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Dehydrogenase/reductase SDR family member 11

Catalyzes the conversion of the 17-keto group of estrone, 4- and 5-androstenes and 5-alpha-androstanes into their 17-beta-hydroxyl metabolites and the conversion of the 3-keto group of 3-, 3,17- and 3,20- diketosteroids into their 3-hydroxyl metabolites. Exhibits reductive 3-beta-hydroxysteroid dehydrogenase activity toward 5-beta-androstanes, 5-beta-pregnanes, 4-pregnenes and bile acids. May also reduce endogenous and exogenous alpha-dicarbonyl compounds and xenobiotic alicyclic ketones.

AlphaFold DB , UniProt , Accession A0A060VZI9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110537508, Length 255 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
1M97.6Very high98.4Very high40 Ų4043.5 Ų43.520%0.19721%0.212CC..  0-30.50-71.5-54.6-72.300113.5R3 W4 L26 H29 M31 L235M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 2.94Å; M1-W4 HydrophobicContact CE-CB 4.49Å; M1-W4 WeakPolarHBondContact O-CB 3.46Å; M1-W4 PolarHBondContact O-N 3.06Å; M1-L26 HydrophobicContact CE-CD2 4.08Å; M1-H29 HydrophobicContact CB-CB 4.14Å; M1-H29 HydrophobicContact CE-CB 3.77Å; M1-H29 HydrophobicContact CG-CB 4.36Å; M1-M31 HydrophobicContact CE-SD 4.33Å; M1-L235 HydrophobicContact CE-CB 4.23Å; M1-L235 HydrophobicContact CE-CD1 4.31Å; M1-L235 HydrophobicContact SD-CB 3.64Å
2E97.1Very high98.4Very high151 Ų15140.2 Ų40.271%0.70620%0.196SC*.G310 helixtrans-42.5-44.7-177.1-62.9-49.4118.800116.5W4 K5E2-W4 PolarHBondContact O-N 3.06Å; E2-K5 VanDerWaalsContact O-CB 3.29Å; E2-K5 WeakPolarHBondContact O-CB 3.29Å; E2-K5 PolarHBondContact O-N 3.04Å
3R97.7Very high98.4Very high77 Ų7738.2 Ų38.229%0.29119%0.193SC..G310 helixtrans-61.7-17179.674.6177.8-177.799-6.5115.1M1 D138M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 2.94Å; R3-D138 PolarHBondContact NH1-O 3.42Å; R3-D138 IonicContact NH1-OD2 3.07Å; R3-D138 PolarHBondContact NH1-OD2 2.72Å; R3-D138 VanDerWaalsContact NH1-OD2 3.07Å
4W98.6Very high98.4Very high1 Ų135.5 Ų35.50%0.00418%0.179CC..G310 helixtrans-92.3-9.1179.6-62.5117.4000112.9M1 E2 G6 R7 M31 V88 D138 H140 L235M1-W4 HydrophobicContact CE-CB 4.49Å; M1-W4 WeakPolarHBondContact O-CB 3.46Å; M1-W4 PolarHBondContact O-N 3.06Å; E2-W4 PolarHBondContact O-N 3.06Å; W4-G6 PolarHBondContact O-N 2.79Å; W4-R7 HydrophobicContact CE3-CB 4.46Å; W4-R7 VanDerWaalsContact CZ3-NH1 3.32Å; W4-R7 VanDerWaalsContact O-CB 3.28Å; W4-R7 WeakPolarHBondContact O-CB 3.5Å; W4-R7 PolarHBondContact O-N 3.08Å; W4-M31 HydrophobicContact CB-CE 3.99Å; W4-M31 HydrophobicContact CB-CG 4.12Å; W4-M31 HydrophobicContact CB-SD 3.86Å; W4-M31 HydrophobicContact CE3-CE 4.35Å; W4-M31 WeakPolarHBondContact O-CG 3.18Å; W4-V88 HydrophobicContact CD2-CG2 4.21Å; W4-V88 HydrophobicContact CE3-CG2 3.61Å; W4-V88 HydrophobicContact CH2-CG2 3.66Å; W4-V88 HydrophobicContact CZ2-CG2 4.21Å; W4-V88 HydrophobicContact CZ3-CG2 3.34Å; W4-D138 WeakPolarHBondContact CH2-O 3.33Å; W4-H140 HydrophobicContact CH2-CB 4.05Å; W4-H140 HydrophobicContact CZ2-CB 4.23Å; W4-L235 HydrophobicContact CH2-CD2 4.49Å; W4-L235 HydrophobicContact CZ2-CD2 3.76Å; W4-L235 PolarHBondContact NE1-O 3.25Å
5K98.6Very high98.4Very high125 Ų12534.4 Ų34.454%0.54318%0.176SC..THydrogen-bonded Turntrans-58.6131.4-179.2-171.5173-176.8176.30110.6E2 R7E2-K5 VanDerWaalsContact O-CB 3.29Å; E2-K5 WeakPolarHBondContact O-CB 3.29Å; E2-K5 PolarHBondContact O-N 3.04Å; K5-R7 PolarHBondContact O-N 2.78Å
6G98.4Very high98.3Very high40 Ų4033.8 Ų33.841%0.41217%0.174SC..THydrogen-bonded Turntrans76-11.2-177.300000115.7W4 G30W4-G6 PolarHBondContact O-N 2.79Å; G6-G30 PolarHBondContact N-O 3.48Å
7R98.8Very high98.2Very high38 Ų3833.2 Ų33.214%0.14318%0.179CC..  trans-75.7160.4174.8-63.4-167.667.9175.77.4111.5W4 K5 M31 K32 D87 D138W4-R7 HydrophobicContact CE3-CB 4.46Å; W4-R7 VanDerWaalsContact CZ3-NH1 3.32Å; W4-R7 VanDerWaalsContact O-CB 3.28Å; W4-R7 WeakPolarHBondContact O-CB 3.5Å; W4-R7 PolarHBondContact O-N 3.08Å; K5-R7 PolarHBondContact O-N 2.78Å; R7-M31 HydrophobicContact CB-CE 4.28Å; R7-K32 PolarHBondContact O-N 2.95Å; R7-D87 HydrophobicContact CB-CB 4.18Å; R7-D87 VanDerWaalsContact CB-OD2 3.29Å; R7-D87 WeakPolarHBondContact CB-OD2 3.21Å; R7-D87 IonicContact CZ-OD1 2.66Å; R7-D87 IonicContact CZ-OD2 2.58Å; R7-D87 IonicContact NE-OD1 3.41Å; R7-D87 IonicContact NE-OD2 3.15Å; R7-D87 PolarHBondContact NE-OD2 3.06Å; R7-D87 IonicContact NH2-OD1 3.29Å; R7-D87 PolarHBondContact NH2-OD1 3.35Å; R7-D87 IonicContact NH2-OD2 3.08Å; R7-D138 IonicContact CZ-OD1 3.32Å; R7-D138 IonicContact NH1-OD1 3.11Å; R7-D138 PolarHBondContact NH1-OD1 2.59Å; R7-D138 IonicContact NH1-OD2 2.84Å; R7-D138 PolarHBondContact NH1-OD2 2.9Å; R7-D138 IonicContact NH2-OD1 3.04Å; R7-D138 PolarHBondContact NH2-OD1 2.81Å; R7-D138 VanDerWaalsContact NH2-OD1 3.11Å
8V98.9Very high98.3Very high6 Ų632.6 Ų32.64%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-98.8122.9-173-179.10000111.2K32 V34 I79 H83 G85 D87 V88V8-K32 CarbonylContact C-O 3.51Å; V8-K32 VanDerWaalsContact CA-O 3.26Å; V8-K32 WeakPolarHBondContact CA-O 3.37Å; V8-K32 HydrophobicContact CG2-CB 4.21Å; V8-K32 HydrophobicContact CG2-CD 4.43Å; V8-V34 HydrophobicContact CG1-CG2 4.26Å; V8-I79 HydrophobicContact CG1-CG2 4.23Å; V8-H83 HydrophobicContact CG2-CB 4.11Å; V8-H83 WeakPolarHBondContact CG2-O 3.31Å; V8-G85 WeakPolarHBondContact CB-O 3.43Å; V8-G85 WeakPolarHBondContact CG1-O 3.36Å; V8-G85 WeakPolarHBondContact CG2-O 3.29Å; V8-D87 PolarHBondContact N-OD2 3.24Å; V8-D87 WeakPolarHBondContact O-CB 3.46Å; V8-D87 PolarHBondContact O-N 2.73Å; V8-V88 PolarHBondContact O-N 2.74Å
9A98.9Very high98.3Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-106.8132.3168.600000111L26 M31 K32 V33 V34 V88A9-L26 HydrophobicContact CB-CD1 3.73Å; A9-M31 HydrophobicContact CB-CE 3.75Å; A9-M31 HydrophobicContact CB-SD 4.31Å; A9-K32 PolarHBondContact N-O 3.37Å; A9-V33 HydrophobicContact CB-CG2 4.44Å; A9-V33 CarbonylContact O-C 3.6Å; A9-V33 VanDerWaalsContact O-CA 3.31Å; A9-V33 WeakPolarHBondContact O-CA 3.5Å; A9-V34 PolarHBondContact O-N 3.45Å; A9-V88 CarbonylContact C-O 3.58Å; A9-V88 WeakPolarHBondContact CA-O 3.41Å; A9-V88 HydrophobicContact CB-CB 4Å; A9-V88 HydrophobicContact CB-CG1 4.35Å
10L98.9Very high98.3Very high0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-90.9129.916317262.3000108.7T12 V34 M75 F76 I79 V86 V88 I90L10-T12 HydrophobicContact CD2-CG2 4.36Å; L10-T12 HydrophobicContact CG-CG2 4.27Å; L10-V34 WeakPolarHBondContact CA-O 3.49Å; L10-V34 HydrophobicContact CD1-CB 4.44Å; L10-V34 HydrophobicContact CD1-CG1 4.32Å; L10-M75 HydrophobicContact CD1-CE 3.86Å; L10-M75 HydrophobicContact CD1-SD 3.82Å; L10-M75 HydrophobicContact CD2-CE 3.82Å; L10-F76 HydrophobicContact CD2-CE1 4.15Å; L10-F76 HydrophobicContact CD2-CE2 3.83Å; L10-F76 HydrophobicContact CD2-CZ 3.42Å; L10-F76 VanDerWaalsContact CD2-CZ 3.42Å; L10-I79 HydrophobicContact CD1-CD1 4.24Å; L10-V86 HydrophobicContact CB-CG1 3.98Å; L10-V86 HydrophobicContact CB-CG2 4.22Å; L10-V88 PolarHBondContact N-O 3.11Å; L10-I90 PolarHBondContact O-N 2.8Å
11V98.9Very high98.3Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans-123.1109.5171.8-176.80000109.2A14 V22 A23 L26 V33 V34 C36 I90V11-A14 HydrophobicContact CB-CB 4.36Å; V11-A14 HydrophobicContact CG1-CB 4.15Å; V11-V22 HydrophobicContact CG1-CG1 4.45Å; V11-V22 HydrophobicContact CG2-CG1 4.25Å; V11-A23 HydrophobicContact CB-CB 4.47Å; V11-A23 HydrophobicContact CG1-CB 4.43Å; V11-A23 HydrophobicContact CG2-CB 4.45Å; V11-L26 HydrophobicContact CG2-CD1 4Å; V11-V33 HydrophobicContact CB-CG1 4.33Å; V11-V33 HydrophobicContact CG2-CG1 3.71Å; V11-V34 PolarHBondContact N-O 3.28Å; V11-C36 PolarHBondContact O-N 2.97Å; V11-I90 HydrophobicContact CG1-CB 4.43Å; V11-I90 HydrophobicContact CG2-CB 4.16Å; V11-I90 HydrophobicContact CG2-CG1 3.98Å
12T98.9Very high98.4Very high4 Ų427.1 Ų27.13%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-79.7141.8177.268.80000111L10 L66 I90 N92 A93L10-T12 HydrophobicContact CD2-CG2 4.36Å; L10-T12 HydrophobicContact CG-CG2 4.27Å; T12-L66 HydrophobicContact CG2-CD1 4.39Å; T12-L66 HydrophobicContact CG2-CD2 4.45Å; T12-I90 PolarHBondContact N-O 3.09Å; T12-I90 PolarHBondContact OG1-O 2.65Å; T12-N92 VanDerWaalsContact O-CB 3.25Å; T12-N92 WeakPolarHBondContact O-CB 3.32Å; T12-N92 PolarHBondContact O-ND2 2.91Å; T12-N92 PolarHBondContact OG1-N 2.88Å; T12-A93 PolarHBondContact O-N 2.88Å; T12-A93 PolarHBondContact OG1-N 3.15Å
13G98.3Very high98.5Very high15 Ų1519.9 Ų19.916%0.15512%0.116CC..THydrogen-bonded Turntrans6935.8-177.200000113.5S15 C36 N92G13-S15 PolarHBondContact O-N 2.92Å; G13-C36 WeakPolarHBondContact CA-O 3.29Å; G13-C36 PolarHBondContact N-O 3.46Å; G13-N92 PolarHBondContact O-ND2 2.78Å
14A98.4Very high98.5Very high0 Ų019.8 Ų19.80%012%0.116CC..THydrogen-bonded Turntrans-77.20.8-174.200000115.1V11 A20 A23 C36 I43V11-A14 HydrophobicContact CB-CB 4.36Å; V11-A14 HydrophobicContact CG1-CB 4.15Å; A14-A20 WeakPolarHBondContact O-CA 3.4Å; A14-A20 WeakPolarHBondContact O-CB 3.35Å; A14-A23 HydrophobicContact CB-CB 4.29Å; A14-C36 PolarHBondContact N-O 3.35Å; A14-C36 VanDerWaalsContact N-O 3.08Å; A14-I43 HydrophobicContact CB-CD1 4.27Å
15S97.3Very high98.6Very high19 Ų1920.2 Ų20.213%0.13312%0.12CC..THydrogen-bonded Turntrans-76-23.6-175.956.20000114.2G13 A37 N39 K42G13-S15 PolarHBondContact O-N 2.92Å; S15-A37 WeakPolarHBondContact OG-CB 3.48Å; S15-N39 WeakPolarHBondContact CB-O 3.45Å; S15-K42 WeakPolarHBondContact O-CB 3.42Å
16V96.8Very high98.6Very high24 Ų2414.3 Ų14.315%0.1459%0.094CC..SBendtrans-153.8171.4-176-61.30000111.8G19 A20 K42 E199V16-G19 PolarHBondContact O-N 3.17Å; V16-A20 PolarHBondContact O-N 3.05Å; V16-K42 HydrophobicContact CG1-CD 3.58Å; V16-E199 WeakPolarHBondContact CG1-OE1 3.41Å
17G97.6Very high98.6Very high25 Ų2512.5 Ų12.526%0.2588%0.075SC..Hα-helixtrans57.3-138165.700000113.9G19 A20 A21G17-G19 PolarHBondContact O-N 2.96Å; G17-A20 PolarHBondContact O-N 3.4Å; G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.14Å
18I98.8Very high98.6Very high22 Ų2214.7 Ų14.711%0.1139%0.087CC..Hα-helixtrans-57.7-47.3-178.2-65.2167.4000111.1A20 A21 V22 N92 I144 V196 T198 A224 I227I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.39Å; I18-A21 PolarHBondContact O-N 3.47Å; I18-A21 VanDerWaalsContact O-N 3.13Å; I18-V22 HydrophobicContact CG2-CG2 4.04Å; I18-V22 WeakPolarHBondContact O-CG2 3.49Å; I18-V22 PolarHBondContact O-N 2.93Å; I18-N92 VanDerWaalsContact CB-OD1 3.31Å; I18-N92 WeakPolarHBondContact CB-OD1 3.35Å; I18-N92 WeakPolarHBondContact CG2-OD1 3.4Å; I18-I144 HydrophobicContact CD1-CG2 4.48Å; I18-V196 HydrophobicContact CD1-CB 4.35Å; I18-V196 HydrophobicContact CD1-CG1 4.3Å; I18-V196 HydrophobicContact CD1-CG2 4.19Å; I18-V196 HydrophobicContact CG1-CG1 4.19Å; I18-T198 HydrophobicContact CG1-CG2 4.3Å; I18-A224 HydrophobicContact CG1-CB 4.43Å; I18-I227 HydrophobicContact CD1-CG1 4Å; I18-I227 HydrophobicContact CD1-CG2 4.43Å; I18-I227 HydrophobicContact CG1-CB 4.27Å; I18-I227 HydrophobicContact CG1-CG1 3.98Å; I18-I227 HydrophobicContact CG2-CB 3.9Å; I18-I227 HydrophobicContact CG2-CG2 3.55Å
19G98.8Very high98.6Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-59-43.8-178.500000113V16 G17 V22 A23 N92V16-G19 PolarHBondContact O-N 3.17Å; G17-G19 PolarHBondContact O-N 2.96Å; G19-V22 PolarHBondContact O-N 3.37Å; G19-A23 VanDerWaalsContact O-CB 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.36Å; G19-A23 PolarHBondContact O-N 3.28Å; G19-N92 WeakPolarHBondContact CA-ND2 3.27Å; G19-N92 PolarHBondContact N-ND2 3.03Å; G19-N92 PolarHBondContact N-OD1 2.8Å
20A98.8Very high98.6Very high14 Ų1418.1 Ų18.112%0.11610%0.103CC..Hα-helixtrans-63.4-42.2175.600000112.2A14 V16 G17 I18 A23 R24 L46A14-A20 WeakPolarHBondContact O-CA 3.4Å; A14-A20 WeakPolarHBondContact O-CB 3.35Å; V16-A20 PolarHBondContact O-N 3.05Å; G17-A20 PolarHBondContact O-N 3.4Å; I18-A20 VanDerWaalsContact C-N 3.35Å; I18-A20 PolarHBondContact O-N 3.39Å; A20-A23 PolarHBondContact O-N 3.07Å; A20-R24 WeakPolarHBondContact O-CB 3.19Å; A20-R24 PolarHBondContact O-N 2.83Å; A20-L46 HydrophobicContact CB-CD2 3.92Å
21A98.9Very high98.6Very high7 Ų718.1 Ų18.16%0.05810%0.103CC..Hα-helixtrans-65.6-42.6177.800000112.1G17 I18 R24 A25 A224 A228G17-A21 PolarHBondContact O-N 2.82Å; G17-A21 VanDerWaalsContact O-N 3.14Å; I18-A21 PolarHBondContact O-N 3.47Å; I18-A21 VanDerWaalsContact O-N 3.13Å; A21-R24 PolarHBondContact O-N 3.48Å; A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.84Å; A21-A224 HydrophobicContact CB-CB 3.64Å; A21-A228 HydrophobicContact CB-CB 4.18Å
22V98.9Very high98.6Very high1 Ų122.4 Ų22.41%0.00612%0.122CC..Hα-helixtrans-63.2-48.8175.3172.70000110.4V11 I18 G19 R24 A25 L26 I90 A228 V231V11-V22 HydrophobicContact CG1-CG1 4.45Å; V11-V22 HydrophobicContact CG2-CG1 4.25Å; I18-V22 HydrophobicContact CG2-CG2 4.04Å; I18-V22 WeakPolarHBondContact O-CG2 3.49Å; I18-V22 PolarHBondContact O-N 2.93Å; G19-V22 PolarHBondContact O-N 3.37Å; V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 2.99Å; V22-A25 PolarHBondContact O-N 2.88Å; V22-A25 VanDerWaalsContact O-N 3.12Å; V22-L26 HydrophobicContact CG1-CD1 3.97Å; V22-L26 HydrophobicContact CG1-CG 4.19Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.29Å; V22-I90 HydrophobicContact CG1-CG1 4.2Å; V22-I90 HydrophobicContact CG1-CG2 4.25Å; V22-A228 HydrophobicContact CG2-CB 4.13Å; V22-V231 HydrophobicContact CG1-CG1 4.03Å; V22-V231 HydrophobicContact CG2-CB 4.47Å; V22-V231 HydrophobicContact CG2-CG2 4.04Å
23A98.9Very high98.6Very high0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-56.2-46.7178.800000111.5V11 A14 G19 A20 A25 L26 V27 V33 L46 L59V11-A23 HydrophobicContact CB-CB 4.47Å; V11-A23 HydrophobicContact CG1-CB 4.43Å; V11-A23 HydrophobicContact CG2-CB 4.45Å; A14-A23 HydrophobicContact CB-CB 4.29Å; G19-A23 VanDerWaalsContact O-CB 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.36Å; G19-A23 PolarHBondContact O-N 3.28Å; A20-A23 PolarHBondContact O-N 3.07Å; A23-A25 PolarHBondContact O-N 3.17Å; A23-L26 PolarHBondContact O-N 3.25Å; A23-V27 WeakPolarHBondContact O-CG2 3.29Å; A23-V27 PolarHBondContact O-N 2.91Å; A23-V33 HydrophobicContact CB-CG1 4.02Å; A23-L46 HydrophobicContact CB-CD2 4.49Å; A23-L59 HydrophobicContact CB-CD1 4.06Å
24R98.9Very high98.6Very high74 Ų7421.6 Ų21.628%0.27911%0.114SC..Hα-helixtrans-58.7-47.1175.1-174.3-176.8-69.5144.2-7.4112.1A20 A21 V22 L26 V27 Q28 L46 E49 Y55A20-R24 WeakPolarHBondContact O-CB 3.19Å; A20-R24 PolarHBondContact O-N 2.83Å; A21-R24 PolarHBondContact O-N 3.48Å; V22-R24 VanDerWaalsContact C-N 3.31Å; V22-R24 PolarHBondContact O-N 2.99Å; R24-L26 PolarHBondContact O-N 3.33Å; R24-V27 PolarHBondContact O-N 3.09Å; R24-Q28 WeakPolarHBondContact O-CG 3.3Å; R24-Q28 PolarHBondContact O-N 3.34Å; R24-L46 HydrophobicContact CB-CD1 4.48Å; R24-L46 VanDerWaalsContact NH2-CD1 3.26Å; R24-E49 IonicContact NH2-OE2 2.99Å; R24-E49 PolarHBondContact NH2-OE2 3.03Å; R24-E49 VanDerWaalsContact NH2-OE2 3.15Å; R24-Y55 HydrophobicContact CG-CE2 4.05Å
25A98.9Very high98.6Very high11 Ų1121.6 Ų21.69%0.09111%0.114CC..Hα-helixtrans-63.1-40.4-179.400000112.5A21 V22 A23 Q28 H29 A228 T232A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 2.84Å; V22-A25 PolarHBondContact O-N 2.88Å; V22-A25 VanDerWaalsContact O-N 3.12Å; A23-A25 PolarHBondContact O-N 3.17Å; A25-Q28 WeakPolarHBondContact O-CB 3.36Å; A25-Q28 PolarHBondContact O-N 3.12Å; A25-H29 PolarHBondContact O-CD2 3.21Å; A25-H29 PolarHBondContact O-N 2.99Å; A25-H29 VanDerWaalsContact O-N 3.12Å; A25-A228 HydrophobicContact CB-CB 4.03Å; A25-T232 HydrophobicContact CB-CG2 4.08Å
26L98.9Very high98.7Very high1 Ų120.7 Ų20.71%0.00511%0.107CC..Hα-helixtrans-67.9-36.6177-63.1-176.9000112M1 A9 V11 V22 A23 R24 H29 G30 M31 V33 I90 L235M1-L26 HydrophobicContact CE-CD2 4.08Å; A9-L26 HydrophobicContact CB-CD1 3.73Å; V11-L26 HydrophobicContact CG2-CD1 4Å; V22-L26 HydrophobicContact CG1-CD1 3.97Å; V22-L26 HydrophobicContact CG1-CG 4.19Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.29Å; A23-L26 PolarHBondContact O-N 3.25Å; R24-L26 PolarHBondContact O-N 3.33Å; L26-H29 CarbonylContact O-C 3.49Å; L26-H29 PolarHBondContact O-N 3.39Å; L26-G30 PolarHBondContact O-N 3.03Å; L26-M31 HydrophobicContact CB-CB 4.36Å; L26-M31 HydrophobicContact CB-CG 4.49Å; L26-M31 HydrophobicContact CB-SD 4.15Å; L26-M31 HydrophobicContact CD1-SD 4.46Å; L26-M31 HydrophobicContact CD2-SD 3.88Å; L26-M31 HydrophobicContact CG-SD 4.37Å; L26-M31 WeakPolarHBondContact O-CB 3.13Å; L26-M31 PolarHBondContact O-N 2.92Å; L26-M31 VanDerWaalsContact O-N 3.09Å; L26-V33 HydrophobicContact CB-CG2 3.59Å; L26-I90 HydrophobicContact CD1-CG1 4.25Å; L26-L235 HydrophobicContact CD2-CD1 3.53Å
27V98.9Very high98.8Very high1 Ų119.9 Ų19.91%0.00610%0.104CC..Hα-helixtrans-65.3-41.1172.5170.20000111.9A23 R24 H29 G30 V33 C50 Y55 G57 L59A23-V27 WeakPolarHBondContact O-CG2 3.29Å; A23-V27 PolarHBondContact O-N 2.91Å; R24-V27 PolarHBondContact O-N 3.09Å; V27-H29 PolarHBondContact O-N 3.34Å; V27-G30 PolarHBondContact O-N 3.33Å; V27-V33 HydrophobicContact CG2-CB 3.9Å; V27-V33 HydrophobicContact CG2-CG2 3.58Å; V27-C50 HydrophobicContact CG1-CB 3.88Å; V27-Y55 HydrophobicContact CG1-CD2 4.14Å; V27-Y55 HydrophobicContact CG1-CG 4.45Å; V27-G57 VanDerWaalsContact O-CA 3.29Å; V27-G57 WeakPolarHBondContact O-CA 3.21Å; V27-G57 PolarHBondContact O-N 2.86Å; V27-L59 HydrophobicContact CG2-CB 3.99Å
28Q98.8Very high98.7Very high85 Ų8525.7 Ų25.740%0.39712%0.118SC..Hα-helixtrans-56.7-37.9173.1-74.7171-22.300111.6R24 A25 G30 Y55R24-Q28 WeakPolarHBondContact O-CG 3.3Å; R24-Q28 PolarHBondContact O-N 3.34Å; A25-Q28 WeakPolarHBondContact O-CB 3.36Å; A25-Q28 PolarHBondContact O-N 3.12Å; Q28-G30 PolarHBondContact O-N 2.84Å; Q28-Y55 HydrophobicContact CG-CD1 3.7Å; Q28-Y55 HydrophobicContact CG-CD2 3.71Å; Q28-Y55 HydrophobicContact CG-CE1 3.6Å; Q28-Y55 HydrophobicContact CG-CE2 3.64Å; Q28-Y55 HydrophobicContact CG-CG 3.76Å; Q28-Y55 PolarHBondContact NE2-OH 3.37Å
29H98.7Very high98.4Very high74 Ų7428.1 Ų28.134%0.34313%0.131SC..THydrogen-bonded Turntrans-81.910.9176.1-73-58.1000115.1M1 A25 L26 V27M1-H29 HydrophobicContact CB-CB 4.14Å; M1-H29 HydrophobicContact CE-CB 3.77Å; M1-H29 HydrophobicContact CG-CB 4.36Å; A25-H29 PolarHBondContact O-CD2 3.21Å; A25-H29 PolarHBondContact O-N 2.99Å; A25-H29 VanDerWaalsContact O-N 3.12Å; L26-H29 CarbonylContact O-C 3.49Å; L26-H29 PolarHBondContact O-N 3.39Å; V27-H29 PolarHBondContact O-N 3.34Å
30G98.7Very high98.3Very high4 Ų429.2 Ų29.24%0.04114%0.137CC..THydrogen-bonded Turntrans83.713.3170.300000115.2G6 L26 V27 Q28 S56G6-G30 PolarHBondContact N-O 3.48Å; L26-G30 PolarHBondContact O-N 3.03Å; V27-G30 PolarHBondContact O-N 3.33Å; Q28-G30 PolarHBondContact O-N 2.84Å; G30-S56 WeakPolarHBondContact CA-OG 3.21Å; G30-S56 PolarHBondContact N-OG 2.98Å
