A0A077ZAL6_TRITR Loading...

tryptophan synthase

AlphaFold DB , UniProt , Accession A0A077ZAL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M97.5Very high97.7Very high35 Ų3538.7 Ų38.717%0.17219%0.192CC..  0113.10177.260.571.600106.4G3 A4 P30 I41 A44 A48M1-G3 PolarHBondContact O-N 2.85Å; M1-A4 HydrophobicContact CB-CB 4.07Å; M1-A4 HydrophobicContact CG-CB 4.03Å; M1-A4 PolarHBondContact O-N 3.21Å; M1-P30 HydrophobicContact SD-CB 4.03Å; M1-I41 HydrophobicContact CE-CG2 3.84Å; M1-A44 HydrophobicContact CB-CB 3.69Å; M1-A44 HydrophobicContact CG-CB 4Å; M1-A48 HydrophobicContact CG-CB 4.23Å
2A97.8Very high97.7Very high1 Ų142.6 Ų42.61%0.00821%0.209CC..THydrogen-bonded Turntrans-61.9131.6-173.300000111.1A4 L10 G28 L58A2-A4 PolarHBondContact O-N 3.4Å; A2-L10 HydrophobicContact CB-CD1 4.48Å; A2-G28 WeakPolarHBondContact CB-O 3.44Å; A2-G28 PolarHBondContact N-O 3.06Å; A2-L58 HydrophobicContact CB-CD1 3.64Å; A2-L58 HydrophobicContact CB-CD2 3.73Å; A2-L58 HydrophobicContact CB-CG 4.29Å
3G97.6Very high97.8Very high0 Ų040.4 Ų40.40%020%0.198CC..THydrogen-bonded Turntrans69.112.1176.200000115.7M1 Q5 G6M1-G3 PolarHBondContact O-N 2.85Å; G3-Q5 PolarHBondContact O-N 3.13Å; G3-G6 PolarHBondContact O-N 2.59Å
4A98Very high97.8Very high5 Ų537.7 Ų37.74%0.04119%0.185CC..THydrogen-bonded Turntrans-64.4-21.1173.300000113.2M1 A2 A44 R47 A48M1-A4 HydrophobicContact CB-CB 4.07Å; M1-A4 HydrophobicContact CG-CB 4.03Å; M1-A4 PolarHBondContact O-N 3.21Å; A2-A4 PolarHBondContact O-N 3.4Å; A4-A44 HydrophobicContact CB-CB 4.14Å; A4-A44 WeakPolarHBondContact CB-O 3.41Å; A4-R47 HydrophobicContact CB-CB 4.42Å; A4-R47 PolarHBondContact O-NH1 3.47Å; A4-A48 HydrophobicContact CB-CB 4.39Å
5Q97.6Very high97.8Very high48 Ų4838.2 Ų38.222%0.22420%0.197CC..THydrogen-bonded Turntrans-107.54.7172.2-75.570.815.300112.4G3 K9 E13G3-Q5 PolarHBondContact O-N 3.13Å; Q5-K9 HydrophobicContact CB-CB 4.29Å; Q5-E13 WeakPolarHBondContact CB-OE1 3.22Å; Q5-E13 WeakPolarHBondContact CG-OE1 3.44Å; Q5-E13 PolarHBondContact OE1-OE1 3.3Å
6G97.4Very high97.8Very high3 Ų336.8 Ų36.83%0.03119%0.19CC..  trans101142.7-165.900000112.1G3 D8 K9G3-G6 PolarHBondContact O-N 2.59Å; G6-D8 VanDerWaalsContact C-N 3.26Å; G6-D8 VanDerWaalsContact C-OD1 3.31Å; G6-D8 WeakPolarHBondContact CA-OD1 3.01Å; G6-D8 PolarHBondContact O-N 3.41Å; G6-K9 PolarHBondContact O-N 2.93Å
7L98.1Very high97.9Very high30 Ų3036.2 Ų36.216%0.15719%0.187CC..G310 helixtrans-72.7-20.6178.8-76.1175.2000112.8K9 L10 V53 K57 L58 K61L7-K9 PolarHBondContact O-N 3.41Å; L7-L10 HydrophobicContact CD2-CD2 4.07Å; L7-L10 VanDerWaalsContact O-CB 3.31Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 3.21Å; L7-V53 HydrophobicContact CD1-CG1 4.37Å; L7-V53 HydrophobicContact CD2-CG1 4.3Å; L7-V53 HydrophobicContact CG-CG1 4.44Å; L7-V53 HydrophobicContact CG-CG2 4.19Å; L7-K57 HydrophobicContact CD1-CB 3.75Å; L7-L58 HydrophobicContact CD2-CD1 4.11Å; L7-K61 HydrophobicContact CB-CG 4.5Å
8D97.2Very high97.8Very high123 Ų12336.6 Ų36.666%0.65819%0.191SC*.G310 helixtrans-63.5-24.1170.860.8-51.1000112.4G6G6-D8 VanDerWaalsContact C-N 3.26Å; G6-D8 VanDerWaalsContact C-OD1 3.31Å; G6-D8 WeakPolarHBondContact CA-OD1 3.01Å; G6-D8 PolarHBondContact O-N 3.41Å
9K97.4Very high97.8Very high82 Ų8241.1 Ų41.136%0.35722%0.215SC..G310 helixtrans-87.9-12.7175.5-66.3-63.3-177.2-1760114.7Q5 G6 L7 E11 E12 E13Q5-K9 HydrophobicContact CB-CB 4.29Å; G6-K9 PolarHBondContact O-N 2.93Å; L7-K9 PolarHBondContact O-N 3.41Å; K9-E11 VanDerWaalsContact C-N 3.34Å; K9-E11 PolarHBondContact O-N 2.95Å; K9-E12 WeakPolarHBondContact CD-OE2 3.24Å; K9-E12 IonicContact NZ-OE2 3.45Å; K9-E12 PolarHBondContact NZ-OE2 3.4Å; K9-E12 WeakPolarHBondContact O-CB 3.31Å; K9-E12 PolarHBondContact O-N 2.76Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 3.32Å
10L98.1Very high97.7Very high1 Ų141.1 Ų41.11%0.00521%0.214CC..Hα-helixtrans-60.2-41.4-171.5-177.961000113A2 L7 E13 I14 L27 L58 K61 L62 I65A2-L10 HydrophobicContact CB-CD1 4.48Å; L7-L10 HydrophobicContact CD2-CD2 4.07Å; L7-L10 VanDerWaalsContact O-CB 3.31Å; L7-L10 WeakPolarHBondContact O-CB 3.36Å; L7-L10 PolarHBondContact O-N 3.21Å; L10-E13 PolarHBondContact O-N 3.33Å; L10-I14 HydrophobicContact CD1-CD1 4.02Å; L10-I14 HydrophobicContact CD1-CG1 4.28Å; L10-I14 HydrophobicContact CG-CD1 3.87Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.16Å; L10-L27 HydrophobicContact CD1-CD2 3.96Å; L10-L58 HydrophobicContact CD2-CD1 3.55Å; L10-K61 HydrophobicContact CD2-CG 4.21Å; L10-L62 HydrophobicContact CD2-CD2 4.26Å; L10-I65 HydrophobicContact CB-CD1 4.46Å; L10-I65 HydrophobicContact CD2-CD1 4.21Å; L10-I65 HydrophobicContact CG-CD1 4.19Å
11E98Very high97.6Very high98 Ų9842.1 Ų42.146%0.45824%0.235SC..Hα-helixtrans-65.6-43.4179.7-173.7174-172.100111.9K9 E13 I14 A15 I65K9-E11 VanDerWaalsContact C-N 3.34Å; K9-E11 PolarHBondContact O-N 2.95Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.17Å; E11-I14 PolarHBondContact O-N 3.27Å; E11-A15 WeakPolarHBondContact O-CB 3.29Å; E11-A15 PolarHBondContact O-N 3.15Å; E11-I65 HydrophobicContact CB-CD1 3.91Å; E11-I65 HydrophobicContact CB-CG1 4.04Å; E11-I65 HydrophobicContact CG-CG1 4.18Å; E11-I65 HydrophobicContact CG-CG2 4.35Å
12E97.9Very high97.6Very high85 Ų8542.1 Ų42.140%0.39724%0.24SC..Hα-helixtrans-61.2-43.4176.1-167.2-160.713200111.1K9 M16 T217K9-E12 WeakPolarHBondContact CD-OE2 3.24Å; K9-E12 IonicContact NZ-OE2 3.45Å; K9-E12 PolarHBondContact NZ-OE2 3.4Å; K9-E12 WeakPolarHBondContact O-CB 3.31Å; K9-E12 PolarHBondContact O-N 2.76Å; E12-M16 WeakPolarHBondContact O-CB 3.37Å; E12-M16 PolarHBondContact O-N 3.2Å; E12-T217 HydrophobicContact CG-CG2 4.11Å; E12-T217 WeakPolarHBondContact OE1-CB 3.42Å; E12-T217 PolarHBondContact OE1-OG1 2.62Å
13E98.4Very high97.5Very high14 Ų1446.4 Ų46.47%0.06528%0.276CS..Hα-helixtrans-65.4-42.9177.2-69.6176.1164.400112.2Q5 K9 L10 E11 M16 L17 L212 T217Q5-E13 WeakPolarHBondContact CB-OE1 3.22Å; Q5-E13 WeakPolarHBondContact CG-OE1 3.44Å; Q5-E13 PolarHBondContact OE1-OE1 3.3Å; K9-E13 WeakPolarHBondContact O-CG 3.35Å; K9-E13 PolarHBondContact O-N 3.32Å; L10-E13 PolarHBondContact O-N 3.33Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.17Å; E13-M16 PolarHBondContact O-N 3.27Å; E13-L17 WeakPolarHBondContact O-CG 3.17Å; E13-L17 PolarHBondContact O-N 3.31Å; E13-L212 HydrophobicContact CG-CD1 4.38Å; E13-L212 HydrophobicContact CG-CD2 4.08Å; E13-T217 HydrophobicContact CG-CG2 4.41Å
14I98.5Very high97.5Very high3 Ų348.2 Ų48.22%0.01529%0.291CS..Hα-helixtrans-63-49.7176.1-74169.6000110.3L10 E11 M16 L17 V18 I25 L27 I65 L71L10-I14 HydrophobicContact CD1-CD1 4.02Å; L10-I14 HydrophobicContact CD1-CG1 4.28Å; L10-I14 HydrophobicContact CG-CD1 3.87Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.37Å; L10-I14 PolarHBondContact O-N 3.16Å; E11-I14 PolarHBondContact O-N 3.27Å; I14-M16 VanDerWaalsContact C-N 3.28Å; I14-M16 PolarHBondContact O-N 2.85Å; I14-L17 WeakPolarHBondContact O-CB 3.36Å; I14-L17 PolarHBondContact O-N 3.44Å; I14-V18 PolarHBondContact O-N 3.04Å; I14-I25 HydrophobicContact CG2-CD1 3.91Å; I14-L27 HydrophobicContact CD1-CD1 4.18Å; I14-L27 HydrophobicContact CD1-CD2 4.39Å; I14-L27 HydrophobicContact CG1-CD2 4.35Å; I14-I65 HydrophobicContact CD1-CD1 4.41Å; I14-I65 HydrophobicContact CD1-CG2 4.39Å; I14-L71 HydrophobicContact CD1-CD1 4.45Å; I14-L71 HydrophobicContact CD1-CD2 4.37Å; I14-L71 HydrophobicContact CG2-CD2 4.48Å
15A98.1Very high97.5Very high45 Ų4548.3 Ų48.337%0.37229%0.29SS..Hα-helixtrans-57.9-43.4179.800000111.3E11 L17 V18 D19E11-A15 WeakPolarHBondContact O-CB 3.29Å; E11-A15 PolarHBondContact O-N 3.15Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.94Å; A15-V18 PolarHBondContact O-N 3.29Å; A15-D19 PolarHBondContact O-N 2.99Å
16M98Very high97.5Very high15 Ų1548.4 Ų48.47%0.07429%0.291CS..Hα-helixtrans-58-43.4175.1176.9-81.1-63.900112.2E12 E13 I14 V18 D19 Q20 L212 T217 T220 G221 L224E12-M16 WeakPolarHBondContact O-CB 3.37Å; E12-M16 PolarHBondContact O-N 3.2Å; E13-M16 PolarHBondContact O-N 3.27Å; I14-M16 VanDerWaalsContact C-N 3.28Å; I14-M16 PolarHBondContact O-N 2.85Å; M16-V18 VanDerWaalsContact C-N 3.34Å; M16-V18 PolarHBondContact O-N 3.22Å; M16-D19 PolarHBondContact O-N 2.99Å; M16-Q20 WeakPolarHBondContact O-CG 3.46Å; M16-Q20 PolarHBondContact O-N 3.38Å; M16-Q20 VanDerWaalsContact O-N 3.1Å; M16-Q20 HydrophobicContact SD-CG 4.23Å; M16-L212 HydrophobicContact CE-CD2 4.18Å; M16-T217 HydrophobicContact CB-CG2 3.61Å; M16-T217 HydrophobicContact CE-CG2 4.27Å; M16-T217 HydrophobicContact CG-CG2 3.92Å; M16-T220 HydrophobicContact CE-CG2 3.84Å; M16-G221 VanDerWaalsContact SD-CA 3.53Å; M16-L224 HydrophobicContact CE-CD1 4.46Å; M16-L224 HydrophobicContact SD-CD1 3.91Å
17L98.1Very high97.6Very high27 Ų2748.8 Ų48.814%0.14129%0.292CS..Hα-helixtrans-65.2-38.7178-66.2174.1000112.1E13 I14 A15 Q20 G21 A22 I25 I208 L224E13-L17 WeakPolarHBondContact O-CG 3.17Å; E13-L17 PolarHBondContact O-N 3.31Å; I14-L17 WeakPolarHBondContact O-CB 3.36Å; I14-L17 PolarHBondContact O-N 3.44Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.94Å; L17-Q20 PolarHBondContact O-N 3Å; L17-G21 PolarHBondContact O-N 3.19Å; L17-A22 HydrophobicContact CB-CB 4.22Å; L17-A22 VanDerWaalsContact O-CB 3.22Å; L17-A22 WeakPolarHBondContact O-CB 3.21Å; L17-A22 PolarHBondContact O-N 3.07Å; L17-I25 HydrophobicContact CB-CD1 3.78Å; L17-I25 HydrophobicContact CB-CG1 4.11Å; L17-I25 HydrophobicContact CD1-CD1 4.29Å; L17-I25 HydrophobicContact CD1-CG1 4.21Å; L17-I25 HydrophobicContact CD1-CG2 3.74Å; L17-I208 HydrophobicContact CD2-CD1 3.77Å; L17-I208 HydrophobicContact CD2-CG2 4.25Å; L17-L224 HydrophobicContact CD2-CD1 3.63Å
