHBondContact O-N 3.06Å; T76-I78 VanDerWaalsContact C-N 3.32Å; T76-I78 PolarHBondContact O-N 3.14Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 2.9Å; I78-R81 PolarHBondContact O-N 3.01Å; I78-Y82 HydrophobicContact CG2-CD2 4.04Å; I78-Y82 WeakPolarHBondContact O-CB 3.41Å; I78-Y82 WeakPolarHBondContact O-CD2 3.36Å; I78-Y82 PolarHBondContact O-N 3.4Å
79Q96.6Very high97.6Very high74 Ų7460.7 Ų60.735%0.34628%0.283SS..Hα-helixtrans-64.2-37.7-178.6-72.1176.2-18.700112.6L75 T76 F83L75-Q79 WeakPolarHBondContact O-CG 3.45Å; L75-Q79 PolarHBondContact O-N 2.86Å; T76-Q79 PolarHBondContact O-N 3.18Å; Q79-F83 WeakPolarHBondContact O-CA 3.25Å; Q79-F83 PolarHBondContact O-N 3.13Å
80T97.4Very high97.6Very high98 Ų9855 Ų5560%0.60126%0.257SS*.Hα-helixtrans-65-39.9174.3-59.50000111.9T76 R77 I78T76-T80 WeakPolarHBondContact O-CB 3.45Å; T76-T80 PolarHBondContact O-N 3.23Å; T76-T80 PolarHBondContact O-OG1 2.73Å; R77-T80 PolarHBondContact O-N 2.79Å; I78-T80 VanDerWaalsContact C-N 3.34Å; I78-T80 PolarHBondContact O-N 2.9Å
81R97.4Very high97.6Very high144 Ų14453.8 Ų53.854%0.54325%0.248SC..Hα-helixtrans-75.9-39.6-176.3178.662.1-179.9112.5-4.3113.2M59 R77 I78M59-R81 HydrophobicContact SD-CB 4.4Å; M59-R81 HydrophobicContact SD-CG 4.24Å; R77-R81 VanDerWaalsContact O-CB 3.32Å; R77-R81 WeakPolarHBondContact O-CB 3.25Å; R77-R81 PolarHBondContact O-N 2.93Å; I78-R81 PolarHBondContact O-N 3.01Å
82Y95.9Very high97.6Very high29 Ų2954.6 Ų54.611%0.11425%0.254CS..Hα-helixtrans-111.6-6.9-169.7-65.3-81.4000113.8L7 V33 S57 M59 I78 Q84L7-Y82 HydrophobicContact CD1-CD1 3.86Å; L7-Y82 HydrophobicContact CD1-CD2 4.03Å; L7-Y82 HydrophobicContact CD1-CE1 3.92Å; L7-Y82 HydrophobicContact CD1-CE2 4.11Å; L7-Y82 HydrophobicContact CD1-CG 3.9Å; L7-Y82 HydrophobicContact CD2-CD1 4.44Å; L7-Y82 HydrophobicContact CD2-CD2 4.06Å; L7-Y82 HydrophobicContact CD2-CG 3.81Å; V33-Y82 HydrophobicContact CG2-CE2 3.84Å; S57-Y82 VanDerWaalsContact O-CE1 3.29Å; S57-Y82 WeakPolarHBondContact O-CE1 3.17Å; S57-Y82 PolarHBondContact O-OH 2.85Å; M59-Y82 HydrophobicContact CB-CE2 4.15Å; M59-Y82 WeakPolarHBondContact CB-OH 3.47Å; M59-Y82 HydrophobicContact CE-CE2 4.14Å; M59-Y82 PolarHBondContact N-OH 2.69Å; M59-Y82 HydrophobicContact SD-CE2 4.15Å; I78-Y82 HydrophobicContact CG2-CD2 4.04Å; I78-Y82 WeakPolarHBondContact O-CB 3.41Å; I78-Y82 WeakPolarHBondContact O-CD2 3.36Å; I78-Y82 PolarHBondContact O-N 3.4Å; Y82-Q84 PolarHBondContact O-N 3.05Å; Y82-Q84 VanDerWaalsContact O-N 3.1Å
83F94.9Very high97.5Very high186 Ų18648.3 Ų48.382%0.81623%0.23SC*.SBendtrans58.917.4-177-52.6-81.2000114.4Q79Q79-F83 WeakPolarHBondContact O-CA 3.25Å; Q79-F83 PolarHBondContact O-N 3.13Å
84Q94.6Very high97.4Very high93 Ų9344.2 Ų44.244%0.43522%0.22SC..SBendtrans-154.3152.7177.964.4-173.5-24.200110.5L7 Y82L7-Q84 HydrophobicContact CD2-CG 3.87Å; L7-Q84 WeakPolarHBondContact CD2-O 3.29Å; Y82-Q84 PolarHBondContact O-N 3.05Å; Y82-Q84 VanDerWaalsContact O-N 3.1Å
85P96.3Very high97.3Very high10 Ų1046.5 Ų46.57%0.06523%0.232CC..  trans-73.1161.1169.432.6-35.6000111.8S87 A130 L131 C134P85-S87 PolarHBondContact O-N 3.27Å; P85-A130 HydrophobicContact CB-CB 3.73Å; P85-A130 HydrophobicContact CG-CB 4.47Å; P85-L131 HydrophobicContact CB-CD2 4.48Å; P85-L131 HydrophobicContact CG-CD2 3.97Å; P85-L131 HydrophobicContact CG-CG 4.44Å; P85-C134 HydrophobicContact CG-CB 4.13Å; P85-C134 VanDerWaalsContact CG-SG 3.56Å
86P97.3Very high97.1Very high0 Ų048.1 Ų48.10%024%0.243CC..  trans-67.1124.3173.628.8-32.2000110.2L7 L9 L75 V88 V127L7-P86 HydrophobicContact CG-CB 4.32Å; L7-P86 CarbonylContact O-C 3.54Å; L7-P86 WeakPolarHBondContact O-CA 3.49Å; L9-P86 HydrophobicContact CB-CB 3.84Å; L9-P86 HydrophobicContact CB-CG 3.91Å; L9-P86 HydrophobicContact CD2-CG 4.42Å; L75-P86 HydrophobicContact CD1-CG 4.3Å; P86-V88 VanDerWaalsContact C-N 3.31Å; P86-V127 HydrophobicContact CG-CG1 4.26Å; P86-V127 HydrophobicContact CG-CG2 4.1Å
87S97.3Very high97Very high20 Ų2048.2 Ų48.214%0.1424%0.238CC..SBendtrans-76-20.1175.565.60000113.2R6 L7 P85 G139 S140R6-S87 WeakPolarHBondContact CD-OG 3.46Å; L7-S87 PolarHBondContact O-N 3.19Å; L7-S87 PolarHBondContact O-OG 2.9Å; P85-S87 PolarHBondContact O-N 3.27Å; S87-G139 CarbonylContact O-C 3.5Å; S87-G139 VanDerWaalsContact O-CA 3.27Å; S87-G139 WeakPolarHBondContact O-CA 2.87Å; S87-S140 PolarHBondContact O-N 3.28Å
88V98.4Very high96.8Very high0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-124.5134.5173179.50000108.5L7 T8 L9 P86 V90 S140 I142 A231L7-V88 PolarHBondContact O-N 2.83Å; T8-V88 CarbonylContact C-O 3.56Å; T8-V88 VanDerWaalsContact CA-O 3.25Å; T8-V88 WeakPolarHBondContact CA-O 3.09Å; T8-V88 HydrophobicContact CG2-CB 3.84Å; T8-V88 HydrophobicContact CG2-CG1 4.42Å; T8-V88 HydrophobicContact CG2-CG2 4.27Å; L9-V88 PolarHBondContact N-O 3.32Å; P86-V88 VanDerWaalsContact C-N 3.31Å; V88-V90 HydrophobicContact CG1-CG2 4.37Å; V88-S140 CarbonylContact C-O 3.53Å; V88-S140 VanDerWaalsContact CA-O 3.24Å; V88-S140 WeakPolarHBondContact CA-O 3.46Å; V88-I142 HydrophobicContact CG1-CD1 4.41Å; V88-A231 HydrophobicContact CG1-CB 3.65Å; V88-A231 HydrophobicContact CG2-CB 4.11Å
89C98.7Very high96.6Very high0 Ų048.2 Ų48.20%025%0.247CC..EExtended strand (participates in β ladder)trans-129.7126.8173.3179.40000109.8L9 V127 S140 I141 I142L9-C89 CarbonylContact O-C 3.54Å; L9-C89 WeakPolarHBondContact O-CA 3.38Å; C89-V127 HydrophobicContact CB-CB 4.41Å; C89-V127 HydrophobicContact CB-CG1 3.97Å; C89-V127 HydrophobicContact CB-CG2 4.13Å; C89-S140 PolarHBondContact N-O 3.01Å; C89-I141 HydrophobicContact CB-CG1 4.44Å; C89-I141 CarbonylContact O-C 3.5Å; C89-I141 WeakPolarHBondContact O-CA 2.89Å; C89-I142 PolarHBondContact O-N 2.76Å
90V98.9Very high96.6Very high0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-113.2110.7173.4-171.60000109L9 V10 T11 V21 L25 V88 S92 I142 L144L9-V90 PolarHBondContact O-N 2.73Å; V10-V90 WeakPolarHBondContact CA-O 3.29Å; V10-V90 HydrophobicContact CG1-CB 4.35Å; V10-V90 HydrophobicContact CG2-CB 4.33Å; V10-V90 HydrophobicContact CG2-CG2 4.5Å; T11-V90 PolarHBondContact N-O 3.32Å; V21-V90 HydrophobicContact CG1-CB 4.16Å; V21-V90 HydrophobicContact CG1-CG1 4.08Å; V21-V90 HydrophobicContact CG1-CG2 3.9Å; L25-V90 HydrophobicContact CD1-CG2 4.21Å; V88-V90 HydrophobicContact CG1-CG2 4.37Å; V90-S92 PolarHBondContact O-N 2.94Å; V90-I142 CarbonylContact C-O 3.52Å; V90-I142 VanDerWaalsContact CA-O 3.32Å; V90-I142 WeakPolarHBondContact CA-O 3.45Å; V90-I142 HydrophobicContact CG1-CB 4.42Å; V90-I142 HydrophobicContact CG1-CG2 4.39Å; V90-I142 HydrophobicContact CG2-CB 4.26Å; V90-I142 HydrophobicContact CG2-CD1 4.08Å; V90-L144 HydrophobicContact CG1-CD2 3.37Å
91N98.8Very high96.5Very high3 Ų352.1 Ų52.12%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-84.487175.6-68.8-66.2000109.9T11 V123 T124 I142 T143 L144T11-N91 WeakPolarHBondContact OG1-CA 3.45Å; N91-V123 WeakPolarHBondContact OD1-CB 3.15Å; N91-V123 WeakPolarHBondContact OD1-CG1 3.07Å; N91-T124 PolarHBondContact ND2-OG1 2.87Å; N91-T124 VanDerWaalsContact ND2-OG1 3.11Å; N91-I142 PolarHBondContact N-O 2.81Å; N91-T143 HydrophobicContact CB-CG2 4.21Å; N91-L144 WeakPolarHBondContact O-CB 3.31Å; N91-L144 WeakPolarHBondContact O-CD2 3.47Å; N91-L144 PolarHBondContact O-N 3.26Å
92S98.3Very high96.5Very high20 Ų2053.2 Ų53.214%0.1428%0.276CS..  trans-104.5-9.8-179.8-169.90000113.8T11 G18 V90 G94T11-S92 CarbonylContact O-C 3.56Å; T11-S92 VanDerWaalsContact O-C 3.3Å; T11-S92 VanDerWaalsContact O-CA 3.27Å; T11-S92 WeakPolarHBondContact O-CA 3.25Å; T11-S92 WeakPolarHBondContact O-CB 3.42Å; T11-S92 PolarHBondContact O-N 3.01Å; T11-S92 VanDerWaalsContact O-N 3.07Å; T11-S92 PolarHBondContact OG1-N 2.77Å; G18-S92 PolarHBondContact N-OG 3.12Å; V90-S92 PolarHBondContact O-N 2.94Å; S92-G94 PolarHBondContact O-N 2.91Å
93A97.2Very high96.6Very high17 Ų1756.9 Ų56.914%0.1430%0.297CS..  trans-59.6131.7176.100000110.9T11 V65T11-A93 PolarHBondContact O-N 2.9Å; V65-A93 HydrophobicContact CG1-CB 3.96Å; V65-A93 HydrophobicContact CG2-CB 3.91Å
94G96.4Very high96.7Very high30 Ų3049.4 Ų49.431%0.30927%0.266SS..  trans-173.7157.2175.600000112.2S92 N116S92-G94 PolarHBondContact O-N 2.91Å; G94-N116 WeakPolarHBondContact CA-OD1 3.25Å
95I96.6Very high96.9Very high52 Ų5250.1 Ų50.127%0.26727%0.269SS..  trans-133.1162.4178.959.1167.8000110.4R111 V112 V115 N116 Y159I95-R111 HydrophobicContact CD1-CG 3.76Å; I95-V112 HydrophobicContact CD1-CG2 4.29Å; I95-V112 HydrophobicContact CG1-CG2 4.22Å; I95-V115 HydrophobicContact CD1-CB 4.08Å; I95-V115 HydrophobicContact CD1-CG2 3.88Å; I95-V115 HydrophobicContact CG1-CB 3.98Å; I95-V115 HydrophobicContact CG1-CG1 4.1Å; I95-V115 HydrophobicContact CG1-CG2 4.31Å; I95-V115 HydrophobicContact CG2-CG1 4.34Å; I95-N116 PolarHBondContact N-OD1 2.81Å; I95-N116 PolarHBondContact O-ND2 3.07Å; I95-N116 PolarHBondContact O-OD1 3.03Å; I95-Y159 WeakPolarHBondContact O-CD2 3.42Å
96T93.6Very high97Very high44 Ų4456.2 Ų56.227%0.2730%0.296SS..  trans-122.5144.616948.40000108.6Y159 M196T96-Y159 HydrophobicContact CG2-CD2 3.47Å; T96-Y159 VanDerWaalsContact CG2-CD2 3.47Å; T96-Y159 HydrophobicContact CG2-CE2 3.59Å; T96-Y159 HydrophobicContact CG2-CG 4.02Å; T96-M196 HydrophobicContact CG2-CE 4.29Å; T96-M196 HydrophobicContact CG2-SD 3.87Å
97Q95.1Very high97.1Very high75 Ų7562.6 Ų62.635%0.3533%0.326SS..  trans-144.377.5169.6-71.3-164.9-22.200106.3K108 V112 N158Q97-K108 HydrophobicContact CB-CB 4.07Å; Q97-K108 HydrophobicContact CB-CD 4.46Å; Q97-K108 HydrophobicContact CB-CG 4.32Å; Q97-K108 VanDerWaalsContact OE1-CA 3.22Å; Q97-V112 HydrophobicContact CB-CG2 3.95Å; Q97-V112 HydrophobicContact CG-CG2 4.25Å; Q97-N158 PolarHBondContact O-ND2 3.39Å
98D94.1Very high97.1Very high81 Ų8164.1 Ų64.143%0.43333%0.33SS..  trans-75.6137.7-168-65.6-5.1000110.6G155 Q156D98-G155 CarbonylContact C-O 3.52Å; D98-G155 VanDerWaalsContact CA-O 3.3Å; D98-G155 WeakPolarHBondContact CA-O 3.27Å; D98-G155 WeakPolarHBondContact CB-O 3.11Å; D98-Q156 PolarHBondContact OD1-NE2 3.42Å; D98-Q156 PolarHBondContact OD2-NE2 3.48Å; D98-Q156 VanDerWaalsContact OD2-NE2 3.11Å
99D94.8Very high97.1Very high36 Ų3667.7 Ų67.719%0.19335%0.346CS..BIsolated β-bridgetrans-158.9154.9173.4-144.6-35.5000109.7N103 M104 K108 G155D99-N103 WeakPolarHBondContact OD1-CB 3.24Å; D99-M104 HydrophobicContact CB-CB 4.46Å; D99-M104 HydrophobicContact CB-CE 3.78Å; D99-M104 HydrophobicContact CB-SD 3.96Å; D99-M104 VanDerWaalsContact O-CE 3.24Å; D99-M104 WeakPolarHBondContact O-CE 3.27Å; D99-K108 IonicContact OD2-NZ 3.51Å; D99-K108 PolarHBondContact OD2-NZ 2.92Å; D99-G155 PolarHBondContact N-O 3.41Å; D99-G155 CarbonylContact O-C 3.53Å; D99-G155 VanDerWaalsContact O-C 3.23Å; D99-G155 WeakPolarHBondContact O-CA 3.16Å
100F95.9Very high97.1Very high119 Ų11970.9 Ų70.952%0.52236%0.363SS..  trans-65.5146.2172.8-75.4-76000110.3L102 N103 M104 L154F100-L102 PolarHBondContact O-N 3.39Å; F100-N103 CarbonylContact O-C 3.38Å; F100-N103 PolarHBondContact O-N 2.96Å; F100-M104 PolarHBondContact O-N 3.39Å; F100-L154 HydrophobicContact CD1-CD1 4.28Å; F100-L154 HydrophobicContact CD1-CG 4.36Å; F100-L154 HydrophobicContact CE1-CD1 3.87Å; F100-L154 HydrophobicContact CE1-CD2 3.8Å; F100-L154 HydrophobicContact CE1-CG 3.65Å; F100-L154 HydrophobicContact CZ-CD2 4.31Å; F100-L154 HydrophobicContact CZ-CG 4.49Å
101L96.7Very high97.1Very high135 Ų13574.8 Ų74.871%0.70738%0.378SS*.THydrogen-bonded Turntrans-52.7-37.2-175.3-177.765.6000113.4N103 A157L101-N103 PolarHBondContact O-N 3.19Å; L101-A157 HydrophobicContact CD1-CB 3.95Å
102L97.3Very high97.1Very high167 Ų16774.7 Ų74.787%0.87438%0.377SS*.THydrogen-bonded Turntrans-70.6-19.2-179.8-61.7-179.9000113.9F100F100-L102 PolarHBondContact O-N 3.39Å
103N97.1Very high97.1Very high106 Ų10675.6 Ų75.657%0.56738%0.38SS*.THydrogen-bonded Turntrans-116.4-2.5-176.2-60.6-24.6000112.7D99 F100 L101 E105D99-N103 WeakPolarHBondContact OD1-CB 3.24Å; F100-N103 CarbonylContact O-C 3.38Å; F100-N103 PolarHBondContact O-N 2.96Å; L101-N103 PolarHBondContact O-N 3.19Å; N103-E105 PolarHBondContact O-N 3.47Å
104M98Very high97.2Very high30 Ų3078.4 Ų78.415%0.14839%0.39CS..  trans-63.7109.1-177.3-177.170.766.500109.9D99 F100 K108 F109 N158D99-M104 HydrophobicContact CB-CB 4.46Å; D99-M104 HydrophobicContact CB-CE 3.78Å; D99-M104 HydrophobicContact CB-SD 3.96Å; D99-M104 VanDerWaalsContact O-CE 3.24Å; D99-M104 WeakPolarHBondContact O-CE 3.27Å; F100-M104 PolarHBondContact O-N 3.39Å; M104-K108 HydrophobicContact SD-CB 4.06Å; M104-F109 HydrophobicContact CG-CB 4.26Å; M104-N158 HydrophobicContact CE-CB 4.48Å; M104-N158 PolarHBondContact SD-ND2 2.95Å