31M98.9Very high98.3Very high0 Ų033.6 Ų33.60%016%0.159CC..  trans-79.7155.2175.4-58.7-166.271.100111.7M1 W4 R7 A9 L26 V33 G57 T58 V88M1-M31 HydrophobicContact CE-SD 4.33Å; W4-M31 HydrophobicContact CB-CE 3.99Å; W4-M31 HydrophobicContact CB-CG 4.12Å; W4-M31 HydrophobicContact CB-SD 3.86Å; W4-M31 HydrophobicContact CE3-CE 4.35Å; W4-M31 WeakPolarHBondContact O-CG 3.18Å; R7-M31 HydrophobicContact CB-CE 4.28Å; A9-M31 HydrophobicContact CB-CE 3.75Å; A9-M31 HydrophobicContact CB-SD 4.31Å; L26-M31 HydrophobicContact CB-CB 4.36Å; L26-M31 HydrophobicContact CB-CG 4.49Å; L26-M31 HydrophobicContact CB-SD 4.15Å; L26-M31 HydrophobicContact CD1-SD 4.46Å; L26-M31 HydrophobicContact CD2-SD 3.88Å; L26-M31 HydrophobicContact CG-SD 4.37Å; L26-M31 WeakPolarHBondContact O-CB 3.13Å; L26-M31 PolarHBondContact O-N 2.92Å; L26-M31 VanDerWaalsContact O-N 3.09Å; M31-V33 HydrophobicContact CB-CG2 4.11Å; M31-G57 WeakPolarHBondContact O-CA 3.36Å; M31-T58 PolarHBondContact O-N 2.99Å; M31-V88 HydrophobicContact CE-CB 4.27Å; M31-V88 HydrophobicContact CE-CG2 3.92Å
32K98.9Very high98.3Very high90 Ų9037.1 Ų37.139%0.39117%0.173SC..EExtended strand (participates in β ladder)trans-85.8116.4161.6-64.9177-176.4175.40107.3R7 V8 A9 I60R7-K32 PolarHBondContact O-N 2.95Å; V8-K32 CarbonylContact C-O 3.51Å; V8-K32 VanDerWaalsContact CA-O 3.26Å; V8-K32 WeakPolarHBondContact CA-O 3.37Å; V8-K32 HydrophobicContact CG2-CB 4.21Å; V8-K32 HydrophobicContact CG2-CD 4.43Å; A9-K32 PolarHBondContact N-O 3.37Å; K32-I60 HydrophobicContact CB-CD1 4.42Å
33V98.9Very high98.3Very high0 Ų037.1 Ų37.10%017%0.173CC..EExtended strand (participates in β ladder)trans-112116.7-174.2-177.10000108.9A9 V11 A23 L26 V27 M31 G35 T58 L59 I60A9-V33 HydrophobicContact CB-CG2 4.44Å; A9-V33 CarbonylContact O-C 3.6Å; A9-V33 VanDerWaalsContact O-CA 3.31Å; A9-V33 WeakPolarHBondContact O-CA 3.5Å; V11-V33 HydrophobicContact CB-CG1 4.33Å; V11-V33 HydrophobicContact CG2-CG1 3.71Å; A23-V33 HydrophobicContact CB-CG1 4.02Å; L26-V33 HydrophobicContact CB-CG2 3.59Å; V27-V33 HydrophobicContact CG2-CB 3.9Å; V27-V33 HydrophobicContact CG2-CG2 3.58Å; M31-V33 HydrophobicContact CB-CG2 4.11Å; V33-G35 PolarHBondContact O-N 3.46Å; V33-T58 PolarHBondContact N-O 3.39Å; V33-L59 HydrophobicContact CB-CD1 3.95Å; V33-L59 HydrophobicContact CG1-CD1 3.76Å; V33-L59 CarbonylContact O-C 3.5Å; V33-L59 WeakPolarHBondContact O-CA 3.47Å; V33-L59 WeakPolarHBondContact O-CD1 3.28Å; V33-I60 PolarHBondContact O-N 2.94Å
34V98.9Very high98.2Very high1 Ų142 Ų421%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-87.2107166.9-178.20000107V8 A9 L10 V11 I60 I79V8-V34 HydrophobicContact CG1-CG2 4.26Å; A9-V34 PolarHBondContact O-N 3.45Å; L10-V34 WeakPolarHBondContact CA-O 3.49Å; L10-V34 HydrophobicContact CD1-CB 4.44Å; L10-V34 HydrophobicContact CD1-CG1 4.32Å; V11-V34 PolarHBondContact N-O 3.28Å; V34-I60 WeakPolarHBondContact CA-O 3.39Å; V34-I60 HydrophobicContact CG2-CB 4.28Å; V34-I60 HydrophobicContact CG2-CD1 4.11Å; V34-I60 HydrophobicContact CG2-CG2 4.5Å; V34-I79 HydrophobicContact CB-CD1 4.17Å; V34-I79 HydrophobicContact CB-CG1 4.4Å; V34-I79 HydrophobicContact CG1-CD1 3.88Å; V34-I79 HydrophobicContact CG1-CG1 4.03Å; V34-I79 HydrophobicContact CG2-CD1 4.31Å; V34-I79 HydrophobicContact CG2-CG1 4.07Å
35G98.9Very high98.2Very high0 Ų045.1 Ų45.10%021%0.211CC..EExtended strand (participates in β ladder)trans-98.1121.8177.900000109.6V33 I43 I60 Y62V33-G35 PolarHBondContact O-N 3.46Å; G35-I43 WeakPolarHBondContact O-CD1 3.19Å; G35-I60 PolarHBondContact N-O 3.47Å; G35-Y62 PolarHBondContact O-N 3.48Å
36C98.8Very high98.2Very high0 Ų045 Ų450%021%0.209CC..EExtended strand (participates in β ladder)trans-118.9144.5-179.678.50000114.1V11 G13 A14 Y62 C64 M75V11-C36 PolarHBondContact O-N 2.97Å; G13-C36 WeakPolarHBondContact CA-O 3.29Å; G13-C36 PolarHBondContact N-O 3.46Å; A14-C36 PolarHBondContact N-O 3.35Å; A14-C36 VanDerWaalsContact N-O 3.08Å; C36-Y62 WeakPolarHBondContact CA-O 3.29Å; C36-Y62 WeakPolarHBondContact CB-O 3.48Å; C36-C64 HydrophobicContact CB-CB 4.03Å; C36-M75 HydrophobicContact CB-SD 3.49Å; C36-M75 WeakPolarHBondContact CB-SD 3.44Å
37A98.2Very high98.2Very high8 Ų845.7 Ų45.77%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-167.2172.6167.900000109.9S15 I43 Y62 K63 C64S15-A37 WeakPolarHBondContact OG-CB 3.48Å; A37-I43 HydrophobicContact CB-CD1 3.84Å; A37-Y62 PolarHBondContact N-O 3.12Å; A37-K63 WeakPolarHBondContact O-CA 3.45Å; A37-C64 CarbonylContact C-O 3.17Å; A37-C64 PolarHBondContact O-N 3.05Å; A37-C64 VanDerWaalsContact O-N 3.15Å
38R95.9Very high98.2Very high146 Ų14648 Ų4855%0.55123%0.234SC*.SBendtrans-63.1-40.4172.4-64.4175.9-65.3173.8-1.2113.2C64 D65R38-C64 PolarHBondContact N-O 3.34Å; R38-D65 WeakPolarHBondContact CD-OD1 3.34Å; R38-D65 HydrophobicContact CG-CB 4.04Å
39N93.5Very high98.2Very high74 Ų7447.9 Ų47.940%0.39623%0.234SC..  trans-96.793.8176.9-175.1-31.6000108.8S15 D41 K42S15-N39 WeakPolarHBondContact CB-O 3.45Å; N39-D41 PolarHBondContact OD1-N 3.5Å; N39-K42 PolarHBondContact OD1-N 3.5Å
40V97.1Very high98.2Very high22 Ų2244.5 Ų44.513%0.13322%0.218CC..  trans-76.5-30.1-176.469.50000112.2K42 I43 E44 P61 K63V40-K42 VanDerWaalsContact C-N 3.25Å; V40-K42 PolarHBondContact O-N 2.99Å; V40-I43 CarbonylContact O-C 3.52Å; V40-I43 WeakPolarHBondContact O-CA 3.49Å; V40-I43 VanDerWaalsContact O-CB 3.3Å; V40-I43 WeakPolarHBondContact O-CB 3.44Å; V40-I43 PolarHBondContact O-N 3.22Å; V40-E44 HydrophobicContact CG2-CG 4.36Å; V40-E44 PolarHBondContact O-N 2.84Å; V40-P61 HydrophobicContact CG2-CB 3.68Å; V40-K63 HydrophobicContact CB-CB 4.04Å; V40-K63 HydrophobicContact CG1-CB 4.27Å; V40-K63 HydrophobicContact CG2-CB 4.43Å
41D98.3Very high98.2Very high107 Ų10751.9 Ų51.957%0.57225%0.252SS*.Hα-helixtrans-56.1-38.7-179-49.90.8000112.2N39 I43 E44 K45N39-D41 PolarHBondContact OD1-N 3.5Å; D41-I43 VanDerWaalsContact C-N 3.27Å; D41-I43 PolarHBondContact O-N 2.82Å; D41-E44 PolarHBondContact O-N 2.76Å; D41-K45 PolarHBondContact O-N 3.36Å
42K97.8Very high98.1Very high81 Ų8157 Ų5735%0.35229%0.287SS..Hα-helixtrans-63.4-33.8174.3-73.2-168.5176.2-172.30112.3S15 V16 N39 V40 L46 E199S15-K42 WeakPolarHBondContact O-CB 3.42Å; V16-K42 HydrophobicContact CG1-CD 3.58Å; N39-K42 PolarHBondContact OD1-N 3.5Å; V40-K42 VanDerWaalsContact C-N 3.25Å; V40-K42 PolarHBondContact O-N 2.99Å; K42-L46 PolarHBondContact O-N 3.38Å; K42-L46 VanDerWaalsContact O-N 3.17Å; K42-E199 IonicContact NZ-OE1 2.85Å; K42-E199 PolarHBondContact NZ-OE1 3.31Å; K42-E199 IonicContact NZ-OE2 2.67Å
43I98.6Very high98.1Very high0 Ų055.3 Ų55.30%029%0.29CS..Hα-helixtrans-76.8-38.7178.3-49.5176.2000110.2A14 G35 A37 V40 D41 L46 A47 L59 P61A14-I43 HydrophobicContact CB-CD1 4.27Å; G35-I43 WeakPolarHBondContact O-CD1 3.19Å; A37-I43 HydrophobicContact CB-CD1 3.84Å; V40-I43 CarbonylContact O-C 3.52Å; V40-I43 WeakPolarHBondContact O-CA 3.49Å; V40-I43 VanDerWaalsContact O-CB 3.3Å; V40-I43 WeakPolarHBondContact O-CB 3.44Å; V40-I43 PolarHBondContact O-N 3.22Å; D41-I43 VanDerWaalsContact C-N 3.27Å; D41-I43 PolarHBondContact O-N 2.82Å; I43-L46 PolarHBondContact O-N 3.34Å; I43-A47 WeakPolarHBondContact O-CB 3.17Å; I43-A47 PolarHBondContact O-N 3.09Å; I43-L59 HydrophobicContact CG2-CD1 4.34Å; I43-L59 HydrophobicContact CG2-CD2 3.93Å; I43-L59 HydrophobicContact CG2-CG 4.11Å; I43-P61 HydrophobicContact CB-CB 4.06Å; I43-P61 HydrophobicContact CG2-CB 3.88Å; I43-P61 HydrophobicContact CG2-CG 4.19Å
44E98.8Very high98.1Very high102 Ų10258.3 Ų58.348%0.47732%0.321SS..Hα-helixtrans-59.8-45.6173.3-68.2174.7167.900111.4V40 D41 L46 A47 A48 P61V40-E44 HydrophobicContact CG2-CG 4.36Å; V40-E44 PolarHBondContact O-N 2.84Å; D41-E44 PolarHBondContact O-N 2.76Å; E44-L46 VanDerWaalsContact C-N 3.35Å; E44-L46 PolarHBondContact O-N 3.21Å; E44-A47 WeakPolarHBondContact O-CB 3.43Å; E44-A47 PolarHBondContact O-N 3.39Å; E44-A47 VanDerWaalsContact O-N 3.14Å; E44-A48 PolarHBondContact O-N 3.05Å; E44-P61 HydrophobicContact CB-CG 4.29Å; E44-P61 HydrophobicContact CG-CB 3.73Å; E44-P61 HydrophobicContact CG-CG 3.74Å
45K98.6Very high98.1Very high140 Ų14061.9 Ų61.961%0.60934%0.335SS*.Hα-helixtrans-58.9-46.4173.6-175.7179.5175.6-178.40111.6D41 A47 A48 E49D41-K45 PolarHBondContact O-N 3.36Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 2.97Å; K45-A48 PolarHBondContact O-N 3.03Å; K45-E49 WeakPolarHBondContact CE-OE1 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.11Å
46L98.6Very high98Very high9 Ų965.5 Ų65.55%0.04736%0.36CS..Hα-helixtrans-61.4-35.6176.6-179.561.5000112.1A20 A23 R24 K42 I43 E44 E49 C50 L59A20-L46 HydrophobicContact CB-CD2 3.92Å; A23-L46 HydrophobicContact CB-CD2 4.49Å; R24-L46 HydrophobicContact CB-CD1 4.48Å; R24-L46 VanDerWaalsContact NH2-CD1 3.26Å; K42-L46 PolarHBondContact O-N 3.38Å; K42-L46 VanDerWaalsContact O-N 3.17Å; I43-L46 PolarHBondContact O-N 3.34Å; E44-L46 VanDerWaalsContact C-N 3.35Å; E44-L46 PolarHBondContact O-N 3.21Å; L46-E49 PolarHBondContact O-N 2.99Å; L46-C50 PolarHBondContact O-N 2.92Å; L46-C50 PolarHBondContact O-SG 3.29Å; L46-L59 HydrophobicContact CB-CD2 3.9Å; L46-L59 HydrophobicContact CD2-CD2 3.68Å; L46-L59 HydrophobicContact CG-CD2 3.57Å
47A98.8Very high98Very high16 Ų1666.1 Ų66.113%0.13237%0.367CS..Hα-helixtrans-66.7-44.2177.400000111.1I43 E44 K45 E49 C50 Q51 L59 P61I43-A47 WeakPolarHBondContact O-CB 3.17Å; I43-A47 PolarHBondContact O-N 3.09Å; E44-A47 WeakPolarHBondContact O-CB 3.43Å; E44-A47 PolarHBondContact O-N 3.39Å; E44-A47 VanDerWaalsContact O-N 3.14Å; K45-A47 VanDerWaalsContact C-N 3.26Å; K45-A47 PolarHBondContact O-N 2.97Å; A47-E49 PolarHBondContact O-N 3.16Å; A47-C50 PolarHBondContact O-N 2.76Å; A47-Q51 WeakPolarHBondContact O-CB 3.47Å; A47-Q51 PolarHBondContact O-N 3.3Å; A47-L59 HydrophobicContact CB-CB 3.82Å; A47-L59 HydrophobicContact CB-CD2 4.09Å; A47-L59 HydrophobicContact CB-CG 4.05Å; A47-P61 HydrophobicContact CB-CG 4.02Å
48A98.7Very high98Very high49 Ų4969.6 Ų69.641%0.40539%0.387SS..Hα-helixtrans-62.4-39.8174.300000112.4E44 K45 Q51 S52E44-A48 PolarHBondContact O-N 3.05Å; K45-A48 PolarHBondContact O-N 3.03Å; A48-Q51 PolarHBondContact O-N 3.49Å; A48-S52 WeakPolarHBondContact O-CB 3.48Å; A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.37Å
49E98.6Very high98.2Very high83 Ų8363.2 Ų63.239%0.38836%0.364SS..Hα-helixtrans-60-46.7172.6-73.3173.2-168.300111.4R24 K45 L46 A47 Q51 S52 A53R24-E49 IonicContact NH2-OE2 2.99Å; R24-E49 PolarHBondContact NH2-OE2 3.03Å; R24-E49 VanDerWaalsContact NH2-OE2 3.15Å; K45-E49 WeakPolarHBondContact CE-OE1 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.47Å; K45-E49 PolarHBondContact O-N 3.11Å; L46-E49 PolarHBondContact O-N 2.99Å; A47-E49 PolarHBondContact O-N 3.16Å; E49-Q51 PolarHBondContact O-N 2.96Å; E49-S52 PolarHBondContact O-N 2.74Å; E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 3.37Å
50C98.5Very high98.4Very high3 Ų361.3 Ų61.32%0.0235%0.354CS..Hα-helixtrans-63.7-40.6179.1-69.40000112.4V27 L46 A47 A53 G54 Y55V27-C50 HydrophobicContact CG1-CB 3.88Å; L46-C50 PolarHBondContact O-N 2.92Å; L46-C50 PolarHBondContact O-SG 3.29Å; A47-C50 PolarHBondContact O-N 2.76Å; C50-A53 PolarHBondContact O-N 3.5Å; C50-G54 PolarHBondContact O-N 2.97Å; C50-Y55 HydrophobicContact CB-CD2 3.76Å; C50-Y55 HydrophobicContact CB-CE2 4.35Å; C50-Y55 PolarHBondContact O-N 3.35Å
51Q98.2Very high98.5Very high159 Ų15962.2 Ų62.274%0.74336%0.36SS*.Hα-helixtrans-66-45.9176.8-174.1177.123.500111.4A47 A48 E49 A53 G54A47-Q51 WeakPolarHBondContact O-CB 3.47Å; A47-Q51 PolarHBondContact O-N 3.3Å; A48-Q51 PolarHBondContact O-N 3.49Å; E49-Q51 PolarHBondContact O-N 2.96Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.37Å; Q51-G54 PolarHBondContact O-N 3.06Å
52S98.4Very high98.5Very high106 Ų10660.2 Ų60.274%0.74135%0.345SS*.Hα-helixtrans-64.2-32.3179-57.80000112.3A48 E49 G54A48-S52 WeakPolarHBondContact O-CB 3.48Å; A48-S52 PolarHBondContact O-N 2.9Å; A48-S52 PolarHBondContact O-OG 3.37Å; E49-S52 PolarHBondContact O-N 2.74Å; S52-G54 PolarHBondContact O-N 2.99Å
53A98.3Very high98.6Very high55 Ų5563.3 Ų63.346%0.45536%0.358SS..THydrogen-bonded Turntrans-73.8-5.517400000113.8E49 C50 Q51 Y55E49-A53 WeakPolarHBondContact O-CB 3.21Å; E49-A53 PolarHBondContact O-N 3.37Å; C50-A53 PolarHBondContact O-N 3.5Å; Q51-A53 VanDerWaalsContact C-N 3.26Å; Q51-A53 PolarHBondContact O-N 3.37Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 HydrophobicContact CB-CD1 4.1Å; A53-Y55 HydrophobicContact CB-CD2 4.21Å; A53-Y55 HydrophobicContact CB-CE1 3.75Å; A53-Y55 HydrophobicContact CB-CE2 3.84Å; A53-Y55 HydrophobicContact CB-CG 4.32Å; A53-Y55 PolarHBondContact O-N 2.99Å
54G98.3Very high98.6Very high63 Ų6363.4 Ų63.465%0.64936%0.358SS*.THydrogen-bonded Turntrans70.126.7178.500000113.9C50 Q51 S52C50-G54 PolarHBondContact O-N 2.97Å; Q51-G54 PolarHBondContact O-N 3.06Å; S52-G54 PolarHBondContact O-N 2.99Å
55Y98.6Very high98.6Very high77 Ų7761 Ų6130%0.30235%0.349SS..  trans-65.2145.6176.9-62-28.7000111.5R24 V27 Q28 C50 A53 G57R24-Y55 HydrophobicContact CG-CE2 4.05Å; V27-Y55 HydrophobicContact CG1-CD2 4.14Å; V27-Y55 HydrophobicContact CG1-CG 4.45Å; Q28-Y55 HydrophobicContact CG-CD1 3.7Å; Q28-Y55 HydrophobicContact CG-CD2 3.71Å; Q28-Y55 HydrophobicContact CG-CE1 3.6Å; Q28-Y55 HydrophobicContact CG-CE2 3.64Å; Q28-Y55 HydrophobicContact CG-CG 3.76Å; Q28-Y55 PolarHBondContact NE2-OH 3.37Å; C50-Y55 HydrophobicContact CB-CD2 3.76Å; C50-Y55 HydrophobicContact CB-CE2 4.35Å; C50-Y55 PolarHBondContact O-N 3.35Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 HydrophobicContact CB-CD1 4.1Å; A53-Y55 HydrophobicContact CB-CD2 4.21Å; A53-Y55 HydrophobicContact CB-CE1 3.75Å; A53-Y55 HydrophobicContact CB-CE2 3.84Å; A53-Y55 HydrophobicContact CB-CG 4.32Å; A53-Y55 PolarHBondContact O-N 2.99Å; Y55-G57 VanDerWaalsContact C-N 3.3Å; Y55-G57 PolarHBondContact O-N 3.48Å
56S97.7Very high98.5Very high75 Ų7555 Ų5552%0.52432%0.323SS..SBendtrans-75.7-15.4-172.365.80000114.7G30G30-S56 WeakPolarHBondContact CA-OG 3.21Å; G30-S56 PolarHBondContact N-OG 2.98Å
57G98.6Very high98.5Very high13 Ų1357.4 Ų57.413%0.13434%0.341CS..SBendtrans-94.1-165.9176.800000112.6V27 M31 Y55V27-G57 VanDerWaalsContact O-CA 3.29Å; V27-G57 WeakPolarHBondContact O-CA 3.21Å; V27-G57 PolarHBondContact O-N 2.86Å; M31-G57 WeakPolarHBondContact O-CA 3.36Å; Y55-G57 VanDerWaalsContact C-N 3.3Å; Y55-G57 PolarHBondContact O-N 3.48Å
58T98.8Very high98.5Very high82 Ų8258.8 Ų58.850%0.50335%0.349SS..EExtended strand (participates in β ladder)trans-144.9132.7177.4-52.50000110M31 V33 I60M31-T58 PolarHBondContact O-N 2.99Å; V33-T58 PolarHBondContact N-O 3.39Å; T58-I60 HydrophobicContact CG2-CG1 4.38Å
59L98.9Very high98.5Very high11 Ų1160.4 Ų60.46%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-93.6126.4168.6-175.357.4000109A23 V27 V33 I43 L46 A47A23-L59 HydrophobicContact CB-CD1 4.06Å; V27-L59 HydrophobicContact CG2-CB 3.99Å; V33-L59 HydrophobicContact CB-CD1 3.95Å; V33-L59 HydrophobicContact CG1-CD1 3.76Å; V33-L59 CarbonylContact O-C 3.5Å; V33-L59 WeakPolarHBondContact O-CA 3.47Å; V33-L59 WeakPolarHBondContact O-CD1 3.28Å; I43-L59 HydrophobicContact CG2-CD1 4.34Å; I43-L59 HydrophobicContact CG2-CD2 3.93Å; I43-L59 HydrophobicContact CG2-CG 4.11Å; L46-L59 HydrophobicContact CB-CD2 3.9Å; L46-L59 HydrophobicContact CD2-CD2 3.68Å; L46-L59 HydrophobicContact CG-CD2 3.57Å; A47-L59 HydrophobicContact CB-CB 3.82Å; A47-L59 HydrophobicContact CB-CD2 4.09Å; A47-L59 HydrophobicContact CB-CG 4.05Å
60I98.8Very high98.5Very high35 Ų3562.4 Ų62.418%0.17936%0.358CS..EExtended strand (participates in β ladder)trans-110.6104.3179.3-60.9147.7000106.6K32 V33 V34 G35 T58K32-I60 HydrophobicContact CB-CD1 4.42Å; V33-I60 PolarHBondContact O-N 2.94Å; V34-I60 WeakPolarHBondContact CA-O 3.39Å; V34-I60 HydrophobicContact CG2-CB 4.28Å; V34-I60 HydrophobicContact CG2-CD1 4.11Å; V34-I60 HydrophobicContact CG2-CG2 4.5Å; G35-I60 PolarHBondContact N-O 3.47Å; T58-I60 HydrophobicContact CG2-CG1 4.38Å
61P98.8Very high98.5Very high40 Ų4065.1 Ų65.126%0.2637%0.372SS..EExtended strand (participates in β ladder)trans-67136.8177.2-19.233.3000111.2V40 I43 E44 A47V40-P61 HydrophobicContact CG2-CB 3.68Å; I43-P61 HydrophobicContact CB-CB 4.06Å; I43-P61 HydrophobicContact CG2-CB 3.88Å; I43-P61 HydrophobicContact CG2-CG 4.19Å; E44-P61 HydrophobicContact CB-CG 4.29Å; E44-P61 HydrophobicContact CG-CB 3.73Å; E44-P61 HydrophobicContact CG-CG 3.74Å; A47-P61 HydrophobicContact CB-CG 4.02Å
62Y98.8Very high98.5Very high66 Ų6657.5 Ų57.526%0.25934%0.337SS..EExtended strand (participates in β ladder)trans-138.9128174.4-160.2-82.1000111.2G35 C36 A37 C64 S74 M75 A78G35-Y62 PolarHBondContact O-N 3.48Å; C36-Y62 WeakPolarHBondContact CA-O 3.29Å; C36-Y62 WeakPolarHBondContact CB-O 3.48Å; A37-Y62 PolarHBondContact N-O 3.12Å; Y62-C64 HydrophobicContact CD1-CB 4.13Å; Y62-C64 HydrophobicContact CE1-CB 4.48Å; Y62-S74 PolarHBondContact OH-O 2.91Å; Y62-M75 HydrophobicContact CD1-CB 3.87Å; Y62-M75 HydrophobicContact CD1-CG 3.61Å; Y62-M75 HydrophobicContact CD1-SD 4.12Å; Y62-M75 HydrophobicContact CE1-CB 3.46Å; Y62-M75 VanDerWaalsContact CE1-CB 3.46Å; Y62-M75 HydrophobicContact CE1-CG 3.73Å; Y62-M75 HydrophobicContact CG-CG 4.05Å; Y62-A78 HydrophobicContact CE2-CB 3.63Å
63K98.7Very high98.5Very high146 Ų14655 Ų5564%0.63532%0.315SS*.EExtended strand (participates in β ladder)trans-80.9121.7174.6-173.4180177.3-177.20109.6A37 V40A37-K63 WeakPolarHBondContact O-CA 3.45Å; V40-K63 HydrophobicContact CB-CB 4.04Å; V40-K63 HydrophobicContact CG1-CB 4.27Å; V40-K63 HydrophobicContact CG2-CB 4.43Å
64C98.6Very high98.6Very high1 Ų155.4 Ų55.41%0.00731%0.314CS..  trans-150.7127.1178.81790000109.4C36 A37 R38 Y62 M75C36-C64 HydrophobicContact CB-CB 4.03Å; A37-C64 CarbonylContact C-O 3.17Å; A37-C64 PolarHBondContact O-N 3.05Å; A37-C64 VanDerWaalsContact O-N 3.15Å; R38-C64 PolarHBondContact N-O 3.34Å; Y62-C64 HydrophobicContact CD1-CB 4.13Å; Y62-C64 HydrophobicContact CE1-CB 4.48Å; C64-M75 HydrophobicContact CB-SD 4.17Å
65D98.5Very high98.6Very high52 Ų5252.4 Ų52.428%0.27828%0.283SS..  trans-89.3111.4163.8-161-15.1000110.5R38 S67 C68 D71R38-D65 WeakPolarHBondContact CD-OD1 3.34Å; R38-D65 HydrophobicContact CG-CB 4.04Å; D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 2.77Å; D65-C68 HydrophobicContact CB-CB 4.48Å; D65-C68 WeakPolarHBondContact O-CB 3.45Å; D65-C68 PolarHBondContact O-N 3.29Å; D65-D71 PolarHBondContact N-OD2 3.35Å
66L98.5Very high98.6Very high14 Ų1449.5 Ų49.57%0.07327%0.272CS..THydrogen-bonded Turntrans-72.9-12.5-175.2-67.3171.3000113.2T12 C68 I72 A93 A119T12-L66 HydrophobicContact CG2-CD1 4.39Å; T12-L66 HydrophobicContact CG2-CD2 4.45Å; L66-C68 PolarHBondContact O-N 2.83Å; L66-I72 HydrophobicContact CD2-CD1 4.11Å; L66-I72 HydrophobicContact CD2-CG1 3.85Å; L66-A93 HydrophobicContact CD1-CB 3.19Å; L66-A119 HydrophobicContact CB-CB 3.91Å; L66-A119 WeakPolarHBondContact O-CB 3.46Å
67S97.9Very high98.7Very high59 Ų5949.3 Ų49.341%0.41327%0.271SS..THydrogen-bonded Turntrans-79.1-1.5168.865.80000113.1D65D65-S67 PolarHBondContact O-N 2.93Å; D65-S67 PolarHBondContact OD1-N 3.01Å; D65-S67 PolarHBondContact OD1-OG 2.77Å
68C98.4Very high98.7Very high46 Ų4649.7 Ų49.731%0.31127%0.272SS..  trans-115112.6178.2-178.80000109.7D65 L66 E70 D71 I72D65-C68 HydrophobicContact CB-CB 4.48Å; D65-C68 WeakPolarHBondContact O-CB 3.45Å; D65-C68 PolarHBondContact O-N 3.29Å; L66-C68 PolarHBondContact O-N 2.83Å; C68-E70 VanDerWaalsContact C-N 3.3Å; C68-E70 PolarHBondContact O-N 3.03Å; C68-D71 HydrophobicContact CB-CB 4.04Å; C68-D71 PolarHBondContact O-N 3.23Å; C68-I72 PolarHBondContact O-N 2.96Å