18V97.4Very high97.6Very high43 Ų4348 Ų4826%0.26129%0.292SS..Hα-helixtrans-65-43.6175.3174.60000111.3I14 A15 M16 Q20 G21 I25 S67 A69I14-V18 PolarHBondContact O-N 3.04Å; A15-V18 PolarHBondContact O-N 3.29Å; M16-V18 VanDerWaalsContact C-N 3.34Å; M16-V18 PolarHBondContact O-N 3.22Å; V18-Q20 PolarHBondContact O-N 3.36Å; V18-G21 WeakPolarHBondContact O-CA 3.36Å; V18-G21 PolarHBondContact O-N 3.01Å; V18-I25 HydrophobicContact CG2-CD1 3.71Å; V18-S67 WeakPolarHBondContact CG2-O 3.21Å; V18-A69 HydrophobicContact CG2-CB 3.7Å
19D97Very high97.6Very high122 Ų12242.4 Ų42.465%0.65226%0.262SS*.Hα-helixtrans-61.9-28.5176.5-75.1-15.2000112.7A15 M16 G21A15-D19 PolarHBondContact O-N 2.99Å; M16-D19 PolarHBondContact O-N 2.99Å; D19-G21 VanDerWaalsContact C-N 3.28Å
20Q96.4Very high97.6Very high42 Ų4238.9 Ų38.920%0.19625%0.247CC..THydrogen-bonded Turntrans-83.71172.7-59.3-42.5-50.200113.9M16 L17 V18 L224 L228M16-Q20 WeakPolarHBondContact O-CG 3.46Å; M16-Q20 PolarHBondContact O-N 3.38Å; M16-Q20 VanDerWaalsContact O-N 3.1Å; M16-Q20 HydrophobicContact SD-CG 4.23Å; L17-Q20 PolarHBondContact O-N 3Å; V18-Q20 PolarHBondContact O-N 3.36Å; Q20-L224 HydrophobicContact CB-CB 4.23Å; Q20-L224 HydrophobicContact CG-CB 3.93Å; Q20-L224 HydrophobicContact CG-CD1 4.43Å; Q20-L228 HydrophobicContact CB-CD1 4.25Å; Q20-L228 WeakPolarHBondContact O-CD1 3.5Å
21G95.4Very high97.5Very high63 Ų6340.2 Ų40.265%0.64925%0.253SS*.THydrogen-bonded Turntrans8827173.100000114.7L17 V18 D19 A23L17-G21 PolarHBondContact O-N 3.19Å; V18-G21 WeakPolarHBondContact O-CA 3.36Å; V18-G21 PolarHBondContact O-N 3.01Å; D19-G21 VanDerWaalsContact C-N 3.28Å; G21-A23 PolarHBondContact O-N 3.5Å
22A96.4Very high97.2Very high34 Ų3440.3 Ų40.328%0.28126%0.264SS..  trans-60.6124.3173.300000111.1L17 A24 I25L17-A22 HydrophobicContact CB-CB 4.22Å; L17-A22 VanDerWaalsContact O-CB 3.22Å; L17-A22 WeakPolarHBondContact O-CB 3.21Å; L17-A22 PolarHBondContact O-N 3.07Å; A22-A24 VanDerWaalsContact C-N 3.35Å; A22-I25 HydrophobicContact CB-CG1 4.02Å
23A96.1Very high96.9Very high91 Ų9141.2 Ų41.275%0.75227%0.272SS*.SBendtrans-74.3-27.117700000113G21 P70G21-A23 PolarHBondContact O-N 3.5Å; A23-P70 WeakPolarHBondContact O-CD 3.45Å
24A97.7Very high96.5Very high39 Ų3941.7 Ų41.732%0.32228%0.276SS..SBendtrans-155.6158.917200000108.5A22 P70 I72A22-A24 VanDerWaalsContact C-N 3.35Å; A24-P70 CarbonylContact C-O 3.6Å; A24-P70 WeakPolarHBondContact CA-O 3.35Å; A24-P70 HydrophobicContact CB-CB 4.35Å; A24-I72 HydrophobicContact CB-CD1 3.99Å
25I98.5Very high96Very high6 Ų646.4 Ų46.43%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-125.3122.1-178.1-62.2166.6000110I14 L17 V18 A22 L27 P70 L71 I72I14-I25 HydrophobicContact CG2-CD1 3.91Å; L17-I25 HydrophobicContact CB-CD1 3.78Å; L17-I25 HydrophobicContact CB-CG1 4.11Å; L17-I25 HydrophobicContact CD1-CD1 4.29Å; L17-I25 HydrophobicContact CD1-CG1 4.21Å; L17-I25 HydrophobicContact CD1-CG2 3.74Å; V18-I25 HydrophobicContact CG2-CD1 3.71Å; A22-I25 HydrophobicContact CB-CG1 4.02Å; I25-L27 HydrophobicContact CG2-CD2 3.97Å; I25-L27 HydrophobicContact CG2-CG 4.36Å; I25-P70 PolarHBondContact N-O 3.45Å; I25-L71 HydrophobicContact CB-CD2 3.88Å; I25-L71 HydrophobicContact CD1-CD2 4.36Å; I25-L71 HydrophobicContact CG2-CD2 4.31Å; I25-L71 WeakPolarHBondContact O-CA 3.41Å; I25-I72 PolarHBondContact O-N 2.84Å
26E98.1Very high95.5Very high51 Ų5146.7 Ų46.724%0.23831%0.308CS..EExtended strand (participates in β ladder)trans-86.4117173.5-66.2175.5-166.900110.8I72 I101 Y147E26-I72 CarbonylContact C-O 3.42Å; E26-I72 WeakPolarHBondContact CA-O 3.36Å; E26-I72 HydrophobicContact CG-CB 4.35Å; E26-I72 HydrophobicContact CG-CD1 4.48Å; E26-I72 HydrophobicContact CG-CG2 4.49Å; E26-I101 HydrophobicContact CG-CD1 4.18Å; E26-Y147 WeakPolarHBondContact OE1-CE1 3.39Å
27L98.5Very high95Very high10 Ų1047 Ų475%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-101.7101.2175.4-63.6-178.6000109.6L10 I14 I25 V29 L62 L71 I72 L73 M74L10-L27 HydrophobicContact CD1-CD2 3.96Å; I14-L27 HydrophobicContact CD1-CD1 4.18Å; I14-L27 HydrophobicContact CD1-CD2 4.39Å; I14-L27 HydrophobicContact CG1-CD2 4.35Å; I25-L27 HydrophobicContact CG2-CD2 3.97Å; I25-L27 HydrophobicContact CG2-CG 4.36Å; L27-V29 PolarHBondContact O-N 2.82Å; L27-L62 HydrophobicContact CD1-CD1 4.28Å; L27-L62 HydrophobicContact CD1-CD2 3.72Å; L27-L71 HydrophobicContact CD1-CB 4.49Å; L27-L71 HydrophobicContact CD1-CD1 4.05Å; L27-L71 HydrophobicContact CD1-CD2 4.3Å; L27-I72 PolarHBondContact N-O 3.24Å; L27-L73 HydrophobicContact CB-CD2 4.05Å; L27-M74 PolarHBondContact O-N 3.39Å
28G97.9Very high94.6Very high14 Ų1446.6 Ų46.614%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-63.9127.617300000111.8A2 M74A2-G28 WeakPolarHBondContact CB-O 3.44Å; A2-G28 PolarHBondContact N-O 3.06Å; G28-M74 CarbonylContact C-O 3.53Å; G28-M74 WeakPolarHBondContact CA-O 3.34Å
29V98.1Very high94.3Very high5 Ų549.7 Ų49.73%0.0333%0.333CS..PPolyproline II helixtrans-89.5122.9173-178.60000108.2L27 F31 L55 L58 L73 M74 F80L27-V29 PolarHBondContact O-N 2.82Å; V29-F31 PolarHBondContact O-N 3.38Å; V29-L55 HydrophobicContact CG1-CB 4.1Å; V29-L55 HydrophobicContact CG1-CD1 4.03Å; V29-L55 HydrophobicContact CG2-CD1 4.01Å; V29-L58 HydrophobicContact CG2-CD2 3.99Å; V29-L73 HydrophobicContact CG2-CB 4.45Å; V29-L73 HydrophobicContact CG2-CD2 4.4Å; V29-M74 PolarHBondContact N-O 3.25Å; V29-F80 HydrophobicContact CG2-CE1 4.08Å; V29-F80 HydrophobicContact CG2-CZ 4.49Å
30P96.2Very high94.1Very high8 Ų846.3 Ų46.35%0.05232%0.316CS..PPolyproline II helixtrans-62133.8-177.524.3-32.8000111.3M1 A48 F49 V53M1-P30 HydrophobicContact SD-CB 4.03Å; P30-A48 HydrophobicContact CB-CB 3.83Å; P30-A48 HydrophobicContact CG-CB 3.98Å; P30-F49 HydrophobicContact CB-CD1 4.38Å; P30-F49 HydrophobicContact CB-CE1 3.98Å; P30-F49 HydrophobicContact CB-CE2 4.37Å; P30-F49 HydrophobicContact CB-CZ 3.98Å; P30-F49 HydrophobicContact CG-CE1 4.5Å; P30-V53 HydrophobicContact CG-CB 4.09Å; P30-V53 HydrophobicContact CG-CG1 3.79Å
31F96.4Very high94Very high30 Ų3045.6 Ų45.613%0.13231%0.314CS..  trans-134.7141.4-178-173-122.5000110.9V29 D33 P34 F49 Y76 N78 S79V29-F31 PolarHBondContact O-N 3.38Å; F31-D33 VanDerWaalsContact C-N 3.35Å; F31-D33 VanDerWaalsContact CD1-C 3.48Å; F31-D33 VanDerWaalsContact CD1-O 3.31Å; F31-D33 WeakPolarHBondContact CD1-O 3.42Å; F31-D33 HydrophobicContact CE1-CB 4.03Å; F31-D33 WeakPolarHBondContact CE1-O 3.38Å; F31-P34 WeakPolarHBondContact O-CD 3.47Å; F31-F49 VanDerWaalsContact C-CE2 3.47Å; F31-F49 WeakPolarHBondContact O-CE2 3.27Å; F31-Y76 HydrophobicContact CB-CD2 3.54Å; F31-Y76 HydrophobicContact CB-CE2 4.11Å; F31-Y76 HydrophobicContact CB-CG 4.25Å; F31-Y76 AromaticContact CD1-CD1 3.74Å; F31-Y76 HydrophobicContact CD1-CD1 3.74Å; F31-Y76 AromaticContact CD1-CD2 3.31Å; F31-Y76 HydrophobicContact CD1-CD2 3.31Å; F31-Y76 HydrophobicContact CD1-CE1 4.27Å; F31-Y76 AromaticContact CD1-CE2 3.89Å; F31-Y76 HydrophobicContact CD1-CE2 3.89Å; F31-Y76 AromaticContact CD1-CG 3.24Å; F31-Y76 HydrophobicContact CD1-CG 3.24Å; F31-Y76 AromaticContact CE1-CD1 3.81Å; F31-Y76 HydrophobicContact CE1-CD1 3.81Å; F31-Y76 HydrophobicContact CE1-CD2 4.17Å; F31-Y76 AromaticContact CE1-CG 3.61Å; F31-Y76 HydrophobicContact CE1-CG 3.61Å; F31-Y76 AromaticContact CG-CD2 3.59Å; F31-Y76 HydrophobicContact CG-CD2 3.59Å; F31-Y76 HydrophobicContact CG-CE2 4.37Å; F31-Y76 AromaticContact CG-CG 3.78Å; F31-Y76 HydrophobicContact CG-CG 3.78Å; F31-Y76 HydrophobicContact CZ-CG 4.42Å; F31-N78 HydrophobicContact CE2-CB 3.9Å; F31-N78 HydrophobicContact CZ-CB 4.04Å; F31-S79 WeakPolarHBondContact CD2-OG 3.44Å
32S91.3Very high94Very high99 Ų9946.6 Ų46.669%0.69230%0.301SS*.SBendtrans-74.4-25-170.853.50000113.4P34S32-P34 VanDerWaalsContact C-CD 3.46Å
33D92.3Very high94Very high105 Ų10547.2 Ų47.256%0.56131%0.307SS*.SBendtrans-129.566.4179.9-164.78.5000112F31 V35F31-D33 VanDerWaalsContact C-N 3.35Å; F31-D33 VanDerWaalsContact CD1-C 3.48Å; F31-D33 VanDerWaalsContact CD1-O 3.31Å; F31-D33 WeakPolarHBondContact CD1-O 3.42Å; F31-D33 HydrophobicContact CE1-CB 4.03Å; F31-D33 WeakPolarHBondContact CE1-O 3.38Å; D33-V35 VanDerWaalsContact C-N 3.33Å; D33-V35 PolarHBondContact O-N 3.45Å
34P90.6Very high94.1Very high23 Ų2342.9 Ų42.915%0.14927%0.271CS..  trans-80.572.1-168.934.9-37.8000112.8F31 S32 A36 D37 Q42 Y76F31-P34 WeakPolarHBondContact O-CD 3.47Å; S32-P34 VanDerWaalsContact C-CD 3.46Å; P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.08Å; P34-D37 HydrophobicContact CB-CB 4.04Å; P34-D37 VanDerWaalsContact CB-OD2 3.26Å; P34-D37 WeakPolarHBondContact CB-OD2 3.36Å; P34-D37 PolarHBondContact O-N 3Å; P34-D37 VanDerWaalsContact O-N 3.16Å; P34-Q42 HydrophobicContact CG-CB 4.33Å; P34-Q42 HydrophobicContact CG-CG 3.86Å; P34-Y76 VanDerWaalsContact CA-CZ 3.47Å; P34-Y76 VanDerWaalsContact CA-OH 3.26Å; P34-Y76 WeakPolarHBondContact CA-OH 3.26Å; P34-Y76 HydrophobicContact CB-CE2 3.95Å; P34-Y76 PolarHBondContact O-OH 2.91Å
35V87.8Confident94.1Very high103 Ų10341.1 Ų41.162%0.62426%0.257SS*.THydrogen-bonded Turntrans-63.8-24.2-173-62.50000115.2D33 Y76D33-V35 VanDerWaalsContact C-N 3.33Å; D33-V35 PolarHBondContact O-N 3.45Å; V35-Y76 HydrophobicContact CG2-CE1 4.03Å; V35-Y76 PolarHBondContact N-OH 2.98Å
36A86.6Confident94Very high51 Ų5146.6 Ų46.642%0.42129%0.286SS..THydrogen-bonded Turntrans-89-13.8179.600000112.7P34 Y76 P103P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.08Å; A36-Y76 HydrophobicContact CB-CE1 4.27Å; A36-Y76 WeakPolarHBondContact CB-OH 3.44Å; A36-Y76 PolarHBondContact N-OH 2.95Å; A36-P103 HydrophobicContact CB-CB 3.85Å