105E98.3Very high97.3Very high107 Ų10777.4 Ų77.450%0.538%0.378SS..  trans-63.1139.8171.1-67.2173176.300110.4N103 E107 K108 F109N103-E105 PolarHBondContact O-N 3.47Å; E105-E107 PolarHBondContact O-N 3.44Å; E105-K108 HydrophobicContact CB-CD 4.36Å; E105-K108 HydrophobicContact CB-CG 4.17Å; E105-K108 PolarHBondContact O-N 3.24Å; E105-K108 VanDerWaalsContact O-N 3.15Å; E105-K108 WeakPolarHBondContact OE2-CE 3.44Å; E105-F109 PolarHBondContact O-N 3.14Å; E105-F109 VanDerWaalsContact O-N 3.13Å
106E98.4Very high97.4Very high139 Ų13975 Ų7565%0.6537%0.366SS*.Hα-helixtrans-58.6-40-179.8-176.3176169.400110.8K108 F109 D110E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 2.79Å; E106-F109 WeakPolarHBondContact O-CB 3.47Å; E106-F109 PolarHBondContact O-N 3.36Å; E106-F109 VanDerWaalsContact O-N 3.12Å; E106-D110 WeakPolarHBondContact O-CB 3.41Å; E106-D110 PolarHBondContact O-N 3.47Å
107E98.4Very high97.6Very high133 Ų13375.1 Ų75.162%0.62137%0.365SS*.Hα-helixtrans-61.9-38.6179.4-64.578.4-17500112.1E105 R111E105-E107 PolarHBondContact O-N 3.44Å; E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 2.98Å
108K98.2Very high97.8Very high53 Ų5376.1 Ų76.123%0.2337%0.368CS..Hα-helixtrans-67.7-41.7175.5-67-177.9-171.5174.30111.2Q97 D99 M104 E105 E106 V112 N158Q97-K108 HydrophobicContact CB-CB 4.07Å; Q97-K108 HydrophobicContact CB-CD 4.46Å; Q97-K108 HydrophobicContact CB-CG 4.32Å; Q97-K108 VanDerWaalsContact OE1-CA 3.22Å; D99-K108 IonicContact OD2-NZ 3.51Å; D99-K108 PolarHBondContact OD2-NZ 2.92Å; M104-K108 HydrophobicContact SD-CB 4.06Å; E105-K108 HydrophobicContact CB-CD 4.36Å; E105-K108 HydrophobicContact CB-CG 4.17Å; E105-K108 PolarHBondContact O-N 3.24Å; E105-K108 VanDerWaalsContact O-N 3.15Å; E105-K108 WeakPolarHBondContact OE2-CE 3.44Å; E106-K108 VanDerWaalsContact C-N 3.31Å; E106-K108 PolarHBondContact O-N 2.79Å; K108-V112 WeakPolarHBondContact O-CG2 3.26Å; K108-V112 PolarHBondContact O-N 2.97Å; K108-N158 PolarHBondContact O-ND2 2.91Å
109F98.6Very high98Very high75 Ų7572.3 Ų72.333%0.32935%0.348SS..Hα-helixtrans-60.6-53176-175-85.8000110.7M104 E105 E106 R111 V112 I113 N158M104-F109 HydrophobicContact CG-CB 4.26Å; E105-F109 PolarHBondContact O-N 3.14Å; E105-F109 VanDerWaalsContact O-N 3.13Å; E106-F109 WeakPolarHBondContact O-CB 3.47Å; E106-F109 PolarHBondContact O-N 3.36Å; E106-F109 VanDerWaalsContact O-N 3.12Å; F109-R111 PolarHBondContact O-N 3.46Å; F109-V112 PolarHBondContact O-N 3.32Å; F109-I113 HydrophobicContact CD1-CG1 3.94Å; F109-I113 HydrophobicContact CE1-CD1 4.21Å; F109-I113 HydrophobicContact CE1-CG1 3.57Å; F109-I113 HydrophobicContact CZ-CD1 4.17Å; F109-I113 HydrophobicContact CZ-CG1 4.03Å; F109-I113 WeakPolarHBondContact O-CG1 3.33Å; F109-I113 PolarHBondContact O-N 2.94Å; F109-N158 HydrophobicContact CB-CB 4.28Å; F109-N158 HydrophobicContact CD2-CB 3.53Å; F109-N158 HydrophobicContact CE2-CB 4.1Å; F109-N158 HydrophobicContact CG-CB 4.1Å
110D98.7Very high98.2Very high67 Ų6770.8 Ų70.836%0.35834%0.34SS..Hα-helixtrans-59.4-44.4-179.9-89.75.3000112.2E106 V112 I113 Q114E106-D110 WeakPolarHBondContact O-CB 3.41Å; E106-D110 PolarHBondContact O-N 3.47Å; D110-V112 VanDerWaalsContact C-N 3.31Å; D110-V112 PolarHBondContact O-N 2.92Å; D110-I113 PolarHBondContact O-N 3.47Å; D110-Q114 VanDerWaalsContact O-CB 3.28Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 WeakPolarHBondContact O-CG 3.47Å; D110-Q114 PolarHBondContact O-N 2.88Å
111R98.6Very high98.4Very high82 Ų8269.2 Ų69.231%0.30933%0.333SS..Hα-helixtrans-60.9-43-179.1-174.953.8-179.2166.41.8111.4S66 I95 E107 F109 Q114 V115S66-R111 PolarHBondContact OG-NH1 3.46Å; I95-R111 HydrophobicContact CD1-CG 3.76Å; E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 2.98Å; F109-R111 PolarHBondContact O-N 3.46Å; R111-Q114 PolarHBondContact O-N 3.3Å; R111-V115 WeakPolarHBondContact O-CG2 3.25Å; R111-V115 PolarHBondContact O-N 2.83Å; R111-V115 VanDerWaalsContact O-N 3.1Å
112V98.7Very high98.5Very high0 Ų063.4 Ų63.40%030%0.302CS..Hα-helixtrans-65.6-44176.6171.50000111.4I95 Q97 K108 F109 D110 Q114 V115 N116 N158I95-V112 HydrophobicContact CD1-CG2 4.29Å; I95-V112 HydrophobicContact CG1-CG2 4.22Å; Q97-V112 HydrophobicContact CB-CG2 3.95Å; Q97-V112 HydrophobicContact CG-CG2 4.25Å; K108-V112 WeakPolarHBondContact O-CG2 3.26Å; K108-V112 PolarHBondContact O-N 2.97Å; F109-V112 PolarHBondContact O-N 3.32Å; D110-V112 VanDerWaalsContact C-N 3.31Å; D110-V112 PolarHBondContact O-N 2.92Å; V112-Q114 PolarHBondContact O-N 3.07Å; V112-V115 PolarHBondContact O-N 2.86Å; V112-N116 WeakPolarHBondContact O-CB 3.45Å; V112-N116 PolarHBondContact O-N 3.05Å; V112-N158 HydrophobicContact CB-CB 3.99Å; V112-N158 HydrophobicContact CG1-CB 4.04Å; V112-N158 HydrophobicContact CG2-CB 4.41Å; V112-N158 WeakPolarHBondContact CG2-ND2 3.47Å
113I98.8Very high98.6Very high40 Ų4055.4 Ų55.421%0.20526%0.261CS..Iπ-helixtrans-62.9-43.2176.4-64.8-59.8000111.5F109 D110 V115 L117 K118 A161F109-I113 HydrophobicContact CD1-CG1 3.94Å; F109-I113 HydrophobicContact CE1-CD1 4.21Å; F109-I113 HydrophobicContact CE1-CG1 3.57Å; F109-I113 HydrophobicContact CZ-CD1 4.17Å; F109-I113 HydrophobicContact CZ-CG1 4.03Å; F109-I113 WeakPolarHBondContact O-CG1 3.33Å; F109-I113 PolarHBondContact O-N 2.94Å; D110-I113 PolarHBondContact O-N 3.47Å; I113-V115 PolarHBondContact O-N 2.93Å; I113-L117 HydrophobicContact CG2-CB 4.49Å; I113-L117 WeakPolarHBondContact O-CB 3.47Å; I113-L117 PolarHBondContact O-N 3.29Å; I113-K118 PolarHBondContact O-N 3.26Å; I113-A161 HydrophobicContact CD1-CB 4.37Å
114Q98.7Very high98.6Very high75 Ų7550.8 Ų50.835%0.3524%0.236SC..Iπ-helixtrans-62.3-41.9-179.3-76.3177.327.400112.4S66 D110 R111 V112 K118 G119S66-Q114 WeakPolarHBondContact CB-O 3.32Å; D110-Q114 VanDerWaalsContact O-CB 3.28Å; D110-Q114 WeakPolarHBondContact O-CB 3.33Å; D110-Q114 WeakPolarHBondContact O-CG 3.47Å; D110-Q114 PolarHBondContact O-N 2.88Å; R111-Q114 PolarHBondContact O-N 3.3Å; V112-Q114 PolarHBondContact O-N 3.07Å; Q114-K118 WeakPolarHBondContact O-CB 3.38Å; Q114-G119 PolarHBondContact O-N 3.32Å
115V98.7Very high98.7Very high10 Ų1052.6 Ų52.66%0.06124%0.244CC..Iπ-helixtrans-79.2-54.8179.6175.40000110.9V65 I95 R111 V112 I113 G119V65-V115 HydrophobicContact CG2-CG1 4.09Å; I95-V115 HydrophobicContact CD1-CB 4.08Å; I95-V115 HydrophobicContact CD1-CG2 3.88Å; I95-V115 HydrophobicContact CG1-CB 3.98Å; I95-V115 HydrophobicContact CG1-CG1 4.1Å; I95-V115 HydrophobicContact CG1-CG2 4.31Å; I95-V115 HydrophobicContact CG2-CG1 4.34Å; R111-V115 WeakPolarHBondContact O-CG2 3.25Å; R111-V115 PolarHBondContact O-N 2.83Å; R111-V115 VanDerWaalsContact O-N 3.1Å; V112-V115 PolarHBondContact O-N 2.86Å; I113-V115 PolarHBondContact O-N 2.93Å; V115-G119 WeakPolarHBondContact O-CA 3.29Å; V115-G119 PolarHBondContact O-N 3.35Å
116N98.8Very high98.7Very high0 Ų048.5 Ų48.50%023%0.228CC..Iπ-helixtrans-75.4-44.4-167.2-646.6000112.1G94 I95 V112 S120 Y159 S162 V166G94-N116 WeakPolarHBondContact CA-OD1 3.25Å; I95-N116 PolarHBondContact N-OD1 2.81Å; I95-N116 PolarHBondContact O-ND2 3.07Å; I95-N116 PolarHBondContact O-OD1 3.03Å; V112-N116 WeakPolarHBondContact O-CB 3.45Å; V112-N116 PolarHBondContact O-N 3.05Å; N116-S120 WeakPolarHBondContact O-CB 3.31Å; N116-S120 PolarHBondContact O-OG 3.46Å; N116-Y159 WeakPolarHBondContact ND2-CD2 3.2Å; N116-S162 WeakPolarHBondContact CB-OG 3.35Å; N116-S162 PolarHBondContact ND2-OG 3.06Å; N116-S162 VanDerWaalsContact ND2-OG 3.11Å; N116-V166 VanDerWaalsContact O-CG2 3.31Å; N116-V166 WeakPolarHBondContact O-CG2 3.39Å
117L98.9Very high98.7Very high48 Ų4841.9 Ų41.925%0.25120%0.198SC..Iπ-helixtrans-94.3-60.1-175.2178.356.2000111.7I113 G119 S120 F121 G165 V166I113-L117 HydrophobicContact CG2-CB 4.49Å; I113-L117 WeakPolarHBondContact O-CB 3.47Å; I113-L117 PolarHBondContact O-N 3.29Å; L117-G119 VanDerWaalsContact C-N 3.28Å; L117-G119 PolarHBondContact O-N 3.15Å; L117-S120 PolarHBondContact O-N 3.39Å; L117-F121 PolarHBondContact O-N 2.97Å; L117-G165 VanDerWaalsContact CD1-C 3.41Å; L117-V166 HydrophobicContact CD1-CG2 4.14Å
118K98.9Very high98.7Very high96 Ų9635.9 Ų35.942%0.41717%0.171SC..Iπ-helixtrans-62-38.4-179.9173.7-172174.8-169.10111I113 Q114 F121 L122I113-K118 PolarHBondContact O-N 3.26Å; Q114-K118 WeakPolarHBondContact O-CB 3.38Å; K118-F121 WeakPolarHBondContact O-CB 3.39Å; K118-F121 PolarHBondContact O-N 3.44Å; K118-L122 HydrophobicContact CG-CD1 4.04Å; K118-L122 HydrophobicContact CG-CG 4.28Å; K118-L122 WeakPolarHBondContact O-CG 3.28Å; K118-L122 PolarHBondContact O-N 3.16Å
119G98.8Very high98.6Very high1 Ų139 Ų391%0.0119%0.186CC..Hα-helixtrans-61.9-46.9175.800000113.4V65 Q114 V115 L117 F121 L122 V123V65-G119 WeakPolarHBondContact O-CA 3.45Å; Q114-G119 PolarHBondContact O-N 3.32Å; V115-G119 WeakPolarHBondContact O-CA 3.29Å; V115-G119 PolarHBondContact O-N 3.35Å; L117-G119 VanDerWaalsContact C-N 3.28Å; L117-G119 PolarHBondContact O-N 3.15Å; G119-F121 VanDerWaalsContact C-N 3.27Å; G119-F121 PolarHBondContact O-N 3.18Å; G119-L122 PolarHBondContact O-N 2.94Å; G119-V123 WeakPolarHBondContact O-CG2 3.28Å; G119-V123 PolarHBondContact O-N 3.45Å
120S98.8Very high98.6Very high4 Ų436 Ų363%0.02818%0.175CC..Hα-helixtrans-57.6-40.1173.3-65.70000112.2N116 L117 T124N116-S120 WeakPolarHBondContact O-CB 3.31Å; N116-S120 PolarHBondContact O-OG 3.46Å; L117-S120 PolarHBondContact O-N 3.39Å; S120-T124 WeakPolarHBondContact O-CB 3.45Å; S120-T124 PolarHBondContact O-N 3.11Å; S120-T124 PolarHBondContact O-OG1 3.21Å
121F98.9Very high98.5Very high86 Ų8633 Ų3338%0.37716%0.159SC..Hα-helixtrans-62.5-51.1174.6160.8-102.2000112.3L117 K118 G119 V123 T124 Q125 L169L117-F121 PolarHBondContact O-N 2.97Å; K118-F121 WeakPolarHBondContact O-CB 3.39Å; K118-F121 PolarHBondContact O-N 3.44Å; G119-F121 VanDerWaalsContact C-N 3.27Å; G119-F121 PolarHBondContact O-N 3.18Å; F121-V123 PolarHBondContact O-N 3Å; F121-T124 PolarHBondContact O-N 3.41Å; F121-Q125 WeakPolarHBondContact O-CB 3.32Å; F121-Q125 PolarHBondContact O-N 2.93Å; F121-L169 HydrophobicContact CB-CD1 4.32Å; F121-L169 HydrophobicContact CB-CD2 3.89Å; F121-L169 HydrophobicContact CD2-CD1 4.12Å
122L98.9Very high98.4Very high12 Ų1231.7 Ų31.76%0.06316%0.16CC..Hα-helixtrans-61.7-44.9-176.1-72.3174.2000111.9K68 V71 K118 G119 A126K68-L122 HydrophobicContact CB-CD1 4.25Å; K68-L122 HydrophobicContact CB-CD2 3.95Å; K68-L122 HydrophobicContact CD-CD2 4.47Å; K68-L122 HydrophobicContact CG-CD2 4.11Å; V71-L122 HydrophobicContact CG2-CB 4.3Å; K118-L122 HydrophobicContact CG-CD1 4.04Å; K118-L122 HydrophobicContact CG-CG 4.28Å; K118-L122 WeakPolarHBondContact O-CG 3.28Å; K118-L122 PolarHBondContact O-N 3.16Å; G119-L122 PolarHBondContact O-N 2.94Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.22Å
123V98.9Very high98.2Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-67.5-46.6178.8177.70000110.8L9 T11 V65 V71 N91 G119 F121 Q125 A126 V127L9-V123 HydrophobicContact CD2-CG1 4.22Å; T11-V123 HydrophobicContact CG2-CG1 3.97Å; T11-V123 HydrophobicContact CG2-CG2 4.16Å; V65-V123 HydrophobicContact CB-CG2 4.21Å; V65-V123 HydrophobicContact CG1-CG2 3.98Å; V71-V123 HydrophobicContact CG1-CG2 4.1Å; V71-V123 HydrophobicContact CG2-CG2 3.81Å; N91-V123 WeakPolarHBondContact OD1-CB 3.15Å; N91-V123 WeakPolarHBondContact OD1-CG1 3.07Å; G119-V123 WeakPolarHBondContact O-CG2 3.28Å; G119-V123 PolarHBondContact O-N 3.45Å; F121-V123 PolarHBondContact O-N 3Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 3.24Å; V123-A126 PolarHBondContact O-N 2.81Å; V123-V127 HydrophobicContact CG1-CG2 4.36Å; V123-V127 WeakPolarHBondContact O-CG2 3.5Å; V123-V127 PolarHBondContact O-N 3.22Å
124T98.8Very high97.8Very high8 Ų836.8 Ų36.85%0.04920%0.204CC..Hα-helixtrans-57.3-47.4177.2-64.20000111.4N91 S120 F121 A128 I141 A173N91-T124 PolarHBondContact ND2-OG1 2.87Å; N91-T124 VanDerWaalsContact ND2-OG1 3.11Å; S120-T124 WeakPolarHBondContact O-CB 3.45Å; S120-T124 PolarHBondContact O-N 3.11Å; S120-T124 PolarHBondContact O-OG1 3.21Å; F121-T124 PolarHBondContact O-N 3.41Å; T124-A128 WeakPolarHBondContact O-CB 3.46Å; T124-A128 PolarHBondContact O-N 3.46Å; T124-I141 HydrophobicContact CG2-CD1 4.04Å; T124-I141 HydrophobicContact CG2-CG2 4.18Å; T124-A173 HydrophobicContact CG2-CB 4.35Å