69E98.4Very high98.7Very high82 Ų8245.9 Ų45.938%0.38325%0.249SC..Hα-helixtrans-60.4-39.9179.8-180165.6-156.800111.8D71 I72 L73 I122 R125E69-D71 VanDerWaalsContact C-N 3.29Å; E69-D71 PolarHBondContact O-N 3.49Å; E69-I72 WeakPolarHBondContact O-CA 3.36Å; E69-I72 WeakPolarHBondContact O-CB 3.49Å; E69-I72 PolarHBondContact O-N 2.92Å; E69-L73 HydrophobicContact CG-CD1 4.04Å; E69-L73 HydrophobicContact CG-CG 4.04Å; E69-L73 WeakPolarHBondContact O-CG 3.26Å; E69-L73 PolarHBondContact O-N 3.44Å; E69-I122 HydrophobicContact CB-CD1 4.06Å; E69-I122 HydrophobicContact CG-CD1 3.94Å; E69-I122 HydrophobicContact CG-CG2 4.4Å; E69-R125 IonicContact OE1-CZ 3.37Å; E69-R125 IonicContact OE1-NH1 2.86Å; E69-R125 PolarHBondContact OE1-NH1 3.3Å; E69-R125 IonicContact OE1-NH2 3.59Å; E69-R125 PolarHBondContact OE1-NH2 2.8Å
70E98.7Very high98.7Very high125 Ų12550.2 Ų50.258%0.58427%0.268SS*.Hα-helixtrans-60.3-36.1179.1-65-59134.900112.9C68 I72 S74C68-E70 VanDerWaalsContact C-N 3.3Å; C68-E70 PolarHBondContact O-N 3.03Å; E70-I72 VanDerWaalsContact C-N 3.34Å; E70-S74 VanDerWaalsContact O-CB 3.24Å; E70-S74 WeakPolarHBondContact O-CB 3.41Å; E70-S74 PolarHBondContact O-N 2.79Å; E70-S74 PolarHBondContact O-OG 3.16Å
71D98.7Very high98.6Very high60 Ų6053.8 Ų53.832%0.32129%0.291SS..Hα-helixtrans-65-40.1173.8-88.535.3000110.9D65 C68 E69 M75D65-D71 PolarHBondContact N-OD2 3.35Å; C68-D71 HydrophobicContact CB-CB 4.04Å; C68-D71 PolarHBondContact O-N 3.23Å; E69-D71 VanDerWaalsContact C-N 3.29Å; E69-D71 PolarHBondContact O-N 3.49Å; D71-M75 WeakPolarHBondContact O-CB 3.41Å; D71-M75 PolarHBondContact O-N 2.95Å
72I98.9Very high98.6Very high0 Ų057.7 Ų57.70%031%0.309CS..Hα-helixtrans-66-49.1177.2-60170.6000109.9L66 C68 E69 E70 S74 M75 F76 A119 I122L66-I72 HydrophobicContact CD2-CD1 4.11Å; L66-I72 HydrophobicContact CD2-CG1 3.85Å; C68-I72 PolarHBondContact O-N 2.96Å; E69-I72 WeakPolarHBondContact O-CA 3.36Å; E69-I72 WeakPolarHBondContact O-CB 3.49Å; E69-I72 PolarHBondContact O-N 2.92Å; E70-I72 VanDerWaalsContact C-N 3.34Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å; I72-M75 HydrophobicContact CG2-CE 4.39Å; I72-M75 WeakPolarHBondContact O-CB 3.47Å; I72-M75 PolarHBondContact O-N 2.98Å; I72-M75 VanDerWaalsContact O-N 3.13Å; I72-F76 HydrophobicContact CG2-CD2 3.76Å; I72-F76 HydrophobicContact CG2-CE2 3.77Å; I72-F76 WeakPolarHBondContact O-CD2 3.31Å; I72-F76 PolarHBondContact O-N 3.49Å; I72-A119 HydrophobicContact CD1-CB 4.03Å; I72-I122 HydrophobicContact CB-CG2 4.21Å; I72-I122 HydrophobicContact CD1-CB 4.29Å; I72-I122 HydrophobicContact CD1-CD1 4.29Å; I72-I122 HydrophobicContact CD1-CG2 4.13Å; I72-I122 HydrophobicContact CG2-CG2 3.67Å
73L98.9Very high98.6Very high54 Ų5456.6 Ų56.628%0.28331%0.306SS..Hα-helixtrans-61.3-41.6179.4-63.6-178.3000111.5E69 M75 F76 S77 E126E69-L73 HydrophobicContact CG-CD1 4.04Å; E69-L73 HydrophobicContact CG-CG 4.04Å; E69-L73 WeakPolarHBondContact O-CG 3.26Å; E69-L73 PolarHBondContact O-N 3.44Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 2.72Å; L73-F76 PolarHBondContact O-N 2.97Å; L73-S77 WeakPolarHBondContact O-CB 3.33Å; L73-S77 PolarHBondContact O-N 3.48Å; L73-E126 HydrophobicContact CD2-CG 4.02Å
74S98.8Very high98.5Very high63 Ų6356.8 Ų56.844%0.44131%0.309SS..Hα-helixtrans-61.3-42.1174.4-63.50000111.8Y62 E70 I72 S77 A78Y62-S74 PolarHBondContact OH-O 2.91Å; E70-S74 VanDerWaalsContact O-CB 3.24Å; E70-S74 WeakPolarHBondContact O-CB 3.41Å; E70-S74 PolarHBondContact O-N 2.79Å; E70-S74 PolarHBondContact O-OG 3.16Å; I72-S74 VanDerWaalsContact C-N 3.31Å; I72-S74 PolarHBondContact O-N 3.4Å; S74-S77 PolarHBondContact O-N 2.96Å; S74-A78 WeakPolarHBondContact O-CB 3.5Å; S74-A78 PolarHBondContact O-N 3.37Å
75M98.8Very high98.5Very high0 Ų056.8 Ų56.80%031%0.31CS..Hα-helixtrans-59.9-50.1174.1-180-17665.200111.7L10 C36 Y62 C64 D71 I72 L73 S77 A78 I79L10-M75 HydrophobicContact CD1-CE 3.86Å; L10-M75 HydrophobicContact CD1-SD 3.82Å; L10-M75 HydrophobicContact CD2-CE 3.82Å; C36-M75 HydrophobicContact CB-SD 3.49Å; C36-M75 WeakPolarHBondContact CB-SD 3.44Å; Y62-M75 HydrophobicContact CD1-CB 3.87Å; Y62-M75 HydrophobicContact CD1-CG 3.61Å; Y62-M75 HydrophobicContact CD1-SD 4.12Å; Y62-M75 HydrophobicContact CE1-CB 3.46Å; Y62-M75 VanDerWaalsContact CE1-CB 3.46Å; Y62-M75 HydrophobicContact CE1-CG 3.73Å; Y62-M75 HydrophobicContact CG-CG 4.05Å; C64-M75 HydrophobicContact CB-SD 4.17Å; D71-M75 WeakPolarHBondContact O-CB 3.41Å; D71-M75 PolarHBondContact O-N 2.95Å; I72-M75 HydrophobicContact CG2-CE 4.39Å; I72-M75 WeakPolarHBondContact O-CB 3.47Å; I72-M75 PolarHBondContact O-N 2.98Å; I72-M75 VanDerWaalsContact O-N 3.13Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 2.72Å; M75-S77 VanDerWaalsContact C-N 3.31Å; M75-S77 PolarHBondContact O-N 3.12Å; M75-A78 PolarHBondContact O-N 2.84Å; M75-I79 HydrophobicContact CG-CD1 3.95Å; M75-I79 HydrophobicContact CG-CG1 4.44Å; M75-I79 VanDerWaalsContact O-CG1 3.26Å; M75-I79 WeakPolarHBondContact O-CG1 3.48Å; M75-I79 PolarHBondContact O-N 3.32Å
76F98.9Very high98.5Very high15 Ų1554.3 Ų54.37%0.06630%0.296CS..Hα-helixtrans-63-37.6179-85.6-88.2000112.6L10 I72 L73 I79 K80 V86 C123 E126 A127L10-F76 HydrophobicContact CD2-CE1 4.15Å; L10-F76 HydrophobicContact CD2-CE2 3.83Å; L10-F76 HydrophobicContact CD2-CZ 3.42Å; L10-F76 VanDerWaalsContact CD2-CZ 3.42Å; I72-F76 HydrophobicContact CG2-CD2 3.76Å; I72-F76 HydrophobicContact CG2-CE2 3.77Å; I72-F76 WeakPolarHBondContact O-CD2 3.31Å; I72-F76 PolarHBondContact O-N 3.49Å; L73-F76 PolarHBondContact O-N 2.97Å; F76-I79 PolarHBondContact O-N 3.17Å; F76-K80 WeakPolarHBondContact O-CB 3.21Å; F76-K80 PolarHBondContact O-N 3.46Å; F76-V86 HydrophobicContact CD1-CG2 4.17Å; F76-V86 HydrophobicContact CE1-CB 4.43Å; F76-V86 HydrophobicContact CE1-CG2 3.82Å; F76-C123 HydrophobicContact CE2-CB 4.27Å; F76-C123 HydrophobicContact CZ-CB 4.3Å; F76-C123 WeakPolarHBondContact CZ-O 3.3Å; F76-E126 HydrophobicContact CB-CB 4.3Å; F76-E126 HydrophobicContact CD1-CB 3.52Å; F76-E126 HydrophobicContact CD2-CB 3.59Å; F76-E126 HydrophobicContact CD2-CG 4.02Å; F76-E126 HydrophobicContact CE1-CB 3.57Å; F76-E126 HydrophobicContact CE2-CB 3.66Å; F76-E126 HydrophobicContact CE2-CG 4.3Å; F76-E126 HydrophobicContact CG-CB 3.52Å; F76-E126 HydrophobicContact CG-CG 4.2Å; F76-E126 HydrophobicContact CZ-CB 3.64Å; F76-A127 HydrophobicContact CE1-CB 4.15Å; F76-A127 HydrophobicContact CZ-CB 4.38Å
77S98.8Very high98.5Very high71 Ų7154.2 Ų54.250%0.49730%0.296SS..Hα-helixtrans-60.8-43.9172.8-176.50000112.4L73 S74 M75 K80 T81L73-S77 WeakPolarHBondContact O-CB 3.33Å; L73-S77 PolarHBondContact O-N 3.48Å; S74-S77 PolarHBondContact O-N 2.96Å; M75-S77 VanDerWaalsContact C-N 3.31Å; M75-S77 PolarHBondContact O-N 3.12Å; S77-K80 PolarHBondContact O-N 3.5Å; S77-T81 WeakPolarHBondContact O-CB 3.34Å; S77-T81 PolarHBondContact O-N 3.36Å; S77-T81 PolarHBondContact O-OG1 2.94Å
78A98.8Very high98.6Very high21 Ų2151.4 Ų51.417%0.17428%0.276CS..Hα-helixtrans-64.5-44175.600000112Y62 S74 M75 K80 T81 L82Y62-A78 HydrophobicContact CE2-CB 3.63Å; S74-A78 WeakPolarHBondContact O-CB 3.5Å; S74-A78 PolarHBondContact O-N 3.37Å; M75-A78 PolarHBondContact O-N 2.84Å; A78-K80 VanDerWaalsContact C-N 3.35Å; A78-K80 PolarHBondContact O-N 2.96Å; A78-T81 PolarHBondContact O-N 2.77Å; A78-L82 WeakPolarHBondContact O-CB 3.19Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 3.07Å
79I98.8Very high98.6Very high3 Ų349.2 Ų49.22%0.01526%0.262CS..Hα-helixtrans-60.3-45.8176.7-64170.4000110.7V8 L10 V34 M75 F76 T81 H83 Q84 V86V8-I79 HydrophobicContact CG1-CG2 4.23Å; L10-I79 HydrophobicContact CD1-CD1 4.24Å; V34-I79 HydrophobicContact CB-CD1 4.17Å; V34-I79 HydrophobicContact CB-CG1 4.4Å; V34-I79 HydrophobicContact CG1-CD1 3.88Å; V34-I79 HydrophobicContact CG1-CG1 4.03Å; V34-I79 HydrophobicContact CG2-CD1 4.31Å; V34-I79 HydrophobicContact CG2-CG1 4.07Å; M75-I79 HydrophobicContact CG-CD1 3.95Å; M75-I79 HydrophobicContact CG-CG1 4.44Å; M75-I79 VanDerWaalsContact O-CG1 3.26Å; M75-I79 WeakPolarHBondContact O-CG1 3.48Å; M75-I79 PolarHBondContact O-N 3.32Å; F76-I79 PolarHBondContact O-N 3.17Å; I79-T81 VanDerWaalsContact C-N 3.33Å; I79-T81 PolarHBondContact O-N 3.04Å; I79-H83 HydrophobicContact CG2-CB 4.29Å; I79-H83 CarbonylContact O-C 3.55Å; I79-H83 VanDerWaalsContact O-C 3.3Å; I79-H83 VanDerWaalsContact O-CA 3.24Å; I79-H83 WeakPolarHBondContact O-CA 3.4Å; I79-H83 WeakPolarHBondContact O-CB 3.34Å; I79-H83 PolarHBondContact O-N 3.11Å; I79-Q84 PolarHBondContact O-N 3.49Å; I79-V86 HydrophobicContact CD1-CG2 4.01Å; I79-V86 HydrophobicContact CG2-CG2 3.76Å
80K98.6Very high98.6Very high102 Ų10245.3 Ų45.344%0.44324%0.243SC..Hα-helixtrans-57.2-47.3176.7179.1174.3-179.5165.80111.5F76 S77 A78 Q84 E133F76-K80 WeakPolarHBondContact O-CB 3.21Å; F76-K80 PolarHBondContact O-N 3.46Å; S77-K80 PolarHBondContact O-N 3.5Å; A78-K80 VanDerWaalsContact C-N 3.35Å; A78-K80 PolarHBondContact O-N 2.96Å; K80-Q84 CarbonylContact O-C 3.6Å; K80-Q84 WeakPolarHBondContact O-CA 3.4Å; K80-Q84 PolarHBondContact O-N 3.09Å; K80-Q84 VanDerWaalsContact O-N 3.14Å; K80-E133 WeakPolarHBondContact CD-OE1 3.4Å; K80-E133 VanDerWaalsContact CE-OE1 3.28Å; K80-E133 WeakPolarHBondContact CE-OE1 3.15Å; K80-E133 VanDerWaalsContact NZ-CD 3.32Å; K80-E133 IonicContact NZ-OE1 3.39Å; K80-E133 PolarHBondContact NZ-OE1 3.34Å; K80-E133 IonicContact NZ-OE2 3.39Å; K80-E133 PolarHBondContact NZ-OE2 3.09Å
81T98.4Very high98.7Very high110 Ų11039.6 Ų39.668%0.67522%0.217SC*.Hα-helixtrans-69.1-44.7-176.7-56.80000112.6S77 A78 I79S77-T81 WeakPolarHBondContact O-CB 3.34Å; S77-T81 PolarHBondContact O-N 3.36Å; S77-T81 PolarHBondContact O-OG1 2.94Å; A78-T81 PolarHBondContact O-N 2.77Å; I79-T81 VanDerWaalsContact C-N 3.33Å; I79-T81 PolarHBondContact O-N 3.04Å
82L98.1Very high98.7Very high121 Ų12137.7 Ų37.763%0.63421%0.207SC*.Hα-helixtrans-93.8-24.6-170.7-60.7174.3000113.4A78A78-L82 WeakPolarHBondContact O-CB 3.19Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 3.07Å
83H98Very high98.6Very high43 Ų4338.6 Ų38.620%0.19921%0.214CC..Hα-helixtrans-135.613.2-168.6-49.7-48.2000113.1V8 I79 G85V8-H83 HydrophobicContact CG2-CB 4.11Å; V8-H83 WeakPolarHBondContact CG2-O 3.31Å; I79-H83 HydrophobicContact CG2-CB 4.29Å; I79-H83 CarbonylContact O-C 3.55Å; I79-H83 VanDerWaalsContact O-C 3.3Å; I79-H83 VanDerWaalsContact O-CA 3.24Å; I79-H83 WeakPolarHBondContact O-CA 3.4Å; I79-H83 WeakPolarHBondContact O-CB 3.34Å; I79-H83 PolarHBondContact O-N 3.11Å; H83-G85 PolarHBondContact O-N 3.36Å
84Q97.3Very high98.5Very high150 Ų15037.5 Ų37.570%0.70122%0.215SC*.SBendtrans71.5-40.1178.9-51.417415.600114.6I79 K80 R134I79-Q84 PolarHBondContact O-N 3.49Å; K80-Q84 CarbonylContact O-C 3.6Å; K80-Q84 WeakPolarHBondContact O-CA 3.4Å; K80-Q84 PolarHBondContact O-N 3.09Å; K80-Q84 VanDerWaalsContact O-N 3.14Å; Q84-R134 WeakPolarHBondContact O-CD 3.14Å
85G98.5Very high98.5Very high1 Ų135.9 Ų35.91%0.0120%0.202CC..  trans161.4-175.6177.200000113.3V8 H83 S130V8-G85 WeakPolarHBondContact CB-O 3.43Å; V8-G85 WeakPolarHBondContact CG1-O 3.36Å; V8-G85 WeakPolarHBondContact CG2-O 3.29Å; H83-G85 PolarHBondContact O-N 3.36Å; G85-S130 VanDerWaalsContact CA-OG 3.24Å; G85-S130 WeakPolarHBondContact CA-OG 3.43Å
86V98.9Very high98.4Very high0 Ų036.1 Ų36.10%020%0.204CC..  trans-102.6126-178.6178.60000110.9L10 F76 I79 V88 C89 A127 S130 M131 R134L10-V86 HydrophobicContact CB-CG1 3.98Å; L10-V86 HydrophobicContact CB-CG2 4.22Å; F76-V86 HydrophobicContact CD1-CG2 4.17Å; F76-V86 HydrophobicContact CE1-CB 4.43Å; F76-V86 HydrophobicContact CE1-CG2 3.82Å; I79-V86 HydrophobicContact CD1-CG2 4.01Å; I79-V86 HydrophobicContact CG2-CG2 3.76Å; V86-V88 VanDerWaalsContact CG1-O 3.23Å; V86-V88 WeakPolarHBondContact CG1-O 3.47Å; V86-C89 HydrophobicContact CG1-CB 4.27Å; V86-A127 HydrophobicContact CG1-CB 4.22Å; V86-S130 PolarHBondContact N-OG 2.88Å; V86-M131 VanDerWaalsContact O-CG 3.27Å; V86-M131 WeakPolarHBondContact O-CG 3.1Å; V86-R134 PolarHBondContact O-NH2 2.87Å
87D98.9Very high98.3Very high13 Ų1337.8 Ų37.87%0.0721%0.212CC..SBendtrans-103-29.2176.1-66-45.1000113.1R7 V8 M131 R134 G139 H140R7-D87 HydrophobicContact CB-CB 4.18Å; R7-D87 VanDerWaalsContact CB-OD2 3.29Å; R7-D87 WeakPolarHBondContact CB-OD2 3.21Å; R7-D87 IonicContact CZ-OD1 2.66Å; R7-D87 IonicContact CZ-OD2 2.58Å; R7-D87 IonicContact NE-OD1 3.41Å; R7-D87 IonicContact NE-OD2 3.15Å; R7-D87 PolarHBondContact NE-OD2 3.06Å; R7-D87 IonicContact NH2-OD1 3.29Å; R7-D87 PolarHBondContact NH2-OD1 3.35Å; R7-D87 IonicContact NH2-OD2 3.08Å; V8-D87 PolarHBondContact N-OD2 3.24Å; V8-D87 WeakPolarHBondContact O-CB 3.46Å; V8-D87 PolarHBondContact O-N 2.73Å; D87-M131 WeakPolarHBondContact O-CE 3.44Å; D87-R134 IonicContact OD1-CZ 2.7Å; D87-R134 IonicContact OD1-NH1 2.95Å; D87-R134 PolarHBondContact OD1-NH1 3.4Å; D87-R134 IonicContact OD1-NH2 3.66Å; D87-R134 PolarHBondContact OD1-NH2 3.1Å; D87-G139 WeakPolarHBondContact O-CA 3.41Å; D87-H140 PolarHBondContact O-N 3.2Å
88V98.9Very high98.1Very high0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans-129.5127.7174.9176.90000109.1W4 V8 A9 L10 M31 V86 I90 H140 L235W4-V88 HydrophobicContact CD2-CG2 4.21Å; W4-V88 HydrophobicContact CE3-CG2 3.61Å; W4-V88 HydrophobicContact CH2-CG2 3.66Å; W4-V88 HydrophobicContact CZ2-CG2 4.21Å; W4-V88 HydrophobicContact CZ3-CG2 3.34Å; V8-V88 PolarHBondContact O-N 2.74Å; A9-V88 CarbonylContact C-O 3.58Å; A9-V88 WeakPolarHBondContact CA-O 3.41Å; A9-V88 HydrophobicContact CB-CB 4Å; A9-V88 HydrophobicContact CB-CG1 4.35Å; L10-V88 PolarHBondContact N-O 3.11Å; M31-V88 HydrophobicContact CE-CB 4.27Å; M31-V88 HydrophobicContact CE-CG2 3.92Å; V86-V88 VanDerWaalsContact CG1-O 3.23Å; V86-V88 WeakPolarHBondContact CG1-O 3.47Å; V88-I90 HydrophobicContact CG1-CD1 3.62Å; V88-I90 HydrophobicContact CG1-CG1 4.25Å; V88-H140 CarbonylContact C-O 3.38Å; V88-H140 WeakPolarHBondContact CA-O 3.41Å; V88-H140 HydrophobicContact CG2-CB 4.34Å; V88-L235 HydrophobicContact CG1-CD1 4.34Å; V88-L235 HydrophobicContact CG1-CD2 3.92Å; V88-L235 HydrophobicContact CG2-CD2 3.96Å
89C98.9Very high97.9Very high0 Ų037.7 Ų37.70%020%0.201CC..EExtended strand (participates in β ladder)trans-114.8118.2175.3-175.10000109.4V86 A127 H140 I141 I142V86-C89 HydrophobicContact CG1-CB 4.27Å; C89-A127 HydrophobicContact CB-CB 3.61Å; C89-H140 PolarHBondContact N-O 2.71Å; C89-I141 HydrophobicContact CB-CG1 4.25Å; C89-I141 HydrophobicContact CB-CG2 4.38Å; C89-I141 CarbonylContact O-C 3.53Å; C89-I141 WeakPolarHBondContact O-CA 3.24Å; C89-I142 PolarHBondContact O-N 3.19Å
90I98.9Very high97.8Very high0 Ų038.6 Ų38.60%021%0.208CC..EExtended strand (participates in β ladder)trans-104.5100.3172.9-45.6-59000108.2L10 V11 T12 V22 L26 V88 N92 I142 I144 V231L10-I90 PolarHBondContact O-N 2.8Å; V11-I90 HydrophobicContact CG1-CB 4.43Å; V11-I90 HydrophobicContact CG2-CB 4.16Å; V11-I90 HydrophobicContact CG2-CG1 3.98Å; T12-I90 PolarHBondContact N-O 3.09Å; T12-I90 PolarHBondContact OG1-O 2.65Å; V22-I90 HydrophobicContact CG1-CG1 4.2Å; V22-I90 HydrophobicContact CG1-CG2 4.25Å; L26-I90 HydrophobicContact CD1-CG1 4.25Å; V88-I90 HydrophobicContact CG1-CD1 3.62Å; V88-I90 HydrophobicContact CG1-CG1 4.25Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 HydrophobicContact CG2-CB 4.07Å; I90-N92 PolarHBondContact O-N 3Å; I90-I142 CarbonylContact C-O 3.56Å; I90-I142 WeakPolarHBondContact CA-O 3.32Å; I90-I142 HydrophobicContact CD1-CB 3.78Å; I90-I142 HydrophobicContact CD1-CD1 3.81Å; I90-I142 HydrophobicContact CD1-CG1 4.05Å; I90-I144 HydrophobicContact CG2-CD1 4.32Å; I90-I144 HydrophobicContact CG2-CG1 4.28Å; I90-V231 HydrophobicContact CD1-CG1 4.06Å
91N98.9Very high97.8Very high5 Ų538.1 Ų38.13%0.02721%0.209CC..EExtended strand (participates in β ladder)trans-79.483.7171.9-67.5-49.9000109.1L120 C123 T124 I142 N143 I144N91-L120 HydrophobicContact CB-CB 4.31Å; N91-L120 HydrophobicContact CB-CD1 3.8Å; N91-L120 HydrophobicContact CB-CG 3.7Å; N91-L120 PolarHBondContact ND2-O 3.27Å; N91-C123 WeakPolarHBondContact OD1-CB 3.22Å; N91-T124 PolarHBondContact ND2-OG1 2.93Å; N91-I142 PolarHBondContact N-O 3.31Å; N91-N143 WeakPolarHBondContact CB-OD1 3.38Å; N91-N143 PolarHBondContact ND2-OD1 2.77Å; N91-I144 PolarHBondContact O-N 3.14Å
92N98.9Very high97.8Very high20 Ų2041.4 Ų41.411%0.10722%0.222CC..  trans-100.7-32-178.2159.389000113.4T12 G13 I18 G19 I90 G94 I144T12-N92 VanDerWaalsContact O-CB 3.25Å; T12-N92 WeakPolarHBondContact O-CB 3.32Å; T12-N92 PolarHBondContact O-ND2 2.91Å; T12-N92 PolarHBondContact OG1-N 2.88Å; G13-N92 PolarHBondContact O-ND2 2.78Å; I18-N92 VanDerWaalsContact CB-OD1 3.31Å; I18-N92 WeakPolarHBondContact CB-OD1 3.35Å; I18-N92 WeakPolarHBondContact CG2-OD1 3.4Å; G19-N92 WeakPolarHBondContact CA-ND2 3.27Å; G19-N92 PolarHBondContact N-ND2 3.03Å; G19-N92 PolarHBondContact N-OD1 2.8Å; I90-N92 VanDerWaalsContact C-N 3.32Å; I90-N92 HydrophobicContact CG2-CB 4.07Å; I90-N92 PolarHBondContact O-N 3Å; N92-G94 PolarHBondContact O-N 2.98Å; N92-I144 HydrophobicContact CB-CB 4.41Å; N92-I144 HydrophobicContact CB-CG1 3.65Å
93A98.1Very high97.7Very high19 Ų1940.3 Ų40.316%0.15722%0.224CC..  trans-54.8130.3-178.100000111.1T12 L66 V115T12-A93 PolarHBondContact O-N 2.88Å; T12-A93 PolarHBondContact OG1-N 3.15Å; L66-A93 HydrophobicContact CD1-CB 3.19Å; A93-V115 HydrophobicContact CB-CG1 4.39Å
94G97.1Very high97.7Very high30 Ų3038.9 Ų38.931%0.30922%0.221SC..  trans-171158.5178.400000111.1N92 N116N92-G94 PolarHBondContact O-N 2.98Å; G94-N116 WeakPolarHBondContact CA-OD1 3.4Å
95L97.6Very high97.7Very high29 Ų2938.8 Ų38.815%0.15222%0.218CC..  trans-151.3164.3-179.158.685.3000111.1H97 N111 M112 V115 N116 Y161L95-H97 WeakPolarHBondContact CD1-NE2 3.19Å; L95-N111 VanDerWaalsContact CD2-OD1 3.28Å; L95-N111 WeakPolarHBondContact CD2-OD1 3.34Å; L95-M112 HydrophobicContact CD1-CG 3.72Å; L95-V115 HydrophobicContact CD2-CB 4.36Å; L95-V115 HydrophobicContact CD2-CG1 4.46Å; L95-V115 HydrophobicContact CD2-CG2 4.12Å; L95-N116 PolarHBondContact N-OD1 3.45Å; L95-N116 PolarHBondContact O-ND2 3.22Å; L95-N116 PolarHBondContact O-OD1 2.87Å; L95-Y161 WeakPolarHBondContact O-CD2 3.49Å
96A97.1Very high97.7Very high5 Ų542 Ų424%0.04124%0.238CC..  trans-130.7142.116900000109M112 Y161 F200 H204A96-M112 HydrophobicContact CB-SD 4.44Å; A96-Y161 HydrophobicContact CB-CD2 3.72Å; A96-Y161 HydrophobicContact CB-CE2 4.46Å; A96-Y161 HydrophobicContact CB-CG 3.81Å; A96-F200 HydrophobicContact CB-CE1 4.08Å; A96-F200 HydrophobicContact CB-CE2 4.4Å; A96-F200 HydrophobicContact CB-CZ 3.58Å; A96-H204 HydrophobicContact CB-CB 4.39Å; A96-H204 VanDerWaalsContact CB-ND1 3.32Å; A96-H204 WeakPolarHBondContact CB-ND1 3.23Å; A96-H204 WeakPolarHBondContact O-CA 3.45Å; A96-H204 PolarHBondContact O-ND1 3.29Å
97H96.3Very high97.7Very high51 Ų5147.1 Ų47.124%0.23627%0.266CS..  trans-110.6142.7167.7-65.8-70000109.1L95 E99 G108 M112L95-H97 WeakPolarHBondContact CD1-NE2 3.19Å; H97-E99 HydrophobicContact CB-CG 3.73Å; H97-E99 PolarHBondContact O-N 3.45Å; H97-G108 PolarHBondContact CD2-O 2.84Å; H97-M112 HydrophobicContact CB-CE 4.07Å; H97-M112 PolarHBondContact N-SD 2.81Å; H97-M112 VanDerWaalsContact N-SD 3.45Å