37D89.2Confident94Very high21 Ų2147.3 Ų47.311%0.11229%0.286CS..SBendtrans-88.9143.7-171.7-71.6-54.1000112.7P34 I41 Q42 Y76P34-D37 HydrophobicContact CB-CB 4.04Å; P34-D37 VanDerWaalsContact CB-OD2 3.26Å; P34-D37 WeakPolarHBondContact CB-OD2 3.36Å; P34-D37 PolarHBondContact O-N 3Å; P34-D37 VanDerWaalsContact O-N 3.16Å; D37-I41 HydrophobicContact CB-CB 4Å; D37-I41 HydrophobicContact CB-CG2 3.97Å; D37-I41 WeakPolarHBondContact OD1-CG2 3.16Å; D37-Q42 HydrophobicContact CB-CG 3.98Å; D37-Q42 PolarHBondContact O-NE2 3.41Å; D37-Y76 PolarHBondContact N-OH 2.78Å; D37-Y76 VanDerWaalsContact OD2-CE2 3.32Å; D37-Y76 WeakPolarHBondContact OD2-CE2 3.48Å; D37-Y76 PolarHBondContact OD2-OH 3.3Å
38G88.9Confident94Very high19 Ų1946.9 Ų46.920%0.19628%0.284CS..  trans-75.2163.7170.500000112.7T40 I41 Q42G38-T40 VanDerWaalsContact C-N 3.25Å; G38-T40 PolarHBondContact O-N 2.72Å; G38-T40 VanDerWaalsContact O-N 3.08Å; G38-I41 PolarHBondContact O-N 3.3Å; G38-Q42 WeakPolarHBondContact O-CG 3.46Å; G38-Q42 PolarHBondContact O-N 3.06Å
39P91.5Very high94Very high107 Ų10750 Ų5070%0.69529%0.293SS*.Hα-helixtrans-55.6-35.7-171.321.1-33.8000114.1I41 A43P39-I41 PolarHBondContact O-N 3.34Å; P39-A43 WeakPolarHBondContact O-CB 3.4Å; P39-A43 PolarHBondContact O-N 2.93Å
40T92.9Very high93.9Very high51 Ų5153.6 Ų53.631%0.31332%0.324SS..Hα-helixtrans-62.1-41.5176.2-55.30000112.6G38 A44 V209G38-T40 VanDerWaalsContact C-N 3.25Å; G38-T40 PolarHBondContact O-N 2.72Å; G38-T40 VanDerWaalsContact O-N 3.08Å; T40-A44 PolarHBondContact O-N 2.87Å; T40-V209 HydrophobicContact CG2-CB 4.41Å; T40-V209 HydrophobicContact CG2-CG1 4.19Å
41I94.5Very high94Very high28 Ų2858.4 Ų58.414%0.14435%0.346CS..Hα-helixtrans-76.5-40.1-178.3-54.7-56.9000109.9M1 D37 G38 P39 A43 A44 G45 V209M1-I41 HydrophobicContact CE-CG2 3.84Å; D37-I41 HydrophobicContact CB-CB 4Å; D37-I41 HydrophobicContact CB-CG2 3.97Å; D37-I41 WeakPolarHBondContact OD1-CG2 3.16Å; G38-I41 PolarHBondContact O-N 3.3Å; P39-I41 PolarHBondContact O-N 3.34Å; I41-A43 VanDerWaalsContact C-N 3.33Å; I41-A43 PolarHBondContact O-N 3.37Å; I41-A44 WeakPolarHBondContact O-CB 3.11Å; I41-A44 PolarHBondContact O-N 3.24Å; I41-A44 VanDerWaalsContact O-N 3.11Å; I41-G45 PolarHBondContact O-N 3.46Å; I41-V209 HydrophobicContact CD1-CB 4.06Å; I41-V209 HydrophobicContact CD1-CG1 4.23Å; I41-V209 HydrophobicContact CD1-CG2 3.75Å
42Q95.4Very high94Very high83 Ų8363.7 Ų63.739%0.38837%0.371SS..Hα-helixtrans-56.4-47.4172.8-59.8-173.46.500111.4P34 D37 G38 A44 G45 L46P34-Q42 HydrophobicContact CG-CB 4.33Å; P34-Q42 HydrophobicContact CG-CG 3.86Å; D37-Q42 HydrophobicContact CB-CG 3.98Å; D37-Q42 PolarHBondContact O-NE2 3.41Å; G38-Q42 WeakPolarHBondContact O-CG 3.46Å; G38-Q42 PolarHBondContact O-N 3.06Å; Q42-A44 VanDerWaalsContact C-N 3.29Å; Q42-A44 PolarHBondContact O-N 2.92Å; Q42-G45 PolarHBondContact O-N 3.44Å; Q42-G45 VanDerWaalsContact O-N 3.1Å; Q42-L46 PolarHBondContact O-N 3.04Å
43A96.3Very high94.4Very high47 Ų4759.3 Ų59.339%0.38834%0.34SS..Hα-helixtrans-61.7-35.8176.900000112.6P39 I41 L46 R47P39-A43 WeakPolarHBondContact O-CB 3.4Å; P39-A43 PolarHBondContact O-N 2.93Å; I41-A43 VanDerWaalsContact C-N 3.33Å; I41-A43 PolarHBondContact O-N 3.37Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-R47 WeakPolarHBondContact O-CG 3.32Å; A43-R47 PolarHBondContact O-N 3.2Å
44A97.6Very high94.6Very high0 Ų057.4 Ų57.40%033%0.332CS..Hα-helixtrans-68.4-37.5173.800000112.4M1 A4 T40 I41 Q42 R47 A48 V209M1-A44 HydrophobicContact CB-CB 3.69Å; M1-A44 HydrophobicContact CG-CB 4Å; A4-A44 HydrophobicContact CB-CB 4.14Å; A4-A44 WeakPolarHBondContact CB-O 3.41Å; T40-A44 PolarHBondContact O-N 2.87Å; I41-A44 WeakPolarHBondContact O-CB 3.11Å; I41-A44 PolarHBondContact O-N 3.24Å; I41-A44 VanDerWaalsContact O-N 3.11Å; Q42-A44 VanDerWaalsContact C-N 3.29Å; Q42-A44 PolarHBondContact O-N 2.92Å; A44-R47 PolarHBondContact O-N 2.95Å; A44-A48 PolarHBondContact O-N 2.87Å; A44-V209 HydrophobicContact CB-CG1 3.42Å; A44-V209 VanDerWaalsContact CB-CG1 3.42Å
45G97.6Very high95Very high3 Ų357 Ų573%0.03133%0.328CS..Hα-helixtrans-59.5-44.4172.900000112.1I41 Q42 R47 A48 F49I41-G45 PolarHBondContact O-N 3.46Å; Q42-G45 PolarHBondContact O-N 3.44Å; Q42-G45 VanDerWaalsContact O-N 3.1Å; G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 3.24Å; G45-A48 WeakPolarHBondContact O-CB 3.42Å; G45-A48 PolarHBondContact O-N 2.97Å; G45-F49 VanDerWaalsContact O-CD2 3.24Å; G45-F49 WeakPolarHBondContact O-CD2 3.43Å; G45-F49 PolarHBondContact O-N 3.43Å
46L97.3Very high95.4Very high121 Ų12157.8 Ų57.863%0.63432%0.323SS*.Hα-helixtrans-59.9-40.1174.5-66.9176.2000112.6Q42 A43 F49 A50Q42-L46 PolarHBondContact O-N 3.04Å; A43-L46 PolarHBondContact O-N 3.06Å; L46-F49 PolarHBondContact O-N 2.87Å; L46-A50 PolarHBondContact O-N 2.87Å
47R97.9Very high96Very high66 Ų6659.3 Ų59.325%0.24932%0.32CS..Hα-helixtrans-65.5-41.5174.9-70.9-175.2-66.4126.5-6.8112.1A4 A43 A44 G45 F49 A50 Q51A4-R47 HydrophobicContact CB-CB 4.42Å; A4-R47 PolarHBondContact O-NH1 3.47Å; A43-R47 WeakPolarHBondContact O-CG 3.32Å; A43-R47 PolarHBondContact O-N 3.2Å; A44-R47 PolarHBondContact O-N 2.95Å; G45-R47 VanDerWaalsContact C-N 3.32Å; G45-R47 PolarHBondContact O-N 3.24Å; R47-F49 VanDerWaalsContact C-N 3.3Å; R47-F49 PolarHBondContact O-N 3.21Å; R47-A50 WeakPolarHBondContact O-CB 3.31Å; R47-A50 PolarHBondContact O-N 3.23Å; R47-Q51 WeakPolarHBondContact O-CG 3.36Å; R47-Q51 PolarHBondContact O-N 3.36Å; R47-Q51 VanDerWaalsContact O-N 3.09Å
48A98.3Very high96.4Very high0 Ų058.3 Ų58.30%032%0.315CS..Hα-helixtrans-62.4-37.5174.200000111.8M1 A4 P30 A44 G45 Q51 Q52 V53M1-A48 HydrophobicContact CG-CB 4.23Å; A4-A48 HydrophobicContact CB-CB 4.39Å; P30-A48 HydrophobicContact CB-CB 3.83Å; P30-A48 HydrophobicContact CG-CB 3.98Å; A44-A48 PolarHBondContact O-N 2.87Å; G45-A48 WeakPolarHBondContact O-CB 3.42Å; G45-A48 PolarHBondContact O-N 2.97Å; A48-Q51 CarbonylContact O-C 3.59Å; A48-Q51 WeakPolarHBondContact O-CA 3.04Å; A48-Q51 WeakPolarHBondContact O-CB 3.34Å; A48-Q51 PolarHBondContact O-N 3.48Å; A48-Q51 VanDerWaalsContact O-N 3.15Å; A48-Q52 PolarHBondContact O-N 2.87Å; A48-V53 HydrophobicContact CB-CB 4.14Å; A48-V53 HydrophobicContact CB-CG2 4.11Å; A48-V53 WeakPolarHBondContact O-CB 3.3Å; A48-V53 VanDerWaalsContact O-CG2 3.24Å; A48-V53 WeakPolarHBondContact O-CG2 3.09Å; A48-V53 PolarHBondContact O-N 3.12Å
49F97.1Very high96.9Very high79 Ų7957.4 Ų57.435%0.34631%0.306SS..Hα-helixtrans-65.7-38.4172.4-71.5-48.9000113.4P30 F31 G45 L46 R47 Q51 Q52P30-F49 HydrophobicContact CB-CD1 4.38Å; P30-F49 HydrophobicContact CB-CE1 3.98Å; P30-F49 HydrophobicContact CB-CE2 4.37Å; P30-F49 HydrophobicContact CB-CZ 3.98Å; P30-F49 HydrophobicContact CG-CE1 4.5Å; F31-F49 VanDerWaalsContact C-CE2 3.47Å; F31-F49 WeakPolarHBondContact O-CE2 3.27Å; G45-F49 VanDerWaalsContact O-CD2 3.24Å; G45-F49 WeakPolarHBondContact O-CD2 3.43Å; G45-F49 PolarHBondContact O-N 3.43Å; L46-F49 PolarHBondContact O-N 2.87Å; R47-F49 VanDerWaalsContact C-N 3.3Å; R47-F49 PolarHBondContact O-N 3.21Å; F49-Q51 PolarHBondContact O-N 2.88Å; F49-Q52 WeakPolarHBondContact O-CA 3.4Å; F49-Q52 PolarHBondContact O-N 3.39Å
50A97.1Very high97.2Very high81 Ų8156.6 Ų56.667%0.66929%0.293SS*.Hα-helixtrans-61.2-29.417300000112.1L46 R47 Q52L46-A50 PolarHBondContact O-N 2.87Å; R47-A50 WeakPolarHBondContact O-CB 3.31Å; R47-A50 PolarHBondContact O-N 3.23Å; A50-Q52 VanDerWaalsContact C-N 3.27Å
51Q97.5Very high97.5Very high110 Ų11056.1 Ų56.151%0.51429%0.286SS..THydrogen-bonded Turntrans-83.44.9171.7-62.6-66-11.400113.6R47 A48 F49 V53R47-Q51 WeakPolarHBondContact O-CG 3.36Å; R47-Q51 PolarHBondContact O-N 3.36Å; R47-Q51 VanDerWaalsContact O-N 3.09Å; A48-Q51 CarbonylContact O-C 3.59Å; A48-Q51 WeakPolarHBondContact O-CA 3.04Å; A48-Q51 WeakPolarHBondContact O-CB 3.34Å; A48-Q51 PolarHBondContact O-N 3.48Å; A48-Q51 VanDerWaalsContact O-N 3.15Å; F49-Q51 PolarHBondContact O-N 2.88Å; Q51-V53 HydrophobicContact CB-CG2 3.93Å; Q51-V53 PolarHBondContact O-N 2.95Å
52Q97.2Very high97.7Very high141 Ų14154.9 Ų54.966%0.65928%0.28SS*.THydrogen-bonded Turntrans54.735.6-178.5-54.9175.147.700113.6A48 F49 A50 K57A48-Q52 PolarHBondContact O-N 2.87Å; F49-Q52 WeakPolarHBondContact O-CA 3.4Å; F49-Q52 PolarHBondContact O-N 3.39Å; A50-Q52 VanDerWaalsContact C-N 3.27Å; Q52-K57 WeakPolarHBondContact O-CD 3.38Å; Q52-K57 PolarHBondContact O-NZ 2.85Å
53V98.1Very high97.8Very high6 Ų655 Ų554%0.03628%0.28CS..  trans-69.7136.4176-179.60000109.3L7 P30 A48 Q51L7-V53 HydrophobicContact CD1-CG1 4.37Å; L7-V53 HydrophobicContact CD2-CG1 4.3Å; L7-V53 HydrophobicContact CG-CG1 4.44Å; L7-V53 HydrophobicContact CG-CG2 4.19Å; P30-V53 HydrophobicContact CG-CB 4.09Å; P30-V53 HydrophobicContact CG-CG1 3.79Å; A48-V53 HydrophobicContact CB-CB 4.14Å; A48-V53 HydrophobicContact CB-CG2 4.11Å; A48-V53 WeakPolarHBondContact O-CB 3.3Å; A48-V53 VanDerWaalsContact O-CG2 3.24Å; A48-V53 WeakPolarHBondContact O-CG2 3.09Å; A48-V53 PolarHBondContact O-N 3.12Å; Q51-V53 HydrophobicContact CB-CG2 3.93Å; Q51-V53 PolarHBondContact O-N 2.95Å
54T97.1Very high97.8Very high65 Ų6559 Ų5940%0.39929%0.291SS..  trans-132.2161173.264.10000108.8K56 K57 L58T54-K56 PolarHBondContact O-N 2.91Å; T54-K57 PolarHBondContact O-N 2.86Å; T54-K57 WeakPolarHBondContact OG1-CG 3.43Å; T54-K57 PolarHBondContact OG1-N 3.21Å; T54-L58 PolarHBondContact O-N 2.78Å