125Q98.8Very high97.1Very high69 Ų6936 Ų3632%0.32222%0.217SC..Hα-helixtrans-61.3-47.6178.4179.917875.900111.4F121 V123 A128 Q129F121-Q125 WeakPolarHBondContact O-CB 3.32Å; F121-Q125 PolarHBondContact O-N 2.93Å; V123-Q125 VanDerWaalsContact C-N 3.34Å; V123-Q125 PolarHBondContact O-N 3.24Å; Q125-A128 PolarHBondContact O-N 2.91Å; Q125-Q129 HydrophobicContact CG-CG 4.39Å; Q125-Q129 WeakPolarHBondContact O-CB 3.12Å; Q125-Q129 VanDerWaalsContact O-CG 3.28Å; Q125-Q129 WeakPolarHBondContact O-CG 3.26Å; Q125-Q129 PolarHBondContact O-N 2.9Å
126A98.6Very high95.5Very high20 Ų2039.8 Ų39.817%0.16524%0.243CC..Hα-helixtrans-63.7-44.3-177.900000112.2V71 L75 L122 V123 A130V71-A126 HydrophobicContact CG1-CB 3.73Å; L75-A126 HydrophobicContact CD2-CB 4.05Å; L75-A126 HydrophobicContact CG-CB 4.1Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.22Å; V123-A126 PolarHBondContact O-N 2.81Å; A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.43Å; A126-A130 PolarHBondContact O-N 2.91Å
127V98.4Very high94.1Very high0 Ų042 Ų420%026%0.258CS..Hα-helixtrans-65.9-44.8176.8172.30000111.1L9 L75 P86 C89 V123 A130 L131L9-V127 HydrophobicContact CD2-CG2 4.08Å; L75-V127 HydrophobicContact CD1-CG2 4.16Å; L75-V127 HydrophobicContact CD2-CG2 4.34Å; P86-V127 HydrophobicContact CG-CG1 4.26Å; P86-V127 HydrophobicContact CG-CG2 4.1Å; C89-V127 HydrophobicContact CB-CB 4.41Å; C89-V127 HydrophobicContact CB-CG1 3.97Å; C89-V127 HydrophobicContact CB-CG2 4.13Å; V123-V127 HydrophobicContact CG1-CG2 4.36Å; V123-V127 WeakPolarHBondContact O-CG2 3.5Å; V123-V127 PolarHBondContact O-N 3.22Å; V127-A130 PolarHBondContact O-N 3.19Å; V127-L131 HydrophobicContact CG1-CD1 3.84Å; V127-L131 HydrophobicContact CG1-CG 4.37Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 2.88Å
128A97.9Very high93.5Very high7 Ų746.9 Ų46.96%0.05828%0.277CS..Hα-helixtrans-62.1-45.817900000112T124 Q125 A130 L131 V132 I141 L177T124-A128 WeakPolarHBondContact O-CB 3.46Å; T124-A128 PolarHBondContact O-N 3.46Å; Q125-A128 PolarHBondContact O-N 2.91Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 2.78Å; A128-L131 PolarHBondContact O-N 3.46Å; A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 2.98Å; A128-I141 HydrophobicContact CB-CD1 4.25Å; A128-L177 HydrophobicContact CB-CD1 3.64Å; A128-L177 HydrophobicContact CB-CD2 3.93Å; A128-L177 HydrophobicContact CB-CG 4.47Å
129Q97.6Very high93.3Very high120 Ų12042.4 Ų42.456%0.56126%0.258SS*.Hα-helixtrans-58-43.9175-76.6176.5-15.800111.5Q125 V132 A133Q125-Q129 HydrophobicContact CG-CG 4.39Å; Q125-Q129 WeakPolarHBondContact O-CB 3.12Å; Q125-Q129 VanDerWaalsContact O-CG 3.28Å; Q125-Q129 WeakPolarHBondContact O-CG 3.26Å; Q125-Q129 PolarHBondContact O-N 2.9Å; Q129-V132 PolarHBondContact O-N 2.96Å; Q129-A133 VanDerWaalsContact O-CB 3.26Å; Q129-A133 WeakPolarHBondContact O-CB 3.24Å; Q129-A133 PolarHBondContact O-N 3.16Å
130A97.3Very high93.3Very high10 Ų1042.4 Ų42.48%0.08326%0.258CS..Hα-helixtrans-64.8-42.3179.100000112.9L75 P85 A126 V127 A128 A133 C134L75-A130 HydrophobicContact CD1-CB 4.5Å; P85-A130 HydrophobicContact CB-CB 3.73Å; P85-A130 HydrophobicContact CG-CB 4.47Å; A126-A130 VanDerWaalsContact O-CB 3.31Å; A126-A130 WeakPolarHBondContact O-CB 3.43Å; A126-A130 PolarHBondContact O-N 2.91Å; V127-A130 PolarHBondContact O-N 3.19Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 2.78Å; A130-A133 PolarHBondContact O-N 2.79Å; A130-C134 PolarHBondContact O-N 3.38Å; A130-C134 VanDerWaalsContact O-N 3.14Å
131L96.6Very high93.3Very high4 Ų442.3 Ų42.32%0.02126%0.257CS..Hα-helixtrans-66-40.9176.7-77169000112.7P85 V127 A128 C134 I182P85-L131 HydrophobicContact CB-CD2 4.48Å; P85-L131 HydrophobicContact CG-CD2 3.97Å; P85-L131 HydrophobicContact CG-CG 4.44Å; V127-L131 HydrophobicContact CG1-CD1 3.84Å; V127-L131 HydrophobicContact CG1-CG 4.37Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 2.88Å; A128-L131 PolarHBondContact O-N 3.46Å; L131-C134 PolarHBondContact O-SG 2.88Å; L131-I182 HydrophobicContact CB-CD1 3.87Å; L131-I182 HydrophobicContact CD1-CD1 4.15Å; L131-I182 HydrophobicContact CD1-CG1 4.42Å
132V96.5Very high93.3Very high55 Ų5538.2 Ų38.233%0.33324%0.239SC..Hα-helixtrans-66.4-43.6176.2172.90000110.4A128 Q129 C134 G135 F180 I182A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 2.98Å; Q129-V132 PolarHBondContact O-N 2.96Å; V132-C134 VanDerWaalsContact C-N 3.31Å; V132-C134 PolarHBondContact O-N 3.08Å; V132-G135 PolarHBondContact O-N 3.48Å; V132-F180 HydrophobicContact CG1-CD1 4.21Å; V132-F180 HydrophobicContact CG1-CE1 4.11Å; V132-F180 HydrophobicContact CG2-CB 4.12Å; V132-F180 HydrophobicContact CG2-CD1 4.03Å; V132-F180 HydrophobicContact CG2-CD2 3.9Å; V132-F180 HydrophobicContact CG2-CE1 4.44Å; V132-F180 HydrophobicContact CG2-CE2 4.34Å; V132-F180 HydrophobicContact CG2-CG 3.75Å; V132-I182 HydrophobicContact CG2-CD1 4.09Å
133A95.6Very high93.3Very high90 Ų9037.8 Ų37.874%0.74424%0.237SC*.Hα-helixtrans-64.3-31.3-179.500000113.6Q129 A130 G135Q129-A133 VanDerWaalsContact O-CB 3.26Å; Q129-A133 WeakPolarHBondContact O-CB 3.24Å; Q129-A133 PolarHBondContact O-N 3.16Å; A130-A133 PolarHBondContact O-N 2.79Å; A133-G135 VanDerWaalsContact C-N 3.3Å; A133-G135 PolarHBondContact O-N 3.17Å
134C90.7Very high93.3Very high57 Ų5738 Ų3839%0.38524%0.238SC..THydrogen-bonded Turntrans-83.6-0.1179.9810000114.2P85 A130 L131 V132 S136P85-C134 HydrophobicContact CG-CB 4.13Å; P85-C134 VanDerWaalsContact CG-SG 3.56Å; A130-C134 PolarHBondContact O-N 3.38Å; A130-C134 VanDerWaalsContact O-N 3.14Å; L131-C134 PolarHBondContact O-SG 2.88Å; V132-C134 VanDerWaalsContact C-N 3.31Å; V132-C134 PolarHBondContact O-N 3.08Å; C134-S136 PolarHBondContact O-N 2.93Å; C134-S136 VanDerWaalsContact O-N 3.11Å
135G82.8Confident93.2Very high60 Ų6037.9 Ų37.962%0.61924%0.238SC*.THydrogen-bonded Turntrans67.210.4172.600000116.2V132 A133 P137V132-G135 PolarHBondContact O-N 3.48Å; A133-G135 VanDerWaalsContact C-N 3.3Å; A133-G135 PolarHBondContact O-N 3.17Å; G135-P137 VanDerWaalsContact C-CD 3.45Å; G135-P137 WeakPolarHBondContact O-CD 3.49Å
136S65.8Low93.1Very high88 Ų8835 Ų3562%0.61523%0.226SC*.  trans-123.263.4-177.5-65.90000112.3C134 K138C134-S136 PolarHBondContact O-N 2.93Å; C134-S136 VanDerWaalsContact O-N 3.11Å; S136-K138 PolarHBondContact O-N 3.23Å
137P69.1Low93Very high48 Ų4834.2 Ų34.231%0.31222%0.219SC..  trans-88.286.8-163.939.9-39.8000111.1G135 F180 I182G135-P137 VanDerWaalsContact C-CD 3.45Å; G135-P137 WeakPolarHBondContact O-CD 3.49Å; P137-F180 HydrophobicContact CB-CB 4.34Å; P137-F180 WeakPolarHBondContact CB-O 3.49Å; P137-F180 WeakPolarHBondContact CG-O 3.48Å; P137-I182 HydrophobicContact CB-CG1 4.35Å
138K85.6Confident92.9Very high149 Ų14934.8 Ų34.865%0.64822%0.222SC*.  trans-11768161.3-73.9-172.4176.9-176.80108.7R6 S136R6-K138 PolarHBondContact NH1-O 2.85Å; S136-K138 PolarHBondContact O-N 3.23Å
139G95.8Very high92.8Very high3 Ų335.1 Ų35.13%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-93.5146.3-174.900000113.6S87 I182 R183S87-G139 CarbonylContact O-C 3.5Å; S87-G139 VanDerWaalsContact O-CA 3.27Å; S87-G139 WeakPolarHBondContact O-CA 2.87Å; G139-I182 WeakPolarHBondContact O-CA 3.49Å; G139-R183 PolarHBondContact O-N 3.13Å
140S98.5Very high92.6Very high1 Ų134 Ų341%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-131.5113.5163.2-172.70000110.2S87 V88 C89 R183 L230S87-S140 PolarHBondContact O-N 3.28Å; V88-S140 CarbonylContact C-O 3.53Å; V88-S140 VanDerWaalsContact CA-O 3.24Å; V88-S140 WeakPolarHBondContact CA-O 3.46Å; C89-S140 PolarHBondContact N-O 3.01Å; S140-R183 WeakPolarHBondContact CA-O 3.05Å; S140-L230 PolarHBondContact OG-O 3.1Å
141I98.8Very high92.5Very high2 Ų237 Ų371%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-104.7124175-57.6177.9000108C89 T124 A128 L177 I182 R183 C184 N185C89-I141 HydrophobicContact CB-CG1 4.44Å; C89-I141 CarbonylContact O-C 3.5Å; C89-I141 WeakPolarHBondContact O-CA 2.89Å; T124-I141 HydrophobicContact CG2-CD1 4.04Å; T124-I141 HydrophobicContact CG2-CG2 4.18Å; A128-I141 HydrophobicContact CB-CD1 4.25Å; I141-L177 HydrophobicContact CD1-CD1 4.26Å; I141-I182 HydrophobicContact CD1-CG2 3.98Å; I141-I182 HydrophobicContact CG1-CG2 4.09Å; I141-R183 PolarHBondContact N-O 3.2Å; I141-C184 CarbonylContact O-C 3.55Å; I141-C184 VanDerWaalsContact O-CA 3.24Å; I141-C184 WeakPolarHBondContact O-CA 3.29Å; I141-N185 PolarHBondContact O-N 3.46Å
142I98.9Very high92.4Very high0 Ų038.2 Ų38.20%025%0.251CS..EExtended strand (participates in β ladder)trans-120.1129.7-178.8-59.1151.7000107.4V88 C89 V90 N91 N185 V187 C227 L230 A231V88-I142 HydrophobicContact CG1-CD1 4.41Å; C89-I142 PolarHBondContact O-N 2.76Å; V90-I142 CarbonylContact C-O 3.52Å; V90-I142 VanDerWaalsContact CA-O 3.32Å; V90-I142 WeakPolarHBondContact CA-O 3.45Å; V90-I142 HydrophobicContact CG1-CB 4.42Å; V90-I142 HydrophobicContact CG1-CG2 4.39Å; V90-I142 HydrophobicContact CG2-CB 4.26Å; V90-I142 HydrophobicContact CG2-CD1 4.08Å; N91-I142 PolarHBondContact N-O 2.81Å; I142-N185 VanDerWaalsContact CA-O 3.29Å; I142-N185 WeakPolarHBondContact CA-O 3.43Å; I142-V187 HydrophobicContact CG2-CG2 3.96Å; I142-C227 VanDerWaalsContact CD1-O 3.25Å; I142-C227 WeakPolarHBondContact CD1-O 3.37Å; I142-L230 HydrophobicContact CD1-CB 3.76Å; I142-L230 HydrophobicContact CG1-CB 3.86Å; I142-L230 HydrophobicContact CG2-CD1 4.36Å; I142-A231 HydrophobicContact CD1-CB 4.07Å
143T98.9Very high92.3Very high2 Ų239.3 Ų39.31%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-113.7142.317754.80000110N91 V166 T170 N185 C186 V187N91-T143 HydrophobicContact CB-CG2 4.21Å; T143-V166 HydrophobicContact CG2-CG1 4.33Å; T143-T170 WeakPolarHBondContact CG2-OG1 3.3Å; T143-T170 PolarHBondContact OG1-OG1 2.75Å; T143-N185 PolarHBondContact N-O 3.12Å; T143-N185 PolarHBondContact OG1-O 3.04Å; T143-C186 WeakPolarHBondContact O-CA 3.25Å; T143-V187 PolarHBondContact O-N 2.81Å
144L98.5Very high92.1Very high6 Ų641.5 Ų41.53%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-93.6101.3174.4-77-66.9000108.5I17 V90 N91 K163 V187 P189 V223I17-L144 HydrophobicContact CG2-CD1 4.06Å; I17-L144 HydrophobicContact CG2-CG 4.49Å; V90-L144 HydrophobicContact CG1-CD2 3.37Å; N91-L144 WeakPolarHBondContact O-CB 3.31Å; N91-L144 WeakPolarHBondContact O-CD2 3.47Å; N91-L144 PolarHBondContact O-N 3.26Å; L144-K163 PolarHBondContact O-NZ 3.48Å; L144-V187 HydrophobicContact CD1-CB 4.21Å; L144-V187 HydrophobicContact CD1-CG1 4.44Å; L144-P189 HydrophobicContact CD1-CG 4.1Å; L144-V223 HydrophobicContact CD1-CG1 3.87Å
145G97.3Very high92.3Very high4 Ų439.5 Ų39.54%0.04124%0.242CC..  trans-75.6-144.7165.800000111.2V187G145-V187 WeakPolarHBondContact CA-O 3.19Å; G145-V187 PolarHBondContact N-O 2.66Å
146S97.1Very high92.9Very high10 Ų1037.4 Ų37.47%0.0722%0.216CC..  trans-167.8151.4169.5176.60000107.7V148 G149S146-V148 PolarHBondContact O-N 2.98Å; S146-V148 WeakPolarHBondContact OG-CB 3.47Å; S146-V148 PolarHBondContact OG-N 2.83Å; S146-V148 VanDerWaalsContact OG-N 3.15Å; S146-G149 PolarHBondContact O-N 3.18Å
147I96.1Very high94.5Very high3 Ų335 Ų352%0.01520%0.201CC..THydrogen-bonded Turntrans-57.5-29.5168.9-163.557.6000111.7G149 K150 V151 P189 E244 T246 L249 F250I147-G149 PolarHBondContact O-N 3.36Å; I147-K150 HydrophobicContact CD1-CD 4.32Å; I147-K150 WeakPolarHBondContact O-CB 3.33Å; I147-K150 PolarHBondContact O-N 3.28Å; I147-V151 HydrophobicContact CG1-CG2 4.44Å; I147-V151 WeakPolarHBondContact O-CG2 3.49Å; I147-V151 PolarHBondContact O-N 2.77Å; I147-V151 VanDerWaalsContact O-N 3.14Å; I147-P189 PolarHBondContact N-O 2.67Å; I147-E244 HydrophobicContact CD1-CG 4.21Å; I147-T246 HydrophobicContact CB-CG2 3.92Å; I147-T246 HydrophobicContact CD1-CG2 4.04Å; I147-T246 HydrophobicContact CG1-CG2 3.96Å; I147-L249 HydrophobicContact CG2-CD2 4.38Å; I147-F250 HydrophobicContact CD1-CB 4.46Å; I147-F250 HydrophobicContact CG1-CB 4.14Å; I147-F250 HydrophobicContact CG1-CD2 3.81Å; I147-F250 HydrophobicContact CG1-CG 4.45Å; I147-F250 HydrophobicContact CG2-CD2 4.27Å