98N94.1Very high97.6Very high52 Ų5246.8 Ų46.828%0.27827%0.265SS..  trans-72.277.6171.5-1760.2000110D157N98-D157 HydrophobicContact CB-CB 4.42Å; N98-D157 PolarHBondContact ND2-OD2 3.35Å; N98-D157 VanDerWaalsContact ND2-OD2 3.1Å; N98-D157 WeakPolarHBondContact OD1-CB 3.39Å; N98-D157 PolarHBondContact OD1-OD1 2.9Å; N98-D157 PolarHBondContact OD1-OD2 3.17Å
99E96.1Very high97.6Very high37 Ų3749.2 Ų49.217%0.17327%0.274CS..  trans-129.884.6-178.5-60.7-66.9-173.700109.4H97 G104 K105 W109H97-E99 HydrophobicContact CB-CG 3.73Å; H97-E99 PolarHBondContact O-N 3.45Å; E99-G104 VanDerWaalsContact OE2-CA 3.23Å; E99-G104 WeakPolarHBondContact OE2-CA 3.32Å; E99-K105 PolarHBondContact OE2-N 3.1Å; E99-W109 PolarHBondContact O-NE1 3.12Å
100P96.8Very high97.6Very high23 Ų2355.9 Ų55.915%0.14930%0.299CS..  trans-61.3149-177.5-25.535.7000113.3L102 S103 G104 A156P100-L102 PolarHBondContact O-N 3.21Å; P100-S103 PolarHBondContact O-N 3.16Å; P100-S103 VanDerWaalsContact O-N 3.14Å; P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.2Å; P100-G104 PolarHBondContact O-N 3.19Å; P100-A156 HydrophobicContact CB-CB 4.07Å; P100-A156 HydrophobicContact CG-CB 4.46Å
101L98.1Very high97.6Very high92 Ų9258.3 Ų58.348%0.48231%0.312SS..THydrogen-bonded Turntrans-58.9-26.3-175.4-61.4-179.2000115.2H159 F160L101-H159 HydrophobicContact CD1-CB 3.97Å; L101-H159 HydrophobicContact CG-CB 3.99Å; L101-F160 HydrophobicContact CD2-CB 4.15Å; L101-F160 HydrophobicContact CD2-CD2 3.89Å
102L97.9Very high97.5Very high178 Ų17858 Ų5893%0.93231%0.311SS*.THydrogen-bonded Turntrans-91.5-13.3-176.8-58.7-177.7000113.9P100P100-L102 PolarHBondContact O-N 3.21Å
103S97.3Very high97.5Very high98 Ų9860.7 Ų60.769%0.68532%0.324SS*.THydrogen-bonded Turntrans-150-2.4-169.861.90000115P100P100-S103 PolarHBondContact O-N 3.16Å; P100-S103 VanDerWaalsContact O-N 3.14Å
104G96.8Very high97.6Very high13 Ų1362.5 Ų62.513%0.13433%0.331CS..  trans-72152.7-17400000112.9E99 P100E99-G104 VanDerWaalsContact OE2-CA 3.23Å; E99-G104 WeakPolarHBondContact OE2-CA 3.32Å; P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.2Å; P100-G104 PolarHBondContact O-N 3.19Å
105K97.6Very high97.6Very high148 Ų14861.9 Ų61.964%0.64332%0.321SS*.  trans-78.8128.2174.4-59.4175.2-176.4171.20109.8E99 D107 G108 W109E99-K105 PolarHBondContact OE2-N 3.1Å; K105-D107 PolarHBondContact O-N 3.49Å; K105-D107 VanDerWaalsContact O-N 3.1Å; K105-G108 PolarHBondContact O-N 2.93Å; K105-G108 VanDerWaalsContact O-N 3.08Å; K105-W109 PolarHBondContact O-N 2.87Å
106T98.4Very high97.7Very high68 Ų6860.5 Ų60.542%0.41731%0.314SS..Hα-helixtrans-55.3-30.9177.9-49.40000113.3G108 W109 R110T106-G108 VanDerWaalsContact C-N 3.33Å; T106-G108 PolarHBondContact O-N 3.31Å; T106-W109 HydrophobicContact CG2-CE3 4.42Å; T106-W109 WeakPolarHBondContact O-CB 3.29Å; T106-W109 PolarHBondContact O-N 3.39Å; T106-R110 HydrophobicContact CG2-CG 4.39Å; T106-R110 WeakPolarHBondContact O-CG 3.44Å; T106-R110 PolarHBondContact O-N 2.78Å
107D98.2Very high97.8Very high109 Ų10961.5 Ų61.558%0.58332%0.32SS*.Hα-helixtrans-67.3-33.4-179.5-67.1-21.2000112.8K105 R110 N111K105-D107 PolarHBondContact O-N 3.49Å; K105-D107 VanDerWaalsContact O-N 3.1Å; D107-R110 PolarHBondContact O-N 2.8Å; D107-R110 IonicContact OD1-CZ 3.75Å; D107-R110 IonicContact OD1-NH1 2.72Å; D107-R110 PolarHBondContact OD1-NH1 3.04Å; D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 2.88Å
108G97.6Very high97.9Very high6 Ų663.2 Ų63.26%0.06233%0.33CS..Hα-helixtrans-69.9-35.9172.300000112H97 K105 T106 M112H97-G108 PolarHBondContact CD2-O 2.84Å; K105-G108 PolarHBondContact O-N 2.93Å; K105-G108 VanDerWaalsContact O-N 3.08Å; T106-G108 VanDerWaalsContact C-N 3.33Å; T106-G108 PolarHBondContact O-N 3.31Å; G108-M112 WeakPolarHBondContact O-CE 3.33Å; G108-M112 PolarHBondContact O-N 2.77Å
109W98.6Very high98.1Very high51 Ų5160.9 Ų60.919%0.19332%0.318CS..Hα-helixtrans-63.6-45.6172.3-63.8-16.2000112.5E99 K105 T106 M112 I113 F160E99-W109 PolarHBondContact O-NE1 3.12Å; K105-W109 PolarHBondContact O-N 2.87Å; T106-W109 HydrophobicContact CG2-CE3 4.42Å; T106-W109 WeakPolarHBondContact O-CB 3.29Å; T106-W109 PolarHBondContact O-N 3.39Å; W109-M112 PolarHBondContact O-N 3.18Å; W109-I113 PolarHBondContact O-N 2.84Å; W109-F160 HydrophobicContact CB-CD1 4.14Å; W109-F160 HydrophobicContact CB-CD2 4.17Å; W109-F160 HydrophobicContact CB-CE1 3.64Å; W109-F160 HydrophobicContact CB-CE2 3.7Å; W109-F160 HydrophobicContact CB-CG 4.37Å; W109-F160 HydrophobicContact CB-CZ 3.41Å; W109-F160 VanDerWaalsContact CB-CZ 3.41Å; W109-F160 AromaticContact CD1-CD1 3.76Å; W109-F160 AromaticContact CD1-CD2 3.5Å; W109-F160 AromaticContact CD1-CE2 3.95Å; W109-F160 AromaticContact CD1-CG 3.39Å; W109-F160 AromaticContact CD2-CD2 3.97Å; W109-F160 HydrophobicContact CD2-CD2 3.97Å; W109-F160 AromaticContact CD2-CE2 3.96Å; W109-F160 HydrophobicContact CD2-CE2 3.96Å; W109-F160 HydrophobicContact CE3-CE2 4.48Å; W109-F160 HydrophobicContact CG-CD1 4.11Å; W109-F160 AromaticContact CG-CD2 3.62Å; W109-F160 HydrophobicContact CG-CD2 3.62Å; W109-F160 HydrophobicContact CG-CE1 4.06Å; W109-F160 AromaticContact CG-CE2 3.58Å; W109-F160 HydrophobicContact CG-CE2 3.58Å; W109-F160 AromaticContact CG-CG 3.89Å; W109-F160 HydrophobicContact CG-CG 3.89Å; W109-F160 AromaticContact CG-CZ 3.81Å; W109-F160 HydrophobicContact CG-CZ 3.81Å; W109-F160 AromaticContact NE1-CD2 3.78Å; W109-F160 AromaticContact NE1-CG 3.87Å; W109-F160 VanDerWaalsContact O-CE1 3.3Å; W109-F160 WeakPolarHBondContact O-CE1 3.39Å
110R98.7Very high98.3Very high140 Ų14059.7 Ų59.753%0.52831%0.313SS..Hα-helixtrans-58.3-50.4174.6-73.9174-177.1145.6-4.6111T106 D107 M112 I113 D114T106-R110 HydrophobicContact CG2-CG 4.39Å; T106-R110 WeakPolarHBondContact O-CG 3.44Å; T106-R110 PolarHBondContact O-N 2.78Å; D107-R110 PolarHBondContact O-N 2.8Å; D107-R110 IonicContact OD1-CZ 3.75Å; D107-R110 IonicContact OD1-NH1 2.72Å; D107-R110 PolarHBondContact OD1-NH1 3.04Å; R110-M112 VanDerWaalsContact C-N 3.32Å; R110-M112 PolarHBondContact O-N 3.01Å; R110-I113 CarbonylContact O-C 3.6Å; R110-I113 WeakPolarHBondContact O-CA 3.49Å; R110-I113 WeakPolarHBondContact O-CB 3.13Å; R110-I113 PolarHBondContact O-N 2.58Å; R110-D114 WeakPolarHBondContact O-CB 3.47Å; R110-D114 PolarHBondContact O-N 3.13Å
111N98.5Very high98.4Very high50 Ų5060.4 Ų60.427%0.26732%0.319SS..Hα-helixtrans-57.9-43.6179.1-166.2-49.3000112.4L95 D107 I113 D114 V115L95-N111 VanDerWaalsContact CD2-OD1 3.28Å; L95-N111 WeakPolarHBondContact CD2-OD1 3.34Å; D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 2.88Å; N111-I113 PolarHBondContact O-N 3.08Å; N111-D114 PolarHBondContact O-N 3.14Å; N111-V115 PolarHBondContact O-N 3.37Å
112M98.7Very high98.4Very high0 Ų056.4 Ų56.40%030%0.298CS..Hα-helixtrans-60.9-41.7174.1-81.5-174.6-75.800112.5L95 A96 H97 G108 W109 R110 N116 F160 T164L95-M112 HydrophobicContact CD1-CG 3.72Å; A96-M112 HydrophobicContact CB-SD 4.44Å; H97-M112 HydrophobicContact CB-CE 4.07Å; H97-M112 PolarHBondContact N-SD 2.81Å; H97-M112 VanDerWaalsContact N-SD 3.45Å; G108-M112 WeakPolarHBondContact O-CE 3.33Å; G108-M112 PolarHBondContact O-N 2.77Å; W109-M112 PolarHBondContact O-N 3.18Å; R110-M112 VanDerWaalsContact C-N 3.32Å; R110-M112 PolarHBondContact O-N 3.01Å; M112-N116 WeakPolarHBondContact O-CA 3.22Å; M112-N116 WeakPolarHBondContact O-CB 3.46Å; M112-N116 PolarHBondContact O-N 3.38Å; M112-F160 HydrophobicContact CB-CD1 4.16Å; M112-F160 HydrophobicContact CB-CE1 4.17Å; M112-F160 HydrophobicContact CE-CB 4Å; M112-F160 HydrophobicContact CE-CD1 3.5Å; M112-F160 VanDerWaalsContact CE-CD1 3.5Å; M112-F160 HydrophobicContact CE-CE1 4.35Å; M112-F160 HydrophobicContact CE-CG 4.05Å; M112-F160 HydrophobicContact SD-CD1 4.08Å; M112-T164 HydrophobicContact CB-CG2 4.05Å
113I98.8Very high98.5Very high76 Ų7648 Ų4839%0.3925%0.254SS..Hα-helixtrans-64.3-49.9174.7-73168.3000110.6W109 R110 N111 V115 V117 L118 F160W109-I113 PolarHBondContact O-N 2.84Å; R110-I113 CarbonylContact O-C 3.6Å; R110-I113 WeakPolarHBondContact O-CA 3.49Å; R110-I113 WeakPolarHBondContact O-CB 3.13Å; R110-I113 PolarHBondContact O-N 2.58Å; N111-I113 PolarHBondContact O-N 3.08Å; I113-V115 VanDerWaalsContact C-N 3.3Å; I113-V115 PolarHBondContact O-N 2.84Å; I113-V117 WeakPolarHBondContact O-CA 3.49Å; I113-V117 WeakPolarHBondContact O-CB 3.43Å; I113-V117 PolarHBondContact O-N 3.49Å; I113-L118 PolarHBondContact O-N 3.44Å; I113-F160 HydrophobicContact CD1-CE1 4.22Å; I113-F160 HydrophobicContact CD1-CZ 3.75Å; I113-F160 HydrophobicContact CG1-CE1 3.97Å; I113-F160 HydrophobicContact CG1-CZ 4.02Å
114D98.8Very high98.6Very high57 Ų5744.1 Ų44.131%0.30523%0.226SC..Iπ-helixtrans-57.5-44.8-174.7-66.5-22.9000110.7R110 N111 A119R110-D114 WeakPolarHBondContact O-CB 3.47Å; R110-D114 PolarHBondContact O-N 3.13Å; N111-D114 PolarHBondContact O-N 3.14Å; D114-A119 WeakPolarHBondContact O-CB 3.49Å; D114-A119 PolarHBondContact O-N 3.14Å
115V98.8Very high98.7Very high16 Ų1648.5 Ų48.510%0.09724%0.238CC..Iπ-helixtrans-85.9-51.9-178.8-179.20000112.4A93 L95 N111 I113 V117A93-V115 HydrophobicContact CB-CG1 4.39Å; L95-V115 HydrophobicContact CD2-CB 4.36Å; L95-V115 HydrophobicContact CD2-CG1 4.46Å; L95-V115 HydrophobicContact CD2-CG2 4.12Å; N111-V115 PolarHBondContact O-N 3.37Å; I113-V115 VanDerWaalsContact C-N 3.3Å; I113-V115 PolarHBondContact O-N 2.84Å; V115-V117 VanDerWaalsContact C-N 3.33Å; V115-V117 PolarHBondContact O-N 2.78Å
116N98.9Very high98.7Very high1 Ų143.4 Ų43.41%0.00522%0.217CC..Iπ-helixtrans-76.1-24-168.7-56.2-13.2000112.9G94 L95 M112 T164 V168G94-N116 WeakPolarHBondContact CA-OD1 3.4Å; L95-N116 PolarHBondContact N-OD1 3.45Å; L95-N116 PolarHBondContact O-ND2 3.22Å; L95-N116 PolarHBondContact O-OD1 2.87Å; M112-N116 WeakPolarHBondContact O-CA 3.22Å; M112-N116 WeakPolarHBondContact O-CB 3.46Å; M112-N116 PolarHBondContact O-N 3.38Å; N116-T164 HydrophobicContact CB-CG2 4.5Å; N116-T164 PolarHBondContact ND2-OG1 3.26Å; N116-V168 WeakPolarHBondContact O-CG2 3.45Å
117V98.9Very high98.7Very high26 Ų2640.2 Ų40.216%0.15820%0.197CC..Iπ-helixtrans-119.3-57.7-173-172.70000110.9I113 V115 S121 T164 A167 L171I113-V117 WeakPolarHBondContact O-CA 3.49Å; I113-V117 WeakPolarHBondContact O-CB 3.43Å; I113-V117 PolarHBondContact O-N 3.49Å; V115-V117 VanDerWaalsContact C-N 3.33Å; V115-V117 PolarHBondContact O-N 2.78Å; V117-S121 WeakPolarHBondContact O-CB 3.41Å; V117-S121 PolarHBondContact O-N 3.37Å; V117-S121 PolarHBondContact O-OG 3.23Å; V117-T164 HydrophobicContact CG2-CG2 4.26Å; V117-A167 HydrophobicContact CG1-CB 4.26Å; V117-A167 HydrophobicContact CG2-CB 4.16Å; V117-L171 HydrophobicContact CG1-CD1 3.78Å
118L98.9Very high98.8Very high87 Ų8737.3 Ų37.346%0.45518%0.178SC..Iπ-helixtrans-71.3-51.8-171.5-176.559.7000111.7I113 L120 S121 I122I113-L118 PolarHBondContact O-N 3.44Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 3.5Å; L118-S121 WeakPolarHBondContact O-CA 3.43Å; L118-S121 WeakPolarHBondContact O-CB 3.4Å; L118-S121 PolarHBondContact O-N 3.14Å; L118-I122 HydrophobicContact CD1-CD1 4.2Å; L118-I122 HydrophobicContact CD1-CG1 4.4Å; L118-I122 HydrophobicContact CG-CD1 3.93Å; L118-I122 WeakPolarHBondContact O-CG1 3.43Å; L118-I122 PolarHBondContact O-N 2.94Å
119A98.9Very high98.8Very high3 Ų341 Ų413%0.02519%0.194CC..Iπ-helixtrans-59.9-41.3177.500000112.3L66 I72 D114 S121 I122 C123L66-A119 HydrophobicContact CB-CB 3.91Å; L66-A119 WeakPolarHBondContact O-CB 3.46Å; I72-A119 HydrophobicContact CD1-CB 4.03Å; D114-A119 WeakPolarHBondContact O-CB 3.49Å; D114-A119 PolarHBondContact O-N 3.14Å; A119-S121 VanDerWaalsContact C-N 3.28Å; A119-S121 PolarHBondContact O-N 3.42Å; A119-I122 PolarHBondContact O-N 3.23Å; A119-C123 WeakPolarHBondContact O-CB 3.41Å; A119-C123 PolarHBondContact O-N 3.15Å; A119-C123 PolarHBondContact O-SG 2.72Å; A119-C123 VanDerWaalsContact O-SG 3.39Å
120L98.9Very high98.9Very high12 Ų1239 Ų396%0.06319%0.188CC..Hα-helixtrans-56.3-43.8172.5176151.7000111.5N91 L118 T124 N143 V168N91-L120 HydrophobicContact CB-CB 4.31Å; N91-L120 HydrophobicContact CB-CD1 3.8Å; N91-L120 HydrophobicContact CB-CG 3.7Å; N91-L120 PolarHBondContact ND2-O 3.27Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 3.5Å; L120-T124 VanDerWaalsContact O-CB 3.28Å; L120-T124 WeakPolarHBondContact O-CB 3.45Å; L120-T124 PolarHBondContact O-N 2.83Å; L120-T124 PolarHBondContact O-OG1 3.18Å; L120-N143 HydrophobicContact CD1-CB 4.12Å; L120-V168 HydrophobicContact CD1-CG1 4.01Å; L120-V168 HydrophobicContact CD1-CG2 3.88Å
121S98.9Very high98.9Very high38 Ų3832.3 Ų32.327%0.26616%0.163SC..Hα-helixtrans-69.6-40.7179.8-57.30000111.9V117 L118 A119 T124 R125V117-S121 WeakPolarHBondContact O-CB 3.41Å; V117-S121 PolarHBondContact O-N 3.37Å; V117-S121 PolarHBondContact O-OG 3.23Å; L118-S121 WeakPolarHBondContact O-CA 3.43Å; L118-S121 WeakPolarHBondContact O-CB 3.4Å; L118-S121 PolarHBondContact O-N 3.14Å; A119-S121 VanDerWaalsContact C-N 3.28Å; A119-S121 PolarHBondContact O-N 3.42Å; S121-T124 WeakPolarHBondContact O-CB 3.4Å; S121-T124 PolarHBondContact O-N 3.27Å; S121-R125 WeakPolarHBondContact O-CB 3.42Å; S121-R125 PolarHBondContact O-N 3.3Å
122I98.9Very high98.9Very high8 Ų835.5 Ų35.54%0.04117%0.174CC..Hα-helixtrans-63.2-50.9175.2-64.4164.6000110E69 I72 L118 A119 T124 R125 E126E69-I122 HydrophobicContact CB-CD1 4.06Å; E69-I122 HydrophobicContact CG-CD1 3.94Å; E69-I122 HydrophobicContact CG-CG2 4.4Å; I72-I122 HydrophobicContact CB-CG2 4.21Å; I72-I122 HydrophobicContact CD1-CB 4.29Å; I72-I122 HydrophobicContact CD1-CD1 4.29Å; I72-I122 HydrophobicContact CD1-CG2 4.13Å; I72-I122 HydrophobicContact CG2-CG2 3.67Å; L118-I122 HydrophobicContact CD1-CD1 4.2Å; L118-I122 HydrophobicContact CD1-CG1 4.4Å; L118-I122 HydrophobicContact CG-CD1 3.93Å; L118-I122 WeakPolarHBondContact O-CG1 3.43Å; L118-I122 PolarHBondContact O-N 2.94Å; A119-I122 PolarHBondContact O-N 3.23Å; I122-T124 VanDerWaalsContact C-N 3.27Å; I122-T124 PolarHBondContact O-N 2.97Å; I122-R125 WeakPolarHBondContact O-CB 3.49Å; I122-R125 PolarHBondContact O-N 2.99Å; I122-R125 VanDerWaalsContact O-N 3.14Å; I122-E126 HydrophobicContact CG2-CG 4.28Å; I122-E126 WeakPolarHBondContact O-CG 3.5Å; I122-E126 PolarHBondContact O-N 3.17Å
123C98.9Very high98.9Very high1 Ų140 Ų401%0.00720%0.195CC..Hα-helixtrans-59.6-37.9177.2-71.80000112.3F76 N91 A119 A127F76-C123 HydrophobicContact CE2-CB 4.27Å; F76-C123 HydrophobicContact CZ-CB 4.3Å; F76-C123 WeakPolarHBondContact CZ-O 3.3Å; N91-C123 WeakPolarHBondContact OD1-CB 3.22Å; A119-C123 WeakPolarHBondContact O-CB 3.41Å; A119-C123 PolarHBondContact O-N 3.15Å; A119-C123 PolarHBondContact O-SG 2.72Å; A119-C123 VanDerWaalsContact O-SG 3.39Å; C123-A127 WeakPolarHBondContact O-CB 3.27Å; C123-A127 PolarHBondContact O-N 3.46Å
124T98.9Very high98.9Very high17 Ų1739.5 Ų39.510%0.10419%0.188CC..Hα-helixtrans-60.6-50.4173-65.60000111.5N91 L120 S121 I122 A127 Y128 I141 L175N91-T124 PolarHBondContact ND2-OG1 2.93Å; L120-T124 VanDerWaalsContact O-CB 3.28Å; L120-T124 WeakPolarHBondContact O-CB 3.45Å; L120-T124 PolarHBondContact O-N 2.83Å; L120-T124 PolarHBondContact O-OG1 3.18Å; S121-T124 WeakPolarHBondContact O-CB 3.4Å; S121-T124 PolarHBondContact O-N 3.27Å; I122-T124 VanDerWaalsContact C-N 3.27Å; I122-T124 PolarHBondContact O-N 2.97Å; T124-A127 PolarHBondContact O-N 2.81Å; T124-Y128 PolarHBondContact O-N 3.3Å; T124-I141 HydrophobicContact CG2-CD1 3.99Å; T124-I141 HydrophobicContact CG2-CG2 4.32Å; T124-L175 HydrophobicContact CG2-CD1 3.66Å; T124-L175 HydrophobicContact CG2-CD2 3.62Å; T124-L175 HydrophobicContact CG2-CG 4.21Å
125R98.9Very high98.8Very high105 Ų10543.9 Ų43.940%0.39621%0.212SC..Hα-helixtrans-57.5-52.9178.4-178.8-172.373.5-153.30.9111.1E69 S121 I122 A127 Y128 Q129E69-R125 IonicContact OE1-CZ 3.37Å; E69-R125 IonicContact OE1-NH1 2.86Å; E69-R125 PolarHBondContact OE1-NH1 3.3Å; E69-R125 IonicContact OE1-NH2 3.59Å; E69-R125 PolarHBondContact OE1-NH2 2.8Å; S121-R125 WeakPolarHBondContact O-CB 3.42Å; S121-R125 PolarHBondContact O-N 3.3Å; I122-R125 WeakPolarHBondContact O-CB 3.49Å; I122-R125 PolarHBondContact O-N 2.99Å; I122-R125 VanDerWaalsContact O-N 3.14Å; R125-A127 PolarHBondContact O-N 3.27Å; R125-Y128 PolarHBondContact O-N 3.02Å; R125-Q129 WeakPolarHBondContact O-CG 3.33Å; R125-Q129 PolarHBondContact O-N 3.24Å
126E98.9Very high98.8Very high41 Ų4144.2 Ų44.219%0.19221%0.214CC..Hα-helixtrans-67.8-35.5-177-62.5-48.613100112.4L73 F76 I122 Q129 S130L73-E126 HydrophobicContact CD2-CG 4.02Å; F76-E126 HydrophobicContact CB-CB 4.3Å; F76-E126 HydrophobicContact CD1-CB 3.52Å; F76-E126 HydrophobicContact CD2-CB 3.59Å; F76-E126 HydrophobicContact CD2-CG 4.02Å; F76-E126 HydrophobicContact CE1-CB 3.57Å; F76-E126 HydrophobicContact CE2-CB 3.66Å; F76-E126 HydrophobicContact CE2-CG 4.3Å; F76-E126 HydrophobicContact CG-CB 3.52Å; F76-E126 HydrophobicContact CG-CG 4.2Å; F76-E126 HydrophobicContact CZ-CB 3.64Å; I122-E126 HydrophobicContact CG2-CG 4.28Å; I122-E126 WeakPolarHBondContact O-CG 3.5Å; I122-E126 PolarHBondContact O-N 3.17Å; E126-Q129 PolarHBondContact O-N 3.19Å; E126-S130 WeakPolarHBondContact O-CB 3.42Å; E126-S130 PolarHBondContact O-N 3.06Å
127A98.9Very high98.8Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-63.5-45.2173.100000111.5F76 V86 C89 C123 T124 R125 S130 M131 I141F76-A127 HydrophobicContact CE1-CB 4.15Å; F76-A127 HydrophobicContact CZ-CB 4.38Å; V86-A127 HydrophobicContact CG1-CB 4.22Å; C89-A127 HydrophobicContact CB-CB 3.61Å; C123-A127 WeakPolarHBondContact O-CB 3.27Å; C123-A127 PolarHBondContact O-N 3.46Å; T124-A127 PolarHBondContact O-N 2.81Å; R125-A127 PolarHBondContact O-N 3.27Å; A127-S130 PolarHBondContact O-N 3.23Å; A127-M131 HydrophobicContact CB-CE 4.33Å; A127-M131 WeakPolarHBondContact O-CG 3.4Å; A127-M131 PolarHBondContact O-N 3.23Å; A127-I141 HydrophobicContact CB-CD1 4.43Å
128Y98.9Very high98.8Very high48 Ų4848.6 Ų48.619%0.18824%0.236CC..Hα-helixtrans-61.6-46174.9168.7-107.8000112.1T124 R125 S130 M131 K132 L179 I186T124-Y128 PolarHBondContact O-N 3.3Å; R125-Y128 PolarHBondContact O-N 3.02Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3Å; Y128-M131 PolarHBondContact O-N 2.85Å; Y128-M131 VanDerWaalsContact O-N 3.15Å; Y128-K132 HydrophobicContact CE1-CD 4.15Å; Y128-K132 WeakPolarHBondContact O-CB 3.04Å; Y128-K132 PolarHBondContact O-N 3.33Å; Y128-L179 HydrophobicContact CD2-CD2 3.7Å; Y128-L179 HydrophobicContact CE2-CD2 3.94Å; Y128-I186 HydrophobicContact CD2-CD1 4.08Å; Y128-I186 HydrophobicContact CE2-CD1 4.31Å
129Q98.9Very high98.8Very high84 Ų8444.5 Ų44.539%0.39322%0.215SC..Hα-helixtrans-60.7-40.8176.9-66.6-59.9-20.800111.6R125 E126 M131 K132 E133R125-Q129 WeakPolarHBondContact O-CG 3.33Å; R125-Q129 PolarHBondContact O-N 3.24Å; E126-Q129 PolarHBondContact O-N 3.19Å; Q129-M131 VanDerWaalsContact C-N 3.34Å; Q129-M131 PolarHBondContact O-N 3.42Å; Q129-K132 PolarHBondContact O-N 3.44Å; Q129-E133 WeakPolarHBondContact O-CG 3.43Å; Q129-E133 PolarHBondContact O-N 3.44Å