55L98.1Very high97.8Very high14 Ų1459.1 Ų59.17%0.07329%0.292CS..Hα-helixtrans-56.9-39174.1179.854.9000111.5V29 L58 V59 L73 F80 Y83 L88V29-L55 HydrophobicContact CG1-CB 4.1Å; V29-L55 HydrophobicContact CG1-CD1 4.03Å; V29-L55 HydrophobicContact CG2-CD1 4.01Å; L55-L58 WeakPolarHBondContact O-CB 3.43Å; L55-L58 PolarHBondContact O-N 2.6Å; L55-V59 HydrophobicContact CD1-CG2 4.09Å; L55-V59 HydrophobicContact CG-CG2 4.39Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.47Å; L55-V59 PolarHBondContact O-N 3.36Å; L55-L73 HydrophobicContact CD1-CD1 4.32Å; L55-F80 HydrophobicContact CD1-CE1 4.45Å; L55-F80 HydrophobicContact CD2-CD1 3.65Å; L55-F80 HydrophobicContact CD2-CE1 4.01Å; L55-Y83 HydrophobicContact CB-CD2 4.26Å; L55-Y83 HydrophobicContact CD2-CD2 3.83Å; L55-Y83 HydrophobicContact CD2-CG 4.23Å; L55-Y83 HydrophobicContact CG-CD2 3.78Å; L55-Y83 HydrophobicContact CG-CE2 4.24Å; L55-L88 HydrophobicContact CD1-CD1 4.37Å; L55-L88 HydrophobicContact CD2-CD1 4.3Å; L55-L88 HydrophobicContact CD2-CD2 4.23Å; L55-L88 HydrophobicContact CG-CD1 4.34Å
56K97.9Very high97.8Very high120 Ų12066.4 Ų66.452%0.52232%0.319SS..Hα-helixtrans-59.8-51.2175.5-174.6171.6-178.6167.80113.4T54 L58 V59 E60 Y83T54-K56 PolarHBondContact O-N 2.91Å; K56-L58 PolarHBondContact O-N 3.43Å; K56-V59 PolarHBondContact O-N 3.31Å; K56-E60 VanDerWaalsContact CE-OE1 3.22Å; K56-E60 WeakPolarHBondContact CE-OE1 3.46Å; K56-E60 WeakPolarHBondContact O-CG 3.38Å; K56-E60 PolarHBondContact O-N 3.09Å; K56-Y83 HydrophobicContact CB-CE2 3.95Å; K56-Y83 HydrophobicContact CG-CE2 4.43Å
57K98.3Very high97.7Very high83 Ų8361.1 Ų61.136%0.36129%0.291SS..Hα-helixtrans-61.6-33.3176.3-69.5179-178.2176.30112.3L7 Q52 T54 K61L7-K57 HydrophobicContact CD1-CB 3.75Å; Q52-K57 WeakPolarHBondContact O-CD 3.38Å; Q52-K57 PolarHBondContact O-NZ 2.85Å; T54-K57 PolarHBondContact O-N 2.86Å; T54-K57 WeakPolarHBondContact OG1-CG 3.43Å; T54-K57 PolarHBondContact OG1-N 3.21Å; K57-K61 WeakPolarHBondContact O-CB 3.19Å; K57-K61 PolarHBondContact O-N 3.15Å
58L98.5Very high97.5Very high0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-66.9-48.3175176.658.2000111.2A2 L7 L10 V29 T54 L55 K56 K61 L62 L73A2-L58 HydrophobicContact CB-CD1 3.64Å; A2-L58 HydrophobicContact CB-CD2 3.73Å; A2-L58 HydrophobicContact CB-CG 4.29Å; L7-L58 HydrophobicContact CD2-CD1 4.11Å; L10-L58 HydrophobicContact CD2-CD1 3.55Å; V29-L58 HydrophobicContact CG2-CD2 3.99Å; T54-L58 PolarHBondContact O-N 2.78Å; L55-L58 WeakPolarHBondContact O-CB 3.43Å; L55-L58 PolarHBondContact O-N 2.6Å; K56-L58 PolarHBondContact O-N 3.43Å; L58-K61 PolarHBondContact O-N 3.18Å; L58-K61 VanDerWaalsContact O-N 3.15Å; L58-L62 HydrophobicContact CD1-CD1 4.03Å; L58-L62 HydrophobicContact CD1-CD2 4.45Å; L58-L62 HydrophobicContact CD1-CG 4Å; L58-L62 HydrophobicContact CG-CD1 3.97Å; L58-L62 HydrophobicContact CG-CG 4.36Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.34Å; L58-L62 PolarHBondContact O-N 3.28Å; L58-L73 HydrophobicContact CD2-CD2 4.01Å
59V98.6Very high97.5Very high1 Ų161.7 Ų61.71%0.00632%0.317CS..Hα-helixtrans-58.8-48.6177.4171.60000110.7L55 K56 K61 L62 Q63 Y83 L88 D91 L92L55-V59 HydrophobicContact CD1-CG2 4.09Å; L55-V59 HydrophobicContact CG-CG2 4.39Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.47Å; L55-V59 PolarHBondContact O-N 3.36Å; K56-V59 PolarHBondContact O-N 3.31Å; V59-K61 VanDerWaalsContact C-N 3.28Å; V59-K61 PolarHBondContact O-N 2.97Å; V59-L62 PolarHBondContact O-N 2.72Å; V59-Q63 WeakPolarHBondContact O-CG 3.45Å; V59-Q63 PolarHBondContact O-N 2.77Å; V59-Y83 HydrophobicContact CG2-CE2 4.39Å; V59-L88 HydrophobicContact CG2-CD1 3.53Å; V59-D91 HydrophobicContact CG1-CB 3.61Å; V59-L92 HydrophobicContact CG1-CD2 4.16Å; V59-L92 HydrophobicContact CG1-CG 4.46Å; V59-L92 HydrophobicContact CG2-CD2 4.12Å; V59-L92 HydrophobicContact CG2-CG 4.45Å
60E98.2Very high97.5Very high89 Ų8960.1 Ų60.142%0.41632%0.315SS..Hα-helixtrans-53.7-45.8174.2-71.4167.7179.500111K56 L62 Q63K56-E60 VanDerWaalsContact CE-OE1 3.22Å; K56-E60 WeakPolarHBondContact CE-OE1 3.46Å; K56-E60 WeakPolarHBondContact O-CG 3.38Å; K56-E60 PolarHBondContact O-N 3.09Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-Q63 PolarHBondContact O-N 2.96Å
61K98.3Very high97.6Very high41 Ų4156.4 Ų56.418%0.17828%0.284CS..Hα-helixtrans-66.2-36.1178.1-172.564.4-163.8160.10112.9L7 L10 K57 L58 V59 Q63 E64 I65L7-K61 HydrophobicContact CB-CG 4.5Å; L10-K61 HydrophobicContact CD2-CG 4.21Å; K57-K61 WeakPolarHBondContact O-CB 3.19Å; K57-K61 PolarHBondContact O-N 3.15Å; L58-K61 PolarHBondContact O-N 3.18Å; L58-K61 VanDerWaalsContact O-N 3.15Å; V59-K61 VanDerWaalsContact C-N 3.28Å; V59-K61 PolarHBondContact O-N 2.97Å; K61-Q63 VanDerWaalsContact C-N 3.32Å; K61-Q63 PolarHBondContact O-N 3.38Å; K61-E64 IonicContact NZ-OE2 3.02Å; K61-E64 PolarHBondContact NZ-OE2 3.17Å; K61-E64 WeakPolarHBondContact O-CB 3.26Å; K61-E64 PolarHBondContact O-N 3Å; K61-I65 HydrophobicContact CG-CD1 3.97Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 3.13Å
62L98.5Very high97.7Very high2 Ų251.5 Ų51.51%0.0126%0.261CS..Hα-helixtrans-71.4-25.5179.6-69.8175.4000113L10 L27 L58 V59 E60 E64 I65 L71 L73 V97L10-L62 HydrophobicContact CD2-CD2 4.26Å; L27-L62 HydrophobicContact CD1-CD1 4.28Å; L27-L62 HydrophobicContact CD1-CD2 3.72Å; L58-L62 HydrophobicContact CD1-CD1 4.03Å; L58-L62 HydrophobicContact CD1-CD2 4.45Å; L58-L62 HydrophobicContact CD1-CG 4Å; L58-L62 HydrophobicContact CG-CD1 3.97Å; L58-L62 HydrophobicContact CG-CG 4.36Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.34Å; L58-L62 PolarHBondContact O-N 3.28Å; V59-L62 PolarHBondContact O-N 2.72Å; E60-L62 PolarHBondContact O-N 3.35Å; L62-E64 PolarHBondContact O-N 3.33Å; L62-I65 PolarHBondContact O-N 3.15Å; L62-L71 HydrophobicContact CD2-CD1 3.72Å; L62-L73 HydrophobicContact CD1-CD2 3.89Å; L62-V97 HydrophobicContact CD1-CG2 3.88Å
63Q97.8Very high97.7Very high85 Ų8544.8 Ų44.840%0.39723%0.23SC..Hα-helixtrans-64.4-28.6172-68.3168.2-13.600112.3V59 E60 K61 R66 D91 T95V59-Q63 WeakPolarHBondContact O-CG 3.45Å; V59-Q63 PolarHBondContact O-N 2.77Å; E60-Q63 PolarHBondContact O-N 2.96Å; K61-Q63 VanDerWaalsContact C-N 3.32Å; K61-Q63 PolarHBondContact O-N 3.38Å; Q63-R66 PolarHBondContact O-NH1 2.86Å; Q63-D91 PolarHBondContact NE2-O 3.24Å; Q63-T95 HydrophobicContact CG-CG2 3.97Å
64E97.5Very high97.7Very high131 Ų13146.4 Ų46.461%0.61224%0.237SC*.Hα-helixtrans-83.8-23.3179.1-57.7175.3174.900113.6K61 L62K61-E64 IonicContact NZ-OE2 3.02Å; K61-E64 PolarHBondContact NZ-OE2 3.17Å; K61-E64 WeakPolarHBondContact O-CB 3.26Å; K61-E64 PolarHBondContact O-N 3Å; L62-E64 PolarHBondContact O-N 3.33Å
65I97.4Very high97.7Very high3 Ų343.3 Ų43.32%0.01522%0.219CC..  trans-92.5143.3-173.1-65.7170.4000109.9L10 E11 I14 K61 L62L10-I65 HydrophobicContact CB-CD1 4.46Å; L10-I65 HydrophobicContact CD2-CD1 4.21Å; L10-I65 HydrophobicContact CG-CD1 4.19Å; E11-I65 HydrophobicContact CB-CD1 3.91Å; E11-I65 HydrophobicContact CB-CG1 4.04Å; E11-I65 HydrophobicContact CG-CG1 4.18Å; E11-I65 HydrophobicContact CG-CG2 4.35Å; I14-I65 HydrophobicContact CD1-CD1 4.41Å; I14-I65 HydrophobicContact CD1-CG2 4.39Å; K61-I65 HydrophobicContact CG-CD1 3.97Å; K61-I65 WeakPolarHBondContact O-CG1 3.24Å; K61-I65 PolarHBondContact O-N 3.13Å; L62-I65 PolarHBondContact O-N 3.15Å
66R96.8Very high97.7Very high157 Ų15742.9 Ų42.959%0.59222%0.216SC*.  trans-117.1103.4162-64.5-62.7177.2-82.21.1107.8Q63 D96Q63-R66 PolarHBondContact O-NH1 2.86Å; R66-D96 VanDerWaalsContact CA-OD2 3.3Å; R66-D96 WeakPolarHBondContact CA-OD2 3.32Å
67S95.5Very high97.7Very high9 Ų937.9 Ų37.96%0.06320%0.196CC..  trans-73.6-30.5-169.658.40000112.4V18 A69 D96V18-S67 WeakPolarHBondContact CG2-O 3.21Å; S67-A69 PolarHBondContact O-N 2.79Å; S67-A69 PolarHBondContact OG-N 3.2Å; S67-A69 PolarHBondContact OG-O 3.03Å; S67-D96 PolarHBondContact N-OD2 2.64Å; S67-D96 WeakPolarHBondContact OG-CB 3.33Å; S67-D96 VanDerWaalsContact OG-CG 3.3Å; S67-D96 PolarHBondContact OG-OD2 2.76Å; S67-D96 VanDerWaalsContact OG-OD2 3.12Å
68G94.7Very high97.6Very high70 Ų7038.7 Ų38.772%0.72221%0.205SC*.SBendtrans75.1-1-171.900000114.4
69A97.1Very high97.5Very high9 Ų939.8 Ų39.87%0.07421%0.212CC..SBendtrans-143.3147.8173.900000110.5V18 S67 L71V18-A69 HydrophobicContact CG2-CB 3.7Å; S67-A69 PolarHBondContact O-N 2.79Å; S67-A69 PolarHBondContact OG-N 3.2Å; S67-A69 PolarHBondContact OG-O 3.03Å; A69-L71 PolarHBondContact O-N 3.42Å
70P98.1Very high97.5Very high45 Ų4539.8 Ų39.829%0.29221%0.212SC..  trans-53129.8178.2-24.332.1000112.5A23 A24 I25 Q98A23-P70 WeakPolarHBondContact O-CD 3.45Å; A24-P70 CarbonylContact C-O 3.6Å; A24-P70 WeakPolarHBondContact CA-O 3.35Å; A24-P70 HydrophobicContact CB-CB 4.35Å; I25-P70 PolarHBondContact N-O 3.45Å; P70-Q98 HydrophobicContact CB-CB 4.45Å
71L98.7Very high97.4Very high3 Ų339.7 Ų39.72%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-98.3143174.1-57.3-178.4000110.2I14 I25 L27 L62 A69 D96 V97 Q98I14-L71 HydrophobicContact CD1-CD1 4.45Å; I14-L71 HydrophobicContact CD1-CD2 4.37Å; I14-L71 HydrophobicContact CG2-CD2 4.48Å; I25-L71 HydrophobicContact CB-CD2 3.88Å; I25-L71 HydrophobicContact CD1-CD2 4.36Å; I25-L71 HydrophobicContact CG2-CD2 4.31Å; I25-L71 WeakPolarHBondContact O-CA 3.41Å; L27-L71 HydrophobicContact CD1-CB 4.49Å; L27-L71 HydrophobicContact CD1-CD1 4.05Å; L27-L71 HydrophobicContact CD1-CD2 4.3Å; L62-L71 HydrophobicContact CD2-CD1 3.72Å; A69-L71 PolarHBondContact O-N 3.42Å; L71-D96 HydrophobicContact CD1-CB 4.23Å; L71-D96 HydrophobicContact CG-CB 4.11Å; L71-D96 PolarHBondContact N-O 2.89Å; L71-V97 HydrophobicContact CB-CG2 3.98Å; L71-V97 HydrophobicContact CD1-CG2 4.4Å; L71-V97 WeakPolarHBondContact O-CA 3.41Å; L71-Q98 PolarHBondContact O-N 2.63Å