148V95.7Very high95.8Very high11 Ų1132.7 Ų32.77%0.06719%0.186CC..Hα-helixtrans-60.1-27.1175.5176.30000112.2S146 K150 G152 N153 Q156 Y159 A160S146-V148 PolarHBondContact O-N 2.98Å; S146-V148 WeakPolarHBondContact OG-CB 3.47Å; S146-V148 PolarHBondContact OG-N 2.83Å; S146-V148 VanDerWaalsContact OG-N 3.15Å; V148-K150 PolarHBondContact O-N 3.04Å; V148-G152 WeakPolarHBondContact O-CA 3.34Å; V148-G152 PolarHBondContact O-N 3.5Å; V148-N153 HydrophobicContact CB-CB 4.49Å; V148-N153 HydrophobicContact CG1-CB 3.66Å; V148-N153 HydrophobicContact CG2-CB 4.07Å; V148-Q156 HydrophobicContact CG1-CB 4.36Å; V148-Y159 HydrophobicContact CB-CD1 4.25Å; V148-Y159 HydrophobicContact CB-CE1 4.23Å; V148-Y159 HydrophobicContact CG1-CD1 3.94Å; V148-Y159 HydrophobicContact CG1-CE1 4.41Å; V148-A160 HydrophobicContact CG1-CB 3.85Å
149G95.7Very high96.4Very high14 Ų1427 Ų2714%0.14416%0.161CC..Hα-helixtrans-66.5-24.8172.900000113.7S146 I147 A164S146-G149 PolarHBondContact O-N 3.18Å; I147-G149 PolarHBondContact O-N 3.36Å; G149-A164 WeakPolarHBondContact O-CB 3.32Å
150K94.4Very high96.5Very high96 Ų9627.6 Ų27.642%0.41717%0.165SC..Hα-helixtrans-91.1-43.8178.2-73.1-172.5167.3-173.30112.8I147 V148 L188 E244I147-K150 HydrophobicContact CD1-CD 4.32Å; I147-K150 WeakPolarHBondContact O-CB 3.33Å; I147-K150 PolarHBondContact O-N 3.28Å; V148-K150 PolarHBondContact O-N 3.04Å; K150-L188 HydrophobicContact CD-CD2 3.7Å; K150-L188 VanDerWaalsContact CE-CD2 3.44Å; K150-L188 HydrophobicContact CG-CD2 3.92Å; K150-E244 WeakPolarHBondContact CD-OE1 3.48Å; K150-E244 IonicContact NZ-OE1 3.91Å; K150-E244 PolarHBondContact NZ-OE1 3.13Å
151V94.3Very high96.5Very high73 Ų7329.6 Ų29.644%0.44218%0.182SC..Hα-helixtrans-106.5-9.1-169.9-58.50000114.1I147 F250I147-V151 HydrophobicContact CG1-CG2 4.44Å; I147-V151 WeakPolarHBondContact O-CG2 3.49Å; I147-V151 PolarHBondContact O-N 2.77Å; I147-V151 VanDerWaalsContact O-N 3.14Å; V151-F250 HydrophobicContact CB-CG 4.41Å; V151-F250 HydrophobicContact CG1-CB 3.93Å; V151-F250 HydrophobicContact CG1-CD1 4.41Å; V151-F250 HydrophobicContact CG1-CD2 4.44Å; V151-F250 HydrophobicContact CG1-CG 4.03Å; V151-F250 HydrophobicContact CG2-CD1 4.32Å; V151-F250 HydrophobicContact CG2-CD2 3.58Å; V151-F250 HydrophobicContact CG2-CE1 4.41Å; V151-F250 HydrophobicContact CG2-CE2 3.7Å; V151-F250 HydrophobicContact CG2-CG 3.92Å; V151-F250 HydrophobicContact CG2-CZ 4.12Å
152G93.9Very high96.5Very high31 Ų3129.5 Ų29.532%0.3218%0.182SC..  trans71.3172.9-169.900000112.7V148V148-G152 WeakPolarHBondContact O-CA 3.34Å; V148-G152 PolarHBondContact O-N 3.5Å
153N93.9Very high96.5Very high77 Ų7730 Ų3041%0.41218%0.184SC..  trans-155.3148.4169.1-170.428.9000109.4V148 G155 Q156V148-N153 HydrophobicContact CB-CB 4.49Å; V148-N153 HydrophobicContact CG1-CB 3.66Å; V148-N153 HydrophobicContact CG2-CB 4.07Å; N153-G155 PolarHBondContact O-N 3.02Å; N153-Q156 HydrophobicContact CB-CB 4.09Å; N153-Q156 HydrophobicContact CB-CG 4.14Å; N153-Q156 PolarHBondContact ND2-OE1 3.07Å; N153-Q156 PolarHBondContact O-N 3.38Å; N153-Q156 VanDerWaalsContact O-N 3.16Å
154L93.4Very high96.5Very high136 Ų13631.7 Ų31.771%0.71220%0.198SC*.THydrogen-bonded Turntrans-62.7130.3-179.1-169.768.4000109.7F100 Q156F100-L154 HydrophobicContact CD1-CD1 4.28Å; F100-L154 HydrophobicContact CD1-CG 4.36Å; F100-L154 HydrophobicContact CE1-CD1 3.87Å; F100-L154 HydrophobicContact CE1-CD2 3.8Å; F100-L154 HydrophobicContact CE1-CG 3.65Å; F100-L154 HydrophobicContact CZ-CD2 4.31Å; F100-L154 HydrophobicContact CZ-CG 4.49Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.45Å
155G93.8Very high96.5Very high15 Ų1532.5 Ų32.516%0.15521%0.208CC..THydrogen-bonded Turntrans81.62-17900000115.3D98 D99 N153D98-G155 CarbonylContact C-O 3.52Å; D98-G155 VanDerWaalsContact CA-O 3.3Å; D98-G155 WeakPolarHBondContact CA-O 3.27Å; D98-G155 WeakPolarHBondContact CB-O 3.11Å; D99-G155 PolarHBondContact N-O 3.41Å; D99-G155 CarbonylContact O-C 3.53Å; D99-G155 VanDerWaalsContact O-C 3.23Å; D99-G155 WeakPolarHBondContact O-CA 3.16Å; N153-G155 PolarHBondContact O-N 3.02Å
156Q96.3Very high96.5Very high17 Ų1732.3 Ų32.38%0.07921%0.207CC..BIsolated β-bridgetrans-118.936.7-170.3-62.4-151-71.900113.2D98 V148 N153 L154 N158 Y159 A160D98-Q156 PolarHBondContact OD1-NE2 3.42Å; D98-Q156 PolarHBondContact OD2-NE2 3.48Å; D98-Q156 VanDerWaalsContact OD2-NE2 3.11Å; V148-Q156 HydrophobicContact CG1-CB 4.36Å; N153-Q156 HydrophobicContact CB-CB 4.09Å; N153-Q156 HydrophobicContact CB-CG 4.14Å; N153-Q156 PolarHBondContact ND2-OE1 3.07Å; N153-Q156 PolarHBondContact O-N 3.38Å; N153-Q156 VanDerWaalsContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.45Å; Q156-N158 VanDerWaalsContact C-N 3.31Å; Q156-N158 PolarHBondContact O-N 3.11Å; Q156-Y159 PolarHBondContact O-N 3.38Å; Q156-A160 WeakPolarHBondContact O-CB 3.28Å; Q156-A160 PolarHBondContact O-N 3.05Å
157A97.7Very high96.6Very high36 Ų3632.7 Ų32.730%0.29821%0.207SC..Hα-helixtrans-56.5-44.7-177.600000112.4L101 A161L101-A157 HydrophobicContact CD1-CB 3.95Å; A157-A161 WeakPolarHBondContact O-CB 3.21Å; A157-A161 PolarHBondContact O-N 3.26Å; A157-A161 VanDerWaalsContact O-N 3.16Å
158N98.1Very high96.7Very high0 Ų033.7 Ų33.70%022%0.218CC..Hα-helixtrans-65.4-48.4175.154.7-1.4000112.6Q97 M104 K108 F109 V112 Q156 S162Q97-N158 PolarHBondContact O-ND2 3.39Å; M104-N158 HydrophobicContact CE-CB 4.48Å; M104-N158 PolarHBondContact SD-ND2 2.95Å; K108-N158 PolarHBondContact O-ND2 2.91Å; F109-N158 HydrophobicContact CB-CB 4.28Å; F109-N158 HydrophobicContact CD2-CB 3.53Å; F109-N158 HydrophobicContact CE2-CB 4.1Å; F109-N158 HydrophobicContact CG-CB 4.1Å; V112-N158 HydrophobicContact CB-CB 3.99Å; V112-N158 HydrophobicContact CG1-CB 4.04Å; V112-N158 HydrophobicContact CG2-CB 4.41Å; V112-N158 WeakPolarHBondContact CG2-ND2 3.47Å; Q156-N158 VanDerWaalsContact C-N 3.31Å; Q156-N158 PolarHBondContact O-N 3.11Å; N158-S162 WeakPolarHBondContact O-CB 3.4Å; N158-S162 PolarHBondContact O-N 3.28Å
159Y97.8Very high96.9Very high30 Ų3034.9 Ų34.912%0.11822%0.224CC..Hα-helixtrans-67.5-47.6-177.4-175.1-97.3000111.9I95 T96 N116 V148 Q156 A161 S162 K163I95-Y159 WeakPolarHBondContact O-CD2 3.42Å; T96-Y159 HydrophobicContact CG2-CD2 3.47Å; T96-Y159 VanDerWaalsContact CG2-CD2 3.47Å; T96-Y159 HydrophobicContact CG2-CE2 3.59Å; T96-Y159 HydrophobicContact CG2-CG 4.02Å; N116-Y159 WeakPolarHBondContact ND2-CD2 3.2Å; V148-Y159 HydrophobicContact CB-CD1 4.25Å; V148-Y159 HydrophobicContact CB-CE1 4.23Å; V148-Y159 HydrophobicContact CG1-CD1 3.94Å; V148-Y159 HydrophobicContact CG1-CE1 4.41Å; Q156-Y159 PolarHBondContact O-N 3.38Å; Y159-A161 PolarHBondContact O-N 3.4Å; Y159-S162 PolarHBondContact O-N 3.41Å; Y159-S162 VanDerWaalsContact O-N 3.16Å; Y159-S162 PolarHBondContact O-OG 3.02Å; Y159-K163 HydrophobicContact CD1-CG 4.11Å; Y159-K163 HydrophobicContact CD2-CG 4.49Å; Y159-K163 HydrophobicContact CE1-CG 3.74Å; Y159-K163 HydrophobicContact CE2-CD 4.46Å; Y159-K163 HydrophobicContact CE2-CG 4.2Å; Y159-K163 HydrophobicContact CG-CG 4.47Å; Y159-K163 VanDerWaalsContact CZ-CE 3.45Å; Y159-K163 WeakPolarHBondContact O-CG 3.35Å; Y159-K163 PolarHBondContact O-N 3.4Å; Y159-K163 VanDerWaalsContact OH-CE 3.29Å; Y159-K163 WeakPolarHBondContact OH-CE 3.47Å
160A98Very high97Very high15 Ų1534.4 Ų34.412%0.12422%0.218CC..Hα-helixtrans-57.2-49.1175.800000111.2V148 Q156 S162 K163 A164V148-A160 HydrophobicContact CG1-CB 3.85Å; Q156-A160 WeakPolarHBondContact O-CB 3.28Å; Q156-A160 PolarHBondContact O-N 3.05Å; A160-S162 VanDerWaalsContact C-N 3.32Å; A160-S162 PolarHBondContact O-N 2.93Å; A160-K163 PolarHBondContact O-N 3.02Å; A160-A164 WeakPolarHBondContact O-CB 3.37Å; A160-A164 PolarHBondContact O-N 3Å
161A98.6Very high97.2Very high44 Ų4435 Ų3536%0.36422%0.218SC..Hα-helixtrans-58.3-44.1175.600000111.7I113 A157 Y159 K163 G165I113-A161 HydrophobicContact CD1-CB 4.37Å; A157-A161 WeakPolarHBondContact O-CB 3.21Å; A157-A161 PolarHBondContact O-N 3.26Å; A157-A161 VanDerWaalsContact O-N 3.16Å; Y159-A161 PolarHBondContact O-N 3.4Å; A161-K163 PolarHBondContact O-N 3.24Å; A161-G165 PolarHBondContact O-N 2.66Å
162S98.7Very high97.4Very high0 Ų035 Ų350%022%0.218CC..Hα-helixtrans-62.2-43.8178.682.70000112.7N116 N158 Y159 A160 G165 V166N116-S162 WeakPolarHBondContact CB-OG 3.35Å; N116-S162 PolarHBondContact ND2-OG 3.06Å; N116-S162 VanDerWaalsContact ND2-OG 3.11Å; N158-S162 WeakPolarHBondContact O-CB 3.4Å; N158-S162 PolarHBondContact O-N 3.28Å; Y159-S162 PolarHBondContact O-N 3.41Å; Y159-S162 VanDerWaalsContact O-N 3.16Å; Y159-S162 PolarHBondContact O-OG 3.02Å; A160-S162 VanDerWaalsContact C-N 3.32Å; A160-S162 PolarHBondContact O-N 2.93Å; S162-G165 PolarHBondContact O-N 2.65Å; S162-V166 WeakPolarHBondContact O-CG2 3.38Å; S162-V166 PolarHBondContact O-N 3.12Å
163K98.2Very high97.7Very high9 Ų934.1 Ų34.14%0.03921%0.208CC..Hα-helixtrans-76.1-34.7-176.6-65.9-54.1-164.8174.70112.4L144 Y159 A160 A161 G165 V166 E167L144-K163 PolarHBondContact O-NZ 3.48Å; Y159-K163 HydrophobicContact CD1-CG 4.11Å; Y159-K163 HydrophobicContact CD2-CG 4.49Å; Y159-K163 HydrophobicContact CE1-CG 3.74Å; Y159-K163 HydrophobicContact CE2-CD 4.46Å; Y159-K163 HydrophobicContact CE2-CG 4.2Å; Y159-K163 HydrophobicContact CG-CG 4.47Å; Y159-K163 VanDerWaalsContact CZ-CE 3.45Å; Y159-K163 WeakPolarHBondContact O-CG 3.35Å; Y159-K163 PolarHBondContact O-N 3.4Å; Y159-K163 VanDerWaalsContact OH-CE 3.29Å; Y159-K163 WeakPolarHBondContact OH-CE 3.47Å; A160-K163 PolarHBondContact O-N 3.02Å; A161-K163 PolarHBondContact O-N 3.24Å; K163-G165 VanDerWaalsContact C-N 3.33Å; K163-V166 PolarHBondContact O-N 2.93Å; K163-E167 PolarHBondContact O-N 3.42Å; K163-E167 VanDerWaalsContact O-N 3.16Å
164A98.4Very high97.9Very high38 Ų3830.7 Ų30.731%0.31419%0.19SC..Hα-helixtrans-60.9-43.9167.600000111.3G149 A160 V166 E167 G168G149-A164 WeakPolarHBondContact O-CB 3.32Å; A160-A164 WeakPolarHBondContact O-CB 3.37Å; A160-A164 PolarHBondContact O-N 3Å; A164-V166 PolarHBondContact O-N 3.31Å; A164-E167 WeakPolarHBondContact O-CB 3.38Å; A164-E167 PolarHBondContact O-N 3.01Å; A164-G168 PolarHBondContact O-N 3.29Å
165G98.7Very high98.1Very high24 Ų2432.7 Ų32.725%0.24719%0.193CC..Hα-helixtrans-61.1-41.1175.900000112.9L117 A161 S162 K163 E167 G168 L169L117-G165 VanDerWaalsContact CD1-C 3.41Å; A161-G165 PolarHBondContact O-N 2.66Å; S162-G165 PolarHBondContact O-N 2.65Å; K163-G165 VanDerWaalsContact C-N 3.33Å; G165-E167 VanDerWaalsContact C-N 3.3Å; G165-E167 PolarHBondContact O-N 3.48Å; G165-G168 PolarHBondContact O-N 3.04Å; G165-L169 WeakPolarHBondContact O-CB 3.07Å; G165-L169 PolarHBondContact O-N 3.43Å
166V98.7Very high98.3Very high0 Ų037.1 Ų37.10%021%0.209CC..Hα-helixtrans-61.8-39.6175.71670000111.1N116 L117 T143 S162 K163 A164 L169 T170N116-V166 VanDerWaalsContact O-CG2 3.31Å; N116-V166 WeakPolarHBondContact O-CG2 3.39Å; L117-V166 HydrophobicContact CD1-CG2 4.14Å; T143-V166 HydrophobicContact CG2-CG1 4.33Å; S162-V166 WeakPolarHBondContact O-CG2 3.38Å; S162-V166 PolarHBondContact O-N 3.12Å; K163-V166 PolarHBondContact O-N 2.93Å; A164-V166 PolarHBondContact O-N 3.31Å; V166-L169 PolarHBondContact O-N 2.64Å; V166-T170 WeakPolarHBondContact O-CB 3.25Å; V166-T170 PolarHBondContact O-N 2.84Å; V166-T170 PolarHBondContact O-OG1 2.59Å
167E98.5Very high98.4Very high17 Ų1737.3 Ų37.38%0.07921%0.211CC..Hα-helixtrans-63.5-45175.6-154.8-171.8150.600111.8K163 A164 G165 T170 R171 C186 S242K163-E167 PolarHBondContact O-N 3.42Å; K163-E167 VanDerWaalsContact O-N 3.16Å; A164-E167 WeakPolarHBondContact O-CB 3.38Å; A164-E167 PolarHBondContact O-N 3.01Å; G165-E167 VanDerWaalsContact C-N 3.3Å; G165-E167 PolarHBondContact O-N 3.48Å; E167-T170 PolarHBondContact O-N 3.28Å; E167-R171 PolarHBondContact O-N 3.1Å; E167-R171 VanDerWaalsContact O-N 3.11Å; E167-R171 IonicContact OE1-CZ 2.72Å; E167-R171 IonicContact OE1-NH1 2.84Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; E167-C186 HydrophobicContact CG-CB 4.43Å; E167-S242 WeakPolarHBondContact CG-OG 3.17Å; E167-S242 WeakPolarHBondContact OE1-CB 3.18Å; E167-S242 PolarHBondContact OE1-OG 3.24Å
168G98.6Very high98.3Very high24 Ų2438.1 Ų38.125%0.24721%0.214CC..Hα-helixtrans-60.2-48.5174.200000112.9A164 G165 T170 R171 T172A164-G168 PolarHBondContact O-N 3.29Å; G165-G168 PolarHBondContact O-N 3.04Å; G168-T170 VanDerWaalsContact C-N 3.27Å; G168-T170 PolarHBondContact O-N 3.27Å; G168-R171 PolarHBondContact O-N 3.18Å; G168-T172 PolarHBondContact O-N 3.22Å; G168-T172 VanDerWaalsContact O-N 3.08Å; G168-T172 PolarHBondContact O-OG1 3.38Å