130S98.9Very high98.8Very high9 Ų944.3 Ų44.36%0.06321%0.213CC..Hα-helixtrans-62-38.3174.9-175.90000112.7G85 V86 E126 A127 Y128 E133 R134G85-S130 VanDerWaalsContact CA-OG 3.24Å; G85-S130 WeakPolarHBondContact CA-OG 3.43Å; V86-S130 PolarHBondContact N-OG 2.88Å; E126-S130 WeakPolarHBondContact O-CB 3.42Å; E126-S130 PolarHBondContact O-N 3.06Å; A127-S130 PolarHBondContact O-N 3.23Å; Y128-S130 VanDerWaalsContact C-N 3.3Å; Y128-S130 PolarHBondContact O-N 3Å; S130-E133 WeakPolarHBondContact O-CG 3.41Å; S130-R134 PolarHBondContact O-NE 2.96Å; S130-R134 PolarHBondContact O-NH2 3.25Å
131M98.9Very high98.8Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-68.8-46.9174.6-67.7174.3-156.700111V86 D87 A127 Y128 Q129 E133 R134 N135 V136 I141 I186V86-M131 VanDerWaalsContact O-CG 3.27Å; V86-M131 WeakPolarHBondContact O-CG 3.1Å; D87-M131 WeakPolarHBondContact O-CE 3.44Å; A127-M131 HydrophobicContact CB-CE 4.33Å; A127-M131 WeakPolarHBondContact O-CG 3.4Å; A127-M131 PolarHBondContact O-N 3.23Å; Y128-M131 PolarHBondContact O-N 2.85Å; Y128-M131 VanDerWaalsContact O-N 3.15Å; Q129-M131 VanDerWaalsContact C-N 3.34Å; Q129-M131 PolarHBondContact O-N 3.42Å; M131-E133 PolarHBondContact O-N 2.92Å; M131-R134 CarbonylContact O-C 3.54Å; M131-R134 PolarHBondContact O-N 3.48Å; M131-N135 PolarHBondContact O-N 2.97Å; M131-N135 VanDerWaalsContact O-N 3.16Å; M131-V136 HydrophobicContact CB-CB 3.98Å; M131-V136 HydrophobicContact CB-CG1 4.25Å; M131-V136 HydrophobicContact CG-CB 4.33Å; M131-V136 HydrophobicContact CG-CG1 4.16Å; M131-V136 PolarHBondContact O-N 2.92Å; M131-I141 HydrophobicContact CE-CG1 4.3Å; M131-I186 HydrophobicContact CB-CD1 3.94Å; M131-I186 HydrophobicContact SD-CD1 3.9Å; M131-I186 HydrophobicContact SD-CG1 4.18Å; M131-I186 HydrophobicContact SD-CG2 3.88Å
132K98.8Very high98.8Very high116 Ų11642 Ų4250%0.50420%0.198SC..Hα-helixtrans-59.1-48.8-178.3-176.7-178.3179-177.50112.2Y128 Q129 R134 N135Y128-K132 HydrophobicContact CE1-CD 4.15Å; Y128-K132 WeakPolarHBondContact O-CB 3.04Å; Y128-K132 PolarHBondContact O-N 3.33Å; Q129-K132 PolarHBondContact O-N 3.44Å; K132-R134 PolarHBondContact O-N 3.41Å; K132-N135 PolarHBondContact O-N 3.3Å; K132-N135 VanDerWaalsContact O-N 3.1Å
133E98.5Very high98.8Very high94 Ų9441.7 Ų41.744%0.43920%0.196SC..Hα-helixtrans-64.3-22.3-178.572.2-179.4-176.100113.3K80 Q129 S130 M131K80-E133 WeakPolarHBondContact CD-OE1 3.4Å; K80-E133 VanDerWaalsContact CE-OE1 3.28Å; K80-E133 WeakPolarHBondContact CE-OE1 3.15Å; K80-E133 VanDerWaalsContact NZ-CD 3.32Å; K80-E133 IonicContact NZ-OE1 3.39Å; K80-E133 PolarHBondContact NZ-OE1 3.34Å; K80-E133 IonicContact NZ-OE2 3.39Å; K80-E133 PolarHBondContact NZ-OE2 3.09Å; Q129-E133 WeakPolarHBondContact O-CG 3.43Å; Q129-E133 PolarHBondContact O-N 3.44Å; S130-E133 WeakPolarHBondContact O-CG 3.41Å; M131-E133 PolarHBondContact O-N 2.92Å
134R98.6Very high98.8Very high66 Ų6642 Ų4225%0.24920%0.198CC..THydrogen-bonded Turntrans-99.32.3178-67.8-179.2-65.5117.46.1113.7Q84 V86 D87 S130 M131 K132 V136Q84-R134 WeakPolarHBondContact O-CD 3.14Å; V86-R134 PolarHBondContact O-NH2 2.87Å; D87-R134 IonicContact OD1-CZ 2.7Å; D87-R134 IonicContact OD1-NH1 2.95Å; D87-R134 PolarHBondContact OD1-NH1 3.4Å; D87-R134 IonicContact OD1-NH2 3.66Å; D87-R134 PolarHBondContact OD1-NH2 3.1Å; S130-R134 PolarHBondContact O-NE 2.96Å; S130-R134 PolarHBondContact O-NH2 3.25Å; M131-R134 CarbonylContact O-C 3.54Å; M131-R134 PolarHBondContact O-N 3.48Å; K132-R134 PolarHBondContact O-N 3.41Å; R134-V136 HydrophobicContact CB-CG2 4.11Å; R134-V136 PolarHBondContact O-N 2.81Å
135N98.5Very high98.8Very high149 Ų14941.3 Ų41.380%0.79719%0.194SC*.THydrogen-bonded Turntrans57.434.7-173.9-46.6-76000113M131 K132M131-N135 PolarHBondContact O-N 2.97Å; M131-N135 VanDerWaalsContact O-N 3.16Å; K132-N135 PolarHBondContact O-N 3.3Å; K132-N135 VanDerWaalsContact O-N 3.1Å
136V98.7Very high98.8Very high23 Ų2337 Ų3714%0.13918%0.18CC..  trans-79120.6171.9170.30000108.9M131 R134M131-V136 HydrophobicContact CB-CB 3.98Å; M131-V136 HydrophobicContact CB-CG1 4.25Å; M131-V136 HydrophobicContact CG-CB 4.33Å; M131-V136 HydrophobicContact CG-CG1 4.16Å; M131-V136 PolarHBondContact O-N 2.92Å; R134-V136 HydrophobicContact CB-CG2 4.11Å; R134-V136 PolarHBondContact O-N 2.81Å
137D98.6Very high98.7Very high66 Ų6635.1 Ų35.135%0.35317%0.171SC..  trans-110.5-2.3-176.3-167.534.9000113.5T184 H185 I186D137-T184 WeakPolarHBondContact OD1-CA 3.41Å; D137-T184 WeakPolarHBondContact OD1-CB 3.42Å; D137-H185 CarbonylContact O-C 3.3Å; D137-H185 WeakPolarHBondContact O-CA 3.45Å; D137-H185 WeakPolarHBondContact O-CB 3.31Å; D137-H185 PolarHBondContact O-N 3Å; D137-H185 PolarHBondContact OD1-N 2.97Å; D137-H185 IonicContact OD1-ND1 3.72Å; D137-H185 IonicContact OD2-CE1 3.61Å; D137-H185 IonicContact OD2-CG 3.74Å; D137-H185 IonicContact OD2-ND1 2.72Å; D137-H185 PolarHBondContact OD2-ND1 3.25Å; D137-I186 PolarHBondContact O-N 3.43Å; D137-I186 VanDerWaalsContact O-N 3.09Å
138D98.6Very high98.6Very high54 Ų5435.2 Ų35.229%0.28917%0.172SC..SBendtrans-126.121.4-17378.7-33.8000113.7R3 W4 R7R3-D138 PolarHBondContact NH1-O 3.42Å; R3-D138 IonicContact NH1-OD2 3.07Å; R3-D138 PolarHBondContact NH1-OD2 2.72Å; R3-D138 VanDerWaalsContact NH1-OD2 3.07Å; W4-D138 WeakPolarHBondContact CH2-O 3.33Å; R7-D138 IonicContact CZ-OD1 3.32Å; R7-D138 IonicContact NH1-OD1 3.11Å; R7-D138 PolarHBondContact NH1-OD1 2.59Å; R7-D138 IonicContact NH1-OD2 2.84Å; R7-D138 PolarHBondContact NH1-OD2 2.9Å; R7-D138 IonicContact NH2-OD1 3.04Å; R7-D138 PolarHBondContact NH2-OD1 2.81Å; R7-D138 VanDerWaalsContact NH2-OD1 3.11Å
139G98.8Very high98.6Very high0 Ų033 Ų330%016%0.163CC..  trans-68173.917900000113.8D87 I186 R187D87-G139 WeakPolarHBondContact O-CA 3.41Å; G139-I186 WeakPolarHBondContact O-CA 3.18Å; G139-R187 PolarHBondContact O-N 3.08Å
140H98.9Very high98.6Very high0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-144.5126.6-179.8-151.9161.9000112.9W4 D87 V88 C89 R187 T189 V234 L235W4-H140 HydrophobicContact CH2-CB 4.05Å; W4-H140 HydrophobicContact CZ2-CB 4.23Å; D87-H140 PolarHBondContact O-N 3.2Å; V88-H140 CarbonylContact C-O 3.38Å; V88-H140 WeakPolarHBondContact CA-O 3.41Å; V88-H140 HydrophobicContact CG2-CB 4.34Å; C89-H140 PolarHBondContact N-O 2.71Å; H140-R187 VanDerWaalsContact CD2-CB 3.49Å; H140-R187 WeakPolarHBondContact CD2-CB 3.31Å; H140-R187 PolarHBondContact CD2-O 2.92Å; H140-R187 PolarHBondContact CE1-NH2 3.48Å; H140-R187 VanDerWaalsContact CE1-NH2 3.34Å; H140-R187 PolarHBondContact ND1-NH2 2.79Å; H140-R187 WeakPolarHBondContact NE2-CB 3.25Å; H140-T189 PolarHBondContact CE1-OG1 3.13Å; H140-T189 PolarHBondContact NE2-OG1 3.4Å; H140-V234 WeakPolarHBondContact CE1-CG1 3.2Å; H140-L235 HydrophobicContact CB-CD2 3.9Å
141I99Very high98.4Very high0 Ų033.2 Ų33.20%016%0.161CC..EExtended strand (participates in β ladder)trans-106.7123.9169.8-56.3177.5000108.4C89 T124 A127 M131 L175 R187 A188 T189C89-I141 HydrophobicContact CB-CG1 4.25Å; C89-I141 HydrophobicContact CB-CG2 4.38Å; C89-I141 CarbonylContact O-C 3.53Å; C89-I141 WeakPolarHBondContact O-CA 3.24Å; T124-I141 HydrophobicContact CG2-CD1 3.99Å; T124-I141 HydrophobicContact CG2-CG2 4.32Å; A127-I141 HydrophobicContact CB-CD1 4.43Å; M131-I141 HydrophobicContact CE-CG1 4.3Å; I141-L175 HydrophobicContact CB-CD2 4Å; I141-L175 HydrophobicContact CD1-CD1 4.48Å; I141-L175 HydrophobicContact CD1-CD2 4.14Å; I141-L175 HydrophobicContact CG2-CD2 3.84Å; I141-R187 PolarHBondContact N-O 3.03Å; I141-A188 WeakPolarHBondContact O-CA 3.36Å; I141-T189 PolarHBondContact O-N 3.41Å
142I99Very high98.1Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-123.4120.2-178.3-54.9-179.6000109.1C89 I90 N91 T189 I191 V231 V234 L235C89-I142 PolarHBondContact O-N 3.19Å; I90-I142 CarbonylContact C-O 3.56Å; I90-I142 WeakPolarHBondContact CA-O 3.32Å; I90-I142 HydrophobicContact CD1-CB 3.78Å; I90-I142 HydrophobicContact CD1-CD1 3.81Å; I90-I142 HydrophobicContact CD1-CG1 4.05Å; N91-I142 PolarHBondContact N-O 3.31Å; I142-T189 CarbonylContact C-O 3.52Å; I142-T189 VanDerWaalsContact CA-O 3.31Å; I142-T189 WeakPolarHBondContact CA-O 3.2Å; I142-I191 HydrophobicContact CG2-CD1 4.49Å; I142-I191 HydrophobicContact CG2-CG1 3.84Å; I142-V231 HydrophobicContact CD1-CG1 4.2Å; I142-V234 HydrophobicContact CD1-CG1 3.81Å; I142-V234 HydrophobicContact CG1-CG1 4.47Å; I142-L235 HydrophobicContact CD1-CD1 4.43Å; I142-L235 HydrophobicContact CD1-CD2 4.01Å; I142-L235 HydrophobicContact CD1-CG 3.9Å
143N98.9Very high97.6Very high2 Ų233.2 Ų33.21%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-99.5124.2178.1-65.8-27.3000110.4N91 L120 N145 V168 T172 T189 C190 I191N91-N143 WeakPolarHBondContact CB-OD1 3.38Å; N91-N143 PolarHBondContact ND2-OD1 2.77Å; L120-N143 HydrophobicContact CD1-CB 4.12Å; N143-N145 PolarHBondContact O-N 2.89Å; N143-N145 VanDerWaalsContact O-N 3.14Å; N143-V168 HydrophobicContact CB-CG1 3.92Å; N143-T172 PolarHBondContact ND2-OG1 3.24Å; N143-T189 PolarHBondContact N-O 2.95Å; N143-C190 HydrophobicContact CB-CB 4.4Å; N143-C190 CarbonylContact O-C 3.55Å; N143-C190 WeakPolarHBondContact O-CA 3.36Å; N143-I191 PolarHBondContact O-N 2.92Å
144I98.9Very high97.2Very high7 Ų734.6 Ų34.64%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-80.499.3171-52.1-55.2000108.2I18 I90 N91 N92 K165 I191 I227 V231I18-I144 HydrophobicContact CD1-CG2 4.48Å; I90-I144 HydrophobicContact CG2-CD1 4.32Å; I90-I144 HydrophobicContact CG2-CG1 4.28Å; N91-I144 PolarHBondContact O-N 3.14Å; N92-I144 HydrophobicContact CB-CB 4.41Å; N92-I144 HydrophobicContact CB-CG1 3.65Å; I144-K165 PolarHBondContact O-NZ 2.83Å; I144-I191 HydrophobicContact CD1-CB 4.06Å; I144-I191 HydrophobicContact CD1-CG1 4.14Å; I144-I227 HydrophobicContact CD1-CG2 4.42Å; I144-V231 HydrophobicContact CD1-CG2 4.24Å
145N98.8Very high96.8Very high3 Ų333 Ų332%0.01618%0.181CC..  trans-85.5-146.9176.3-162.4-4.4000109.8N143 K165 V168 T169 C190 I191N143-N145 PolarHBondContact O-N 2.89Å; N143-N145 VanDerWaalsContact O-N 3.14Å; N145-K165 WeakPolarHBondContact OD1-CB 3.33Å; N145-K165 PolarHBondContact OD1-O 3.46Å; N145-K165 VanDerWaalsContact OD1-O 3.11Å; N145-V168 HydrophobicContact CB-CG1 4.05Å; N145-T169 PolarHBondContact ND2-OG1 3.19Å; N145-C190 HydrophobicContact CB-CB 4.06Å; N145-I191 CarbonylContact C-O 3.55Å; N145-I191 WeakPolarHBondContact CA-O 3.28Å; N145-I191 PolarHBondContact N-O 3.41Å
146S98.5Very high96.6Very high15 Ų1528 Ų2811%0.10516%0.161CC..  trans-162.2159.7177.2179.40000108.9G148 G149 H150 Y161 P193S146-G148 PolarHBondContact O-N 2.86Å; S146-G148 PolarHBondContact OG-N 2.99Å; S146-G148 VanDerWaalsContact OG-N 3.08Å; S146-G149 PolarHBondContact O-N 2.88Å; S146-H150 PolarHBondContact O-CD2 3.44Å; S146-Y161 WeakPolarHBondContact CB-OH 3.5Å; S146-P193 CarbonylContact C-O 3.58Å; S146-P193 WeakPolarHBondContact CA-O 3.49Å
147M97.8Very high96.3Very high2 Ų228.1 Ų28.11%0.0116%0.161CC..G310 helixtrans-56.3-26.9162.5-72.6-51.2-35.800112.7G149 H150 R151 P193 Q247 R249M147-G149 PolarHBondContact O-N 3.47Å; M147-H150 HydrophobicContact CE-CB 4.04Å; M147-H150 PolarHBondContact O-N 3.01Å; M147-R151 PolarHBondContact O-N 2.74Å; M147-P193 PolarHBondContact N-O 3.32Å; M147-Q247 HydrophobicContact SD-CB 3.91Å; M147-Q247 HydrophobicContact SD-CG 4.22Å; M147-R249 HydrophobicContact CG-CG 3.81Å; M147-R249 HydrophobicContact SD-CG 4.2Å; M147-R249 PolarHBondContact SD-NH1 2.86Å; M147-R249 VanDerWaalsContact SD-NH1 3.37Å
148G97.1Very high96.1Very high2 Ų227.6 Ų27.62%0.02116%0.156CC..G310 helixtrans-64.8-12.2171.200000114.7S146 H150 R151 C162 Y166S146-G148 PolarHBondContact O-N 2.86Å; S146-G148 PolarHBondContact OG-N 2.99Å; S146-G148 VanDerWaalsContact OG-N 3.08Å; G148-H150 VanDerWaalsContact C-N 3.32Å; G148-R151 CarbonylContact C-O 3.45Å; G148-R151 WeakPolarHBondContact CA-O 3.44Å; G148-C162 WeakPolarHBondContact O-CA 3.26Å; G148-C162 WeakPolarHBondContact O-CB 3.35Å; G148-Y166 VanDerWaalsContact O-CD2 3.26Å; G148-Y166 WeakPolarHBondContact O-CD2 3.24Å; G148-Y166 VanDerWaalsContact O-CE2 3.31Å; G148-Y166 WeakPolarHBondContact O-CE2 3.39Å
149G98.2Very high96Very high0 Ų027.5 Ų27.50%015%0.154CC..G310 helixtrans-86.5-1.9171.200000114.4S146 M147 K165 T169S146-G149 PolarHBondContact O-N 2.88Å; M147-G149 PolarHBondContact O-N 3.47Å; G149-K165 VanDerWaalsContact CA-C 3.41Å; G149-T169 PolarHBondContact O-OG1 3.21Å
150H97.9Very high96Very high50 Ų5029.2 Ų29.223%0.23116%0.162CC..THydrogen-bonded Turntrans-125.4-14.7-177.3-58.9-64.1000113.3S146 M147 G148 Y166 S192 D245S146-H150 PolarHBondContact O-CD2 3.44Å; M147-H150 HydrophobicContact CE-CB 4.04Å; M147-H150 PolarHBondContact O-N 3.01Å; G148-H150 VanDerWaalsContact C-N 3.32Å; H150-Y166 PolarHBondContact O-OH 2.91Å; H150-S192 VanDerWaalsContact NE2-CB 3.3Å; H150-S192 WeakPolarHBondContact NE2-CB 3.41Å; H150-S192 PolarHBondContact NE2-OG 2.93Å; H150-D245 IonicContact CE1-OD2 2.89Å; H150-D245 PolarHBondContact CE1-OD2 2.79Å; H150-D245 IonicContact NE2-OD2 3.62Å; H150-D245 PolarHBondContact NE2-OD2 3.35Å
151R94.6Very high96Very high48 Ų4830.1 Ų30.118%0.18117%0.165CC..SBendtrans-156.3155.7175.271.2-154.5176.886.19.1109.8M147 G148 Y166 Q253 S255M147-R151 PolarHBondContact O-N 2.74Å; G148-R151 CarbonylContact C-O 3.45Å; G148-R151 WeakPolarHBondContact CA-O 3.44Å; R151-Y166 WeakPolarHBondContact CA-OH 3.37Å; R151-Y166 PolarHBondContact N-OH 2.94Å; R151-Y166 VanDerWaalsContact N-OH 3.15Å; R151-Q253 VanDerWaalsContact NH2-NE2 3.19Å; R151-S255 PolarHBondContact NE-OXT 3.1Å; R151-S255 PolarHBondContact NH1-O 2.92Å; R151-S255 PolarHBondContact NH1-OG 3.44Å; R151-S255 PolarHBondContact NH1-OXT 3.08Å; R151-S255 PolarHBondContact NH2-O 3.19Å; R151-S255 PolarHBondContact NH2-OXT 2.85Å
152M93.6Very high96Very high90 Ų9030.1 Ų30.144%0.44317%0.165SC..  trans-81.8131.3170-64.2-59.7-65.200110H159 C162 Y166M152-H159 HydrophobicContact CE-CB 3.82Å; M152-C162 HydrophobicContact CE-CB 3.88Å; M152-C162 HydrophobicContact SD-CB 3.59Å; M152-C162 VanDerWaalsContact SD-CB 3.59Å; M152-Y166 HydrophobicContact SD-CE2 4.13Å
153V88.9Confident96Very high27 Ų2732.6 Ų32.616%0.16419%0.186CC..  trans-77.7133.6166.6-178.60000107.6S155 E158 H159V153-S155 PolarHBondContact O-N 3.44Å; V153-E158 HydrophobicContact CB-CB 4.39Å; V153-H159 PolarHBondContact O-CD2 3.39Å; V153-H159 PolarHBondContact O-NE2 3.28Å
154P89.2Confident96Very high122 Ų12232.8 Ų32.879%0.79219%0.187SC*.SBendtrans-75.256.3177.732.9-36.4000111.3
155S90.5Very high95.9Very high32 Ų3232.8 Ų32.822%0.22419%0.187CC..  trans-139.2114.5-179.9178.40000107.8V153 D157 E158 H159V153-S155 PolarHBondContact O-N 3.44Å; S155-D157 PolarHBondContact O-N 3.33Å; S155-E158 PolarHBondContact O-N 3.46Å; S155-H159 PolarHBondContact O-CD2 3.04Å; S155-H159 PolarHBondContact O-N 3.49Å; S155-H159 PolarHBondContact O-NE2 3.24Å
156A93.9Very high96Very high45 Ų4537.4 Ų37.437%0.37221%0.205SC..G310 helixtrans-58.4-34.3-173.900000112.6P100 E158 H159P100-A156 HydrophobicContact CB-CB 4.07Å; P100-A156 HydrophobicContact CG-CB 4.46Å; A156-E158 PolarHBondContact O-N 3.05Å; A156-H159 PolarHBondContact O-N 3.3Å
157D91.6Very high96Very high26 Ų2638.2 Ų38.214%0.13921%0.213CC..G310 helixtrans-63.6-21.6179-55.14.7000112.3N98 S155 H204 K211N98-D157 HydrophobicContact CB-CB 4.42Å; N98-D157 PolarHBondContact ND2-OD2 3.35Å; N98-D157 VanDerWaalsContact ND2-OD2 3.1Å; N98-D157 WeakPolarHBondContact OD1-CB 3.39Å; N98-D157 PolarHBondContact OD1-OD1 2.9Å; N98-D157 PolarHBondContact OD1-OD2 3.17Å; S155-D157 PolarHBondContact O-N 3.33Å; D157-H204 PolarHBondContact O-CE1 3.49Å; D157-H204 VanDerWaalsContact O-CE1 3.25Å; D157-K211 IonicContact OD2-NZ 3.44Å; D157-K211 PolarHBondContact OD2-NZ 3.16Å
158E94.7Very high96Very high54 Ų5438.1 Ų38.125%0.25221%0.212SC..G310 helixtrans-102-12.2-177.7-69.5-165.7-131.700114.1V153 S155 A156 F160 Y161 C162V153-E158 HydrophobicContact CB-CB 4.39Å; S155-E158 PolarHBondContact O-N 3.46Å; A156-E158 PolarHBondContact O-N 3.05Å; E158-F160 PolarHBondContact O-N 2.95Å; E158-Y161 WeakPolarHBondContact O-CB 3.36Å; E158-Y161 PolarHBondContact O-N 3.33Å; E158-Y161 VanDerWaalsContact O-N 3.16Å; E158-C162 PolarHBondContact O-N 2.83Å; E158-C162 PolarHBondContact O-SG 3.04Å
159H98Very high96.1Very high53 Ų5339.9 Ų39.925%0.24522%0.222CC..Hα-helixtrans-59.7-44.5-168.9-70.7171.1000113.2L101 M152 V153 S155 A156 C162 A163L101-H159 HydrophobicContact CD1-CB 3.97Å; L101-H159 HydrophobicContact CG-CB 3.99Å; M152-H159 HydrophobicContact CE-CB 3.82Å; V153-H159 PolarHBondContact O-CD2 3.39Å; V153-H159 PolarHBondContact O-NE2 3.28Å; S155-H159 PolarHBondContact O-CD2 3.04Å; S155-H159 PolarHBondContact O-N 3.49Å; S155-H159 PolarHBondContact O-NE2 3.24Å; A156-H159 PolarHBondContact O-N 3.3Å; H159-C162 WeakPolarHBondContact O-CB 3.33Å; H159-C162 PolarHBondContact O-N 3.34Å; H159-A163 PolarHBondContact O-N 3.48Å
160F98.4Very high96.1Very high35 Ų3543.1 Ų43.115%0.15425%0.249CC..Hα-helixtrans-69.6-38.5179.2-163-82.4000111.6L101 W109 M112 I113 E158 C162 A163 T164L101-F160 HydrophobicContact CD2-CB 4.15Å; L101-F160 HydrophobicContact CD2-CD2 3.89Å; W109-F160 HydrophobicContact CB-CD1 4.14Å; W109-F160 HydrophobicContact CB-CD2 4.17Å; W109-F160 HydrophobicContact CB-CE1 3.64Å; W109-F160 HydrophobicContact CB-CE2 3.7Å; W109-F160 HydrophobicContact CB-CG 4.37Å; W109-F160 HydrophobicContact CB-CZ 3.41Å; W109-F160 VanDerWaalsContact CB-CZ 3.41Å; W109-F160 AromaticContact CD1-CD1 3.76Å; W109-F160 AromaticContact CD1-CD2 3.5Å; W109-F160 AromaticContact CD1-CE2 3.95Å; W109-F160 AromaticContact CD1-CG 3.39Å; W109-F160 AromaticContact CD2-CD2 3.97Å; W109-F160 HydrophobicContact CD2-CD2 3.97Å; W109-F160 AromaticContact CD2-CE2 3.96Å; W109-F160 HydrophobicContact CD2-CE2 3.96Å; W109-F160 HydrophobicContact CE3-CE2 4.48Å; W109-F160 HydrophobicContact CG-CD1 4.11Å; W109-F160 AromaticContact CG-CD2 3.62Å; W109-F160 HydrophobicContact CG-CD2 3.62Å; W109-F160 HydrophobicContact CG-CE1 4.06Å; W109-F160 AromaticContact CG-CE2 3.58Å; W109-F160 HydrophobicContact CG-CE2 3.58Å; W109-F160 AromaticContact CG-CG 3.89Å; W109-F160 HydrophobicContact CG-CG 3.89Å; W109-F160 AromaticContact CG-CZ 3.81Å; W109-F160 HydrophobicContact CG-CZ 3.81Å; W109-F160 AromaticContact NE1-CD2 3.78Å; W109-F160 AromaticContact NE1-CG 3.87Å; W109-F160 VanDerWaalsContact O-CE1 3.3Å; W109-F160 WeakPolarHBondContact O-CE1 3.39Å; M112-F160 HydrophobicContact CB-CD1 4.16Å; M112-F160 HydrophobicContact CB-CE1 4.17Å; M112-F160 HydrophobicContact CE-CB 4Å; M112-F160 HydrophobicContact CE-CD1 3.5Å; M112-F160 VanDerWaalsContact CE-CD1 3.5Å; M112-F160 HydrophobicContact CE-CE1 4.35Å; M112-F160 HydrophobicContact CE-CG 4.05Å; M112-F160 HydrophobicContact SD-CD1 4.08Å; I113-F160 HydrophobicContact CD1-CE1 4.22Å; I113-F160 HydrophobicContact CD1-CZ 3.75Å; I113-F160 HydrophobicContact CG1-CE1 3.97Å; I113-F160 HydrophobicContact CG1-CZ 4.02Å; E158-F160 PolarHBondContact O-N 2.95Å; F160-C162 PolarHBondContact O-N 2.97Å; F160-A163 WeakPolarHBondContact O-CB 3.15Å; F160-A163 PolarHBondContact O-N 3.33Å; F160-T164 HydrophobicContact CD1-CG2 4.15Å; F160-T164 HydrophobicContact CE1-CG2 4.04Å; F160-T164 WeakPolarHBondContact O-CG2 3.31Å; F160-T164 PolarHBondContact O-N 3.11Å; F160-T164 VanDerWaalsContact O-N 3.08Å