72I98.7Very high97.4Very high8 Ų845.7 Ų45.74%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-125.2120.9177.5-63.3159.3000108A24 I25 E26 L27 G99 I101 L123 F145A24-I72 HydrophobicContact CB-CD1 3.99Å; I25-I72 PolarHBondContact O-N 2.84Å; E26-I72 CarbonylContact C-O 3.42Å; E26-I72 WeakPolarHBondContact CA-O 3.36Å; E26-I72 HydrophobicContact CG-CB 4.35Å; E26-I72 HydrophobicContact CG-CD1 4.48Å; E26-I72 HydrophobicContact CG-CG2 4.49Å; L27-I72 PolarHBondContact N-O 3.24Å; I72-G99 CarbonylContact C-O 3.57Å; I72-G99 VanDerWaalsContact CA-O 3.24Å; I72-G99 WeakPolarHBondContact CA-O 3.5Å; I72-I101 HydrophobicContact CG2-CD1 3.72Å; I72-I101 HydrophobicContact CG2-CG1 3.79Å; I72-L123 HydrophobicContact CD1-CD2 3.86Å; I72-L123 HydrophobicContact CG2-CD1 4.41Å; I72-L123 HydrophobicContact CG2-CD2 4.37Å; I72-F145 HydrophobicContact CD1-CE1 3.49Å; I72-F145 VanDerWaalsContact CD1-CE1 3.49Å; I72-F145 HydrophobicContact CD1-CZ 3.95Å
73L98.6Very high97.4Very high0 Ų047.2 Ų47.20%025%0.245CC..EExtended strand (participates in β ladder)trans-81.8121.3172.3-65.1-176.4000109.6L27 V29 L55 L58 L62 F80 L92 V97 G99 F100 I101L27-L73 HydrophobicContact CB-CD2 4.05Å; V29-L73 HydrophobicContact CG2-CB 4.45Å; V29-L73 HydrophobicContact CG2-CD2 4.4Å; L55-L73 HydrophobicContact CD1-CD1 4.32Å; L58-L73 HydrophobicContact CD2-CD2 4.01Å; L62-L73 HydrophobicContact CD1-CD2 3.89Å; L73-F80 HydrophobicContact CB-CZ 4.08Å; L73-L92 HydrophobicContact CD1-CD1 3.82Å; L73-L92 HydrophobicContact CD1-CD2 4.38Å; L73-V97 HydrophobicContact CD1-CG1 4.37Å; L73-V97 HydrophobicContact CG-CG1 3.99Å; L73-V97 HydrophobicContact CG-CG2 4.38Å; L73-G99 PolarHBondContact N-O 3.26Å; L73-F100 HydrophobicContact CB-CD1 3.84Å; L73-F100 HydrophobicContact CB-CE1 4.09Å; L73-F100 HydrophobicContact CD1-CE1 3.97Å; L73-F100 HydrophobicContact CG-CE1 4.3Å; L73-F100 CarbonylContact O-C 3.54Å; L73-F100 WeakPolarHBondContact O-CA 3.38Å; L73-I101 PolarHBondContact O-N 3.37Å
74M98.1Very high97.4Very high39 Ų3944.4 Ų44.419%0.19224%0.238CC..EExtended strand (participates in β ladder)trans-106.6112.4173.5-178.3179.5179.700109L27 G28 V29 I101 P103L27-M74 PolarHBondContact O-N 3.39Å; G28-M74 CarbonylContact C-O 3.53Å; G28-M74 WeakPolarHBondContact CA-O 3.34Å; V29-M74 PolarHBondContact N-O 3.25Å; M74-I101 WeakPolarHBondContact CA-O 3.43Å; M74-I101 HydrophobicContact CB-CB 4.15Å; M74-I101 HydrophobicContact CE-CG2 4.42Å; M74-I101 HydrophobicContact CG-CB 3.99Å; M74-I101 HydrophobicContact CG-CG2 3.93Å; M74-I101 HydrophobicContact SD-CG2 4.44Å; M74-P103 HydrophobicContact CE-CG 3.61Å; M74-P103 HydrophobicContact CG-CG 4.29Å
75G97.3Very high97.4Very high1 Ų138.6 Ų38.61%0.0121%0.211CC..  trans-154.5163.9-175.500000112.5I101 I102 P103G75-I101 PolarHBondContact N-O 2.88Å; G75-I102 WeakPolarHBondContact O-CA 3.17Å; G75-P103 WeakPolarHBondContact O-CD 3.32Å
76Y97.2Very high97.4Very high5 Ų544.1 Ų44.12%0.0224%0.236CC..  trans-83.8150.9-179.9-70.1-104000110.9F31 P34 V35 A36 D37 N78 S79 F80 D104F31-Y76 HydrophobicContact CB-CD2 3.54Å; F31-Y76 HydrophobicContact CB-CE2 4.11Å; F31-Y76 HydrophobicContact CB-CG 4.25Å; F31-Y76 AromaticContact CD1-CD1 3.74Å; F31-Y76 HydrophobicContact CD1-CD1 3.74Å; F31-Y76 AromaticContact CD1-CD2 3.31Å; F31-Y76 HydrophobicContact CD1-CD2 3.31Å; F31-Y76 HydrophobicContact CD1-CE1 4.27Å; F31-Y76 AromaticContact CD1-CE2 3.89Å; F31-Y76 HydrophobicContact CD1-CE2 3.89Å; F31-Y76 AromaticContact CD1-CG 3.24Å; F31-Y76 HydrophobicContact CD1-CG 3.24Å; F31-Y76 AromaticContact CE1-CD1 3.81Å; F31-Y76 HydrophobicContact CE1-CD1 3.81Å; F31-Y76 HydrophobicContact CE1-CD2 4.17Å; F31-Y76 AromaticContact CE1-CG 3.61Å; F31-Y76 HydrophobicContact CE1-CG 3.61Å; F31-Y76 AromaticContact CG-CD2 3.59Å; F31-Y76 HydrophobicContact CG-CD2 3.59Å; F31-Y76 HydrophobicContact CG-CE2 4.37Å; F31-Y76 AromaticContact CG-CG 3.78Å; F31-Y76 HydrophobicContact CG-CG 3.78Å; F31-Y76 HydrophobicContact CZ-CG 4.42Å; P34-Y76 VanDerWaalsContact CA-CZ 3.47Å; P34-Y76 VanDerWaalsContact CA-OH 3.26Å; P34-Y76 WeakPolarHBondContact CA-OH 3.26Å; P34-Y76 HydrophobicContact CB-CE2 3.95Å; P34-Y76 PolarHBondContact O-OH 2.91Å; V35-Y76 HydrophobicContact CG2-CE1 4.03Å; V35-Y76 PolarHBondContact N-OH 2.98Å; A36-Y76 HydrophobicContact CB-CE1 4.27Å; A36-Y76 WeakPolarHBondContact CB-OH 3.44Å; A36-Y76 PolarHBondContact N-OH 2.95Å; D37-Y76 PolarHBondContact N-OH 2.78Å; D37-Y76 VanDerWaalsContact OD2-CE2 3.32Å; D37-Y76 WeakPolarHBondContact OD2-CE2 3.48Å; D37-Y76 PolarHBondContact OD2-OH 3.3Å; Y76-N78 PolarHBondContact O-N 3.22Å; Y76-N78 VanDerWaalsContact O-N 3.13Å; Y76-S79 WeakPolarHBondContact O-CB 3.24Å; Y76-S79 PolarHBondContact O-N 2.72Å; Y76-F80 PolarHBondContact O-N 3.02Å; Y76-D104 HydrophobicContact CD1-CB 3.9Å; Y76-D104 HydrophobicContact CE1-CB 4.43Å
77S97.1Very high97.5Very high14 Ų1441.8 Ų41.810%0.09823%0.231CC..Hα-helixtrans-49.8-43.2-176-65.90000111.8S79 F80 F81 I102 D104S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 2.99Å; S77-F80 PolarHBondContact O-N 3.02Å; S77-F81 WeakPolarHBondContact O-CB 3.49Å; S77-F81 WeakPolarHBondContact O-CD2 3.36Å; S77-F81 WeakPolarHBondContact O-CG 3.49Å; S77-F81 PolarHBondContact O-N 2.83Å; S77-I102 WeakPolarHBondContact OG-CG2 3.18Å; S77-D104 WeakPolarHBondContact CB-OD1 3.48Å; S77-D104 WeakPolarHBondContact CB-OD2 3.36Å; S77-D104 PolarHBondContact N-OD1 2.93Å; S77-D104 PolarHBondContact N-OD2 3.41Å; S77-D104 VanDerWaalsContact N-OD2 3.15Å; S77-D104 VanDerWaalsContact OG-CG 3.29Å; S77-D104 PolarHBondContact OG-OD1 3.48Å
78N96.9Very high97.6Very high101 Ų10141.4 Ų41.454%0.5423%0.228SC..Hα-helixtrans-57.7-43.6179.4-177.277.3000112.8F31 Y76 F80 H82F31-N78 HydrophobicContact CE2-CB 3.9Å; F31-N78 HydrophobicContact CZ-CB 4.04Å; Y76-N78 PolarHBondContact O-N 3.22Å; Y76-N78 VanDerWaalsContact O-N 3.13Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 2.83Å; N78-H82 WeakPolarHBondContact O-CB 3.43Å; N78-H82 PolarHBondContact O-N 2.86Å
79S96.3Very high97.8Very high23 Ų2338.3 Ų38.316%0.16120%0.195CC..Hα-helixtrans-63.3-42.2-180-62.50000111.6F31 Y76 S77 Y83F31-S79 WeakPolarHBondContact CD2-OG 3.44Å; Y76-S79 WeakPolarHBondContact O-CB 3.24Å; Y76-S79 PolarHBondContact O-N 2.72Å; S77-S79 VanDerWaalsContact C-N 3.34Å; S77-S79 PolarHBondContact O-N 2.99Å; S79-Y83 PolarHBondContact O-N 3.29Å
80F97.9Very high97.9Very high1 Ų142.3 Ų42.30%0.00421%0.213CC..Hα-helixtrans-76.5-40-176.7-66.90.9000111.6V29 L55 L73 Y76 S77 N78 Y83 G84 I85 L88 F100 I102V29-F80 HydrophobicContact CG2-CE1 4.08Å; V29-F80 HydrophobicContact CG2-CZ 4.49Å; L55-F80 HydrophobicContact CD1-CE1 4.45Å; L55-F80 HydrophobicContact CD2-CD1 3.65Å; L55-F80 HydrophobicContact CD2-CE1 4.01Å; L73-F80 HydrophobicContact CB-CZ 4.08Å; Y76-F80 PolarHBondContact O-N 3.02Å; S77-F80 PolarHBondContact O-N 3.02Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 2.83Å; F80-Y83 PolarHBondContact O-N 2.89Å; F80-G84 CarbonylContact O-C 3.58Å; F80-G84 PolarHBondContact O-N 3.06Å; F80-I85 HydrophobicContact CB-CD1 3.54Å; F80-L88 HydrophobicContact CB-CD2 4.37Å; F80-L88 HydrophobicContact CD1-CD2 4.1Å; F80-L88 HydrophobicContact CG-CD2 4.12Å; F80-F100 HydrophobicContact CD2-CD2 4.44Å; F80-F100 HydrophobicContact CE2-CB 4.15Å; F80-F100 HydrophobicContact CE2-CD1 4.34Å; F80-F100 HydrophobicContact CE2-CD2 4.27Å; F80-F100 HydrophobicContact CE2-CG 4.01Å; F80-I102 HydrophobicContact CD2-CD1 3.63Å; F80-I102 HydrophobicContact CD2-CG1 3.72Å; F80-I102 HydrophobicContact CE2-CD1 4.06Å; F80-I102 HydrophobicContact CE2-CG1 3.68Å
81F97.6Very high97.9Very high86 Ų8642.6 Ų42.638%0.37721%0.212SC..Hα-helixtrans-68-35.5174.9-69.6-47.6000112.8S77 Y83 G84 I85 L112 V113S77-F81 WeakPolarHBondContact O-CB 3.49Å; S77-F81 WeakPolarHBondContact O-CD2 3.36Å; S77-F81 WeakPolarHBondContact O-CG 3.49Å; S77-F81 PolarHBondContact O-N 2.83Å; F81-Y83 VanDerWaalsContact C-N 3.34Å; F81-G84 PolarHBondContact O-N 3.02Å; F81-G84 VanDerWaalsContact O-N 3.16Å; F81-I85 HydrophobicContact CD1-CD1 3.92Å; F81-I85 HydrophobicContact CD1-CG1 3.79Å; F81-I85 HydrophobicContact CE1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CG1 3.87Å; F81-L112 HydrophobicContact CE1-CB 4.03Å; F81-L112 HydrophobicContact CZ-CB 3.77Å; F81-L112 HydrophobicContact CZ-CD1 4.15Å; F81-V113 HydrophobicContact CE1-CG2 3.94Å; F81-V113 HydrophobicContact CZ-CG2 3.9Å
82H97.2Very high97.8Very high168 Ų16842.7 Ų42.778%0.77821%0.212SC*.Hα-helixtrans-67.8-35.3176.2-170.374.5000112.4N78 G84N78-H82 WeakPolarHBondContact O-CB 3.43Å; N78-H82 PolarHBondContact O-N 2.86Å; H82-G84 VanDerWaalsContact C-N 3.31Å
83Y98Very high97.7Very high33 Ų3348 Ų4813%0.12924%0.241CC..Hα-helixtrans-66.2-37.6169.6-157.6-72.6000111.5L55 K56 V59 S79 F80 F81 E87 L88 D91L55-Y83 HydrophobicContact CB-CD2 4.26Å; L55-Y83 HydrophobicContact CD2-CD2 3.83Å; L55-Y83 HydrophobicContact CD2-CG 4.23Å; L55-Y83 HydrophobicContact CG-CD2 3.78Å; L55-Y83 HydrophobicContact CG-CE2 4.24Å; K56-Y83 HydrophobicContact CB-CE2 3.95Å; K56-Y83 HydrophobicContact CG-CE2 4.43Å; V59-Y83 HydrophobicContact CG2-CE2 4.39Å; S79-Y83 PolarHBondContact O-N 3.29Å; F80-Y83 PolarHBondContact O-N 2.89Å; F81-Y83 VanDerWaalsContact C-N 3.34Å; Y83-E87 HydrophobicContact CD1-CB 4.34Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CE1-CB 4.38Å; Y83-E87 HydrophobicContact CE1-CG 4Å; Y83-L88 HydrophobicContact CD1-CB 3.6Å; Y83-L88 HydrophobicContact CD1-CD1 4.16Å; Y83-L88 HydrophobicContact CD1-CG 4.45Å; Y83-L88 HydrophobicContact CD2-CD1 4.41Å; Y83-L88 HydrophobicContact CE1-CB 4.06Å; Y83-L88 HydrophobicContact CE1-CD1 4.21Å; Y83-L88 HydrophobicContact CE2-CD1 4.43Å; Y83-L88 HydrophobicContact CG-CB 4.18Å; Y83-L88 HydrophobicContact CG-CD1 4.27Å; Y83-D91 WeakPolarHBondContact CE1-OD2 3.49Å; Y83-D91 PolarHBondContact OH-OD2 2.76Å