169L98.8Very high98.2Very high37 Ų3747.1 Ų47.119%0.19425%0.248CC..Hα-helixtrans-54.5-45.2174.9170.966.6000111.3F121 G165 V166 T172 A173F121-L169 HydrophobicContact CB-CD1 4.32Å; F121-L169 HydrophobicContact CB-CD2 3.89Å; F121-L169 HydrophobicContact CD2-CD1 4.12Å; G165-L169 WeakPolarHBondContact O-CB 3.07Å; G165-L169 PolarHBondContact O-N 3.43Å; V166-L169 PolarHBondContact O-N 2.64Å; L169-T172 PolarHBondContact O-N 3.06Å; L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 3.36Å
170T98.8Very high98.1Very high4 Ų449.4 Ų49.43%0.02526%0.259CS..Hα-helixtrans-65.6-42.6-176.8-56.90000111.8T143 V166 E167 G168 A173 A174 C184 N185 C186T143-T170 WeakPolarHBondContact CG2-OG1 3.3Å; T143-T170 PolarHBondContact OG1-OG1 2.75Å; V166-T170 WeakPolarHBondContact O-CB 3.25Å; V166-T170 PolarHBondContact O-N 2.84Å; V166-T170 PolarHBondContact O-OG1 2.59Å; E167-T170 PolarHBondContact O-N 3.28Å; G168-T170 VanDerWaalsContact C-N 3.27Å; G168-T170 PolarHBondContact O-N 3.27Å; T170-A173 PolarHBondContact O-N 3.43Å; T170-A174 WeakPolarHBondContact O-CB 3.36Å; T170-A174 PolarHBondContact O-N 3.16Å; T170-C184 HydrophobicContact CG2-CB 4.25Å; T170-N185 VanDerWaalsContact CG2-C 3.41Å; T170-C186 HydrophobicContact CG2-CB 4.03Å
171R98.6Very high98Very high109 Ų10950.7 Ų50.741%0.41127%0.273SS..Hα-helixtrans-62.1-43174.6-74.5-172.5-69.3-100.7-0.9112.3E167 G168 A174 K175E167-R171 PolarHBondContact O-N 3.1Å; E167-R171 VanDerWaalsContact O-N 3.11Å; E167-R171 IonicContact OE1-CZ 2.72Å; E167-R171 IonicContact OE1-NH1 2.84Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; G168-R171 PolarHBondContact O-N 3.18Å; R171-A174 PolarHBondContact O-N 3.43Å; R171-K175 PolarHBondContact O-N 3.33Å
172T98.8Very high98Very high73 Ų7348.6 Ų48.645%0.44826%0.256SS..Hα-helixtrans-65.4-46.9177.5-61.60000111G168 L169 A174 K175 E176G168-T172 PolarHBondContact O-N 3.22Å; G168-T172 VanDerWaalsContact O-N 3.08Å; G168-T172 PolarHBondContact O-OG1 3.38Å; L169-T172 PolarHBondContact O-N 3.06Å; T172-A174 VanDerWaalsContact C-N 3.29Å; T172-A174 PolarHBondContact O-N 2.93Å; T172-K175 PolarHBondContact O-N 2.81Å; T172-K175 VanDerWaalsContact O-N 3.13Å; T172-E176 WeakPolarHBondContact CG2-OE1 3.46Å; T172-E176 PolarHBondContact O-N 2.67Å; T172-E176 VanDerWaalsContact O-N 3.07Å
173A98.6Very high98Very high12 Ų1250 Ų5010%0.09926%0.261CS..Hα-helixtrans-58.8-40.2176.200000111.8T124 L169 T170 K175 E176 L177 C184T124-A173 HydrophobicContact CG2-CB 4.35Å; L169-A173 WeakPolarHBondContact O-CB 3.35Å; L169-A173 PolarHBondContact O-N 3.36Å; T170-A173 PolarHBondContact O-N 3.43Å; A173-K175 PolarHBondContact O-N 3.02Å; A173-E176 PolarHBondContact O-N 2.81Å; A173-L177 HydrophobicContact CB-CD1 4.26Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 VanDerWaalsContact O-CG 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.29Å; A173-L177 PolarHBondContact O-N 2.9Å; A173-C184 HydrophobicContact CB-CB 4.31Å
174A98.6Very high98Very high4 Ų449.6 Ų49.63%0.03326%0.26CS..Hα-helixtrans-58.5-46.8175.300000111.9T170 R171 T172 E176 S178 C184 G240T170-A174 WeakPolarHBondContact O-CB 3.36Å; T170-A174 PolarHBondContact O-N 3.16Å; R171-A174 PolarHBondContact O-N 3.43Å; T172-A174 VanDerWaalsContact C-N 3.29Å; T172-A174 PolarHBondContact O-N 2.93Å; A174-E176 VanDerWaalsContact C-N 3.35Å; A174-E176 PolarHBondContact O-N 2.85Å; A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.35Å; A174-S178 PolarHBondContact O-N 3.42Å; A174-S178 VanDerWaalsContact O-N 3.08Å; A174-S178 PolarHBondContact O-OG 3.33Å; A174-C184 HydrophobicContact CB-CB 3.95Å; A174-G240 VanDerWaalsContact CB-CA 3.41Å
175K98.5Very high98Very high179 Ų17947.8 Ų47.878%0.77825%0.245SC*.Hα-helixtrans-60.9-43178-70.6178.1177.9-178.10112.1R171 T172 A173R171-K175 PolarHBondContact O-N 3.33Å; T172-K175 PolarHBondContact O-N 2.81Å; T172-K175 VanDerWaalsContact O-N 3.13Å; A173-K175 PolarHBondContact O-N 3.02Å
176E98Very high98Very high107 Ų10746.7 Ų46.750%0.523%0.233SC..Hα-helixtrans-77.4-34.9-175.7-69.8-177.6-162.200113.8T172 A173 A174 R179T172-E176 WeakPolarHBondContact CG2-OE1 3.46Å; T172-E176 PolarHBondContact O-N 2.67Å; T172-E176 VanDerWaalsContact O-N 3.07Å; A173-E176 PolarHBondContact O-N 2.81Å; A174-E176 VanDerWaalsContact C-N 3.35Å; A174-E176 PolarHBondContact O-N 2.85Å; E176-R179 WeakPolarHBondContact O-CG 3.35Å; E176-R179 PolarHBondContact O-NE 2.87Å
177L97.8Very high98Very high22 Ų2246.7 Ų46.712%0.11523%0.233CC..Hα-helixtrans-96.1-15.7-171-59.7177.7000113.7A128 I141 A173 R179 F180 G181 I182A128-L177 HydrophobicContact CB-CD1 3.64Å; A128-L177 HydrophobicContact CB-CD2 3.93Å; A128-L177 HydrophobicContact CB-CG 4.47Å; I141-L177 HydrophobicContact CD1-CD1 4.26Å; A173-L177 HydrophobicContact CB-CD1 4.26Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 VanDerWaalsContact O-CG 3.25Å; A173-L177 WeakPolarHBondContact O-CG 3.29Å; A173-L177 PolarHBondContact O-N 2.9Å; L177-R179 PolarHBondContact O-N 3.44Å; L177-F180 HydrophobicContact CD2-CD2 4.23Å; L177-F180 WeakPolarHBondContact O-CA 3.43Å; L177-F180 WeakPolarHBondContact O-CB 3.49Å; L177-F180 PolarHBondContact O-N 3.45Å; L177-G181 PolarHBondContact O-N 3.07Å; L177-I182 CarbonylContact C-O 3.53Å; L177-I182 HydrophobicContact CB-CB 4.02Å; L177-I182 HydrophobicContact CB-CG2 4.3Å; L177-I182 HydrophobicContact CD1-CG2 4.33Å; L177-I182 PolarHBondContact O-N 3.13Å
178S96.6Very high98Very high52 Ų5245.9 Ų45.936%0.36423%0.23SC..G310 helixtrans-59.6-32.1178.2-69.20000113.2A174 F180 G181A174-S178 VanDerWaalsContact O-CB 3.26Å; A174-S178 WeakPolarHBondContact O-CB 3.35Å; A174-S178 PolarHBondContact O-N 3.42Å; A174-S178 VanDerWaalsContact O-N 3.08Å; A174-S178 PolarHBondContact O-OG 3.33Å; S178-F180 PolarHBondContact O-N 3.32Å; S178-G181 PolarHBondContact O-N 3.46Å
179R94.9Very high97.9Very high190 Ų19045.2 Ų45.272%0.71722%0.221SC*.G310 helixtrans-62.3-20.5174.367.2-178.4144-178.8-4.4113.7E176 L177E176-R179 WeakPolarHBondContact O-CG 3.35Å; E176-R179 PolarHBondContact O-NE 2.87Å; L177-R179 PolarHBondContact O-N 3.44Å
180F96.2Very high97.8Very high78 Ų7844 Ų4434%0.34222%0.218SC..G310 helixtrans-94.4-4.6173.5-54.4-70.8000111.5V132 P137 L177 S178 I182V132-F180 HydrophobicContact CG1-CD1 4.21Å; V132-F180 HydrophobicContact CG1-CE1 4.11Å; V132-F180 HydrophobicContact CG2-CB 4.12Å; V132-F180 HydrophobicContact CG2-CD1 4.03Å; V132-F180 HydrophobicContact CG2-CD2 3.9Å; V132-F180 HydrophobicContact CG2-CE1 4.44Å; V132-F180 HydrophobicContact CG2-CE2 4.34Å; V132-F180 HydrophobicContact CG2-CG 3.75Å; P137-F180 HydrophobicContact CB-CB 4.34Å; P137-F180 WeakPolarHBondContact CB-O 3.49Å; P137-F180 WeakPolarHBondContact CG-O 3.48Å; L177-F180 HydrophobicContact CD2-CD2 4.23Å; L177-F180 WeakPolarHBondContact O-CA 3.43Å; L177-F180 WeakPolarHBondContact O-CB 3.49Å; L177-F180 PolarHBondContact O-N 3.45Å; S178-F180 PolarHBondContact O-N 3.32Å; F180-I182 HydrophobicContact CB-CD1 4.35Å; F180-I182 HydrophobicContact CB-CG1 4.39Å
181G95.5Very high97.5Very high41 Ų4145.7 Ų45.742%0.42323%0.225SC..THydrogen-bonded Turntrans78.920.6-174.400000113.9L177 S178L177-G181 PolarHBondContact O-N 3.07Å; S178-G181 PolarHBondContact O-N 3.46Å
182I98.1Very high97.3Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-98.7123.1171.6-57.8170.2000108.2L131 V132 P137 G139 I141 L177 F180L131-I182 HydrophobicContact CB-CD1 3.87Å; L131-I182 HydrophobicContact CD1-CD1 4.15Å; L131-I182 HydrophobicContact CD1-CG1 4.42Å; V132-I182 HydrophobicContact CG2-CD1 4.09Å; P137-I182 HydrophobicContact CB-CG1 4.35Å; G139-I182 WeakPolarHBondContact O-CA 3.49Å; I141-I182 HydrophobicContact CD1-CG2 3.98Å; I141-I182 HydrophobicContact CG1-CG2 4.09Å; L177-I182 CarbonylContact C-O 3.53Å; L177-I182 HydrophobicContact CB-CB 4.02Å; L177-I182 HydrophobicContact CB-CG2 4.3Å; L177-I182 HydrophobicContact CD1-CG2 4.33Å; L177-I182 PolarHBondContact O-N 3.13Å; F180-I182 HydrophobicContact CB-CD1 4.35Å; F180-I182 HydrophobicContact CB-CG1 4.39Å
183R98.5Very high96.9Very high29 Ų2940.8 Ų40.811%0.10921%0.207CC..EExtended strand (participates in β ladder)trans-91.9140.9176.8-58.8-178.8-60.2105-1.8109.9G139 S140 I141 L230 S232 S235 I238 T239G139-R183 PolarHBondContact O-N 3.13Å; S140-R183 WeakPolarHBondContact CA-O 3.05Å; I141-R183 PolarHBondContact N-O 3.2Å; R183-L230 PolarHBondContact NH1-O 2.92Å; R183-L230 PolarHBondContact NH2-O 3.5Å; R183-S232 PolarHBondContact NH2-O 3.03Å; R183-S232 VanDerWaalsContact NH2-O 3.1Å; R183-S235 PolarHBondContact NH1-O 3.32Å; R183-S235 PolarHBondContact NH1-OG 2.8Å; R183-S235 PolarHBondContact NH2-OG 3.26Å; R183-S235 VanDerWaalsContact NH2-OG 3.14Å; R183-I238 WeakPolarHBondContact CD-O 3.48Å; R183-I238 PolarHBondContact NH1-O 2.87Å; R183-T239 WeakPolarHBondContact CA-OG1 3.28Å
184C98.8Very high96.3Very high2 Ų241.2 Ų41.21%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-129121.1176.9-59.20000109.8I141 T170 A173 A174 T239 G240I141-C184 CarbonylContact O-C 3.55Å; I141-C184 VanDerWaalsContact O-CA 3.24Å; I141-C184 WeakPolarHBondContact O-CA 3.29Å; T170-C184 HydrophobicContact CG2-CB 4.25Å; A173-C184 HydrophobicContact CB-CB 4.31Å; A174-C184 HydrophobicContact CB-CB 3.95Å; C184-T239 PolarHBondContact N-OG1 3.45Å; C184-T239 VanDerWaalsContact N-OG1 3.16Å; C184-G240 WeakPolarHBondContact O-CA 3.35Å; C184-G240 PolarHBondContact O-N 3.49Å
185N98.9Very high95.6Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-136.9151-178.7-62.3-66.3000111.4I141 I142 T143 T170 L230 I238 T239 G240 T241I141-N185 PolarHBondContact O-N 3.46Å; I142-N185 VanDerWaalsContact CA-O 3.29Å; I142-N185 WeakPolarHBondContact CA-O 3.43Å; T143-N185 PolarHBondContact N-O 3.12Å; T143-N185 PolarHBondContact OG1-O 3.04Å; T170-N185 VanDerWaalsContact CG2-C 3.41Å; N185-L230 HydrophobicContact CB-CD1 4.02Å; N185-L230 HydrophobicContact CB-CD2 4.03Å; N185-I238 PolarHBondContact ND2-O 2.83Å; N185-T239 VanDerWaalsContact OD1-C 3.3Å; N185-T239 WeakPolarHBondContact OD1-CA 3.43Å; N185-T239 PolarHBondContact OD1-N 3.29Å; N185-G240 PolarHBondContact OD1-N 2.84Å; N185-T241 HydrophobicContact CB-CG2 4.4Å; N185-T241 WeakPolarHBondContact OD1-CG2 3.2Å; N185-T241 PolarHBondContact OD1-N 3.13Å
186C98.8Very high94.4Very high0 Ų040.5 Ų40.50%021%0.214CC..EExtended strand (participates in β ladder)trans-107.8138.2179.2-167.90000109.3T143 E167 T170 L188 T241 S242 I243T143-C186 WeakPolarHBondContact O-CA 3.25Å; E167-C186 HydrophobicContact CG-CB 4.43Å; T170-C186 HydrophobicContact CG2-CB 4.03Å; C186-L188 HydrophobicContact CB-CD1 3.99Å; C186-T241 PolarHBondContact N-O 3.03Å; C186-S242 CarbonylContact O-C 3.23Å; C186-S242 WeakPolarHBondContact O-CA 3.34Å; C186-I243 PolarHBondContact O-N 2.84Å
187V98.8Very high93.3Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-109.7132169.1179.80000107.9I142 T143 L144 G145 P189 V223 V226 L230 I243 V245I142-V187 HydrophobicContact CG2-CG2 3.96Å; T143-V187 PolarHBondContact O-N 2.81Å; L144-V187 HydrophobicContact CD1-CB 4.21Å; L144-V187 HydrophobicContact CD1-CG1 4.44Å; G145-V187 WeakPolarHBondContact CA-O 3.19Å; G145-V187 PolarHBondContact N-O 2.66Å; V187-P189 VanDerWaalsContact O-CD 3.29Å; V187-P189 WeakPolarHBondContact O-CD 3.47Å; V187-V223 HydrophobicContact CG1-CG1 3.93Å; V187-V226 HydrophobicContact CG1-CG1 4.38Å; V187-V226 HydrophobicContact CG2-CG1 3.92Å; V187-L230 HydrophobicContact CG2-CD1 3.49Å; V187-L230 VanDerWaalsContact CG2-CD1 3.49Å; V187-I243 CarbonylContact C-O 3.57Å; V187-I243 WeakPolarHBondContact CA-O 3.3Å; V187-V245 HydrophobicContact CG1-CG2 3.71Å
188L98Very high92.2Very high1 Ų141.1 Ų41.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-116.787.3-174.5-70.872.8000108.6K150 C186 S242 I243 E244 V245K150-L188 HydrophobicContact CD-CD2 3.7Å; K150-L188 VanDerWaalsContact CE-CD2 3.44Å; K150-L188 HydrophobicContact CG-CD2 3.92Å; C186-L188 HydrophobicContact CB-CD1 3.99Å; L188-S242 VanDerWaalsContact CD1-CB 3.5Å; L188-I243 PolarHBondContact N-O 3.12Å; L188-E244 HydrophobicContact CB-CG 4.17Å; L188-E244 HydrophobicContact CD2-CG 4.38Å; L188-V245 PolarHBondContact O-N 3.35Å