161Y98.4Very high96.2Very high20 Ų2044 Ų448%0.07826%0.255CS..Hα-helixtrans-58.6-46.8172166.7-101.6000111.5L95 A96 S146 E158 A163 T164 K165 F200L95-Y161 WeakPolarHBondContact O-CD2 3.49Å; A96-Y161 HydrophobicContact CB-CD2 3.72Å; A96-Y161 HydrophobicContact CB-CE2 4.46Å; A96-Y161 HydrophobicContact CB-CG 3.81Å; S146-Y161 WeakPolarHBondContact CB-OH 3.5Å; E158-Y161 WeakPolarHBondContact O-CB 3.36Å; E158-Y161 PolarHBondContact O-N 3.33Å; E158-Y161 VanDerWaalsContact O-N 3.16Å; Y161-A163 VanDerWaalsContact C-N 3.3Å; Y161-A163 PolarHBondContact O-N 3.07Å; Y161-T164 PolarHBondContact O-N 3.48Å; Y161-T164 PolarHBondContact O-OG1 2.88Å; Y161-K165 HydrophobicContact CD2-CG 4.41Å; Y161-K165 HydrophobicContact CE1-CG 4.05Å; Y161-K165 HydrophobicContact CE2-CD 4.29Å; Y161-K165 HydrophobicContact CE2-CG 3.85Å; Y161-K165 PolarHBondContact O-N 3.04Å; Y161-K165 VanDerWaalsContact OH-CE 3.26Å; Y161-K165 WeakPolarHBondContact OH-CE 3.3Å; Y161-F200 HydrophobicContact CD2-CZ 4.23Å; Y161-F200 HydrophobicContact CE1-CZ 4.4Å; Y161-F200 HydrophobicContact CE2-CE2 4.18Å; Y161-F200 AromaticContact CE2-CZ 3.74Å; Y161-F200 HydrophobicContact CE2-CZ 3.74Å; Y161-F200 AromaticContact CZ-CZ 3.83Å
162C98.4Very high96.4Very high0 Ų042 Ų420%025%0.248CC..Hα-helixtrans-55.9-45.9175.2-67.10000110.6G148 M152 E158 H159 F160 T164 K165 Y166G148-C162 WeakPolarHBondContact O-CA 3.26Å; G148-C162 WeakPolarHBondContact O-CB 3.35Å; M152-C162 HydrophobicContact CE-CB 3.88Å; M152-C162 HydrophobicContact SD-CB 3.59Å; M152-C162 VanDerWaalsContact SD-CB 3.59Å; E158-C162 PolarHBondContact O-N 2.83Å; E158-C162 PolarHBondContact O-SG 3.04Å; H159-C162 WeakPolarHBondContact O-CB 3.33Å; H159-C162 PolarHBondContact O-N 3.34Å; F160-C162 PolarHBondContact O-N 2.97Å; C162-T164 VanDerWaalsContact C-N 3.3Å; C162-T164 PolarHBondContact O-N 3.08Å; C162-K165 CarbonylContact O-C 3.54Å; C162-K165 WeakPolarHBondContact O-CA 3.38Å; C162-K165 PolarHBondContact O-N 2.92Å; C162-Y166 WeakPolarHBondContact O-CD2 3.26Å; C162-Y166 PolarHBondContact O-N 2.8Å
163A98.7Very high96.7Very high52 Ų5241.6 Ų41.643%0.4325%0.245SC..Hα-helixtrans-56.4-41.7175.700000112.7H159 F160 Y161 K165 Y166 A167H159-A163 PolarHBondContact O-N 3.48Å; F160-A163 WeakPolarHBondContact O-CB 3.15Å; F160-A163 PolarHBondContact O-N 3.33Å; Y161-A163 VanDerWaalsContact C-N 3.3Å; Y161-A163 PolarHBondContact O-N 3.07Å; A163-K165 VanDerWaalsContact C-N 3.3Å; A163-K165 PolarHBondContact O-N 2.66Å; A163-Y166 PolarHBondContact O-N 3.43Å; A163-A167 PolarHBondContact O-N 3.29Å
164T98.9Very high97.1Very high5 Ų541.4 Ų41.43%0.03125%0.249CC..Hα-helixtrans-62.9-36.4174.272.50000112.5M112 N116 V117 F160 Y161 C162 A167 V168M112-T164 HydrophobicContact CB-CG2 4.05Å; N116-T164 HydrophobicContact CB-CG2 4.5Å; N116-T164 PolarHBondContact ND2-OG1 3.26Å; V117-T164 HydrophobicContact CG2-CG2 4.26Å; F160-T164 HydrophobicContact CD1-CG2 4.15Å; F160-T164 HydrophobicContact CE1-CG2 4.04Å; F160-T164 WeakPolarHBondContact O-CG2 3.31Å; F160-T164 PolarHBondContact O-N 3.11Å; F160-T164 VanDerWaalsContact O-N 3.08Å; Y161-T164 PolarHBondContact O-N 3.48Å; Y161-T164 PolarHBondContact O-OG1 2.88Å; C162-T164 VanDerWaalsContact C-N 3.3Å; C162-T164 PolarHBondContact O-N 3.08Å; T164-A167 WeakPolarHBondContact O-CB 3.32Å; T164-A167 PolarHBondContact O-N 2.88Å; T164-V168 WeakPolarHBondContact O-CG2 3.36Å; T164-V168 PolarHBondContact O-N 3.03Å; T164-V168 VanDerWaalsContact O-N 3.09Å
165K98.8Very high97.6Very high8 Ų836.4 Ų36.44%0.03522%0.215CC..Hα-helixtrans-75.6-30.8178.4-68.1-58.4-172.6-177.60112.9I144 N145 G149 Y161 C162 A163 A167 V168 T169I144-K165 PolarHBondContact O-NZ 2.83Å; N145-K165 WeakPolarHBondContact OD1-CB 3.33Å; N145-K165 PolarHBondContact OD1-O 3.46Å; N145-K165 VanDerWaalsContact OD1-O 3.11Å; G149-K165 VanDerWaalsContact CA-C 3.41Å; Y161-K165 HydrophobicContact CD2-CG 4.41Å; Y161-K165 HydrophobicContact CE1-CG 4.05Å; Y161-K165 HydrophobicContact CE2-CD 4.29Å; Y161-K165 HydrophobicContact CE2-CG 3.85Å; Y161-K165 PolarHBondContact O-N 3.04Å; Y161-K165 VanDerWaalsContact OH-CE 3.26Å; Y161-K165 WeakPolarHBondContact OH-CE 3.3Å; C162-K165 CarbonylContact O-C 3.54Å; C162-K165 WeakPolarHBondContact O-CA 3.38Å; C162-K165 PolarHBondContact O-N 2.92Å; A163-K165 VanDerWaalsContact C-N 3.3Å; A163-K165 PolarHBondContact O-N 2.66Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.27Å; K165-V168 HydrophobicContact CD-CG2 4.38Å; K165-V168 WeakPolarHBondContact O-CB 3.38Å; K165-V168 PolarHBondContact O-N 3.43Å; K165-T169 PolarHBondContact O-N 3.37Å; K165-T169 PolarHBondContact O-OG1 3.15Å
166Y98.9Very high98Very high99 Ų9937.2 Ų37.239%0.38821%0.214SC..Hα-helixtrans-61.8-39.8166.7-92.7-96.4000111.6G148 H150 R151 M152 C162 A163 V168 T169 A170G148-Y166 VanDerWaalsContact O-CD2 3.26Å; G148-Y166 WeakPolarHBondContact O-CD2 3.24Å; G148-Y166 VanDerWaalsContact O-CE2 3.31Å; G148-Y166 WeakPolarHBondContact O-CE2 3.39Å; H150-Y166 PolarHBondContact O-OH 2.91Å; R151-Y166 WeakPolarHBondContact CA-OH 3.37Å; R151-Y166 PolarHBondContact N-OH 2.94Å; R151-Y166 VanDerWaalsContact N-OH 3.15Å; M152-Y166 HydrophobicContact SD-CE2 4.13Å; C162-Y166 WeakPolarHBondContact O-CD2 3.26Å; C162-Y166 PolarHBondContact O-N 2.8Å; A163-Y166 PolarHBondContact O-N 3.43Å; Y166-V168 VanDerWaalsContact C-N 3.33Å; Y166-V168 PolarHBondContact O-N 3.36Å; Y166-T169 WeakPolarHBondContact O-CB 3.46Å; Y166-T169 PolarHBondContact O-N 2.9Å; Y166-A170 PolarHBondContact O-N 2.82Å; Y166-A170 VanDerWaalsContact O-N 3.08Å
167A98.9Very high98.2Very high33 Ų3339.1 Ų39.127%0.27322%0.215SC..Hα-helixtrans-61.1-42.5172.500000111.2V117 A163 T164 K165 T169 A170 L171V117-A167 HydrophobicContact CG1-CB 4.26Å; V117-A167 HydrophobicContact CG2-CB 4.16Å; A163-A167 PolarHBondContact O-N 3.29Å; T164-A167 WeakPolarHBondContact O-CB 3.32Å; T164-A167 PolarHBondContact O-N 2.88Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.27Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 3.4Å; A167-A170 PolarHBondContact O-N 3.18Å; A167-L171 VanDerWaalsContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 WeakPolarHBondContact O-CG 3.41Å; A167-L171 PolarHBondContact O-N 2.91Å
168V98.9Very high98.6Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-60.5-39.9174.5177.10000112.2N116 L120 N143 N145 T164 K165 Y166 L171 T172N116-V168 WeakPolarHBondContact O-CG2 3.45Å; L120-V168 HydrophobicContact CD1-CG1 4.01Å; L120-V168 HydrophobicContact CD1-CG2 3.88Å; N143-V168 HydrophobicContact CB-CG1 3.92Å; N145-V168 HydrophobicContact CB-CG1 4.05Å; T164-V168 WeakPolarHBondContact O-CG2 3.36Å; T164-V168 PolarHBondContact O-N 3.03Å; T164-V168 VanDerWaalsContact O-N 3.09Å; K165-V168 HydrophobicContact CD-CG2 4.38Å; K165-V168 WeakPolarHBondContact O-CB 3.38Å; K165-V168 PolarHBondContact O-N 3.43Å; Y166-V168 VanDerWaalsContact C-N 3.33Å; Y166-V168 PolarHBondContact O-N 3.36Å; V168-L171 PolarHBondContact O-N 2.83Å; V168-T172 WeakPolarHBondContact O-CB 3.4Å; V168-T172 PolarHBondContact O-N 2.83Å; V168-T172 PolarHBondContact O-OG1 2.95Å
169T98.9Very high98.8Very high39 Ų3941.6 Ų41.624%0.23923%0.226CC..Hα-helixtrans-56.6-52.4173.6-56.90000110.8N145 G149 K165 Y166 A167 T172 E173N145-T169 PolarHBondContact ND2-OG1 3.19Å; G149-T169 PolarHBondContact O-OG1 3.21Å; K165-T169 PolarHBondContact O-N 3.37Å; K165-T169 PolarHBondContact O-OG1 3.15Å; Y166-T169 WeakPolarHBondContact O-CB 3.46Å; Y166-T169 PolarHBondContact O-N 2.9Å; A167-T169 VanDerWaalsContact C-N 3.33Å; A167-T169 PolarHBondContact O-N 3.4Å; T169-T172 PolarHBondContact O-N 2.8Å; T169-E173 PolarHBondContact O-N 2.97Å
170A98.9Very high98.8Very high68 Ų6846.1 Ų46.156%0.56224%0.241SC*.Hα-helixtrans-64.9-44.2-179.500000112.6Y166 A167 T172 E173 G174Y166-A170 PolarHBondContact O-N 2.82Å; Y166-A170 VanDerWaalsContact O-N 3.08Å; A167-A170 PolarHBondContact O-N 3.18Å; A170-T172 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 3.23Å; A170-E173 PolarHBondContact O-N 2.83Å; A170-G174 PolarHBondContact O-N 3.08Å
171L98.9Very high98.8Very high67 Ų6752.1 Ų52.135%0.35127%0.269SS..Hα-helixtrans-62.7-37.3179.3-73.7168.8000112.2V117 A167 V168 G174 L175V117-L171 HydrophobicContact CG1-CD1 3.78Å; A167-L171 VanDerWaalsContact O-CB 3.32Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 WeakPolarHBondContact O-CG 3.41Å; A167-L171 PolarHBondContact O-N 2.91Å; V168-L171 PolarHBondContact O-N 2.83Å; L171-G174 PolarHBondContact O-N 3.11Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 PolarHBondContact O-N 3.34Å
172T98.9Very high98.8Very high6 Ų653.2 Ų53.24%0.03728%0.283CS..Hα-helixtrans-67.5-42.2179-53.70000111.4N143 V168 T169 A170 L175 R176 C190N143-T172 PolarHBondContact ND2-OG1 3.24Å; V168-T172 WeakPolarHBondContact O-CB 3.4Å; V168-T172 PolarHBondContact O-N 2.83Å; V168-T172 PolarHBondContact O-OG1 2.95Å; T169-T172 PolarHBondContact O-N 2.8Å; A170-T172 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 3.23Å; T172-L175 PolarHBondContact O-N 3.08Å; T172-R176 PolarHBondContact O-N 3.41Å; T172-R176 VanDerWaalsContact O-N 3.09Å; T172-C190 HydrophobicContact CG2-CB 3.96Å
173E98.9Very high98.8Very high82 Ų8262 Ų6238%0.38332%0.321SS..Hα-helixtrans-68.5-39.1175.4174.652.2-155.800111.7T169 A170 R176 Q177T169-E173 PolarHBondContact O-N 2.97Å; A170-E173 PolarHBondContact O-N 2.83Å; E173-R176 WeakPolarHBondContact O-CB 3.26Å; E173-R176 PolarHBondContact O-N 3.48Å; E173-R176 IonicContact OE1-CZ 3.36Å; E173-R176 IonicContact OE1-NE 3.8Å; E173-R176 PolarHBondContact OE1-NE 3.01Å; E173-R176 IonicContact OE1-NH2 2.74Å; E173-R176 PolarHBondContact OE1-NH2 2.94Å; E173-R176 IonicContact OE2-CZ 2.91Å; E173-R176 IonicContact OE2-NE 3.81Å; E173-R176 PolarHBondContact OE2-NE 3.01Å; E173-R176 IonicContact OE2-NH2 3.11Å; E173-Q177 WeakPolarHBondContact O-CG 3.28Å; E173-Q177 PolarHBondContact O-N 3.5Å; E173-Q177 PolarHBondContact OE1-NE2 2.85Å
174G98.9Very high98.8Very high24 Ų2461 Ų6125%0.24731%0.309CS..Hα-helixtrans-57.6-49.9172.300000112A170 L171 R176 Q177 E178A170-G174 PolarHBondContact O-N 3.08Å; L171-G174 PolarHBondContact O-N 3.11Å; G174-R176 VanDerWaalsContact C-N 3.3Å; G174-R176 PolarHBondContact O-N 3.09Å; G174-Q177 WeakPolarHBondContact O-CA 3.43Å; G174-Q177 WeakPolarHBondContact O-CB 3.42Å; G174-Q177 PolarHBondContact O-N 3.37Å; G174-E178 PolarHBondContact O-N 3.14Å
175L98.9Very high98.8Very high16 Ų1666.8 Ų66.88%0.08434%0.336CS..Hα-helixtrans-54.8-45.2176.2175.563.9000111.8T124 I141 L171 T172 Q177 E178 L179 A188T124-L175 HydrophobicContact CG2-CD1 3.66Å; T124-L175 HydrophobicContact CG2-CD2 3.62Å; T124-L175 HydrophobicContact CG2-CG 4.21Å; I141-L175 HydrophobicContact CB-CD2 4Å; I141-L175 HydrophobicContact CD1-CD1 4.48Å; I141-L175 HydrophobicContact CD1-CD2 4.14Å; I141-L175 HydrophobicContact CG2-CD2 3.84Å; L171-L175 WeakPolarHBondContact O-CB 3.46Å; L171-L175 PolarHBondContact O-N 3.34Å; T172-L175 PolarHBondContact O-N 3.08Å; L175-Q177 PolarHBondContact O-N 3.32Å; L175-E178 PolarHBondContact O-N 2.91Å; L175-L179 HydrophobicContact CD1-CD1 4.09Å; L175-L179 HydrophobicContact CD1-CD2 4.43Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CG-CD1 3.96Å; L175-L179 HydrophobicContact CG-CG 4.32Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.18Å; L175-A188 HydrophobicContact CB-CB 4.39Å; L175-A188 HydrophobicContact CD2-CB 3.78Å; L175-A188 HydrophobicContact CG-CB 3.9Å
176R98.9Very high98.8Very high50 Ų5066.7 Ų66.719%0.18934%0.335CS..Hα-helixtrans-58.4-37.4177.5-165.8-158.761.866.71.5112.2T172 E173 G174 R180 A188T172-R176 PolarHBondContact O-N 3.41Å; T172-R176 VanDerWaalsContact O-N 3.09Å; E173-R176 WeakPolarHBondContact O-CB 3.26Å; E173-R176 PolarHBondContact O-N 3.48Å; E173-R176 IonicContact OE1-CZ 3.36Å; E173-R176 IonicContact OE1-NE 3.8Å; E173-R176 PolarHBondContact OE1-NE 3.01Å; E173-R176 IonicContact OE1-NH2 2.74Å; E173-R176 PolarHBondContact OE1-NH2 2.94Å; E173-R176 IonicContact OE2-CZ 2.91Å; E173-R176 IonicContact OE2-NE 3.81Å; E173-R176 PolarHBondContact OE2-NE 3.01Å; E173-R176 IonicContact OE2-NH2 3.11Å; G174-R176 VanDerWaalsContact C-N 3.3Å; G174-R176 PolarHBondContact O-N 3.09Å; R176-R180 PolarHBondContact O-N 3.4Å; R176-A188 HydrophobicContact CB-CB 4.1Å
177Q98.9Very high98.8Very high84 Ų8462.3 Ų62.339%0.39332%0.318SS..Hα-helixtrans-72.5-42.4177.8-64.7176.123.900111.9E173 G174 L175 R180 E181E173-Q177 WeakPolarHBondContact O-CG 3.28Å; E173-Q177 PolarHBondContact O-N 3.5Å; E173-Q177 PolarHBondContact OE1-NE2 2.85Å; G174-Q177 WeakPolarHBondContact O-CA 3.43Å; G174-Q177 WeakPolarHBondContact O-CB 3.42Å; G174-Q177 PolarHBondContact O-N 3.37Å; L175-Q177 PolarHBondContact O-N 3.32Å; Q177-R180 WeakPolarHBondContact O-CB 3.45Å; Q177-R180 PolarHBondContact O-N 3.39Å; Q177-E181 PolarHBondContact O-N 3.4Å
178E98.9Very high98.8Very high128 Ų12860.8 Ų60.860%0.59831%0.306SS*.Hα-helixtrans-62.4-43.4176.3-70.3-177.3-148.600111.9G174 L175 R180 E181 A182G174-E178 PolarHBondContact O-N 3.14Å; L175-E178 PolarHBondContact O-N 2.91Å; E178-R180 VanDerWaalsContact C-N 3.28Å; E178-R180 PolarHBondContact O-N 3.37Å; E178-E181 PolarHBondContact O-N 3.26Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.05Å
179L98.9Very high98.8Very high4 Ų460.8 Ų60.82%0.02131%0.306CS..Hα-helixtrans-62-36177.3-69.7173.6000112.5Y128 L175 K183 T184 I186 A188Y128-L179 HydrophobicContact CD2-CD2 3.7Å; Y128-L179 HydrophobicContact CE2-CD2 3.94Å; L175-L179 HydrophobicContact CD1-CD1 4.09Å; L175-L179 HydrophobicContact CD1-CD2 4.43Å; L175-L179 HydrophobicContact CD1-CG 4.02Å; L175-L179 HydrophobicContact CG-CD1 3.96Å; L175-L179 HydrophobicContact CG-CG 4.32Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-L179 PolarHBondContact O-N 3.18Å; L179-K183 PolarHBondContact O-N 3.31Å; L179-T184 PolarHBondContact O-N 2.65Å; L179-T184 VanDerWaalsContact O-N 3.09Å; L179-T184 PolarHBondContact O-OG1 3.24Å; L179-I186 HydrophobicContact CD1-CB 4.28Å; L179-I186 HydrophobicContact CD1-CG2 3.89Å; L179-I186 HydrophobicContact CD2-CB 3.99Å; L179-I186 HydrophobicContact CD2-CD1 4.41Å; L179-I186 HydrophobicContact CD2-CG2 3.94Å; L179-A188 HydrophobicContact CD1-CB 4.06Å
180R98.6Very high98.8Very high149 Ų14959.3 Ų59.356%0.56230%0.297SS*.Hα-helixtrans-69.1-43.2173.8178.7-170.863.3-157.2-5.4111.6R176 Q177 E178 A182 K183R176-R180 PolarHBondContact O-N 3.4Å; Q177-R180 WeakPolarHBondContact O-CB 3.45Å; Q177-R180 PolarHBondContact O-N 3.39Å; E178-R180 VanDerWaalsContact C-N 3.28Å; E178-R180 PolarHBondContact O-N 3.37Å; R180-A182 VanDerWaalsContact C-N 3.29Å; R180-A182 PolarHBondContact O-N 2.91Å; R180-K183 WeakPolarHBondContact O-CA 3.48Å; R180-K183 PolarHBondContact O-N 2.92Å
181E98.8Very high98.8Very high160 Ų16056 Ų5675%0.74827%0.27SS*.Hα-helixtrans-63-38.2176.8-177.3173.6-174.700111.6Q177 E178 K183Q177-E181 PolarHBondContact O-N 3.4Å; E178-E181 PolarHBondContact O-N 3.26Å; E181-K183 PolarHBondContact O-N 3.2Å; E181-K183 VanDerWaalsContact O-N 3.12Å
182A98.6Very high98.8Very high44 Ų4452.9 Ų52.936%0.36425%0.253SS..THydrogen-bonded Turntrans-68.2-2.2171.200000113.9E178 R180 T184E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 3.05Å; R180-A182 VanDerWaalsContact C-N 3.29Å; R180-A182 PolarHBondContact O-N 2.91Å; A182-T184 VanDerWaalsContact C-N 3.27Å; A182-T184 HydrophobicContact CB-CG2 4.01Å; A182-T184 PolarHBondContact O-N 3.22Å
183K98.4Very high98.8Very high184 Ų18452.9 Ų52.980%0.825%0.254SS*.THydrogen-bonded Turntrans56.837.2-179.6-56179.9-178176.60113.5L179 R180 E181L179-K183 PolarHBondContact O-N 3.31Å; R180-K183 WeakPolarHBondContact O-CA 3.48Å; R180-K183 PolarHBondContact O-N 2.92Å; E181-K183 PolarHBondContact O-N 3.2Å; E181-K183 VanDerWaalsContact O-N 3.12Å
184T98.8Very high98.7Very high30 Ų3049.7 Ų49.718%0.18424%0.242CC..  trans-98.5160.6176.5710000111.6D137 L179 A182 I186D137-T184 WeakPolarHBondContact OD1-CA 3.41Å; D137-T184 WeakPolarHBondContact OD1-CB 3.42Å; L179-T184 PolarHBondContact O-N 2.65Å; L179-T184 VanDerWaalsContact O-N 3.09Å; L179-T184 PolarHBondContact O-OG1 3.24Å; A182-T184 VanDerWaalsContact C-N 3.27Å; A182-T184 HydrophobicContact CB-CG2 4.01Å; A182-T184 PolarHBondContact O-N 3.22Å; T184-I186 HydrophobicContact CG2-CD1 4.24Å; T184-I186 PolarHBondContact OG1-N 3.22Å
185H98.8Very high98.5Very high128 Ų12850.8 Ų50.859%0.59324%0.242SC*.  trans-99.716.1165.3-51.888000112.1D137D137-H185 CarbonylContact O-C 3.3Å; D137-H185 WeakPolarHBondContact O-CA 3.45Å; D137-H185 WeakPolarHBondContact O-CB 3.31Å; D137-H185 PolarHBondContact O-N 3Å; D137-H185 PolarHBondContact OD1-N 2.97Å; D137-H185 IonicContact OD1-ND1 3.72Å; D137-H185 IonicContact OD2-CE1 3.61Å; D137-H185 IonicContact OD2-CG 3.74Å; D137-H185 IonicContact OD2-ND1 2.72Å; D137-H185 PolarHBondContact OD2-ND1 3.25Å
186I98.9Very high98.5Very high6 Ų650.7 Ų50.73%0.03124%0.242CC..  trans-65.2136.3170.1-60.4168.7000107.6Y128 M131 D137 G139 L179 T184Y128-I186 HydrophobicContact CD2-CD1 4.08Å; Y128-I186 HydrophobicContact CE2-CD1 4.31Å; M131-I186 HydrophobicContact CB-CD1 3.94Å; M131-I186 HydrophobicContact SD-CD1 3.9Å; M131-I186 HydrophobicContact SD-CG1 4.18Å; M131-I186 HydrophobicContact SD-CG2 3.88Å; D137-I186 PolarHBondContact O-N 3.43Å; D137-I186 VanDerWaalsContact O-N 3.09Å; G139-I186 WeakPolarHBondContact O-CA 3.18Å; L179-I186 HydrophobicContact CD1-CB 4.28Å; L179-I186 HydrophobicContact CD1-CG2 3.89Å; L179-I186 HydrophobicContact CD2-CB 3.99Å; L179-I186 HydrophobicContact CD2-CD1 4.41Å; L179-I186 HydrophobicContact CD2-CG2 3.94Å; T184-I186 HydrophobicContact CG2-CD1 4.24Å; T184-I186 PolarHBondContact OG1-N 3.22Å
187R98.9Very high98.3Very high6 Ų652.3 Ų52.32%0.02325%0.252CS..EExtended strand (participates in β ladder)trans-103.7149.9-174.7-57.9-176.3-58.7173.85.9111.7G139 H140 I141 V234 T237 P238 V241 Q242G139-R187 PolarHBondContact O-N 3.08Å; H140-R187 VanDerWaalsContact CD2-CB 3.49Å; H140-R187 WeakPolarHBondContact CD2-CB 3.31Å; H140-R187 PolarHBondContact CD2-O 2.92Å; H140-R187 PolarHBondContact CE1-NH2 3.48Å; H140-R187 VanDerWaalsContact CE1-NH2 3.34Å; H140-R187 PolarHBondContact ND1-NH2 2.79Å; H140-R187 WeakPolarHBondContact NE2-CB 3.25Å; I141-R187 PolarHBondContact N-O 3.03Å; R187-V234 PolarHBondContact NH2-O 2.91Å; R187-T237 PolarHBondContact NH1-OG1 3.08Å; R187-P238 PolarHBondContact NH1-O 2.67Å; R187-V241 WeakPolarHBondContact CD-O 3.31Å; R187-V241 PolarHBondContact NH1-O 2.85Å; R187-Q242 HydrophobicContact CB-CG 4.49Å
188A98.9Very high98.2Very high2 Ų249.6 Ų49.62%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-122.2129.4169.500000110I141 L175 R176 L179I141-A188 WeakPolarHBondContact O-CA 3.36Å; L175-A188 HydrophobicContact CB-CB 4.39Å; L175-A188 HydrophobicContact CD2-CB 3.78Å; L175-A188 HydrophobicContact CG-CB 3.9Å; R176-A188 HydrophobicContact CB-CB 4.1Å; L179-A188 HydrophobicContact CD1-CB 4.06Å
189T98.9Very high97.8Very high0 Ų046.9 Ų46.90%023%0.229CC..EExtended strand (participates in β ladder)trans-135.2149.3177.3-55.10000110.1H140 I141 I142 N143 I191 V234 I243H140-T189 PolarHBondContact CE1-OG1 3.13Å; H140-T189 PolarHBondContact NE2-OG1 3.4Å; I141-T189 PolarHBondContact O-N 3.41Å; I142-T189 CarbonylContact C-O 3.52Å; I142-T189 VanDerWaalsContact CA-O 3.31Å; I142-T189 WeakPolarHBondContact CA-O 3.2Å; N143-T189 PolarHBondContact N-O 2.95Å; T189-I191 HydrophobicContact CG2-CD1 4.19Å; T189-V234 HydrophobicContact CG2-CG1 3.81Å; T189-V234 HydrophobicContact CG2-CG2 4.09Å; T189-V234 WeakPolarHBondContact OG1-CG1 3.33Å; T189-I243 WeakPolarHBondContact CB-O 3.45Å; T189-I243 HydrophobicContact CG2-CB 4.42Å; T189-I243 HydrophobicContact CG2-CG2 4.34Å; T189-I243 VanDerWaalsContact CG2-O 3.3Å; T189-I243 WeakPolarHBondContact CG2-O 3.24Å; T189-I243 PolarHBondContact OG1-O 3.45Å