84G98.2Very high97.6Very high26 Ų2650.8 Ų50.827%0.26827%0.27SS..  trans93.5114.1-168.300000109.7F80 F81 H82 K86 E87 L88F80-G84 CarbonylContact O-C 3.58Å; F80-G84 PolarHBondContact O-N 3.06Å; F81-G84 PolarHBondContact O-N 3.02Å; F81-G84 VanDerWaalsContact O-N 3.16Å; H82-G84 VanDerWaalsContact C-N 3.31Å; G84-K86 VanDerWaalsContact C-N 3.29Å; G84-K86 PolarHBondContact O-N 3.02Å; G84-E87 PolarHBondContact O-N 3.48Å; G84-L88 WeakPolarHBondContact O-CB 3.47Å; G84-L88 PolarHBondContact O-N 3.35Å
85I98Very high97.6Very high9 Ų949.8 Ų49.85%0.04627%0.266CS..Hα-helixtrans-57.1-44-174.5-54.6-59.1000111.6F80 F81 L88 V89 V113 N116 L117F80-I85 HydrophobicContact CB-CD1 3.54Å; F81-I85 HydrophobicContact CD1-CD1 3.92Å; F81-I85 HydrophobicContact CD1-CG1 3.79Å; F81-I85 HydrophobicContact CE1-CD1 4.1Å; F81-I85 HydrophobicContact CE1-CG1 3.87Å; I85-L88 PolarHBondContact O-N 3.17Å; I85-V89 HydrophobicContact CG2-CG2 4.34Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 3.34Å; I85-V113 HydrophobicContact CD1-CG1 4.45Å; I85-V113 HydrophobicContact CD1-CG2 4.39Å; I85-V113 HydrophobicContact CG1-CG2 4.48Å; I85-V113 HydrophobicContact CG2-CG1 3.95Å; I85-N116 HydrophobicContact CB-CB 4.13Å; I85-N116 HydrophobicContact CG2-CB 3.66Å; I85-L117 HydrophobicContact CG2-CD2 4.21Å
86K98Very high97.6Very high120 Ų12051.8 Ų51.852%0.52228%0.276SS..Hα-helixtrans-62.3-49.3179.8-174.4-178.3169.2-170.50111.7G84 L88 V89 E90 N116G84-K86 VanDerWaalsContact C-N 3.29Å; G84-K86 PolarHBondContact O-N 3.02Å; K86-L88 VanDerWaalsContact C-N 3.35Å; K86-V89 PolarHBondContact O-N 3.31Å; K86-E90 WeakPolarHBondContact CE-OE1 3.24Å; K86-E90 IonicContact NZ-OE1 3.85Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 2.91Å; K86-N116 HydrophobicContact CB-CB 4.23Å
87E98.3Very high97.7Very high108 Ų10851.9 Ų51.951%0.50528%0.277SS..Hα-helixtrans-62-43.1178.5-171.9177.4164.600110.8Y83 G84 V89 E90 D91Y83-E87 HydrophobicContact CD1-CB 4.34Å; Y83-E87 HydrophobicContact CD1-CG 4.38Å; Y83-E87 HydrophobicContact CE1-CB 4.38Å; Y83-E87 HydrophobicContact CE1-CG 4Å; G84-E87 PolarHBondContact O-N 3.48Å; E87-V89 PolarHBondContact O-N 3.02Å; E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 3.18Å; E87-E90 VanDerWaalsContact O-N 3.13Å; E87-D91 PolarHBondContact O-N 3.39Å
88L98.6Very high97.7Very high0 Ų056.5 Ų56.50%030%0.297CS..Hα-helixtrans-58.6-45.7175.8179.560.1000112.1L55 V59 F80 Y83 G84 I85 K86 E90 D91 L92 F100L55-L88 HydrophobicContact CD1-CD1 4.37Å; L55-L88 HydrophobicContact CD2-CD1 4.3Å; L55-L88 HydrophobicContact CD2-CD2 4.23Å; L55-L88 HydrophobicContact CG-CD1 4.34Å; V59-L88 HydrophobicContact CG2-CD1 3.53Å; F80-L88 HydrophobicContact CB-CD2 4.37Å; F80-L88 HydrophobicContact CD1-CD2 4.1Å; F80-L88 HydrophobicContact CG-CD2 4.12Å; Y83-L88 HydrophobicContact CD1-CB 3.6Å; Y83-L88 HydrophobicContact CD1-CD1 4.16Å; Y83-L88 HydrophobicContact CD1-CG 4.45Å; Y83-L88 HydrophobicContact CD2-CD1 4.41Å; Y83-L88 HydrophobicContact CE1-CB 4.06Å; Y83-L88 HydrophobicContact CE1-CD1 4.21Å; Y83-L88 HydrophobicContact CE2-CD1 4.43Å; Y83-L88 HydrophobicContact CG-CB 4.18Å; Y83-L88 HydrophobicContact CG-CD1 4.27Å; G84-L88 WeakPolarHBondContact O-CB 3.47Å; G84-L88 PolarHBondContact O-N 3.35Å; I85-L88 PolarHBondContact O-N 3.17Å; K86-L88 VanDerWaalsContact C-N 3.35Å; L88-E90 VanDerWaalsContact C-N 3.32Å; L88-D91 PolarHBondContact O-N 3.21Å; L88-L92 HydrophobicContact CD1-CD1 3.83Å; L88-L92 HydrophobicContact CD1-CG 4.22Å; L88-L92 HydrophobicContact CG-CD1 3.91Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 WeakPolarHBondContact O-CD1 3.15Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.24Å; L88-F100 HydrophobicContact CD2-CE2 4.22Å; L88-F100 HydrophobicContact CD2-CZ 3.93Å; L88-F100 HydrophobicContact CG-CZ 4.16Å
89V98.4Very high97.8Very high5 Ų551.7 Ų51.73%0.0327%0.272CS..Hα-helixtrans-69-31.9178176.70000111I85 K86 E87 D93 F100 N116 L117 R118 I120I85-V89 HydrophobicContact CG2-CG2 4.34Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 3.34Å; K86-V89 PolarHBondContact O-N 3.31Å; E87-V89 PolarHBondContact O-N 3.02Å; V89-D93 PolarHBondContact O-N 3.1Å; V89-F100 HydrophobicContact CG2-CE2 4.09Å; V89-F100 HydrophobicContact CG2-CZ 4.32Å; V89-N116 WeakPolarHBondContact CG2-O 3.36Å; V89-L117 HydrophobicContact CG2-CD2 4.08Å; V89-R118 HydrophobicContact CG1-CB 4.36Å; V89-R118 PolarHBondContact O-NH2 3.11Å; V89-I120 HydrophobicContact CG1-CD1 4.15Å; V89-I120 HydrophobicContact CG2-CD1 4.22Å
90E98Very high97.9Very high93 Ų9350.6 Ų50.644%0.43526%0.264SS..Hα-helixtrans-65-46.8171.7-73.2172.9174.100111.8K86 E87 L88 L92 D93 R118K86-E90 WeakPolarHBondContact CE-OE1 3.24Å; K86-E90 IonicContact NZ-OE1 3.85Å; K86-E90 WeakPolarHBondContact O-CG 3.44Å; K86-E90 PolarHBondContact O-N 2.91Å; E87-E90 WeakPolarHBondContact O-CB 3.33Å; E87-E90 PolarHBondContact O-N 3.18Å; E87-E90 VanDerWaalsContact O-N 3.13Å; L88-E90 VanDerWaalsContact C-N 3.32Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 2.91Å; E90-D93 VanDerWaalsContact O-CB 3.24Å; E90-D93 WeakPolarHBondContact O-CB 3.34Å; E90-D93 PolarHBondContact O-N 2.96Å; E90-R118 VanDerWaalsContact N-NH2 3.14Å
91D98.2Very high97.9Very high52 Ų5250.6 Ų50.628%0.27826%0.264SS..Hα-helixtrans-71.6-24.4-179.6-70.2-19.2000113V59 Q63 Y83 E87 L88 D93V59-D91 HydrophobicContact CG1-CB 3.61Å; Q63-D91 PolarHBondContact NE2-O 3.24Å; Y83-D91 WeakPolarHBondContact CE1-OD2 3.49Å; Y83-D91 PolarHBondContact OH-OD2 2.76Å; E87-D91 PolarHBondContact O-N 3.39Å; L88-D91 PolarHBondContact O-N 3.21Å; D91-D93 VanDerWaalsContact C-N 3.31Å
92L98.2Very high97.9Very high4 Ų447 Ų472%0.02125%0.249CC..THydrogen-bonded Turntrans-84.3-4.3175.1-71.4171.3000113.6V59 L73 L88 E90 G94 T95 V97 F100 I120V59-L92 HydrophobicContact CG1-CD2 4.16Å; V59-L92 HydrophobicContact CG1-CG 4.46Å; V59-L92 HydrophobicContact CG2-CD2 4.12Å; V59-L92 HydrophobicContact CG2-CG 4.45Å; L73-L92 HydrophobicContact CD1-CD1 3.82Å; L73-L92 HydrophobicContact CD1-CD2 4.38Å; L88-L92 HydrophobicContact CD1-CD1 3.83Å; L88-L92 HydrophobicContact CD1-CG 4.22Å; L88-L92 HydrophobicContact CG-CD1 3.91Å; L88-L92 WeakPolarHBondContact O-CB 3.44Å; L88-L92 WeakPolarHBondContact O-CD1 3.15Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.24Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 2.91Å; L92-G94 PolarHBondContact O-N 3.07Å; L92-T95 HydrophobicContact CD2-CG2 4.48Å; L92-T95 WeakPolarHBondContact O-CB 3.42Å; L92-T95 WeakPolarHBondContact O-CG2 3.24Å; L92-T95 PolarHBondContact O-N 3.1Å; L92-T95 PolarHBondContact O-OG1 3.37Å; L92-V97 HydrophobicContact CD1-CB 4.45Å; L92-V97 HydrophobicContact CD1-CG1 4.09Å; L92-V97 HydrophobicContact CD2-CB 4.17Å; L92-V97 HydrophobicContact CD2-CG2 3.83Å; L92-F100 HydrophobicContact CD1-CE1 3.72Å; L92-F100 HydrophobicContact CD1-CZ 3.68Å; L92-I120 HydrophobicContact CB-CD1 4.42Å; L92-I120 HydrophobicContact CD1-CD1 4.34Å
93D96.7Very high97.7Very high120 Ų12040.5 Ų40.564%0.64222%0.222SC*.THydrogen-bonded Turntrans-60.1132.9179.6-166.330.1000111.1V89 E90 D91 T95V89-D93 PolarHBondContact O-N 3.1Å; E90-D93 VanDerWaalsContact O-CB 3.24Å; E90-D93 WeakPolarHBondContact O-CB 3.34Å; E90-D93 PolarHBondContact O-N 2.96Å; D91-D93 VanDerWaalsContact C-N 3.31Å; D93-T95 PolarHBondContact O-N 3.22Å
94G95.2Very high97.6Very high59 Ų5941.9 Ų41.961%0.60823%0.231SC*.THydrogen-bonded Turntrans73.92.8-175.300000116.2L92L92-G94 PolarHBondContact O-N 3.07Å
95T97.7Very high97.5Very high18 Ų1841.9 Ų41.911%0.1123%0.225CC..SBendtrans-85.6171.6167.575.30000111.3Q63 L92 D93 V97Q63-T95 HydrophobicContact CG-CG2 3.97Å; L92-T95 HydrophobicContact CD2-CG2 4.48Å; L92-T95 WeakPolarHBondContact O-CB 3.42Å; L92-T95 WeakPolarHBondContact O-CG2 3.24Å; L92-T95 PolarHBondContact O-N 3.1Å; L92-T95 PolarHBondContact O-OG1 3.37Å; D93-T95 PolarHBondContact O-N 3.22Å; T95-V97 PolarHBondContact O-N 3.18Å; T95-V97 PolarHBondContact OG1-N 3.48Å
96D98.1Very high97.3Very high42 Ų4244.5 Ų44.523%0.22524%0.243CC..SBendtrans-81.57.4175.4-66-53.3000113.6R66 S67 L71 Q98R66-D96 VanDerWaalsContact CA-OD2 3.3Å; R66-D96 WeakPolarHBondContact CA-OD2 3.32Å; S67-D96 PolarHBondContact N-OD2 2.64Å; S67-D96 WeakPolarHBondContact OG-CB 3.33Å; S67-D96 VanDerWaalsContact OG-CG 3.3Å; S67-D96 PolarHBondContact OG-OD2 2.76Å; S67-D96 VanDerWaalsContact OG-OD2 3.12Å; L71-D96 HydrophobicContact CD1-CB 4.23Å; L71-D96 HydrophobicContact CG-CB 4.11Å; L71-D96 PolarHBondContact N-O 2.89Å; D96-Q98 PolarHBondContact O-N 2.93Å
97V98.6Very high97.1Very high8 Ų840.4 Ų40.45%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-74.9118.3176.5-178.90000110.4L62 L71 L73 L92 T95 F100L62-V97 HydrophobicContact CD1-CG2 3.88Å; L71-V97 HydrophobicContact CB-CG2 3.98Å; L71-V97 HydrophobicContact CD1-CG2 4.4Å; L71-V97 WeakPolarHBondContact O-CA 3.41Å; L73-V97 HydrophobicContact CD1-CG1 4.37Å; L73-V97 HydrophobicContact CG-CG1 3.99Å; L73-V97 HydrophobicContact CG-CG2 4.38Å; L92-V97 HydrophobicContact CD1-CB 4.45Å; L92-V97 HydrophobicContact CD1-CG1 4.09Å; L92-V97 HydrophobicContact CD2-CB 4.17Å; L92-V97 HydrophobicContact CD2-CG2 3.83Å; T95-V97 PolarHBondContact O-N 3.18Å; T95-V97 PolarHBondContact OG1-N 3.48Å; V97-F100 HydrophobicContact CG1-CE1 4Å