189P97.6Very high91.2Very high9 Ų947.4 Ų47.46%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-66146.7175.3-19.232.3000111.8I17 L144 I147 V187 I192 V223 V245I17-P189 HydrophobicContact CD1-CB 4.29Å; I17-P189 HydrophobicContact CD1-CG 4.04Å; L144-P189 HydrophobicContact CD1-CG 4.1Å; I147-P189 PolarHBondContact N-O 2.67Å; V187-P189 VanDerWaalsContact O-CD 3.29Å; V187-P189 WeakPolarHBondContact O-CD 3.47Å; P189-I192 HydrophobicContact CB-CD1 4.28Å; P189-I192 HydrophobicContact CB-CG1 3.68Å; P189-V223 HydrophobicContact CB-CG2 4.06Å; P189-V223 HydrophobicContact CG-CG1 3.95Å; P189-V223 HydrophobicContact CG-CG2 4.12Å; P189-V245 WeakPolarHBondContact CA-O 3.21Å
190G95Very high90.3Very high13 Ų1340.2 Ų40.213%0.13422%0.223CC..  trans-84.6-139.6163.500000111.6I192 V245G190-I192 PolarHBondContact O-N 3.46Å; G190-V245 PolarHBondContact N-O 3.15Å
191F93.1Very high89.8Confident38 Ų3840.5 Ų40.517%0.16723%0.232CC..SBendtrans-75.9110.3173-60.2-44.6000110.7M208 V212 M217 G218 L249F191-M208 HydrophobicContact CD1-CE 4.36Å; F191-M208 HydrophobicContact CD1-SD 4.18Å; F191-M208 HydrophobicContact CD2-CB 3.74Å; F191-M208 HydrophobicContact CD2-CG 4.04Å; F191-M208 HydrophobicContact CE1-CE 3.92Å; F191-M208 HydrophobicContact CE1-CG 4.31Å; F191-M208 HydrophobicContact CE1-SD 4.21Å; F191-M208 HydrophobicContact CE2-CB 3.83Å; F191-M208 HydrophobicContact CE2-CG 3.77Å; F191-M208 HydrophobicContact CG-CB 4.32Å; F191-M208 HydrophobicContact CG-CG 4.43Å; F191-M208 HydrophobicContact CG-SD 4.38Å; F191-M208 HydrophobicContact CZ-CB 4.48Å; F191-M208 HydrophobicContact CZ-CE 4.24Å; F191-M208 HydrophobicContact CZ-CG 3.92Å; F191-M208 HydrophobicContact CZ-SD 4.42Å; F191-V212 HydrophobicContact CD2-CG2 4.09Å; F191-M217 HydrophobicContact CB-CE 4.17Å; F191-M217 HydrophobicContact CB-CG 4.13Å; F191-M217 WeakPolarHBondContact O-CA 3.49Å; F191-G218 PolarHBondContact O-N 3.48Å; F191-L249 HydrophobicContact CD1-CD2 4.5Å; F191-L249 HydrophobicContact CD2-CD1 4.4Å; F191-L249 HydrophobicContact CD2-CD2 3.51Å; F191-L249 HydrophobicContact CE1-CD2 4.45Å; F191-L249 HydrophobicContact CE2-CD1 4Å; F191-L249 HydrophobicContact CE2-CD2 3.45Å; F191-L249 VanDerWaalsContact CE2-CD2 3.45Å; F191-L249 HydrophobicContact CE2-CG 4.39Å; F191-L249 HydrophobicContact CG-CD2 4.05Å; F191-L249 HydrophobicContact CZ-CD2 3.95Å
192I94.6Very high89.3Confident10 Ų1046 Ų465%0.05125%0.247CC..BIsolated β-bridgetrans-115.2133.3179.4-52.8-57.8000109.5I17 P189 G190 T194 T197 G218 P220 V223I17-I192 HydrophobicContact CD1-CB 4.35Å; I17-I192 HydrophobicContact CD1-CG1 4.24Å; I17-I192 HydrophobicContact CD1-CG2 4.31Å; I17-I192 HydrophobicContact CG1-CG2 4.16Å; P189-I192 HydrophobicContact CB-CD1 4.28Å; P189-I192 HydrophobicContact CB-CG1 3.68Å; G190-I192 PolarHBondContact O-N 3.46Å; I192-T194 HydrophobicContact CB-CG2 4.37Å; I192-T194 HydrophobicContact CG2-CG2 3.93Å; I192-T194 PolarHBondContact O-N 2.74Å; I192-T194 VanDerWaalsContact O-N 3.13Å; I192-T197 VanDerWaalsContact O-CG2 3.31Å; I192-T197 WeakPolarHBondContact O-CG2 3.4Å; I192-G218 CarbonylContact C-O 3.58Å; I192-G218 VanDerWaalsContact CA-O 3.29Å; I192-G218 WeakPolarHBondContact CA-O 3.47Å; I192-G218 WeakPolarHBondContact CG2-O 3.4Å; I192-P220 HydrophobicContact CG2-CB 4.43Å; I192-P220 HydrophobicContact CG2-CG 3.9Å; I192-V223 HydrophobicContact CD1-CG2 3.73Å; I192-V223 HydrophobicContact CG1-CG2 3.88Å
193T90.1Very high88.8Confident70 Ų7054.9 Ų54.943%0.42929%0.286SS..  trans-69.5107.1176.5-57.50000109.9G218 P220T193-G218 PolarHBondContact N-O 2.92Å; T193-P220 WeakPolarHBondContact O-CD 3.33Å; T193-P220 WeakPolarHBondContact O-CG 3.4Å
194T86.4Confident88.1Confident21 Ų2156.5 Ų56.513%0.12930%0.298CS..SBendtrans-141.5168.9-179.459.20000109.5I17 I192 M196 T197 D198 P220I17-T194 HydrophobicContact CG1-CG2 4.08Å; I192-T194 HydrophobicContact CB-CG2 4.37Å; I192-T194 HydrophobicContact CG2-CG2 3.93Å; I192-T194 PolarHBondContact O-N 2.74Å; I192-T194 VanDerWaalsContact O-N 3.13Å; T194-M196 PolarHBondContact O-N 3Å; T194-M196 PolarHBondContact OG1-N 3.24Å; T194-T197 PolarHBondContact N-OG1 2.86Å; T194-T197 PolarHBondContact O-N 3.34Å; T194-T197 PolarHBondContact O-OG1 3.47Å; T194-D198 PolarHBondContact O-N 3.32Å; T194-P220 HydrophobicContact CG2-CG 3.94Å
195P82.9Confident87.4Confident74 Ų7458.2 Ų58.248%0.48131%0.307SS..G310 helixtrans-52.1-30.4172.2-29.337.1000114.1T197 D198P195-T197 PolarHBondContact O-N 2.87Å; P195-D198 WeakPolarHBondContact CA-OD2 3.37Å; P195-D198 PolarHBondContact O-N 3.05Å
196M73.3Confident86.8Confident93 Ų9362.4 Ų62.446%0.45833%0.333SS..G310 helixtrans-64.5-23.9175.6-174179.9-72.800113.3T96 T194T96-M196 HydrophobicContact CG2-CE 4.29Å; T96-M196 HydrophobicContact CG2-SD 3.87Å; T194-M196 PolarHBondContact O-N 3Å; T194-M196 PolarHBondContact OG1-N 3.24Å
197T75.6Confident86.3Confident23 Ų2369.3 Ų69.314%0.14136%0.363CS..G310 helixtrans-95-8.1178.556.70000113.8I192 T194 P195 E199 V200 M217I192-T197 VanDerWaalsContact O-CG2 3.31Å; I192-T197 WeakPolarHBondContact O-CG2 3.4Å; T194-T197 PolarHBondContact N-OG1 2.86Å; T194-T197 PolarHBondContact O-N 3.34Å; T194-T197 PolarHBondContact O-OG1 3.47Å; P195-T197 PolarHBondContact O-N 2.87Å; T197-E199 PolarHBondContact O-N 2.7Å; T197-V200 WeakPolarHBondContact O-CB 3.47Å; T197-V200 WeakPolarHBondContact O-CG2 3.48Å; T197-V200 PolarHBondContact O-N 3.45Å; T197-M217 HydrophobicContact CG2-CE 3.9Å
198D75.4Confident85.7Confident120 Ų12071 Ų7164%0.64237%0.371SS*.THydrogen-bonded Turntrans-69.7-23.9-177.1-67.9-14.1000112.2T194 P195 V200T194-D198 PolarHBondContact O-N 3.32Å; P195-D198 WeakPolarHBondContact CA-OD2 3.37Å; P195-D198 PolarHBondContact O-N 3.05Å; D198-V200 VanDerWaalsContact C-N 3.27Å; D198-V200 PolarHBondContact O-N 3.23Å
199E74.1Confident85.2Confident184 Ų18475.4 Ų75.486%0.8639%0.39SS*.THydrogen-bonded Turntrans-80.9-5.6176.7-59.4-174.6169.700113.1T197T197-E199 PolarHBondContact O-N 2.7Å
200V76.8Confident84.9Confident38 Ų3879.3 Ų79.323%0.2342%0.418CS..SBendtrans-81.4127.4-176-179.80000110.3T197 D198 V204 L205 M208T197-V200 WeakPolarHBondContact O-CB 3.47Å; T197-V200 WeakPolarHBondContact O-CG2 3.48Å; T197-V200 PolarHBondContact O-N 3.45Å; D198-V200 VanDerWaalsContact C-N 3.27Å; D198-V200 PolarHBondContact O-N 3.23Å; V200-V204 HydrophobicContact CG1-CB 3.64Å; V200-V204 HydrophobicContact CG1-CG1 3.54Å; V200-L205 HydrophobicContact CB-CD2 3.92Å; V200-L205 HydrophobicContact CB-CG 4.17Å; V200-L205 HydrophobicContact CG1-CD2 3.88Å; V200-L205 HydrophobicContact CG1-CG 3.98Å; V200-M208 HydrophobicContact CG1-SD 4.41Å
201P85.3Confident84.6Confident84 Ų8483 Ų8355%0.54543%0.434SS..  trans-57.6143179.2-25.533.7000113.1K203 V204 L205P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 2.9Å; P201-K203 VanDerWaalsContact O-N 3.13Å; P201-V204 HydrophobicContact CB-CG2 4.27Å; P201-V204 HydrophobicContact CG-CG2 4.45Å; P201-V204 WeakPolarHBondContact O-CA 3.35Å; P201-V204 WeakPolarHBondContact O-CB 3.29Å; P201-V204 PolarHBondContact O-N 2.62Å; P201-L205 PolarHBondContact O-N 3.36Å
202E85.9Confident84.7Confident158 Ų15881.6 Ų81.674%0.73843%0.428SS*.Hα-helixtrans-53.7-40.4-176-174.1178.2-164.800113.4V204 L205 V206E202-V204 PolarHBondContact O-N 2.9Å; E202-L205 WeakPolarHBondContact O-CB 3.31Å; E202-L205 PolarHBondContact O-N 3.06Å; E202-L205 VanDerWaalsContact O-N 3.12Å; E202-V206 WeakPolarHBondContact O-CG2 3.39Å; E202-V206 PolarHBondContact O-N 3.48Å
203K86.5Confident84.7Confident186 Ų18684.8 Ų84.881%0.80945%0.45SS*.Hα-helixtrans-59.2-36.6176.1-67.1-174.7-179.5179.30112.5P201 K207P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 2.9Å; P201-K203 VanDerWaalsContact O-N 3.13Å; K203-K207 PolarHBondContact O-N 3.13Å
204V84.4Confident85Confident62 Ų6287.2 Ų87.238%0.37646%0.46SS..Hα-helixtrans-72.9-41176.6-1800000109.9V200 P201 E202 V206 K207 M208V200-V204 HydrophobicContact CG1-CB 3.64Å; V200-V204 HydrophobicContact CG1-CG1 3.54Å; P201-V204 HydrophobicContact CB-CG2 4.27Å; P201-V204 HydrophobicContact CG-CG2 4.45Å; P201-V204 WeakPolarHBondContact O-CA 3.35Å; P201-V204 WeakPolarHBondContact O-CB 3.29Å; P201-V204 PolarHBondContact O-N 2.62Å; E202-V204 PolarHBondContact O-N 2.9Å; V204-V206 PolarHBondContact O-N 3.19Å; V204-K207 PolarHBondContact O-N 3.16Å; V204-M208 HydrophobicContact CG1-CE 3.92Å; V204-M208 HydrophobicContact CG1-CG 4.37Å; V204-M208 HydrophobicContact CG1-SD 4.23Å; V204-M208 WeakPolarHBondContact O-CB 3.32Å; V204-M208 WeakPolarHBondContact O-CG 3.15Å; V204-M208 PolarHBondContact O-N 3.46Å
205L83.6Confident85.4Confident38 Ų3888.8 Ų88.820%0.19948%0.48CS..Hα-helixtrans-60.2-43.1174.7-67.5175.6000112.4V200 P201 E202 K207 M208 K209 M217V200-L205 HydrophobicContact CB-CD2 3.92Å; V200-L205 HydrophobicContact CB-CG 4.17Å; V200-L205 HydrophobicContact CG1-CD2 3.88Å; V200-L205 HydrophobicContact CG1-CG 3.98Å; P201-L205 PolarHBondContact O-N 3.36Å; E202-L205 WeakPolarHBondContact O-CB 3.31Å; E202-L205 PolarHBondContact O-N 3.06Å; E202-L205 VanDerWaalsContact O-N 3.12Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-M208 HydrophobicContact CD2-SD 4.49Å; L205-M208 PolarHBondContact O-N 3.15Å; L205-K209 VanDerWaalsContact O-CG 3.31Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 3.21Å; L205-M217 HydrophobicContact CD2-CE 4.28Å; L205-M217 HydrophobicContact CD2-SD 3.9Å
206V87.4Confident85.9Confident89 Ų8990.6 Ų90.654%0.53948%0.477SS..Hα-helixtrans-61.2-44.9175.5171.90000110.7E202 V204 K209 S210E202-V206 WeakPolarHBondContact O-CG2 3.39Å; E202-V206 PolarHBondContact O-N 3.48Å; V204-V206 PolarHBondContact O-N 3.19Å; V206-K209 PolarHBondContact O-N 3.18Å; V206-S210 PolarHBondContact O-N 3.26Å
207K87.3Confident86.9Confident144 Ų14486.8 Ų86.863%0.62646%0.458SS*.Hα-helixtrans-61.9-46.4175.9-172.4179.2179.6-177.40111.5K203 V204 L205 K209 S210 L211K203-K207 PolarHBondContact O-N 3.13Å; V204-K207 PolarHBondContact O-N 3.16Å; L205-K207 VanDerWaalsContact C-N 3.34Å; K207-K209 PolarHBondContact O-N 2.89Å; K207-S210 PolarHBondContact O-N 3.38Å; K207-S210 VanDerWaalsContact O-N 3.16Å; K207-S210 PolarHBondContact O-OG 3.18Å; K207-L211 WeakPolarHBondContact O-CG 3.14Å; K207-L211 PolarHBondContact O-N 2.99Å
208M86.1Confident87.8Confident37 Ų3786.3 Ų86.318%0.18246%0.458CS..Hα-helixtrans-56.6-47.6176.5-75.8177167.500111.6F191 V200 V204 L205 S210 L211 V212F191-M208 HydrophobicContact CD1-CE 4.36Å; F191-M208 HydrophobicContact CD1-SD 4.18Å; F191-M208 HydrophobicContact CD2-CB 3.74Å; F191-M208 HydrophobicContact CD2-CG 4.04Å; F191-M208 HydrophobicContact CE1-CE 3.92Å; F191-M208 HydrophobicContact CE1-CG 4.31Å; F191-M208 HydrophobicContact CE1-SD 4.21Å; F191-M208 HydrophobicContact CE2-CB 3.83Å; F191-M208 HydrophobicContact CE2-CG 3.77Å; F191-M208 HydrophobicContact CG-CB 4.32Å; F191-M208 HydrophobicContact CG-CG 4.43Å; F191-M208 HydrophobicContact CG-SD 4.38Å; F191-M208 HydrophobicContact CZ-CB 4.48Å; F191-M208 HydrophobicContact CZ-CE 4.24Å; F191-M208 HydrophobicContact CZ-CG 3.92Å; F191-M208 HydrophobicContact CZ-SD 4.42Å; V200-M208 HydrophobicContact CG1-SD 4.41Å; V204-M208 HydrophobicContact CG1-CE 3.92Å; V204-M208 HydrophobicContact CG1-CG 4.37Å; V204-M208 HydrophobicContact CG1-SD 4.23Å; V204-M208 WeakPolarHBondContact O-CB 3.32Å; V204-M208 WeakPolarHBondContact O-CG 3.15Å; V204-M208 PolarHBondContact O-N 3.46Å; L205-M208 HydrophobicContact CD2-SD 4.49Å; L205-M208 PolarHBondContact O-N 3.15Å; M208-S210 VanDerWaalsContact C-N 3.3Å; M208-S210 PolarHBondContact O-N 3.14Å; M208-L211 WeakPolarHBondContact O-CB 3.2Å; M208-L211 PolarHBondContact O-N 2.72Å; M208-L211 VanDerWaalsContact O-N 3.1Å; M208-V212 PolarHBondContact O-N 3.11Å
209K88.1Confident88.8Confident92 Ų9284.6 Ų84.640%0.445%0.448SS..Hα-helixtrans-57.8-41.3176.4-71.5171.9-174.3178.90112.2L205 V206 K207 L211 V212 M217L205-K209 VanDerWaalsContact O-CG 3.31Å; L205-K209 WeakPolarHBondContact O-CG 3.32Å; L205-K209 PolarHBondContact O-N 3.21Å; V206-K209 PolarHBondContact O-N 3.18Å; K207-K209 PolarHBondContact O-N 2.89Å; K209-L211 PolarHBondContact O-N 3.31Å; K209-V212 PolarHBondContact O-N 3.29Å; K209-V212 VanDerWaalsContact O-N 3.12Å; K209-M217 HydrophobicContact CG-CG 4.05Å
210S90.4Very high90Very high92 Ų9276.6 Ų76.664%0.64341%0.412SS*.Hα-helixtrans-65.9-21.817974.90000114.2V206 K207 M208V206-S210 PolarHBondContact O-N 3.26Å; K207-S210 PolarHBondContact O-N 3.38Å; K207-S210 VanDerWaalsContact O-N 3.16Å; K207-S210 PolarHBondContact O-OG 3.18Å; M208-S210 VanDerWaalsContact C-N 3.3Å; M208-S210 PolarHBondContact O-N 3.14Å