190C97.9Very high97.6Very high7 Ų749.9 Ų49.95%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-113.2149.5157.558.20000112.3N143 N145 T172 G244 D245 V246N143-C190 HydrophobicContact CB-CB 4.4Å; N143-C190 CarbonylContact O-C 3.55Å; N143-C190 WeakPolarHBondContact O-CA 3.36Å; N145-C190 HydrophobicContact CB-CB 4.06Å; T172-C190 HydrophobicContact CG2-CB 3.96Å; C190-G244 PolarHBondContact N-O 3.01Å; C190-G244 PolarHBondContact SG-O 3.32Å; C190-D245 VanDerWaalsContact O-CA 3.31Å; C190-D245 WeakPolarHBondContact O-CA 3.3Å; C190-D245 PolarHBondContact SG-OD1 2.98Å; C190-V246 PolarHBondContact O-N 3.47Å; C190-V246 VanDerWaalsContact O-N 3.09Å
191I98.9Very high97.2Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans-112.9122.5168.7-50.6-63.8000106.8I142 N143 I144 N145 T189 P193 I227 A230 V231 V234 V246 M248I142-I191 HydrophobicContact CG2-CD1 4.49Å; I142-I191 HydrophobicContact CG2-CG1 3.84Å; N143-I191 PolarHBondContact O-N 2.92Å; I144-I191 HydrophobicContact CD1-CB 4.06Å; I144-I191 HydrophobicContact CD1-CG1 4.14Å; N145-I191 CarbonylContact C-O 3.55Å; N145-I191 WeakPolarHBondContact CA-O 3.28Å; N145-I191 PolarHBondContact N-O 3.41Å; T189-I191 HydrophobicContact CG2-CD1 4.19Å; I191-P193 VanDerWaalsContact C-CD 3.44Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å; I191-I227 HydrophobicContact CG2-CG2 4.06Å; I191-A230 HydrophobicContact CD1-CB 4.3Å; I191-A230 HydrophobicContact CG2-CB 4.14Å; I191-V231 HydrophobicContact CG1-CG2 4.16Å; I191-V234 HydrophobicContact CD1-CG2 3.89Å; I191-V246 HydrophobicContact CD1-CB 3.92Å; I191-V246 HydrophobicContact CD1-CG2 3.9Å; I191-M248 HydrophobicContact CG2-SD 4.39Å
192S98.8Very high96.9Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-11779.1-169.7-59.70000111.1H150 D245 V246 Q247 M248H150-S192 VanDerWaalsContact NE2-CB 3.3Å; H150-S192 WeakPolarHBondContact NE2-CB 3.41Å; H150-S192 PolarHBondContact NE2-OG 2.93Å; S192-D245 WeakPolarHBondContact CB-OD1 3.15Å; S192-D245 PolarHBondContact OG-OD1 3.33Å; S192-D245 PolarHBondContact OG-OD2 3.02Å; S192-V246 PolarHBondContact N-O 2.97Å; S192-Q247 WeakPolarHBondContact O-CA 3.42Å; S192-M248 PolarHBondContact O-N 3.15Å; S192-M248 VanDerWaalsContact O-N 3.11Å
193P98.4Very high96.5Very high7 Ų743.6 Ų43.65%0.04521%0.205CC..EExtended strand (participates in β ladder)trans-77.6151.2-179.231.8-36.5000113.4S146 M147 I191 V196 L222 I227 M248S146-P193 CarbonylContact C-O 3.58Å; S146-P193 WeakPolarHBondContact CA-O 3.49Å; M147-P193 PolarHBondContact N-O 3.32Å; I191-P193 VanDerWaalsContact C-CD 3.44Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-V196 HydrophobicContact CB-CG2 3.68Å; P193-V196 HydrophobicContact CG-CG2 4.24Å; P193-L222 HydrophobicContact CB-CD1 4.36Å; P193-I227 HydrophobicContact CB-CD1 3.59Å; P193-I227 HydrophobicContact CB-CG1 4.46Å; P193-I227 HydrophobicContact CG-CD1 4.34Å; P193-M248 CarbonylContact C-O 2.91Å; P193-M248 WeakPolarHBondContact CA-O 3.5Å; P193-M248 HydrophobicContact CB-CG 4.3Å
194G97Very high96.2Very high14 Ų1435.2 Ų35.214%0.14417%0.169CC..SBendtrans-76.5-141.7161.400000111.2V196 M248G194-V196 PolarHBondContact O-N 3.19Å; G194-M248 PolarHBondContact N-O 3.18Å
195I95.8Very high95.7Very high47 Ų4734.2 Ų34.224%0.24116%0.162CC..  trans-71.9121-178.5-56169.4000109.9V215 Y216 I219 C221 L222 P250I195-V215 HydrophobicContact CG2-CG1 3.9Å; I195-Y216 HydrophobicContact CG2-CD1 4.02Å; I195-Y216 HydrophobicContact CG2-CE1 4.05Å; I195-I219 HydrophobicContact CD1-CD1 3.96Å; I195-C221 HydrophobicContact CG2-CB 4.23Å; I195-C221 WeakPolarHBondContact CG2-SG 3.35Å; I195-L222 WeakPolarHBondContact O-CB 3.5Å; I195-L222 PolarHBondContact O-N 2.9Å; I195-P250 HydrophobicContact CB-CG 4.29Å; I195-P250 WeakPolarHBondContact O-CG 3.38Å
196V97.4Very high95.1Very high14 Ų1433.8 Ų33.89%0.08516%0.164CC..EExtended strand (participates in β ladder)trans-118.9124.3176.5-1660000109.4I18 P193 G194 T198 Y216 L222 I227I18-V196 HydrophobicContact CD1-CB 4.35Å; I18-V196 HydrophobicContact CD1-CG1 4.3Å; I18-V196 HydrophobicContact CD1-CG2 4.19Å; I18-V196 HydrophobicContact CG1-CG1 4.19Å; P193-V196 HydrophobicContact CB-CG2 3.68Å; P193-V196 HydrophobicContact CG-CG2 4.24Å; G194-V196 PolarHBondContact O-N 3.19Å; V196-T198 HydrophobicContact CB-CG2 4.37Å; V196-T198 HydrophobicContact CG1-CG2 3.92Å; V196-T198 PolarHBondContact O-N 3.47Å; V196-Y216 WeakPolarHBondContact O-CE1 3.45Å; V196-Y216 PolarHBondContact O-OH 2.98Å; V196-L222 CarbonylContact C-O 3.54Å; V196-L222 WeakPolarHBondContact CA-O 3.32Å; V196-L222 HydrophobicContact CB-CB 4.4Å; V196-L222 HydrophobicContact CG1-CB 4.28Å; V196-L222 HydrophobicContact CG2-CB 4.09Å; V196-L222 HydrophobicContact CG2-CD1 4.3Å; V196-I227 HydrophobicContact CG1-CG1 4.18Å; V196-I227 HydrophobicContact CG2-CD1 4Å; V196-I227 HydrophobicContact CG2-CG1 4.08Å
197E96.4Very high94.5Very high84 Ų8438.1 Ų38.139%0.39320%0.195SC..EExtended strand (participates in β ladder)trans-70.1102.6-179.9-169.1-178.6128.600111Y216 C221 L222 K223E197-Y216 HydrophobicContact CB-CD1 4.19Å; E197-Y216 HydrophobicContact CB-CE1 4.44Å; E197-Y216 HydrophobicContact CB-CG 4.35Å; E197-Y216 HydrophobicContact CG-CD1 4.2Å; E197-Y216 HydrophobicContact CG-CD2 3.97Å; E197-Y216 HydrophobicContact CG-CE2 4.37Å; E197-Y216 HydrophobicContact CG-CG 3.86Å; E197-C221 HydrophobicContact CB-CB 4.12Å; E197-L222 PolarHBondContact N-O 2.82Å; E197-K223 HydrophobicContact CB-CD 4.34Å; E197-K223 IonicContact OE1-NZ 3.75Å; E197-K223 PolarHBondContact OE1-NZ 2.89Å; E197-K223 VanDerWaalsContact OE1-NZ 3.08Å; E197-K223 IonicContact OE2-NZ 2.99Å; E197-K223 PolarHBondContact OE2-NZ 3.39Å
198T95.1Very high94.1Very high27 Ų2741 Ų4117%0.16621%0.211CC..SBendtrans-148.4-176.4-177.964.50000110.9I18 V196 F200 Y216 A224I18-T198 HydrophobicContact CG1-CG2 4.3Å; V196-T198 HydrophobicContact CB-CG2 4.37Å; V196-T198 HydrophobicContact CG1-CG2 3.92Å; V196-T198 PolarHBondContact O-N 3.47Å; T198-F200 PolarHBondContact O-N 2.7Å; T198-F200 VanDerWaalsContact O-N 3.08Å; T198-F200 WeakPolarHBondContact OG1-CB 3.34Å; T198-F200 PolarHBondContact OG1-N 2.95Å; T198-F200 VanDerWaalsContact OG1-N 3.11Å; T198-Y216 PolarHBondContact N-OH 3.21Å; T198-Y216 WeakPolarHBondContact O-CE2 3.37Å; T198-Y216 VanDerWaalsContact O-CZ 3.29Å; T198-Y216 PolarHBondContact O-OH 2.73Å; T198-A224 HydrophobicContact CG2-CB 4.49Å
199E92.3Very high93.5Very high72 Ų7244.8 Ų44.834%0.33624%0.236SC..SBendtrans-65.5-3.7168.9-64.2-174.8-168.300113.4V16 K42 F202 R203V16-E199 WeakPolarHBondContact CG1-OE1 3.41Å; K42-E199 IonicContact NZ-OE1 2.85Å; K42-E199 PolarHBondContact NZ-OE1 3.31Å; K42-E199 IonicContact NZ-OE2 2.67Å; E199-F202 PolarHBondContact O-N 3.43Å; E199-R203 WeakPolarHBondContact O-CG 3.41Å; E199-R203 PolarHBondContact O-N 3.15Å; E199-R203 IonicContact OE2-CZ 3.69Å; E199-R203 IonicContact OE2-NE 3.74Å; E199-R203 PolarHBondContact OE2-NE 2.78Å; E199-R203 IonicContact OE2-NH2 3.97Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å
200F93.5Very high93.1Very high67 Ų6752.7 Ų52.729%0.29427%0.273SS..Hα-helixtrans-59.4-55-174.6-172.9-87.9000113A96 Y161 T198 F202 R203 H204A96-F200 HydrophobicContact CB-CE1 4.08Å; A96-F200 HydrophobicContact CB-CE2 4.4Å; A96-F200 HydrophobicContact CB-CZ 3.58Å; Y161-F200 HydrophobicContact CD2-CZ 4.23Å; Y161-F200 HydrophobicContact CE1-CZ 4.4Å; Y161-F200 HydrophobicContact CE2-CE2 4.18Å; Y161-F200 AromaticContact CE2-CZ 3.74Å; Y161-F200 HydrophobicContact CE2-CZ 3.74Å; Y161-F200 AromaticContact CZ-CZ 3.83Å; T198-F200 PolarHBondContact O-N 2.7Å; T198-F200 VanDerWaalsContact O-N 3.08Å; T198-F200 WeakPolarHBondContact OG1-CB 3.34Å; T198-F200 PolarHBondContact OG1-N 2.95Å; T198-F200 VanDerWaalsContact OG1-N 3.11Å; F200-F202 VanDerWaalsContact C-N 3.31Å; F200-F202 PolarHBondContact O-N 3.47Å; F200-R203 PolarHBondContact O-N 3.35Å; F200-R203 VanDerWaalsContact O-N 3.1Å; F200-H204 WeakPolarHBondContact O-CB 3.47Å; F200-H204 PolarHBondContact O-N 3.4Å
201A91.2Very high92.7Very high5 Ų556 Ų564%0.04129%0.286CS..Hα-helixtrans-60.4-39.8-179.900000112.3R203 H204 H205 A212 V215 Y216A201-R203 VanDerWaalsContact C-N 3.29Å; A201-R203 PolarHBondContact O-N 3.33Å; A201-H204 PolarHBondContact O-N 3.07Å; A201-H205 PolarHBondContact O-N 2.97Å; A201-A212 HydrophobicContact CB-CB 4.29Å; A201-V215 HydrophobicContact CB-CB 4.25Å; A201-V215 HydrophobicContact CB-CG1 4.3Å; A201-V215 HydrophobicContact CB-CG2 4.46Å; A201-Y216 HydrophobicContact CB-CE1 4.04Å; A201-Y216 HydrophobicContact CB-CE2 3.69Å; A201-Y216 VanDerWaalsContact CB-OH 3.31Å; A201-Y216 WeakPolarHBondContact CB-OH 3.42Å; A201-Y216 PolarHBondContact N-OH 3.25Å
202F92.3Very high92.1Very high99 Ų9956 Ų5643%0.43429%0.286SS..Hα-helixtrans-65.8-30.1177-69.5-79.4000113.2E199 F200 N206 A212 A213 Y216E199-F202 PolarHBondContact O-N 3.43Å; F200-F202 VanDerWaalsContact C-N 3.31Å; F200-F202 PolarHBondContact O-N 3.47Å; F202-N206 VanDerWaalsContact O-CA 3.31Å; F202-N206 WeakPolarHBondContact O-CA 3.41Å; F202-N206 PolarHBondContact O-N 3.32Å; F202-A212 HydrophobicContact CB-CB 4.35Å; F202-A212 HydrophobicContact CD1-CB 3.52Å; F202-A212 HydrophobicContact CE1-CB 3.84Å; F202-A212 HydrophobicContact CG-CB 3.9Å; F202-A212 HydrophobicContact CZ-CB 4.47Å; F202-A213 HydrophobicContact CZ-CB 4.41Å; F202-Y216 HydrophobicContact CD2-CE2 4.05Å; F202-Y216 HydrophobicContact CE2-CD2 4Å; F202-Y216 AromaticContact CE2-CE2 3.81Å; F202-Y216 HydrophobicContact CE2-CE2 3.81Å
203R90.6Very high91.7Very high116 Ų11657.2 Ų57.244%0.43830%0.296SS..Hα-helixtrans-79.6-36.9173-69.7175.6-174.7-171.12.1112.1E199 F200 A201E199-R203 WeakPolarHBondContact O-CG 3.41Å; E199-R203 PolarHBondContact O-N 3.15Å; E199-R203 IonicContact OE2-CZ 3.69Å; E199-R203 IonicContact OE2-NE 3.74Å; E199-R203 PolarHBondContact OE2-NE 2.78Å; E199-R203 IonicContact OE2-NH2 3.97Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å; F200-R203 PolarHBondContact O-N 3.35Å; F200-R203 VanDerWaalsContact O-N 3.1Å; A201-R203 VanDerWaalsContact C-N 3.29Å; A201-R203 PolarHBondContact O-N 3.33Å
204H90.7Very high91.3Very high8 Ų859.2 Ų59.24%0.03731%0.314CS..Hα-helixtrans-67.8-43.5179.3-178.846.4000112A96 D157 F200 A201A96-H204 HydrophobicContact CB-CB 4.39Å; A96-H204 VanDerWaalsContact CB-ND1 3.32Å; A96-H204 WeakPolarHBondContact CB-ND1 3.23Å; A96-H204 WeakPolarHBondContact O-CA 3.45Å; A96-H204 PolarHBondContact O-ND1 3.29Å; D157-H204 PolarHBondContact O-CE1 3.49Å; D157-H204 VanDerWaalsContact O-CE1 3.25Å; F200-H204 WeakPolarHBondContact O-CB 3.47Å; F200-H204 PolarHBondContact O-N 3.4Å; A201-H204 PolarHBondContact O-N 3.07Å
205H89Confident90.8Very high9 Ų960.6 Ų60.64%0.04232%0.319CS..THydrogen-bonded Turntrans-106.549.2176.6-55.9-52000110.9A201 S207 D208 K211 A212A201-H205 PolarHBondContact O-N 2.97Å; H205-S207 PolarHBondContact O-N 3.24Å; H205-S207 VanDerWaalsContact O-N 3.15Å; H205-D208 CarbonylContact O-C 3.19Å; H205-D208 PolarHBondContact O-N 3.49Å; H205-D208 VanDerWaalsContact O-O 3.09Å; H205-K211 VanDerWaalsContact CE1-CE 3.48Å; H205-K211 WeakPolarHBondContact CE1-CE 3.41Å; H205-A212 HydrophobicContact CB-CB 4.23Å
206N85.8Confident90.5Very high119 Ų11959.6 Ų59.664%0.63631%0.312SS*.THydrogen-bonded Turntrans-61.6-23.6-176.465.3-2.1000114.3F202F202-N206 VanDerWaalsContact O-CA 3.31Å; F202-N206 WeakPolarHBondContact O-CA 3.41Å; F202-N206 PolarHBondContact O-N 3.32Å
207S87.5Confident90.2Very high98 Ų9866.4 Ų66.469%0.68534%0.343SS*.THydrogen-bonded Turntrans-87-7.6174.961.40000113.5H205H205-S207 PolarHBondContact O-N 3.24Å; H205-S207 VanDerWaalsContact O-N 3.15Å
208D89Confident89.6Confident66 Ų6666.4 Ų66.435%0.35335%0.352SS..  trans-144.280-175.7-170.5-15.1000111H205 E210 K211 A212H205-D208 CarbonylContact O-C 3.19Å; H205-D208 PolarHBondContact O-N 3.49Å; H205-D208 VanDerWaalsContact O-O 3.09Å; D208-E210 VanDerWaalsContact C-N 3.25Å; D208-E210 PolarHBondContact O-N 3.17Å; D208-E210 PolarHBondContact OD1-N 3.26Å; D208-K211 HydrophobicContact CB-CB 4.02Å; D208-K211 PolarHBondContact O-N 2.83Å; D208-K211 WeakPolarHBondContact OD1-CB 3.21Å; D208-K211 PolarHBondContact OD1-N 3.49Å; D208-K211 WeakPolarHBondContact OD2-CB 3.48Å; D208-A212 PolarHBondContact O-N 3.03Å; D208-A212 VanDerWaalsContact O-N 3.15Å
209P87.9Confident89.5Confident82 Ų8266.6 Ų66.653%0.53235%0.352SS..Hα-helixtrans-64-27.2-179.3-22.534.3000114A212 A213P209-A212 WeakPolarHBondContact O-CB 3.36Å; P209-A212 PolarHBondContact O-N 3.31Å; P209-A213 PolarHBondContact O-N 2.96Å
210E90.2Very high89.6Confident166 Ų16671.2 Ų71.278%0.77637%0.371SS*.Hα-helixtrans-68-44.4177.1-67.8-176.3-177.900110.2D208 A212 A213 A214D208-E210 VanDerWaalsContact C-N 3.25Å; D208-E210 PolarHBondContact O-N 3.17Å; D208-E210 PolarHBondContact OD1-N 3.26Å; E210-A212 VanDerWaalsContact C-N 3.3Å; E210-A212 PolarHBondContact O-N 3.37Å; E210-A213 PolarHBondContact O-N 3.07Å; E210-A214 WeakPolarHBondContact O-CB 3.49Å; E210-A214 PolarHBondContact O-N 2.67Å
211K88.1Confident89.8Confident76 Ų7668.4 Ų68.433%0.3336%0.36SS..Hα-helixtrans-59.3-41.4171.6-174.7177-177.2176.40111.7D157 H205 D208 A214 V215D157-K211 IonicContact OD2-NZ 3.44Å; D157-K211 PolarHBondContact OD2-NZ 3.16Å; H205-K211 VanDerWaalsContact CE1-CE 3.48Å; H205-K211 WeakPolarHBondContact CE1-CE 3.41Å; D208-K211 HydrophobicContact CB-CB 4.02Å; D208-K211 PolarHBondContact O-N 2.83Å; D208-K211 WeakPolarHBondContact OD1-CB 3.21Å; D208-K211 PolarHBondContact OD1-N 3.49Å; D208-K211 WeakPolarHBondContact OD2-CB 3.48Å; K211-A214 PolarHBondContact O-N 3.04Å; K211-V215 WeakPolarHBondContact O-CG2 3.44Å; K211-V215 PolarHBondContact O-N 3.3Å
212A87.1Confident90.1Very high0 Ų069 Ų690%036%0.362CS..Hα-helixtrans-61.8-42.9176.400000113.1A201 F202 H205 D208 P209 E210A201-A212 HydrophobicContact CB-CB 4.29Å; F202-A212 HydrophobicContact CB-CB 4.35Å; F202-A212 HydrophobicContact CD1-CB 3.52Å; F202-A212 HydrophobicContact CE1-CB 3.84Å; F202-A212 HydrophobicContact CG-CB 3.9Å; F202-A212 HydrophobicContact CZ-CB 4.47Å; H205-A212 HydrophobicContact CB-CB 4.23Å; D208-A212 PolarHBondContact O-N 3.03Å; D208-A212 VanDerWaalsContact O-N 3.15Å; P209-A212 WeakPolarHBondContact O-CB 3.36Å; P209-A212 PolarHBondContact O-N 3.31Å; E210-A212 VanDerWaalsContact C-N 3.3Å; E210-A212 PolarHBondContact O-N 3.37Å
213A89.8Confident90.4Very high25 Ų2568.2 Ų68.221%0.20736%0.358CS..Hα-helixtrans-66-43.3176.800000111.5F202 P209 E210 V215 Y216 E217F202-A213 HydrophobicContact CZ-CB 4.41Å; P209-A213 PolarHBondContact O-N 2.96Å; E210-A213 PolarHBondContact O-N 3.07Å; A213-V215 PolarHBondContact O-N 3.06Å; A213-Y216 PolarHBondContact O-N 3.08Å; A213-E217 WeakPolarHBondContact O-CG 3.39Å; A213-E217 PolarHBondContact O-N 3.35Å
214A90.1Very high90.8Very high50 Ų5063.1 Ų63.141%0.41334%0.341SS..Hα-helixtrans-58.7-32.5179.800000113.3E210 K211 Y216 E217 S218E210-A214 WeakPolarHBondContact O-CB 3.49Å; E210-A214 PolarHBondContact O-N 2.67Å; K211-A214 PolarHBondContact O-N 3.04Å; A214-Y216 PolarHBondContact O-N 3.37Å; A214-E217 PolarHBondContact O-N 2.92Å; A214-S218 WeakPolarHBondContact O-CB 3.48Å; A214-S218 PolarHBondContact O-N 2.83Å; A214-S218 VanDerWaalsContact O-N 3.17Å; A214-S218 PolarHBondContact O-OG 3.42Å
215V87.4Confident91.1Very high42 Ų4267.6 Ų67.626%0.25536%0.362SS..Hα-helixtrans-55.6-40.4173.8172.10000111.2I195 A201 K211 A213 S218I195-V215 HydrophobicContact CG2-CG1 3.9Å; A201-V215 HydrophobicContact CB-CB 4.25Å; A201-V215 HydrophobicContact CB-CG1 4.3Å; A201-V215 HydrophobicContact CB-CG2 4.46Å; K211-V215 WeakPolarHBondContact O-CG2 3.44Å; K211-V215 PolarHBondContact O-N 3.3Å; A213-V215 PolarHBondContact O-N 3.06Å; V215-S218 PolarHBondContact O-OG 3.03Å
216Y90.1Very high91.6Very high26 Ų2670.2 Ų70.210%0.10238%0.376CS..Hα-helixtrans-93.4-21.7-175.3-57.2-40.4000114.3I195 V196 E197 T198 A201 F202 A213 A214 I219I195-Y216 HydrophobicContact CG2-CD1 4.02Å; I195-Y216 HydrophobicContact CG2-CE1 4.05Å; V196-Y216 WeakPolarHBondContact O-CE1 3.45Å; V196-Y216 PolarHBondContact O-OH 2.98Å; E197-Y216 HydrophobicContact CB-CD1 4.19Å; E197-Y216 HydrophobicContact CB-CE1 4.44Å; E197-Y216 HydrophobicContact CB-CG 4.35Å; E197-Y216 HydrophobicContact CG-CD1 4.2Å; E197-Y216 HydrophobicContact CG-CD2 3.97Å; E197-Y216 HydrophobicContact CG-CE2 4.37Å; E197-Y216 HydrophobicContact CG-CG 3.86Å; T198-Y216 PolarHBondContact N-OH 3.21Å; T198-Y216 WeakPolarHBondContact O-CE2 3.37Å; T198-Y216 VanDerWaalsContact O-CZ 3.29Å; T198-Y216 PolarHBondContact O-OH 2.73Å; A201-Y216 HydrophobicContact CB-CE1 4.04Å; A201-Y216 HydrophobicContact CB-CE2 3.69Å; A201-Y216 VanDerWaalsContact CB-OH 3.31Å; A201-Y216 WeakPolarHBondContact CB-OH 3.42Å; A201-Y216 PolarHBondContact N-OH 3.25Å; F202-Y216 HydrophobicContact CD2-CE2 4.05Å; F202-Y216 HydrophobicContact CE2-CD2 4Å; F202-Y216 AromaticContact CE2-CE2 3.81Å; F202-Y216 HydrophobicContact CE2-CE2 3.81Å; A213-Y216 PolarHBondContact O-N 3.08Å; A214-Y216 PolarHBondContact O-N 3.37Å; Y216-I219 VanDerWaalsContact O-O 3.08Å
217E90.3Very high92.2Very high158 Ų15864.5 Ų64.574%0.73835%0.346SS*.Hα-helixtrans-81.5-24.6177.6-70176.2-174.600112.8A213 A214 I219A213-E217 WeakPolarHBondContact O-CG 3.39Å; A213-E217 PolarHBondContact O-N 3.35Å; A214-E217 PolarHBondContact O-N 2.92Å; E217-I219 VanDerWaalsContact C-N 3.3Å; E217-I219 PolarHBondContact O-N 2.9Å
218S84.1Confident92.8Very high83 Ų8360.1 Ų60.158%0.5832%0.316SS*.SBendtrans-65.4-30.2-175.265.10000114.3A214 V215A214-S218 WeakPolarHBondContact O-CB 3.48Å; A214-S218 PolarHBondContact O-N 2.83Å; A214-S218 VanDerWaalsContact O-N 3.17Å; A214-S218 PolarHBondContact O-OG 3.42Å; V215-S218 PolarHBondContact O-OG 3.03Å
219I92Very high93.2Very high32 Ų3260.4 Ų60.416%0.16432%0.323CS..SBendtrans-149.8160.4-178.362.6174.1000111.1I195 Y216 E217 C221 P250 E252 Q253I195-I219 HydrophobicContact CD1-CD1 3.96Å; Y216-I219 VanDerWaalsContact O-O 3.08Å; E217-I219 VanDerWaalsContact C-N 3.3Å; E217-I219 PolarHBondContact O-N 2.9Å; I219-C221 VanDerWaalsContact C-N 3.33Å; I219-C221 PolarHBondContact O-N 2.92Å; I219-C221 PolarHBondContact O-SG 3.33Å; I219-C221 VanDerWaalsContact O-SG 3.39Å; I219-P250 HydrophobicContact CD1-CB 3.83Å; I219-P250 HydrophobicContact CD1-CG 3.93Å; I219-E252 VanDerWaalsContact CA-OE2 3.29Å; I219-E252 WeakPolarHBondContact CA-OE2 3.46Å; I219-E252 HydrophobicContact CB-CB 3.9Å; I219-E252 WeakPolarHBondContact CB-OE2 3.27Å; I219-E252 HydrophobicContact CG2-CB 3.8Å; I219-Q253 HydrophobicContact CD1-CB 3.84Å
220K95Very high93.8Very high169 Ų16957 Ų5774%0.73530%0.301SS*.  trans-70.788.5169.6-171.6176.9-179.3178.80110.9P250 E252K220-P250 WeakPolarHBondContact O-CB 3.46Å; K220-E252 PolarHBondContact N-OE2 2.71Å
221C97.1Very high94.2Very high8 Ų849.1 Ų49.15%0.05427%0.265CS..  trans-63.4159.6-178.4-64.80000113.5I195 E197 I219I195-C221 HydrophobicContact CG2-CB 4.23Å; I195-C221 WeakPolarHBondContact CG2-SG 3.35Å; E197-C221 HydrophobicContact CB-CB 4.12Å; I219-C221 VanDerWaalsContact C-N 3.33Å; I219-C221 PolarHBondContact O-N 2.92Å; I219-C221 PolarHBondContact O-SG 3.33Å; I219-C221 VanDerWaalsContact O-SG 3.39Å