98Q98.1Very high97Very high110 Ų11039.4 Ų39.451%0.51422%0.219SC..EExtended strand (participates in β ladder)trans-123.4-2.2-175-67.9-177.158.600113.6P70 L71 D96 A121P70-Q98 HydrophobicContact CB-CB 4.45Å; L71-Q98 PolarHBondContact O-N 2.63Å; D96-Q98 PolarHBondContact O-N 2.93Å; Q98-A121 PolarHBondContact O-N 3.42Å
99G98.4Very high96.9Very high1 Ų144 Ų441%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-158.3156.4178.900000114.4I72 L73 A121I72-G99 CarbonylContact C-O 3.57Å; I72-G99 VanDerWaalsContact CA-O 3.24Å; I72-G99 WeakPolarHBondContact CA-O 3.5Å; L73-G99 PolarHBondContact N-O 3.26Å; G99-A121 CarbonylContact C-O 3.6Å; G99-A121 WeakPolarHBondContact CA-O 3.43Å
100F98.5Very high96.8Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-117.6140.3170.6-65.1-20.6000111L73 F80 L88 V89 L92 V97 I102 L117 I120 A121 L122 L123L73-F100 HydrophobicContact CB-CD1 3.84Å; L73-F100 HydrophobicContact CB-CE1 4.09Å; L73-F100 HydrophobicContact CD1-CE1 3.97Å; L73-F100 HydrophobicContact CG-CE1 4.3Å; L73-F100 CarbonylContact O-C 3.54Å; L73-F100 WeakPolarHBondContact O-CA 3.38Å; F80-F100 HydrophobicContact CD2-CD2 4.44Å; F80-F100 HydrophobicContact CE2-CB 4.15Å; F80-F100 HydrophobicContact CE2-CD1 4.34Å; F80-F100 HydrophobicContact CE2-CD2 4.27Å; F80-F100 HydrophobicContact CE2-CG 4.01Å; L88-F100 HydrophobicContact CD2-CE2 4.22Å; L88-F100 HydrophobicContact CD2-CZ 3.93Å; L88-F100 HydrophobicContact CG-CZ 4.16Å; V89-F100 HydrophobicContact CG2-CE2 4.09Å; V89-F100 HydrophobicContact CG2-CZ 4.32Å; L92-F100 HydrophobicContact CD1-CE1 3.72Å; L92-F100 HydrophobicContact CD1-CZ 3.68Å; V97-F100 HydrophobicContact CG1-CE1 4Å; F100-I102 HydrophobicContact CB-CG1 4.36Å; F100-L117 HydrophobicContact CD2-CD2 3.58Å; F100-L117 HydrophobicContact CE2-CD2 3.61Å; F100-I120 HydrophobicContact CD1-CG2 3.99Å; F100-I120 HydrophobicContact CD2-CG2 4.05Å; F100-I120 HydrophobicContact CE1-CD1 4.18Å; F100-I120 HydrophobicContact CE1-CG2 4.03Å; F100-I120 HydrophobicContact CE2-CG2 4.11Å; F100-I120 HydrophobicContact CG-CG2 3.98Å; F100-I120 HydrophobicContact CZ-CD1 3.86Å; F100-I120 HydrophobicContact CZ-CG2 4.09Å; F100-A121 PolarHBondContact N-O 2.97Å; F100-L122 HydrophobicContact CB-CD1 4.34Å; F100-L123 PolarHBondContact O-N 3.18Å
101I97.7Very high96.7Very high1 Ų147.2 Ų47.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-115122.2162.7-65163.9000106.8E26 I72 L73 M74 G75 P103 L123 L125 Y147E26-I101 HydrophobicContact CG-CD1 4.18Å; I72-I101 HydrophobicContact CG2-CD1 3.72Å; I72-I101 HydrophobicContact CG2-CG1 3.79Å; L73-I101 PolarHBondContact O-N 3.37Å; M74-I101 WeakPolarHBondContact CA-O 3.43Å; M74-I101 HydrophobicContact CB-CB 4.15Å; M74-I101 HydrophobicContact CE-CG2 4.42Å; M74-I101 HydrophobicContact CG-CB 3.99Å; M74-I101 HydrophobicContact CG-CG2 3.93Å; M74-I101 HydrophobicContact SD-CG2 4.44Å; G75-I101 PolarHBondContact N-O 2.88Å; I101-P103 HydrophobicContact CG2-CG 4.28Å; I101-L123 HydrophobicContact CD1-CD2 4.17Å; I101-L123 HydrophobicContact CG1-CB 3.71Å; I101-L123 HydrophobicContact CG1-CD2 4.05Å; I101-L123 HydrophobicContact CG1-CG 4.38Å; I101-L125 HydrophobicContact CG2-CD1 3.93Å; I101-L125 HydrophobicContact CG2-CD2 4.43Å; I101-L125 HydrophobicContact CG2-CG 4.31Å; I101-Y147 HydrophobicContact CD1-CD1 3.94Å; I101-Y147 HydrophobicContact CD1-CE1 4.4Å
102I97.1Very high96.6Very high9 Ų949 Ų495%0.04627%0.265CS..  trans-120.789.8179.8-49.6174.5000108.6G75 S77 F80 F100 D104 L105 V113 L122G75-I102 WeakPolarHBondContact O-CA 3.17Å; S77-I102 WeakPolarHBondContact OG-CG2 3.18Å; F80-I102 HydrophobicContact CD2-CD1 3.63Å; F80-I102 HydrophobicContact CD2-CG1 3.72Å; F80-I102 HydrophobicContact CE2-CD1 4.06Å; F80-I102 HydrophobicContact CE2-CG1 3.68Å; F100-I102 HydrophobicContact CB-CG1 4.36Å; I102-D104 WeakPolarHBondContact CG2-OD1 3.34Å; I102-D104 PolarHBondContact O-N 3.49Å; I102-L105 HydrophobicContact CB-CB 3.78Å; I102-L105 HydrophobicContact CB-CD2 4.3Å; I102-L105 HydrophobicContact CD1-CD2 3.94Å; I102-L105 HydrophobicContact CG2-CB 3.55Å; I102-L105 HydrophobicContact CG2-CD2 4.5Å; I102-L105 PolarHBondContact O-N 2.94Å; I102-L105 VanDerWaalsContact O-N 3.1Å; I102-V113 HydrophobicContact CD1-CG1 4.17Å; I102-V113 HydrophobicContact CD1-CG2 4.12Å; I102-L122 HydrophobicContact CD1-CD1 3.93Å; I102-L122 HydrophobicContact CG1-CD1 4.13Å
103P94.2Very high96.6Very high33 Ų3348.9 Ų48.921%0.21426%0.264CS..THydrogen-bonded Turntrans-61.4-29.8-167.1-26.135.9000114.9A36 M74 G75 I101 L125A36-P103 HydrophobicContact CB-CB 3.85Å; M74-P103 HydrophobicContact CE-CG 3.61Å; M74-P103 HydrophobicContact CG-CG 4.29Å; G75-P103 WeakPolarHBondContact O-CD 3.32Å; I101-P103 HydrophobicContact CG2-CG 4.28Å; P103-L125 HydrophobicContact CB-CD1 4.33Å
104D95.1Very high96.6Very high62 Ų6246.2 Ų46.233%0.33225%0.25SC..THydrogen-bonded Turntrans-95.41.3-178.166.6-21.7000113.3Y76 S77 I102 P106Y76-D104 HydrophobicContact CD1-CB 3.9Å; Y76-D104 HydrophobicContact CE1-CB 4.43Å; S77-D104 WeakPolarHBondContact CB-OD1 3.48Å; S77-D104 WeakPolarHBondContact CB-OD2 3.36Å; S77-D104 PolarHBondContact N-OD1 2.93Å; S77-D104 PolarHBondContact N-OD2 3.41Å; S77-D104 VanDerWaalsContact N-OD2 3.15Å; S77-D104 VanDerWaalsContact OG-CG 3.29Å; S77-D104 PolarHBondContact OG-OD1 3.48Å; I102-D104 WeakPolarHBondContact CG2-OD1 3.34Å; I102-D104 PolarHBondContact O-N 3.49Å; D104-P106 VanDerWaalsContact O-CD 3.24Å; D104-P106 WeakPolarHBondContact O-CD 3.37Å
105L95.7Very high96.7Very high25 Ų2548.1 Ų48.113%0.13125%0.251CS..  trans-87.1110.6176-176.265.7000110.2I102 H109 V113 L122I102-L105 HydrophobicContact CB-CB 3.78Å; I102-L105 HydrophobicContact CB-CD2 4.3Å; I102-L105 HydrophobicContact CD1-CD2 3.94Å; I102-L105 HydrophobicContact CG2-CB 3.55Å; I102-L105 HydrophobicContact CG2-CD2 4.5Å; I102-L105 PolarHBondContact O-N 2.94Å; I102-L105 VanDerWaalsContact O-N 3.1Å; L105-H109 HydrophobicContact CD1-CB 4Å; L105-V113 HydrophobicContact CD2-CB 4.33Å; L105-V113 HydrophobicContact CD2-CG2 3.65Å; L105-L122 HydrophobicContact CD2-CD2 4.14Å
106P93.9Very high96.7Very high65 Ų6549.9 Ų49.942%0.42226%0.26SS..  trans-65.1143.9174.8-20.736.1000110.1D104 E108 H109D104-P106 VanDerWaalsContact O-CD 3.24Å; D104-P106 WeakPolarHBondContact O-CD 3.37Å; P106-E108 PolarHBondContact O-N 3.3Å; P106-H109 PolarHBondContact O-N 3.1Å
107Y94.4Very high96.6Very high34 Ų3448 Ų4813%0.13325%0.25CS..G310 helixtrans-51.6-35.7176.3171.7-81.1000112.3H109 R110 K137 L138 D141Y107-H109 PolarHBondContact O-N 3.36Å; Y107-R110 WeakPolarHBondContact O-CD 3.36Å; Y107-R110 WeakPolarHBondContact O-CG 3.07Å; Y107-R110 PolarHBondContact O-N 2.85Å; Y107-R110 VanDerWaalsContact OH-CZ 3.31Å; Y107-R110 PolarHBondContact OH-NH2 3.17Å; Y107-K137 HydrophobicContact CE1-CD 4.14Å; Y107-K137 HydrophobicContact CE1-CG 4.11Å; Y107-L138 HydrophobicContact CD1-CD2 4.47Å; Y107-L138 HydrophobicContact CD2-CD2 3.35Å; Y107-L138 HydrophobicContact CE2-CD2 4.08Å; Y107-L138 HydrophobicContact CG-CD2 3.55Å; Y107-D141 PolarHBondContact OH-OD2 3.5Å
108E96.2Very high96.4Very high86 Ų8654.1 Ų54.140%0.40227%0.272SS..G310 helixtrans-60.8-20.8176.8-78.259.4-138.700114.5P106 R134 K137P106-E108 PolarHBondContact O-N 3.3Å; E108-R134 VanDerWaalsContact CD-NH1 3.32Å; E108-R134 IonicContact OE1-CZ 3.62Å; E108-R134 IonicContact OE1-NH1 2.64Å; E108-R134 PolarHBondContact OE1-NH1 3.06Å; E108-R134 IonicContact OE1-NH2 3.72Å; E108-R134 IonicContact OE2-CZ 2.76Å; E108-R134 IonicContact OE2-NH1 2.89Å; E108-R134 PolarHBondContact OE2-NH1 3.24Å; E108-R134 IonicContact OE2-NH2 3.22Å; E108-R134 PolarHBondContact OE2-NH2 3.32Å; E108-K137 IonicContact OE1-NZ 2.72Å; E108-K137 PolarHBondContact OE1-NZ 3.33Å
109H96.5Very high96.2Very high97 Ų9756.8 Ų56.845%0.44929%0.29SS..G310 helixtrans-112.213-176.3-68-53.2000113.4L105 P106 Y107 D111 L112L105-H109 HydrophobicContact CD1-CB 4Å; P106-H109 PolarHBondContact O-N 3.1Å; Y107-H109 PolarHBondContact O-N 3.36Å; H109-D111 VanDerWaalsContact CA-OD1 3.26Å; H109-D111 WeakPolarHBondContact CA-OD1 3.29Å; H109-D111 PolarHBondContact O-N 2.87Å; H109-L112 HydrophobicContact CB-CD1 4.01Å; H109-L112 HydrophobicContact CB-CG 4.45Å; H109-L112 VanDerWaalsContact O-CB 3.32Å; H109-L112 WeakPolarHBondContact O-CB 3.49Å; H109-L112 WeakPolarHBondContact O-CG 3.42Å; H109-L112 PolarHBondContact O-N 3.39Å
110R95.7Very high96.1Very high67 Ų6757.5 Ų57.525%0.25329%0.294SS..G310 helixtrans-60-24.4177.267.6-172.4-179157.1-4.4113.3Y107 L112 V113 L114 L122 D141Y107-R110 WeakPolarHBondContact O-CD 3.36Å; Y107-R110 WeakPolarHBondContact O-CG 3.07Å; Y107-R110 PolarHBondContact O-N 2.85Å; Y107-R110 VanDerWaalsContact OH-CZ 3.31Å; Y107-R110 PolarHBondContact OH-NH2 3.17Å; R110-L112 PolarHBondContact O-N 2.96Å; R110-V113 PolarHBondContact O-N 3.38Å; R110-L114 HydrophobicContact CB-CD1 4.11Å; R110-L114 HydrophobicContact CB-CG 4.2Å; R110-L114 HydrophobicContact CG-CD1 3.67Å; R110-L114 HydrophobicContact CG-CG 4.3Å; R110-L114 WeakPolarHBondContact O-CG 3.42Å; R110-L114 PolarHBondContact O-N 2.78Å; R110-L122 HydrophobicContact CB-CD2 3.95Å; R110-D141 IonicContact CZ-OD2 2.82Å; R110-D141 VanDerWaalsContact CZ-OD2 3.29Å; R110-D141 IonicContact NH1-OD2 3.29Å; R110-D141 PolarHBondContact NH1-OD2 3.49Å; R110-D141 IonicContact NH2-OD2 2.83Å; R110-D141 PolarHBondContact NH2-OD2 3.34Å
111D96Very high96.1Very high99 Ų9958.3 Ų58.353%0.52930%0.3SS..G310 helixtrans-61.1-19.5174.563.4-41.3000113.3H109 V113 P115H109-D111 VanDerWaalsContact CA-OD1 3.26Å; H109-D111 WeakPolarHBondContact CA-OD1 3.29Å; H109-D111 PolarHBondContact O-N 2.87Å; D111-V113 PolarHBondContact O-N 3.45Å; D111-P115 WeakPolarHBondContact O-CD 3.42Å; D111-P115 VanDerWaalsContact O-CG 3.29Å; D111-P115 WeakPolarHBondContact O-CG 3.22Å