211L90.4Very high91Very high91 Ų9176.9 Ų76.948%0.47642%0.419SS..Hα-helixtrans-83.2-17.3176-62.9175.1000112.7K207 M208 K209 P213 L249K207-L211 WeakPolarHBondContact O-CG 3.14Å; K207-L211 PolarHBondContact O-N 2.99Å; M208-L211 WeakPolarHBondContact O-CB 3.2Å; M208-L211 PolarHBondContact O-N 2.72Å; M208-L211 VanDerWaalsContact O-N 3.1Å; K209-L211 PolarHBondContact O-N 3.31Å; L211-P213 WeakPolarHBondContact O-CD 3.35Å; L211-L249 HydrophobicContact CB-CD1 3.62Å; L211-L249 WeakPolarHBondContact O-CD1 3.47Å
212V94.6Very high91.6Very high7 Ų776 Ų764%0.04241%0.408CS..SBendtrans-87.9118.5179-174.50000108.8F191 M208 K209 L214 G215 R216 G247 L249F191-V212 HydrophobicContact CD2-CG2 4.09Å; M208-V212 PolarHBondContact O-N 3.11Å; K209-V212 PolarHBondContact O-N 3.29Å; K209-V212 VanDerWaalsContact O-N 3.12Å; V212-L214 VanDerWaalsContact C-N 3.27Å; V212-L214 HydrophobicContact CG1-CB 4.39Å; V212-L214 PolarHBondContact O-N 3.08Å; V212-G215 WeakPolarHBondContact O-CA 3.5Å; V212-G215 PolarHBondContact O-N 3.32Å; V212-R216 VanDerWaalsContact CG1-O 3.28Å; V212-R216 WeakPolarHBondContact CG1-O 3.34Å; V212-G247 WeakPolarHBondContact CG1-O 3.24Å; V212-L249 HydrophobicContact CG2-CB 4.3Å; V212-L249 HydrophobicContact CG2-CD1 4.27Å
213P95.4Very high92.2Very high78 Ų7868.5 Ų68.551%0.50637%0.373SS..THydrogen-bonded Turntrans-55.6-34.4178.7-30.837.2000115.3L211 G215 G247 G248 M251L211-P213 WeakPolarHBondContact O-CD 3.35Å; P213-G215 PolarHBondContact O-N 3.31Å; P213-G215 VanDerWaalsContact O-N 3.16Å; P213-G247 VanDerWaalsContact CD-O 3.28Å; P213-G247 WeakPolarHBondContact CD-O 3.4Å; P213-G248 VanDerWaalsContact CD-O 3.29Å; P213-G248 WeakPolarHBondContact CD-O 3.4Å; P213-G248 VanDerWaalsContact CG-O 3.25Å; P213-G248 WeakPolarHBondContact CG-O 3.45Å; P213-M251 HydrophobicContact CB-CE 4.41Å; P213-M251 HydrophobicContact CG-CE 3.74Å
214L95.9Very high92.8Very high121 Ų12159.7 Ų59.763%0.63433%0.334SS*.THydrogen-bonded Turntrans-711.5172.6-67.3-173.3000114.1V212 R216 G247V212-L214 VanDerWaalsContact C-N 3.27Å; V212-L214 HydrophobicContact CG1-CB 4.39Å; V212-L214 PolarHBondContact O-N 3.08Å; L214-R216 VanDerWaalsContact C-N 3.25Å; L214-R216 PolarHBondContact O-N 3.35Å; L214-G247 WeakPolarHBondContact CG-O 3.39Å; L214-G247 PolarHBondContact N-O 2.89Å; L214-G247 VanDerWaalsContact N-O 3.11Å
215G93.4Very high93.5Very high53 Ų5360 Ų6055%0.54633%0.334SS..SBendtrans73.77.7171.600000115.4V212 P213V212-G215 WeakPolarHBondContact O-CA 3.5Å; V212-G215 PolarHBondContact O-N 3.32Å; P213-G215 PolarHBondContact O-N 3.31Å; P213-G215 VanDerWaalsContact O-N 3.16Å
216R94.2Very high94.2Very high112 Ų11259.7 Ų59.742%0.42333%0.334SS..SBendtrans-150162.7-178.664.1171.1-179.883.3-2.1112.4V212 L214 E222V212-R216 VanDerWaalsContact CG1-O 3.28Å; V212-R216 WeakPolarHBondContact CG1-O 3.34Å; L214-R216 VanDerWaalsContact C-N 3.25Å; L214-R216 PolarHBondContact O-N 3.35Å; R216-E222 IonicContact CZ-OE1 3.8Å; R216-E222 IonicContact CZ-OE2 2.74Å; R216-E222 IonicContact NH1-OE1 2.64Å; R216-E222 PolarHBondContact NH1-OE1 2.83Å; R216-E222 IonicContact NH1-OE2 3.94Å; R216-E222 PolarHBondContact NH1-OE2 2.8Å; R216-E222 IonicContact NH2-OE1 3.71Å; R216-E222 PolarHBondContact NH2-OE1 3.05Å; R216-E222 IonicContact NH2-OE2 2.8Å; R216-E222 PolarHBondContact NH2-OE2 3.22Å
217M93.8Very high94.7Very high14 Ų1455.5 Ų55.57%0.06931%0.308CS..PPolyproline II helixtrans-70.7153164.5-65.6173.972.700110.1F191 T197 L205 K209F191-M217 HydrophobicContact CB-CE 4.17Å; F191-M217 HydrophobicContact CB-CG 4.13Å; F191-M217 WeakPolarHBondContact O-CA 3.49Å; T197-M217 HydrophobicContact CG2-CE 3.9Å; L205-M217 HydrophobicContact CD2-CE 4.28Å; L205-M217 HydrophobicContact CD2-SD 3.9Å; K209-M217 HydrophobicContact CG-CG 4.05Å
218G95.7Very high95.3Very high12 Ų1248.7 Ų48.712%0.12428%0.278CS..BIsolated β-bridgetrans-76.1152.317300000112F191 I192 T193 E222F191-G218 PolarHBondContact O-N 3.48Å; I192-G218 CarbonylContact C-O 3.58Å; I192-G218 VanDerWaalsContact CA-O 3.29Å; I192-G218 WeakPolarHBondContact CA-O 3.47Å; I192-G218 WeakPolarHBondContact CG2-O 3.4Å; T193-G218 PolarHBondContact N-O 2.92Å; G218-E222 VanDerWaalsContact CA-OE2 3.25Å; G218-E222 WeakPolarHBondContact CA-OE2 3.45Å
219D96.4Very high95.9Very high84 Ų8450 Ų5045%0.44928%0.283SS..PPolyproline II helixtrans-87.6145.1168.8-171.5-77.2000110A221 E222D219-A221 PolarHBondContact O-N 3.38Å; D219-A221 VanDerWaalsContact O-N 3.13Å; D219-A221 WeakPolarHBondContact OD1-CB 3.34Å; D219-A221 PolarHBondContact OD1-N 3.48Å; D219-E222 HydrophobicContact CB-CG 4.22Å; D219-E222 PolarHBondContact N-OE2 3.16Å; D219-E222 WeakPolarHBondContact O-CB 3.49Å; D219-E222 PolarHBondContact O-N 2.94Å
220P97.9Very high96.4Very high16 Ų1645.6 Ų45.610%0.10426%0.264CS..Hα-helixtrans-49.6-34.4172.9-31.839.3000114.4I17 A20 I192 T193 T194 E222 V223 A224I17-P220 HydrophobicContact CG1-CB 4.43Å; A20-P220 HydrophobicContact CB-CB 3.52Å; I192-P220 HydrophobicContact CG2-CB 4.43Å; I192-P220 HydrophobicContact CG2-CG 3.9Å; T193-P220 WeakPolarHBondContact O-CD 3.33Å; T193-P220 WeakPolarHBondContact O-CG 3.4Å; T194-P220 HydrophobicContact CG2-CG 3.94Å; P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 PolarHBondContact O-N 3.46Å; P220-V223 PolarHBondContact O-N 3.25Å; P220-A224 PolarHBondContact O-N 2.86Å
221A97.9Very high96.8Very high44 Ų4441.2 Ų41.236%0.36423%0.234SC..Hα-helixtrans-61.7-34.2176.200000112.3D219 V223 A224 D225D219-A221 PolarHBondContact O-N 3.38Å; D219-A221 VanDerWaalsContact O-N 3.13Å; D219-A221 WeakPolarHBondContact OD1-CB 3.34Å; D219-A221 PolarHBondContact OD1-N 3.48Å; A221-V223 VanDerWaalsContact C-N 3.3Å; A221-V223 PolarHBondContact O-N 3.28Å; A221-A224 CarbonylContact O-C 3.56Å; A221-A224 WeakPolarHBondContact O-CA 3.42Å; A221-A224 WeakPolarHBondContact O-CB 3.36Å; A221-A224 PolarHBondContact O-N 2.92Å; A221-A224 VanDerWaalsContact O-N 3.1Å; A221-D225 VanDerWaalsContact O-CG 3.22Å; A221-D225 PolarHBondContact O-N 2.73Å
222E98.4Very high97.1Very high67 Ų6737 Ų3731%0.31321%0.211SC..Hα-helixtrans-69.2-30.9179.6-60.8-179.6105.700112.1R216 G218 D219 P220R216-E222 IonicContact CZ-OE1 3.8Å; R216-E222 IonicContact CZ-OE2 2.74Å; R216-E222 IonicContact NH1-OE1 2.64Å; R216-E222 PolarHBondContact NH1-OE1 2.83Å; R216-E222 IonicContact NH1-OE2 3.94Å; R216-E222 PolarHBondContact NH1-OE2 2.8Å; R216-E222 IonicContact NH2-OE1 3.71Å; R216-E222 PolarHBondContact NH2-OE1 3.05Å; R216-E222 IonicContact NH2-OE2 2.8Å; R216-E222 PolarHBondContact NH2-OE2 3.22Å; G218-E222 VanDerWaalsContact CA-OE2 3.25Å; G218-E222 WeakPolarHBondContact CA-OE2 3.45Å; D219-E222 HydrophobicContact CB-CG 4.22Å; D219-E222 PolarHBondContact N-OE2 3.16Å; D219-E222 WeakPolarHBondContact O-CB 3.49Å; D219-E222 PolarHBondContact O-N 2.94Å; P220-E222 VanDerWaalsContact C-N 3.28Å; P220-E222 PolarHBondContact O-N 3.46Å
223V98.6Very high97.2Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-72.4-42169.4-176.60000110.2I17 L144 V187 P189 I192 P220 A221 D225 V226 C227 V245I17-V223 HydrophobicContact CD1-CG1 4.49Å; I17-V223 HydrophobicContact CD1-CG2 4.29Å; I17-V223 HydrophobicContact CG2-CB 4.09Å; I17-V223 HydrophobicContact CG2-CG1 3.68Å; L144-V223 HydrophobicContact CD1-CG1 3.87Å; V187-V223 HydrophobicContact CG1-CG1 3.93Å; P189-V223 HydrophobicContact CB-CG2 4.06Å; P189-V223 HydrophobicContact CG-CG1 3.95Å; P189-V223 HydrophobicContact CG-CG2 4.12Å; I192-V223 HydrophobicContact CD1-CG2 3.73Å; I192-V223 HydrophobicContact CG1-CG2 3.88Å; P220-V223 PolarHBondContact O-N 3.25Å; A221-V223 VanDerWaalsContact C-N 3.3Å; A221-V223 PolarHBondContact O-N 3.28Å; V223-D225 PolarHBondContact O-N 3.11Å; V223-V226 PolarHBondContact O-N 3.44Å; V223-C227 PolarHBondContact O-N 2.95Å; V223-V245 HydrophobicContact CG2-CB 4.47Å; V223-V245 HydrophobicContact CG2-CG1 4.08Å
224A98.7Very high97.3Very high0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-59.1-35.8178.400000112.8A20 V21 R24 P220 A221 V226 C227 A228A20-A224 HydrophobicContact CB-CB 4.1Å; A20-A224 WeakPolarHBondContact O-CB 3.34Å; V21-A224 HydrophobicContact CB-CB 4.46Å; V21-A224 HydrophobicContact CG2-CB 3.99Å; R24-A224 HydrophobicContact CB-CB 3.81Å; R24-A224 HydrophobicContact CG-CB 4.32Å; P220-A224 PolarHBondContact O-N 2.86Å; A221-A224 CarbonylContact O-C 3.56Å; A221-A224 WeakPolarHBondContact O-CA 3.42Å; A221-A224 WeakPolarHBondContact O-CB 3.36Å; A221-A224 PolarHBondContact O-N 2.92Å; A221-A224 VanDerWaalsContact O-N 3.1Å; A224-V226 PolarHBondContact O-N 3.11Å; A224-C227 PolarHBondContact O-N 3.02Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.94Å
225D98.7Very high97.4Very high70 Ų7035.5 Ų35.537%0.37420%0.2SC..Hα-helixtrans-60.9-43.2177-74.811.9000112.1R24 A221 V223 A228 F229R24-D225 IonicContact CZ-OD1 3.75Å; R24-D225 IonicContact NH1-OD1 3.17Å; R24-D225 PolarHBondContact NH1-OD1 3.15Å; R24-D225 IonicContact NH1-OD2 3.56Å; R24-D225 PolarHBondContact NH1-OD2 3.37Å; A221-D225 VanDerWaalsContact O-CG 3.22Å; A221-D225 PolarHBondContact O-N 2.73Å; V223-D225 PolarHBondContact O-N 3.11Å; D225-A228 PolarHBondContact O-N 3.06Å; D225-F229 PolarHBondContact O-N 3.28Å
226V98.8Very high97.5Very high31 Ų3141.8 Ų41.819%0.18821%0.207CC..Hα-helixtrans-69-41.7175.6178.70000110.9V187 V223 A224 A228 F229 L230 I243 V245V187-V226 HydrophobicContact CG1-CG1 4.38Å; V187-V226 HydrophobicContact CG2-CG1 3.92Å; V223-V226 PolarHBondContact O-N 3.44Å; A224-V226 PolarHBondContact O-N 3.11Å; V226-A228 VanDerWaalsContact C-N 3.32Å; V226-A228 PolarHBondContact O-N 3.36Å; V226-F229 PolarHBondContact O-N 3.26Å; V226-L230 HydrophobicContact CG1-CD1 4.09Å; V226-L230 HydrophobicContact CG1-CG 4.45Å; V226-L230 WeakPolarHBondContact O-CB 3.47Å; V226-L230 WeakPolarHBondContact O-CG 3.37Å; V226-L230 PolarHBondContact O-N 3.16Å; V226-I243 HydrophobicContact CG1-CB 4.28Å; V226-I243 HydrophobicContact CG1-CD1 4.23Å; V226-I243 HydrophobicContact CG1-CG2 3.97Å; V226-V245 HydrophobicContact CB-CG2 4.12Å; V226-V245 HydrophobicContact CG1-CG2 4.27Å; V226-V245 HydrophobicContact CG2-CG2 3.69Å
227C98.8Very high97.7Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-60-41.8173.5-68.30000111.7V21 I142 V223 A224 L230 A231V21-C227 HydrophobicContact CG1-CB 4.26Å; V21-C227 HydrophobicContact CG2-CB 4.02Å; I142-C227 VanDerWaalsContact CD1-O 3.25Å; I142-C227 WeakPolarHBondContact CD1-O 3.37Å; V223-C227 PolarHBondContact O-N 2.95Å; A224-C227 PolarHBondContact O-N 3.02Å; C227-L230 PolarHBondContact O-N 3.5Å; C227-A231 VanDerWaalsContact O-CB 3.29Å; C227-A231 WeakPolarHBondContact O-CB 3.42Å; C227-A231 PolarHBondContact O-N 2.8Å
228A98.7Very high97.9Very high1 Ų149.1 Ų49.11%0.00824%0.239CC..Hα-helixtrans-66.8-40177.800000112.3R24 L25 A224 D225 V226 A231 S232R24-A228 HydrophobicContact CG-CB 3.62Å; L25-A228 HydrophobicContact CD2-CB 4.25Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 2.94Å; D225-A228 PolarHBondContact O-N 3.06Å; V226-A228 VanDerWaalsContact C-N 3.32Å; V226-A228 PolarHBondContact O-N 3.36Å; A228-A231 PolarHBondContact O-N 3.27Å; A228-S232 WeakPolarHBondContact O-CB 3.4Å; A228-S232 PolarHBondContact O-N 3.46Å; A228-S232 VanDerWaalsContact O-N 3.14Å
229F98.8Very high98Very high64 Ų6451.2 Ų51.228%0.28125%0.249SC..Hα-helixtrans-58.1-49.9170.4166.1-109.2000111.4D225 V226 A231 S232 D234 S235 I238D225-F229 PolarHBondContact O-N 3.28Å; V226-F229 PolarHBondContact O-N 3.26Å; F229-A231 VanDerWaalsContact C-N 3.26Å; F229-A231 PolarHBondContact O-N 3.38Å; F229-S232 PolarHBondContact O-N 2.89Å; F229-S232 VanDerWaalsContact O-N 3.14Å; F229-S232 PolarHBondContact O-OG 2.9Å; F229-D234 HydrophobicContact CD2-CB 3.73Å; F229-D234 HydrophobicContact CE2-CB 3.68Å; F229-S235 WeakPolarHBondContact O-CB 3.21Å; F229-S235 PolarHBondContact O-OG 3.47Å; F229-I238 HydrophobicContact CE1-CD1 3.69Å; F229-I238 HydrophobicContact CZ-CD1 3.6Å
230L98.7Very high98.1Very high0 Ų048.4 Ų48.40%024%0.241CC..Hα-helixtrans-65-27.9178.4-70.1173.8000113.1S140 I142 R183 N185 V187 V226 C227 S235 I238 I243S140-L230 PolarHBondContact OG-O 3.1Å; I142-L230 HydrophobicContact CD1-CB 3.76Å; I142-L230 HydrophobicContact CG1-CB 3.86Å; I142-L230 HydrophobicContact CG2-CD1 4.36Å; R183-L230 PolarHBondContact NH1-O 2.92Å; R183-L230 PolarHBondContact NH2-O 3.5Å; N185-L230 HydrophobicContact CB-CD1 4.02Å; N185-L230 HydrophobicContact CB-CD2 4.03Å; V187-L230 HydrophobicContact CG2-CD1 3.49Å; V187-L230 VanDerWaalsContact CG2-CD1 3.49Å; V226-L230 HydrophobicContact CG1-CD1 4.09Å; V226-L230 HydrophobicContact CG1-CG 4.45Å; V226-L230 WeakPolarHBondContact O-CB 3.47Å; V226-L230 WeakPolarHBondContact O-CG 3.37Å; V226-L230 PolarHBondContact O-N 3.16Å; C227-L230 PolarHBondContact O-N 3.5Å; L230-S235 VanDerWaalsContact CA-OG 3.26Å; L230-S235 WeakPolarHBondContact CA-OG 3.39Å; L230-S235 PolarHBondContact O-OG 3.34Å; L230-S235 VanDerWaalsContact O-OG 3.06Å; L230-I238 HydrophobicContact CD2-CG2 4.17Å; L230-I243 HydrophobicContact CD1-CD1 4.12Å; L230-I243 HydrophobicContact CD2-CD1 3.84Å; L230-I243 HydrophobicContact CG-CD1 4.24Å