222L98.2Very high94.7Very high17 Ų1746.7 Ų46.79%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-63.5154.3166.4-64.9172.4000109.6P193 I195 V196 E197 D226 I227 M248 P250P193-L222 HydrophobicContact CB-CD1 4.36Å; I195-L222 WeakPolarHBondContact O-CB 3.5Å; I195-L222 PolarHBondContact O-N 2.9Å; V196-L222 CarbonylContact C-O 3.54Å; V196-L222 WeakPolarHBondContact CA-O 3.32Å; V196-L222 HydrophobicContact CB-CB 4.4Å; V196-L222 HydrophobicContact CG1-CB 4.28Å; V196-L222 HydrophobicContact CG2-CB 4.09Å; V196-L222 HydrophobicContact CG2-CD1 4.3Å; E197-L222 PolarHBondContact N-O 2.82Å; L222-D226 HydrophobicContact CD2-CB 4.35Å; L222-I227 HydrophobicContact CD1-CD1 4.18Å; L222-M248 HydrophobicContact CD1-CE 4.17Å; L222-M248 HydrophobicContact CD1-CG 4.05Å; L222-M248 HydrophobicContact CD2-CE 4.13Å; L222-P250 HydrophobicContact CG-CG 4.11Å
223K98.3Very high95.2Very high82 Ų8253.3 Ų53.336%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-104.4157.8171.5-56-59-171.7176.60110.2E197 Q225 D226E197-K223 HydrophobicContact CB-CD 4.34Å; E197-K223 IonicContact OE1-NZ 3.75Å; E197-K223 PolarHBondContact OE1-NZ 2.89Å; E197-K223 VanDerWaalsContact OE1-NZ 3.08Å; E197-K223 IonicContact OE2-NZ 2.99Å; E197-K223 PolarHBondContact OE2-NZ 3.39Å; K223-Q225 PolarHBondContact O-N 2.87Å; K223-Q225 VanDerWaalsContact O-N 3.12Å; K223-D226 PolarHBondContact N-OD2 3.35Å; K223-D226 WeakPolarHBondContact O-CB 3.14Å; K223-D226 PolarHBondContact O-N 3.25Å
224A98.4Very high95.7Very high9 Ų952.1 Ų52.17%0.07427%0.272CS..Hα-helixtrans-55.6-31.5176.500000112.8I18 A21 T198 D226 I227 A228I18-A224 HydrophobicContact CG1-CB 4.43Å; A21-A224 HydrophobicContact CB-CB 3.64Å; T198-A224 HydrophobicContact CG2-CB 4.49Å; A224-D226 VanDerWaalsContact C-N 3.32Å; A224-D226 PolarHBondContact O-N 2.86Å; A224-I227 PolarHBondContact O-N 3.03Å; A224-A228 PolarHBondContact O-N 2.99Å
225Q98.6Very high96.1Very high103 Ų10349.8 Ų49.848%0.48125%0.253SS..Hα-helixtrans-66.6-30.3176.6-66.478.32.200112.9K223 I227 A228 S229K223-Q225 PolarHBondContact O-N 2.87Å; K223-Q225 VanDerWaalsContact O-N 3.12Å; Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 PolarHBondContact O-N 3.45Å; Q225-A228 PolarHBondContact O-N 2.85Å; Q225-S229 WeakPolarHBondContact O-CB 3.08Å; Q225-S229 PolarHBondContact O-N 3.32Å; Q225-S229 PolarHBondContact O-OG 3.43Å
226D98.7Very high96.6Very high63 Ų6349.6 Ų49.634%0.33726%0.26SS..Hα-helixtrans-66.7-38.5176.3-56.4-35.6000109.8L222 K223 A224 S229 A230 M248L222-D226 HydrophobicContact CD2-CB 4.35Å; K223-D226 PolarHBondContact N-OD2 3.35Å; K223-D226 WeakPolarHBondContact O-CB 3.14Å; K223-D226 PolarHBondContact O-N 3.25Å; A224-D226 VanDerWaalsContact C-N 3.32Å; A224-D226 PolarHBondContact O-N 2.86Å; D226-S229 WeakPolarHBondContact O-CB 3.49Å; D226-S229 PolarHBondContact O-N 3.1Å; D226-A230 PolarHBondContact O-N 3.34Å; D226-M248 HydrophobicContact CB-CE 3.95Å
227I98.8Very high97Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-70.4-40.6176.5-46.4-47.5000110.9I18 I144 I191 P193 V196 L222 A224 Q225 S229 A230 V231 M248I18-I227 HydrophobicContact CD1-CG1 4Å; I18-I227 HydrophobicContact CD1-CG2 4.43Å; I18-I227 HydrophobicContact CG1-CB 4.27Å; I18-I227 HydrophobicContact CG1-CG1 3.98Å; I18-I227 HydrophobicContact CG2-CB 3.9Å; I18-I227 HydrophobicContact CG2-CG2 3.55Å; I144-I227 HydrophobicContact CD1-CG2 4.42Å; I191-I227 HydrophobicContact CG2-CG2 4.06Å; P193-I227 HydrophobicContact CB-CD1 3.59Å; P193-I227 HydrophobicContact CB-CG1 4.46Å; P193-I227 HydrophobicContact CG-CD1 4.34Å; V196-I227 HydrophobicContact CG1-CG1 4.18Å; V196-I227 HydrophobicContact CG2-CD1 4Å; V196-I227 HydrophobicContact CG2-CG1 4.08Å; L222-I227 HydrophobicContact CD1-CD1 4.18Å; A224-I227 PolarHBondContact O-N 3.03Å; Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 PolarHBondContact O-N 3.45Å; I227-S229 PolarHBondContact O-N 2.87Å; I227-A230 WeakPolarHBondContact O-CB 3.38Å; I227-A230 PolarHBondContact O-N 3.34Å; I227-A230 VanDerWaalsContact O-N 3.16Å; I227-V231 WeakPolarHBondContact O-CG2 3.48Å; I227-V231 PolarHBondContact O-N 3.15Å; I227-M248 HydrophobicContact CD1-CE 3.94Å; I227-M248 HydrophobicContact CD1-CG 4.28Å; I227-M248 HydrophobicContact CD1-SD 3.53Å; I227-M248 VanDerWaalsContact CD1-SD 3.53Å
228A98.8Very high97.4Very high6 Ų644.7 Ų44.75%0.0524%0.244CC..Hα-helixtrans-60.9-35.517300000112.3A21 V22 A25 A224 Q225 V231 T232A21-A228 HydrophobicContact CB-CB 4.18Å; V22-A228 HydrophobicContact CG2-CB 4.13Å; A25-A228 HydrophobicContact CB-CB 4.03Å; A224-A228 PolarHBondContact O-N 2.99Å; Q225-A228 PolarHBondContact O-N 2.85Å; A228-V231 PolarHBondContact O-N 3.39Å; A228-T232 WeakPolarHBondContact O-CG2 3.41Å; A228-T232 PolarHBondContact O-N 3.3Å; A228-T232 PolarHBondContact O-OG1 3.39Å
229S98.8Very high98Very high72 Ų7244.2 Ų44.250%0.50324%0.239SC..Hα-helixtrans-66.2-40.1174.2-58.10000111.7Q225 D226 I227 T232 Y233Q225-S229 WeakPolarHBondContact O-CB 3.08Å; Q225-S229 PolarHBondContact O-N 3.32Å; Q225-S229 PolarHBondContact O-OG 3.43Å; D226-S229 WeakPolarHBondContact O-CB 3.49Å; D226-S229 PolarHBondContact O-N 3.1Å; I227-S229 PolarHBondContact O-N 2.87Å; S229-T232 WeakPolarHBondContact CA-OG1 3.49Å; S229-T232 PolarHBondContact O-N 2.98Å; S229-T232 PolarHBondContact O-OG1 3.31Å; S229-Y233 WeakPolarHBondContact O-CB 3.28Å; S229-Y233 PolarHBondContact O-N 3.41Å
230A98.9Very high98.3Very high10 Ų1050.5 Ų50.58%0.08327%0.267CS..Hα-helixtrans-63.5-42.9173.400000112.3I191 D226 I227 Y233 V234 V246 M248I191-A230 HydrophobicContact CD1-CB 4.3Å; I191-A230 HydrophobicContact CG2-CB 4.14Å; D226-A230 PolarHBondContact O-N 3.34Å; I227-A230 WeakPolarHBondContact O-CB 3.38Å; I227-A230 PolarHBondContact O-N 3.34Å; I227-A230 VanDerWaalsContact O-N 3.16Å; A230-Y233 WeakPolarHBondContact O-CB 3.39Å; A230-Y233 PolarHBondContact O-N 3.27Å; A230-V234 WeakPolarHBondContact O-CB 3.39Å; A230-V234 WeakPolarHBondContact O-CG2 3.45Å; A230-V234 PolarHBondContact O-N 3.25Å; A230-V246 HydrophobicContact CB-CG1 4.39Å; A230-M248 HydrophobicContact CB-SD 3.98Å
231V98.9Very high98.5Very high1 Ų144.4 Ų44.41%0.00625%0.245CC..Hα-helixtrans-61.6-45.6176.5170.30000111.4V22 I90 I142 I144 I191 I227 A228 V234 L235V22-V231 HydrophobicContact CG1-CG1 4.03Å; V22-V231 HydrophobicContact CG2-CB 4.47Å; V22-V231 HydrophobicContact CG2-CG2 4.04Å; I90-V231 HydrophobicContact CD1-CG1 4.06Å; I142-V231 HydrophobicContact CD1-CG1 4.2Å; I144-V231 HydrophobicContact CD1-CG2 4.24Å; I191-V231 HydrophobicContact CG1-CG2 4.16Å; I227-V231 WeakPolarHBondContact O-CG2 3.48Å; I227-V231 PolarHBondContact O-N 3.15Å; A228-V231 PolarHBondContact O-N 3.39Å; V231-V234 PolarHBondContact O-N 3.36Å; V231-L235 HydrophobicContact CG1-CD1 3.9Å; V231-L235 WeakPolarHBondContact O-CB 3.32Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 2.79Å
232T98.8Very high98.6Very high25 Ų2547.7 Ų47.715%0.15326%0.259CS..Hα-helixtrans-68.9-35.2178.952.10000112.5A25 A228 S229 G236A25-T232 HydrophobicContact CB-CG2 4.08Å; A228-T232 WeakPolarHBondContact O-CG2 3.41Å; A228-T232 PolarHBondContact O-N 3.3Å; A228-T232 PolarHBondContact O-OG1 3.39Å; S229-T232 WeakPolarHBondContact CA-OG1 3.49Å; S229-T232 PolarHBondContact O-N 2.98Å; S229-T232 PolarHBondContact O-OG1 3.31Å; T232-G236 WeakPolarHBondContact O-CA 3.44Å; T232-G236 PolarHBondContact O-N 3.4Å
233Y98.8Very high98.6Very high139 Ų13948.4 Ų48.455%0.54526%0.263SS..Hα-helixtrans-58-52.8169.3164.5-104.5000111.2S229 A230 L235 G236 T237S229-Y233 WeakPolarHBondContact O-CB 3.28Å; S229-Y233 PolarHBondContact O-N 3.41Å; A230-Y233 WeakPolarHBondContact O-CB 3.39Å; A230-Y233 PolarHBondContact O-N 3.27Å; Y233-L235 PolarHBondContact O-N 3.26Å; Y233-G236 WeakPolarHBondContact O-CA 3.21Å; Y233-G236 PolarHBondContact O-N 3.02Å; Y233-T237 PolarHBondContact O-N 3.33Å
234V98.9Very high98.6Very high0 Ų046.3 Ų46.30%027%0.265CS..Hα-helixtrans-58.8-45179.7162.30000111.7H140 I142 R187 T189 I191 A230 V231 G236 T237 I243 V246H140-V234 WeakPolarHBondContact CE1-CG1 3.2Å; I142-V234 HydrophobicContact CD1-CG1 3.81Å; I142-V234 HydrophobicContact CG1-CG1 4.47Å; R187-V234 PolarHBondContact NH2-O 2.91Å; T189-V234 HydrophobicContact CG2-CG1 3.81Å; T189-V234 HydrophobicContact CG2-CG2 4.09Å; T189-V234 WeakPolarHBondContact OG1-CG1 3.33Å; I191-V234 HydrophobicContact CD1-CG2 3.89Å; A230-V234 WeakPolarHBondContact O-CB 3.39Å; A230-V234 WeakPolarHBondContact O-CG2 3.45Å; A230-V234 PolarHBondContact O-N 3.25Å; V231-V234 PolarHBondContact O-N 3.36Å; V234-G236 VanDerWaalsContact C-N 3.31Å; V234-G236 PolarHBondContact O-N 2.95Å; V234-T237 PolarHBondContact O-OG1 3.34Å; V234-I243 HydrophobicContact CG2-CB 4.15Å; V234-I243 HydrophobicContact CG2-CG1 4.33Å; V234-I243 HydrophobicContact CG2-CG2 4.06Å; V234-V246 HydrophobicContact CG2-CG2 3.87Å
235L98.8Very high98.6Very high0 Ų048.2 Ų48.20%027%0.274CS..Hα-helixtrans-67.9-32175.5-72.7169.4000112.7M1 W4 L26 V88 H140 I142 V231 Y233 T237M1-L235 HydrophobicContact CE-CB 4.23Å; M1-L235 HydrophobicContact CE-CD1 4.31Å; M1-L235 HydrophobicContact SD-CB 3.64Å; W4-L235 HydrophobicContact CH2-CD2 4.49Å; W4-L235 HydrophobicContact CZ2-CD2 3.76Å; W4-L235 PolarHBondContact NE1-O 3.25Å; L26-L235 HydrophobicContact CD2-CD1 3.53Å; V88-L235 HydrophobicContact CG1-CD1 4.34Å; V88-L235 HydrophobicContact CG1-CD2 3.92Å; V88-L235 HydrophobicContact CG2-CD2 3.96Å; H140-L235 HydrophobicContact CB-CD2 3.9Å; I142-L235 HydrophobicContact CD1-CD1 4.43Å; I142-L235 HydrophobicContact CD1-CD2 4.01Å; I142-L235 HydrophobicContact CD1-CG 3.9Å; V231-L235 HydrophobicContact CG1-CD1 3.9Å; V231-L235 WeakPolarHBondContact O-CB 3.32Å; V231-L235 WeakPolarHBondContact O-CG 3.39Å; V231-L235 PolarHBondContact O-N 2.79Å; Y233-L235 PolarHBondContact O-N 3.26Å; L235-T237 VanDerWaalsContact C-N 3.32Å; L235-T237 PolarHBondContact O-N 3.41Å
236G98.6Very high98.6Very high39 Ų3944.9 Ų44.940%0.40226%0.26SS..Hα-helixtrans-72.9-18.3-178.700000114.9T232 Y233 V234T232-G236 WeakPolarHBondContact O-CA 3.44Å; T232-G236 PolarHBondContact O-N 3.4Å; Y233-G236 WeakPolarHBondContact O-CA 3.21Å; Y233-G236 PolarHBondContact O-N 3.02Å; V234-G236 VanDerWaalsContact C-N 3.31Å; V234-G236 PolarHBondContact O-N 2.95Å
237T98.7Very high98.6Very high13 Ų1346.5 Ų46.58%0.0827%0.266CS..SBendtrans-61.3148.9176.557.90000112.6R187 Y233 V234 L235 V241 I243R187-T237 PolarHBondContact NH1-OG1 3.08Å; Y233-T237 PolarHBondContact O-N 3.33Å; V234-T237 PolarHBondContact O-OG1 3.34Å; L235-T237 VanDerWaalsContact C-N 3.32Å; L235-T237 PolarHBondContact O-N 3.41Å; T237-V241 HydrophobicContact CG2-CG1 4.24Å; T237-I243 HydrophobicContact CG2-CD1 4.36Å; T237-I243 HydrophobicContact CG2-CG1 4.08Å
238P98.3Very high98.6Very high67 Ų6748.3 Ų48.344%0.43528%0.275SS..  trans-55.4151.4174.6-25.734.9000112.6R187 H240 V241R187-P238 PolarHBondContact NH1-O 2.67Å; P238-H240 VanDerWaalsContact CB-CE1 3.46Å; P238-H240 WeakPolarHBondContact CB-CE1 3.4Å; P238-H240 PolarHBondContact O-N 3.1Å; P238-H240 VanDerWaalsContact O-N 3.08Å; P238-V241 HydrophobicContact CB-CG2 4.38Å; P238-V241 HydrophobicContact CG-CG2 4.46Å; P238-V241 WeakPolarHBondContact O-CB 3.48Å; P238-V241 PolarHBondContact O-N 3.27Å
239P97.2Very high98.5Very high73 Ų7352.4 Ų52.447%0.47429%0.289SS..THydrogen-bonded Turntrans-56.7-28.5-175.7-28.235.7000115.7V241P239-V241 VanDerWaalsContact C-N 3.26Å; P239-V241 PolarHBondContact O-N 3.02Å
240H98Very high98.4Very high164 Ų16449.3 Ų49.376%0.75927%0.267SS*.THydrogen-bonded Turntrans-77.7-8.1178.268.1-93.6000113.9P238P238-H240 VanDerWaalsContact CB-CE1 3.46Å; P238-H240 WeakPolarHBondContact CB-CE1 3.4Å; P238-H240 PolarHBondContact O-N 3.1Å; P238-H240 VanDerWaalsContact O-N 3.08Å
241V98.7Very high98.3Very high42 Ų4256.1 Ų56.126%0.25531%0.307SS..  trans-97.3124.5178.9179.30000109.1R187 T237 P238 P239 I243R187-V241 WeakPolarHBondContact CD-O 3.31Å; R187-V241 PolarHBondContact NH1-O 2.85Å; T237-V241 HydrophobicContact CG2-CG1 4.24Å; P238-V241 HydrophobicContact CB-CG2 4.38Å; P238-V241 HydrophobicContact CG-CG2 4.46Å; P238-V241 WeakPolarHBondContact O-CB 3.48Å; P238-V241 PolarHBondContact O-N 3.27Å; P239-V241 VanDerWaalsContact C-N 3.26Å; P239-V241 PolarHBondContact O-N 3.02Å; V241-I243 HydrophobicContact CG1-CD1 3.85Å; V241-I243 HydrophobicContact CG1-CG1 4.37Å
242Q98.6Very high98.1Very high76 Ų7661.3 Ų61.336%0.35533%0.331SS..  trans-115.3108.3171.2178.9164.8-110.400109.2R187 G244R187-Q242 HydrophobicContact CB-CG 4.49Å; Q242-G244 PolarHBondContact O-N 3.35Å
243I98.8Very high97.7Very high32 Ų3261.4 Ų61.416%0.16433%0.33CS..  trans-78.1118.3171.4-55.7-58.5000107.1T189 V234 T237 V241 V246T189-I243 WeakPolarHBondContact CB-O 3.45Å; T189-I243 HydrophobicContact CG2-CB 4.42Å; T189-I243 HydrophobicContact CG2-CG2 4.34Å; T189-I243 VanDerWaalsContact CG2-O 3.3Å; T189-I243 WeakPolarHBondContact CG2-O 3.24Å; T189-I243 PolarHBondContact OG1-O 3.45Å; V234-I243 HydrophobicContact CG2-CB 4.15Å; V234-I243 HydrophobicContact CG2-CG1 4.33Å; V234-I243 HydrophobicContact CG2-CG2 4.06Å; T237-I243 HydrophobicContact CG2-CD1 4.36Å; T237-I243 HydrophobicContact CG2-CG1 4.08Å; V241-I243 HydrophobicContact CG1-CD1 3.85Å; V241-I243 HydrophobicContact CG1-CG1 4.37Å; I243-V246 HydrophobicContact CG2-CG2 3.73Å
244G98.8Very high96.8Very high39 Ų3962.1 Ų62.140%0.40235%0.349SS..  trans-74.1-50.4179.500000112.5C190 Q242C190-G244 PolarHBondContact N-O 3.01Å; C190-G244 PolarHBondContact SG-O 3.32Å; Q242-G244 PolarHBondContact O-N 3.35Å
245D98.9Very high95.2Very high49 Ų4965.2 Ų65.226%0.26237%0.37SS..EExtended strand (participates in β ladder)trans-146.2147.7-177-171.213.7000110.6H150 C190 S192 Q247H150-D245 IonicContact CE1-OD2 2.89Å; H150-D245 PolarHBondContact CE1-OD2 2.79Å; H150-D245 IonicContact NE2-OD2 3.62Å; H150-D245 PolarHBondContact NE2-OD2 3.35Å; C190-D245 VanDerWaalsContact O-CA 3.31Å; C190-D245 WeakPolarHBondContact O-CA 3.3Å; C190-D245 PolarHBondContact SG-OD1 2.98Å; S192-D245 WeakPolarHBondContact CB-OD1 3.15Å; S192-D245 PolarHBondContact OG-OD1 3.33Å; S192-D245 PolarHBondContact OG-OD2 3.02Å; D245-Q247 WeakPolarHBondContact OD2-CG 3.48Å; D245-Q247 PolarHBondContact OD2-NE2 2.92Å
246V98.8Very high95.1Very high32 Ų3268.5 Ų68.519%0.19439%0.389CS..EExtended strand (participates in β ladder)trans-122.299.3167.4-178.60000107.9C190 I191 S192 A230 V234 I243C190-V246 PolarHBondContact O-N 3.47Å; C190-V246 VanDerWaalsContact O-N 3.09Å; I191-V246 HydrophobicContact CD1-CB 3.92Å; I191-V246 HydrophobicContact CD1-CG2 3.9Å; S192-V246 PolarHBondContact N-O 2.97Å; A230-V246 HydrophobicContact CB-CG1 4.39Å; V234-V246 HydrophobicContact CG2-CG2 3.87Å; I243-V246 HydrophobicContact CG2-CG2 3.73Å
247Q98.6Very high94.9Very high98 Ų9870.1 Ų70.146%0.45839%0.388SS..EExtended strand (participates in β ladder)trans-84.9122.4172.2-63-175.921.400109.8M147 S192 D245M147-Q247 HydrophobicContact SD-CB 3.91Å; M147-Q247 HydrophobicContact SD-CG 4.22Å; S192-Q247 WeakPolarHBondContact O-CA 3.42Å; D245-Q247 WeakPolarHBondContact OD2-CG 3.48Å; D245-Q247 PolarHBondContact OD2-NE2 2.92Å
248M97.8Very high94.7Very high38 Ų3873.2 Ų73.219%0.18741%0.405CS..EExtended strand (participates in β ladder)trans-140.2144.3-178.663.5-173.6-58.900111.2I191 S192 P193 G194 L222 D226 I227 A230I191-M248 HydrophobicContact CG2-SD 4.39Å; S192-M248 PolarHBondContact O-N 3.15Å; S192-M248 VanDerWaalsContact O-N 3.11Å; P193-M248 CarbonylContact C-O 2.91Å; P193-M248 WeakPolarHBondContact CA-O 3.5Å; P193-M248 HydrophobicContact CB-CG 4.3Å; G194-M248 PolarHBondContact N-O 3.18Å; L222-M248 HydrophobicContact CD1-CE 4.17Å; L222-M248 HydrophobicContact CD1-CG 4.05Å; L222-M248 HydrophobicContact CD2-CE 4.13Å; D226-M248 HydrophobicContact CB-CE 3.95Å; I227-M248 HydrophobicContact CD1-CE 3.94Å; I227-M248 HydrophobicContact CD1-CG 4.28Å; I227-M248 HydrophobicContact CD1-SD 3.53Å; I227-M248 VanDerWaalsContact CD1-SD 3.53Å; A230-M248 HydrophobicContact CB-SD 3.98Å
249R97.3Very high94.5Very high92 Ų9273.6 Ų73.635%0.34740%0.403SS..  trans-140.1156.4-177.2-66.2175.9-175.382.3-20.9110.1M147 Q253 S255M147-R249 HydrophobicContact CG-CG 3.81Å; M147-R249 HydrophobicContact SD-CG 4.2Å; M147-R249 PolarHBondContact SD-NH1 2.86Å; M147-R249 VanDerWaalsContact SD-NH1 3.37Å; R249-Q253 HydrophobicContact CB-CB 4.35Å; R249-S255 WeakPolarHBondContact CD-OXT 3.43Å; R249-S255 PolarHBondContact NE-OXT 3.04Å
250P97.4Very high94.3Very high6 Ų673.6 Ų73.64%0.03940%0.399CS..  trans-49.3141.6155-2233.7000110.5I195 I219 K220 L222 E252 Q253I195-P250 HydrophobicContact CB-CG 4.29Å; I195-P250 WeakPolarHBondContact O-CG 3.38Å; I219-P250 HydrophobicContact CD1-CB 3.83Å; I219-P250 HydrophobicContact CD1-CG 3.93Å; K220-P250 WeakPolarHBondContact O-CB 3.46Å; L222-P250 HydrophobicContact CG-CG 4.11Å; P250-E252 PolarHBondContact O-N 2.71Å; P250-Q253 HydrophobicContact CB-CB 3.87Å; P250-Q253 HydrophobicContact CG-CB 4.01Å; P250-Q253 WeakPolarHBondContact O-CB 3.23Å; P250-Q253 PolarHBondContact O-N 2.85Å
251V96.8Very high94Very high154 Ų15467.6 Ų67.693%0.93338%0.375SS*.THydrogen-bonded Turntrans-60.4-32.9179175.70000111.7Q253V251-Q253 VanDerWaalsContact C-N 3.33Å
252E94.3Very high93.7Very high109 Ų10969.4 Ų69.451%0.50938%0.384SS..THydrogen-bonded Turntrans-83.6-8.4-179.3-67.1164.7-169.200113I219 K220 P250 V254I219-E252 VanDerWaalsContact CA-OE2 3.29Å; I219-E252 WeakPolarHBondContact CA-OE2 3.46Å; I219-E252 HydrophobicContact CB-CB 3.9Å; I219-E252 WeakPolarHBondContact CB-OE2 3.27Å; I219-E252 HydrophobicContact CG2-CB 3.8Å; K220-E252 PolarHBondContact N-OE2 2.71Å; P250-E252 PolarHBondContact O-N 2.71Å; E252-V254 PolarHBondContact O-N 3.14Å; E252-V254 VanDerWaalsContact O-N 3.1Å
253Q89.8Confident93.3Very high28 Ų2868.9 Ų68.913%0.13139%0.386CS..  trans-76.9102178.61771681.400109.7R151 I219 R249 P250 V251 S255R151-Q253 VanDerWaalsContact NH2-NE2 3.19Å; I219-Q253 HydrophobicContact CD1-CB 3.84Å; R249-Q253 HydrophobicContact CB-CB 4.35Å; P250-Q253 HydrophobicContact CB-CB 3.87Å; P250-Q253 HydrophobicContact CG-CB 4.01Å; P250-Q253 WeakPolarHBondContact O-CB 3.23Å; P250-Q253 PolarHBondContact O-N 2.85Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; Q253-S255 VanDerWaalsContact C-N 3.26Å; Q253-S255 WeakPolarHBondContact CG-O 3.39Å; Q253-S255 PolarHBondContact NE2-O 3.47Å; Q253-S255 PolarHBondContact O-N 3.5Å
254V79.4Confident92.9Very high154 Ų15472 Ų7293%0.93340%0.404SS*.  trans-59.7-34.2-174.9178.50000113.4E252E252-V254 PolarHBondContact O-N 3.14Å; E252-V254 VanDerWaalsContact O-N 3.1Å
255S66.8Low92.3Very high65 Ų6575 Ų7546%0.45540%0.404SS..  trans-1310179.472.40000108.1R151 R249 Q253R151-S255 PolarHBondContact NE-OXT 3.1Å; R151-S255 PolarHBondContact NH1-O 2.92Å; R151-S255 PolarHBondContact NH1-OG 3.44Å; R151-S255 PolarHBondContact NH1-OXT 3.08Å; R151-S255 PolarHBondContact NH2-O 3.19Å; R151-S255 PolarHBondContact NH2-OXT 2.85Å; R249-S255 WeakPolarHBondContact CD-OXT 3.43Å; R249-S255 PolarHBondContact NE-OXT 3.04Å; Q253-S255 VanDerWaalsContact C-N 3.26Å; Q253-S255 WeakPolarHBondContact CG-O 3.39Å; Q253-S255 PolarHBondContact NE2-O 3.47Å; Q253-S255 PolarHBondContact O-N 3.5Å

Retrieved 255 of 255 residues in 916.5 ms (Link to these results)

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