231A98.4Very high98.1Very high1 Ų150.3 Ų50.31%0.00825%0.252CS..Hα-helixtrans-73.7-28.4175.700000112.7L3 L25 V88 I142 C227 A228 F229L3-A231 HydrophobicContact CD1-CB 4.15Å; L3-A231 HydrophobicContact CD2-CB 4.06Å; L25-A231 HydrophobicContact CD2-CB 3.93Å; V88-A231 HydrophobicContact CG1-CB 3.65Å; V88-A231 HydrophobicContact CG2-CB 4.11Å; I142-A231 HydrophobicContact CD1-CB 4.07Å; C227-A231 VanDerWaalsContact O-CB 3.29Å; C227-A231 WeakPolarHBondContact O-CB 3.42Å; C227-A231 PolarHBondContact O-N 2.8Å; A228-A231 PolarHBondContact O-N 3.27Å; F229-A231 VanDerWaalsContact C-N 3.26Å; F229-A231 PolarHBondContact O-N 3.38Å
232S97.9Very high98.1Very high1 Ų149.4 Ų49.41%0.00724%0.243CC..SBendtrans-87.8171.9-173.476.20000114.4R183 A228 F229 D234 S235R183-S232 PolarHBondContact NH2-O 3.03Å; R183-S232 VanDerWaalsContact NH2-O 3.1Å; A228-S232 WeakPolarHBondContact O-CB 3.4Å; A228-S232 PolarHBondContact O-N 3.46Å; A228-S232 VanDerWaalsContact O-N 3.14Å; F229-S232 PolarHBondContact O-N 2.89Å; F229-S232 VanDerWaalsContact O-N 3.14Å; F229-S232 PolarHBondContact O-OG 2.9Å; S232-D234 PolarHBondContact O-N 3.47Å; S232-D234 WeakPolarHBondContact OG-CB 3.47Å; S232-D234 PolarHBondContact OG-N 3.16Å; S232-S235 PolarHBondContact O-N 3.39Å; S232-S235 PolarHBondContact O-OG 3.05Å; S232-S235 VanDerWaalsContact O-OG 3.05Å
233D96.3Very high98.1Very high85 Ų8548.3 Ų48.346%0.45524%0.239SC..G310 helixtrans-74.7-6.4174.9-66.4-25.3000113.3R6 S235 R236R6-D233 IonicContact NH2-OD1 2.66Å; R6-D233 PolarHBondContact NH2-OD1 3.16Å; R6-D233 VanDerWaalsContact NH2-OD1 3.1Å; R6-D233 IonicContact NH2-OD2 3.5Å; D233-S235 PolarHBondContact O-N 2.95Å; D233-R236 VanDerWaalsContact O-CB 3.31Å; D233-R236 WeakPolarHBondContact O-CB 3.45Å; D233-R236 WeakPolarHBondContact O-CG 3.2Å; D233-R236 PolarHBondContact O-N 3.36Å; D233-R236 PolarHBondContact O-NH1 2.91Å; D233-R236 VanDerWaalsContact O-NH1 3.14Å
234D97.8Very high98.1Very high89 Ų8951.3 Ų51.348%0.47625%0.253SS..G310 helixtrans-63.4-26.2171.3-61.2-19.7000111.3R2 F229 S232R2-D234 WeakPolarHBondContact CD-OD2 3.26Å; R2-D234 IonicContact NH1-OD2 3.46Å; R2-D234 PolarHBondContact NH1-OD2 3.25Å; F229-D234 HydrophobicContact CD2-CB 3.73Å; F229-D234 HydrophobicContact CE2-CB 3.68Å; S232-D234 PolarHBondContact O-N 3.47Å; S232-D234 WeakPolarHBondContact OG-CB 3.47Å; S232-D234 PolarHBondContact OG-N 3.16Å
235S97.8Very high98Very high1 Ų152.6 Ų52.61%0.00726%0.26CS..G310 helixtrans-105.222.1178.964.30000113.2R183 F229 L230 S232 D233 Y237 I238R183-S235 PolarHBondContact NH1-O 3.32Å; R183-S235 PolarHBondContact NH1-OG 2.8Å; R183-S235 PolarHBondContact NH2-OG 3.26Å; R183-S235 VanDerWaalsContact NH2-OG 3.14Å; F229-S235 WeakPolarHBondContact O-CB 3.21Å; F229-S235 PolarHBondContact O-OG 3.47Å; L230-S235 VanDerWaalsContact CA-OG 3.26Å; L230-S235 WeakPolarHBondContact CA-OG 3.39Å; L230-S235 PolarHBondContact O-OG 3.34Å; L230-S235 VanDerWaalsContact O-OG 3.06Å; S232-S235 PolarHBondContact O-N 3.39Å; S232-S235 PolarHBondContact O-OG 3.05Å; S232-S235 VanDerWaalsContact O-OG 3.05Å; D233-S235 PolarHBondContact O-N 2.95Å; S235-Y237 PolarHBondContact O-N 2.92Å; S235-I238 WeakPolarHBondContact O-CB 3.41Å; S235-I238 PolarHBondContact O-N 3.49Å
236R96Very high97.9Very high185 Ų18550 Ų5070%0.69825%0.247SC*.THydrogen-bonded Turntrans-58.4-16.9-173.366.9-172.9176.8-78.4-0.5115.9D233D233-R236 VanDerWaalsContact O-CB 3.31Å; D233-R236 WeakPolarHBondContact O-CB 3.45Å; D233-R236 WeakPolarHBondContact O-CG 3.2Å; D233-R236 PolarHBondContact O-N 3.36Å; D233-R236 PolarHBondContact O-NH1 2.91Å; D233-R236 VanDerWaalsContact O-NH1 3.14Å
237Y97.2Very high97.8Very high229 Ų22949.9 Ų49.990%0.89825%0.252SS*.THydrogen-bonded Turntrans-109.314.3176-152.5-117.4000113.4S235S235-Y237 PolarHBondContact O-N 2.92Å
238I98.6Very high97.5Very high51 Ų5150.7 Ų50.726%0.26226%0.26SS..  trans-112.5113.3-179.5-55.5179.4000109R183 N185 F229 L230 S235 T241R183-I238 WeakPolarHBondContact CD-O 3.48Å; R183-I238 PolarHBondContact NH1-O 2.87Å; N185-I238 PolarHBondContact ND2-O 2.83Å; F229-I238 HydrophobicContact CE1-CD1 3.69Å; F229-I238 HydrophobicContact CZ-CD1 3.6Å; L230-I238 HydrophobicContact CD2-CG2 4.17Å; S235-I238 WeakPolarHBondContact O-CB 3.41Å; S235-I238 PolarHBondContact O-N 3.49Å; I238-T241 HydrophobicContact CG2-CG2 3.36Å
239T98.6Very high97.1Very high56 Ų5650.7 Ų50.734%0.34426%0.26SS..  trans-148.1145.6173.2-166.10000109.4R183 C184 N185 T241R183-T239 WeakPolarHBondContact CA-OG1 3.28Å; C184-T239 PolarHBondContact N-OG1 3.45Å; C184-T239 VanDerWaalsContact N-OG1 3.16Å; N185-T239 VanDerWaalsContact OD1-C 3.3Å; N185-T239 WeakPolarHBondContact OD1-CA 3.43Å; N185-T239 PolarHBondContact OD1-N 3.29Å; T239-T241 VanDerWaalsContact C-N 3.28Å; T239-T241 PolarHBondContact O-N 3.41Å
240G98.2Very high96.5Very high26 Ų2652.3 Ų52.327%0.26827%0.268SS..SBendtrans769.5179.800000115.1A174 C184 N185A174-G240 VanDerWaalsContact CB-CA 3.41Å; C184-G240 WeakPolarHBondContact O-CA 3.35Å; C184-G240 PolarHBondContact O-N 3.49Å; N185-G240 PolarHBondContact OD1-N 2.84Å
241T98.1Very high95.4Very high56 Ų5659.2 Ų59.234%0.34430%0.302SS..  trans-92.6158.7179.8-1600000112.7N185 C186 I238 T239 I243N185-T241 HydrophobicContact CB-CG2 4.4Å; N185-T241 WeakPolarHBondContact OD1-CG2 3.2Å; N185-T241 PolarHBondContact OD1-N 3.13Å; C186-T241 PolarHBondContact N-O 3.03Å; I238-T241 HydrophobicContact CG2-CG2 3.36Å; T239-T241 VanDerWaalsContact C-N 3.28Å; T239-T241 PolarHBondContact O-N 3.41Å; T241-I243 HydrophobicContact CG2-CD1 4.15Å; T241-I243 HydrophobicContact CG2-CG1 3.73Å
242S97.8Very high93.2Very high24 Ų2465.9 Ų65.917%0.16837%0.37CS..EExtended strand (participates in β ladder)trans-117.1109.5172.8-68.70000108E167 C186 L188E167-S242 WeakPolarHBondContact CG-OG 3.17Å; E167-S242 WeakPolarHBondContact OE1-CB 3.18Å; E167-S242 PolarHBondContact OE1-OG 3.24Å; C186-S242 CarbonylContact O-C 3.23Å; C186-S242 WeakPolarHBondContact O-CA 3.34Å; L188-S242 VanDerWaalsContact CD1-CB 3.5Å
243I98.1Very high93Very high45 Ų4569.2 Ų69.223%0.23139%0.389CS..EExtended strand (participates in β ladder)trans-98.5121.9-179.6-54.3-170.6000109.6C186 V187 L188 V226 L230 T241C186-I243 PolarHBondContact O-N 2.84Å; V187-I243 CarbonylContact C-O 3.57Å; V187-I243 WeakPolarHBondContact CA-O 3.3Å; L188-I243 PolarHBondContact N-O 3.12Å; V226-I243 HydrophobicContact CG1-CB 4.28Å; V226-I243 HydrophobicContact CG1-CD1 4.23Å; V226-I243 HydrophobicContact CG1-CG2 3.97Å; L230-I243 HydrophobicContact CD1-CD1 4.12Å; L230-I243 HydrophobicContact CD2-CD1 3.84Å; L230-I243 HydrophobicContact CG-CD1 4.24Å; T241-I243 HydrophobicContact CG2-CD1 4.15Å; T241-I243 HydrophobicContact CG2-CG1 3.73Å
244E97.7Very high92.8Very high63 Ų6368.3 Ų68.329%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-83.3128.5176.1-70.6175.5-162.100111.4I147 K150 L188 T246I147-E244 HydrophobicContact CD1-CG 4.21Å; K150-E244 WeakPolarHBondContact CD-OE1 3.48Å; K150-E244 IonicContact NZ-OE1 3.91Å; K150-E244 PolarHBondContact NZ-OE1 3.13Å; L188-E244 HydrophobicContact CB-CG 4.17Å; L188-E244 HydrophobicContact CD2-CG 4.38Å; E244-T246 HydrophobicContact CB-CG2 3.91Å; E244-T246 HydrophobicContact CG-CG2 4.43Å
245V97.8Very high92.5Very high26 Ų2667.2 Ų67.216%0.15838%0.38CS..EExtended strand (participates in β ladder)trans-120.372.1174.7-1720000107.3V187 L188 P189 G190 V223 V226V187-V245 HydrophobicContact CG1-CG2 3.71Å; L188-V245 PolarHBondContact O-N 3.35Å; P189-V245 WeakPolarHBondContact CA-O 3.21Å; G190-V245 PolarHBondContact N-O 3.15Å; V223-V245 HydrophobicContact CG2-CB 4.47Å; V223-V245 HydrophobicContact CG2-CG1 4.08Å; V226-V245 HydrophobicContact CB-CG2 4.12Å; V226-V245 HydrophobicContact CG1-CG2 4.27Å; V226-V245 HydrophobicContact CG2-CG2 3.69Å
246T96.6Very high92.2Very high16 Ų1671.1 Ų71.110%0.09840%0.402CS..SBendtrans-120-5.5-162.958.80000113.8I147 E244 G248 L249I147-T246 HydrophobicContact CB-CG2 3.92Å; I147-T246 HydrophobicContact CD1-CG2 4.04Å; I147-T246 HydrophobicContact CG1-CG2 3.96Å; E244-T246 HydrophobicContact CB-CG2 3.91Å; E244-T246 HydrophobicContact CG-CG2 4.43Å; T246-G248 PolarHBondContact O-N 2.81Å; T246-G248 PolarHBondContact OG1-N 2.87Å; T246-L249 WeakPolarHBondContact CB-O 3.38Å; T246-L249 WeakPolarHBondContact O-CB 3.17Å; T246-L249 PolarHBondContact O-N 2.94Å; T246-L249 PolarHBondContact OG1-O 3.02Å
247G95.9Very high92Very high28 Ų2863.9 Ų63.929%0.28938%0.383SS..THydrogen-bonded Turntrans5924.7-170.900000113.4V212 P213 L214V212-G247 WeakPolarHBondContact CG1-O 3.24Å; P213-G247 VanDerWaalsContact CD-O 3.28Å; P213-G247 WeakPolarHBondContact CD-O 3.4Å; L214-G247 WeakPolarHBondContact CG-O 3.39Å; L214-G247 PolarHBondContact N-O 2.89Å; L214-G247 VanDerWaalsContact N-O 3.11Å
248G93.7Very high91.7Very high17 Ų1752.9 Ų52.918%0.17535%0.349CS..THydrogen-bonded Turntrans87.54.7-175.800000114.6P213 T246 F250 M251P213-G248 VanDerWaalsContact CD-O 3.29Å; P213-G248 WeakPolarHBondContact CD-O 3.4Å; P213-G248 VanDerWaalsContact CG-O 3.25Å; P213-G248 WeakPolarHBondContact CG-O 3.45Å; T246-G248 PolarHBondContact O-N 2.81Å; T246-G248 PolarHBondContact OG1-N 2.87Å; G248-F250 PolarHBondContact O-N 3.06Å; G248-M251 VanDerWaalsContact O-CG 3.3Å; G248-M251 WeakPolarHBondContact O-CG 3.41Å; G248-M251 PolarHBondContact O-N 3.32Å
249L90Very high91.2Very high2 Ų253.1 Ų53.11%0.0136%0.355CS..THydrogen-bonded Turntrans-63.9124.2174.7-176.774.2000109.3I147 F191 L211 V212 T246I147-L249 HydrophobicContact CG2-CD2 4.38Å; F191-L249 HydrophobicContact CD1-CD2 4.5Å; F191-L249 HydrophobicContact CD2-CD1 4.4Å; F191-L249 HydrophobicContact CD2-CD2 3.51Å; F191-L249 HydrophobicContact CE1-CD2 4.45Å; F191-L249 HydrophobicContact CE2-CD1 4Å; F191-L249 HydrophobicContact CE2-CD2 3.45Å; F191-L249 VanDerWaalsContact CE2-CD2 3.45Å; F191-L249 HydrophobicContact CE2-CG 4.39Å; F191-L249 HydrophobicContact CG-CD2 4.05Å; F191-L249 HydrophobicContact CZ-CD2 3.95Å; L211-L249 HydrophobicContact CB-CD1 3.62Å; L211-L249 WeakPolarHBondContact O-CD1 3.47Å; V212-L249 HydrophobicContact CG2-CB 4.3Å; V212-L249 HydrophobicContact CG2-CD1 4.27Å; T246-L249 WeakPolarHBondContact CB-O 3.38Å; T246-L249 WeakPolarHBondContact O-CB 3.17Å; T246-L249 PolarHBondContact O-N 2.94Å; T246-L249 PolarHBondContact OG1-O 3.02Å
250F84.8Confident90.6Very high98 Ų9852.8 Ų52.843%0.4336%0.356SS..THydrogen-bonded Turntrans59.546.5-176.6-53.9-65.7000115.3I147 V151 G248 G252I147-F250 HydrophobicContact CD1-CB 4.46Å; I147-F250 HydrophobicContact CG1-CB 4.14Å; I147-F250 HydrophobicContact CG1-CD2 3.81Å; I147-F250 HydrophobicContact CG1-CG 4.45Å; I147-F250 HydrophobicContact CG2-CD2 4.27Å; V151-F250 HydrophobicContact CB-CG 4.41Å; V151-F250 HydrophobicContact CG1-CB 3.93Å; V151-F250 HydrophobicContact CG1-CD1 4.41Å; V151-F250 HydrophobicContact CG1-CD2 4.44Å; V151-F250 HydrophobicContact CG1-CG 4.03Å; V151-F250 HydrophobicContact CG2-CD1 4.32Å; V151-F250 HydrophobicContact CG2-CD2 3.58Å; V151-F250 HydrophobicContact CG2-CE1 4.41Å; V151-F250 HydrophobicContact CG2-CE2 3.7Å; V151-F250 HydrophobicContact CG2-CG 3.92Å; V151-F250 HydrophobicContact CG2-CZ 4.12Å; G248-F250 PolarHBondContact O-N 3.06Å; F250-G252 PolarHBondContact O-N 3.37Å; F250-G252 VanDerWaalsContact O-N 3.16Å
251M75.7Confident90Very high145 Ų14555.1 Ų55.171%0.71436%0.364SS*.  trans-59.4114.7168.5-71.9173.7-53.200110.8P213 G248P213-M251 HydrophobicContact CB-CE 4.41Å; P213-M251 HydrophobicContact CG-CE 3.74Å; G248-M251 VanDerWaalsContact O-CG 3.3Å; G248-M251 WeakPolarHBondContact O-CG 3.41Å; G248-M251 PolarHBondContact O-N 3.32Å
252G53.4Low89.2Confident141 Ų14155 Ų55100%1.45437%0.366SS*.  trans-179.90178.300000113.3F250F250-G252 PolarHBondContact O-N 3.37Å; F250-G252 VanDerWaalsContact O-N 3.16Å

Retrieved 252 of 252 residues in 385.3 ms (Link to these results)

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