112L97Very high96.1Very high90 Ų9059.2 Ų59.247%0.47131%0.305SS..G310 helixtrans-70.4-20.1171.3-59.2178.2000113.2F81 H109 R110F81-L112 HydrophobicContact CE1-CB 4.03Å; F81-L112 HydrophobicContact CZ-CB 3.77Å; F81-L112 HydrophobicContact CZ-CD1 4.15Å; H109-L112 HydrophobicContact CB-CD1 4.01Å; H109-L112 HydrophobicContact CB-CG 4.45Å; H109-L112 VanDerWaalsContact O-CB 3.32Å; H109-L112 WeakPolarHBondContact O-CB 3.49Å; H109-L112 WeakPolarHBondContact O-CG 3.42Å; H109-L112 PolarHBondContact O-N 3.39Å; R110-L112 PolarHBondContact O-N 2.96Å
113V97.5Very high96.1Very high1 Ų159.4 Ų59.41%0.00631%0.306CS..THydrogen-bonded Turntrans-116.4-50.2-172.9-177.50000111.2F81 I85 I102 L105 R110 D111 P115 N116 L117F81-V113 HydrophobicContact CE1-CG2 3.94Å; F81-V113 HydrophobicContact CZ-CG2 3.9Å; I85-V113 HydrophobicContact CD1-CG1 4.45Å; I85-V113 HydrophobicContact CD1-CG2 4.39Å; I85-V113 HydrophobicContact CG1-CG2 4.48Å; I85-V113 HydrophobicContact CG2-CG1 3.95Å; I102-V113 HydrophobicContact CD1-CG1 4.17Å; I102-V113 HydrophobicContact CD1-CG2 4.12Å; L105-V113 HydrophobicContact CD2-CB 4.33Å; L105-V113 HydrophobicContact CD2-CG2 3.65Å; R110-V113 PolarHBondContact O-N 3.38Å; D111-V113 PolarHBondContact O-N 3.45Å; V113-P115 VanDerWaalsContact O-N 3.15Å; V113-N116 PolarHBondContact O-N 3.16Å; V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 HydrophobicContact CG1-CD2 3.67Å; V113-L117 HydrophobicContact CG1-CG 3.89Å
114L96.8Very high96.2Very high63 Ų6358.7 Ų58.733%0.3330%0.301SS..G310 helixtrans-48-43.7-172.8-71.4180000114.9R110 N116 L117 L122R110-L114 HydrophobicContact CB-CD1 4.11Å; R110-L114 HydrophobicContact CB-CG 4.2Å; R110-L114 HydrophobicContact CG-CD1 3.67Å; R110-L114 HydrophobicContact CG-CG 4.3Å; R110-L114 WeakPolarHBondContact O-CG 3.42Å; R110-L114 PolarHBondContact O-N 2.78Å; L114-N116 PolarHBondContact O-N 3.23Å; L114-L117 HydrophobicContact CD2-CD1 3.95Å; L114-L117 PolarHBondContact O-N 3.04Å; L114-L122 HydrophobicContact CD2-CB 3.99Å; L114-L122 HydrophobicContact CD2-CD2 3.99Å; L114-L122 HydrophobicContact CG-CD2 4.38Å
115P97.2Very high96.2Very high99 Ų9958 Ų5864%0.64330%0.297SS*.G310 helixtrans-60.6-17.5-177.8-25.136.1000114.8D111 V113D111-P115 WeakPolarHBondContact O-CD 3.42Å; D111-P115 VanDerWaalsContact O-CG 3.29Å; D111-P115 WeakPolarHBondContact O-CG 3.22Å; V113-P115 VanDerWaalsContact O-N 3.15Å
116N97.5Very high96.1Very high55 Ų5556.8 Ų56.829%0.29429%0.291SS..G310 helixtrans-107.4-3.9-175.5-63.7-64.8000113.8I85 K86 V89 V113 L114I85-N116 HydrophobicContact CB-CB 4.13Å; I85-N116 HydrophobicContact CG2-CB 3.66Å; K86-N116 HydrophobicContact CB-CB 4.23Å; V89-N116 WeakPolarHBondContact CG2-O 3.36Å; V113-N116 PolarHBondContact O-N 3.16Å; L114-N116 PolarHBondContact O-N 3.23Å
117L96.1Very high95.9Very high4 Ų454.8 Ų54.82%0.02128%0.278CS..  trans-79.1-19-168.8-71.7-176.4000116.1I85 V89 F100 V113 L114 D119 I120 L122I85-L117 HydrophobicContact CG2-CD2 4.21Å; V89-L117 HydrophobicContact CG2-CD2 4.08Å; F100-L117 HydrophobicContact CD2-CD2 3.58Å; F100-L117 HydrophobicContact CE2-CD2 3.61Å; V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 HydrophobicContact CG1-CD2 3.67Å; V113-L117 HydrophobicContact CG1-CG 3.89Å; L114-L117 HydrophobicContact CD2-CD1 3.95Å; L114-L117 PolarHBondContact O-N 3.04Å; L117-D119 PolarHBondContact O-N 3.19Å; L117-D119 VanDerWaalsContact O-N 3.08Å; L117-I120 HydrophobicContact CB-CB 4.49Å; L117-I120 WeakPolarHBondContact CB-O 3.26Å; L117-I120 HydrophobicContact CD2-CB 4.49Å; L117-I120 HydrophobicContact CD2-CG2 4.36Å; L117-I120 WeakPolarHBondContact O-CB 3.4Å; L117-I120 PolarHBondContact O-N 3.35Å; L117-L122 HydrophobicContact CD1-CB 3.72Å
118R94.6Very high95.2Very high135 Ų13554.2 Ų54.251%0.50928%0.277SS..THydrogen-bonded Turntrans51.3-113.6-171.9-69-178.4-101.4168.5-6.4111V89 E90V89-R118 HydrophobicContact CG1-CB 4.36Å; V89-R118 PolarHBondContact O-NH2 3.11Å; E90-R118 VanDerWaalsContact N-NH2 3.14Å
119D93.6Very high94.6Very high166 Ų16654.6 Ų54.689%0.88829%0.286SS*.THydrogen-bonded Turntrans-95.4-0.3-177.4-60.2-41.1000113.3L117L117-D119 PolarHBondContact O-N 3.19Å; L117-D119 VanDerWaalsContact O-N 3.08Å
120I97.5Very high94.3Very high17 Ų1751 Ų519%0.08727%0.271CS..  trans-77.5124176.5-63.7-174.1000109.6V89 L92 F100 L117V89-I120 HydrophobicContact CG1-CD1 4.15Å; V89-I120 HydrophobicContact CG2-CD1 4.22Å; L92-I120 HydrophobicContact CB-CD1 4.42Å; L92-I120 HydrophobicContact CD1-CD1 4.34Å; F100-I120 HydrophobicContact CD1-CG2 3.99Å; F100-I120 HydrophobicContact CD2-CG2 4.05Å; F100-I120 HydrophobicContact CE1-CD1 4.18Å; F100-I120 HydrophobicContact CE1-CG2 4.03Å; F100-I120 HydrophobicContact CE2-CG2 4.11Å; F100-I120 HydrophobicContact CG-CG2 3.98Å; F100-I120 HydrophobicContact CZ-CD1 3.86Å; F100-I120 HydrophobicContact CZ-CG2 4.09Å; L117-I120 HydrophobicContact CB-CB 4.49Å; L117-I120 WeakPolarHBondContact CB-O 3.26Å; L117-I120 HydrophobicContact CD2-CB 4.49Å; L117-I120 HydrophobicContact CD2-CG2 4.36Å; L117-I120 WeakPolarHBondContact O-CB 3.4Å; L117-I120 PolarHBondContact O-N 3.35Å
121A97.6Very high94.1Very high16 Ų1652 Ų5213%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-74140.1177.100000112Q98 G99 F100 L123 E143Q98-A121 PolarHBondContact O-N 3.42Å; G99-A121 CarbonylContact C-O 3.6Å; G99-A121 WeakPolarHBondContact CA-O 3.43Å; F100-A121 PolarHBondContact N-O 2.97Å; A121-L123 HydrophobicContact CB-CD1 4.11Å; A121-E143 HydrophobicContact CB-CB 4.02Å
122L98.1Very high93.9Very high21 Ų2150.7 Ų50.711%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-93.9102.3164.9-175.960.2000109.5F100 I102 L105 R110 L114 L117F100-L122 HydrophobicContact CB-CD1 4.34Å; I102-L122 HydrophobicContact CD1-CD1 3.93Å; I102-L122 HydrophobicContact CG1-CD1 4.13Å; L105-L122 HydrophobicContact CD2-CD2 4.14Å; R110-L122 HydrophobicContact CB-CD2 3.95Å; L114-L122 HydrophobicContact CD2-CB 3.99Å; L114-L122 HydrophobicContact CD2-CD2 3.99Å; L114-L122 HydrophobicContact CG-CD2 4.38Å; L117-L122 HydrophobicContact CD1-CB 3.72Å
123L97.7Very high93.8Very high13 Ų1352.4 Ų52.47%0.06828%0.284CS..PPolyproline II helixtrans-70.5139.6-175.3-78.476.9000111I72 F100 I101 A121 F145I72-L123 HydrophobicContact CD1-CD2 3.86Å; I72-L123 HydrophobicContact CG2-CD1 4.41Å; I72-L123 HydrophobicContact CG2-CD2 4.37Å; F100-L123 PolarHBondContact O-N 3.18Å; I101-L123 HydrophobicContact CD1-CD2 4.17Å; I101-L123 HydrophobicContact CG1-CB 3.71Å; I101-L123 HydrophobicContact CG1-CD2 4.05Å; I101-L123 HydrophobicContact CG1-CG 4.38Å; A121-L123 HydrophobicContact CB-CD1 4.11Å; L123-F145 HydrophobicContact CD2-CD1 3.68Å; L123-F145 HydrophobicContact CD2-CD2 4.08Å; L123-F145 HydrophobicContact CD2-CE1 3.29Å; L123-F145 HydrophobicContact CD2-CE2 3.71Å; L123-F145 HydrophobicContact CD2-CG 4.07Å; L123-F145 HydrophobicContact CD2-CZ 3.3Å
124T96.5Very high93.7Very high17 Ų1755.9 Ų55.910%0.10430%0.297CS..EExtended strand (participates in β ladder)trans-97.5125.8-174.5-640000111.5V126 L138 Y147T124-V126 HydrophobicContact CG2-CG2 4.25Å; T124-L138 HydrophobicContact CG2-CB 3.88Å; T124-L138 HydrophobicContact CG2-CD2 4.19Å; T124-L138 HydrophobicContact CG2-CG 4.49Å; T124-Y147 PolarHBondContact O-N 2.96Å
125L94.7Very high93.7Very high48 Ų4853 Ų5325%0.25128%0.282SS..EExtended strand (participates in β ladder)trans-89.7131172.4-70.5157.1000110.6I101 P103 Y147 V149I101-L125 HydrophobicContact CG2-CD1 3.93Å; I101-L125 HydrophobicContact CG2-CD2 4.43Å; I101-L125 HydrophobicContact CG2-CG 4.31Å; P103-L125 HydrophobicContact CB-CD1 4.33Å; L125-Y147 WeakPolarHBondContact CA-O 3.26Å; L125-Y147 HydrophobicContact CD2-CD1 4.03Å; L125-Y147 HydrophobicContact CD2-CG 3.88Å; L125-V149 HydrophobicContact CD2-CG1 3.6Å; L125-V149 HydrophobicContact CD2-CG2 4.16Å
126V93.6Very high93.6Very high0 Ų052 Ų520%027%0.267CS..EExtended strand (participates in β ladder)trans-123119174.9-177.70000109.6T124 I135 L138 I146 Y147 A148 V149 I172T124-V126 HydrophobicContact CG2-CG2 4.25Å; V126-I135 HydrophobicContact CG1-CG1 4.1Å; V126-L138 HydrophobicContact CG1-CD1 4.49Å; V126-L138 HydrophobicContact CG2-CB 4Å; V126-L138 HydrophobicContact CG2-CD1 3.94Å; V126-I146 HydrophobicContact CB-CG2 4.12Å; V126-I146 HydrophobicContact CG2-CG2 3.52Å; V126-Y147 PolarHBondContact N-O 3.48Å; V126-A148 WeakPolarHBondContact O-CA 3.45Å; V126-V149 PolarHBondContact O-N 2.96Å; V126-I172 HydrophobicContact CB-CD1 4.18Å; V126-I172 HydrophobicContact CG1-CD1 3.61Å; V126-I172 HydrophobicContact CG1-CG1 3.98Å
127S88.7Confident93.5Very high22 Ų2253.8 Ų53.815%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-78.9148.4177.4171.60000112T129 S130 V151 H168S127-T129 PolarHBondContact O-N 2.91Å; S127-T129 VanDerWaalsContact O-N 3.1Å; S127-T129 PolarHBondContact OG-N 3.32Å; S127-T129 PolarHBondContact OG-OG1 2.9Å; S127-S130 PolarHBondContact N-OG 3.05Å; S127-S130 VanDerWaalsContact O-CB 3.3Å; S127-S130 WeakPolarHBondContact O-CB 3.44Å; S127-S130 PolarHBondContact O-N 3.28Å; S127-S130 VanDerWaalsContact O-N 3.08Å; S127-S130 PolarHBondContact O-OG 3.03Å; S127-V151 WeakPolarHBondContact OG-CG2 3.43Å; S127-H168 PolarHBondContact O-NE2 3.14Å
128L80.6Confident93.5Very high23 Ų2353.9 Ų53.912%0.1227%0.273CS..THydrogen-bonded Turntrans-54-24168.8-66.6-169.9000114.7V149 T150 I154 F161 L165 H168 F184L128-V149 PolarHBondContact N-O 3.3Å; L128-T150 HydrophobicContact CD1-CG2 3.83Å; L128-T150 HydrophobicContact CG-CG2 4.46Å; L128-I154 HydrophobicContact CB-CD1 4.19Å; L128-I154 HydrophobicContact CD1-CD1 4.18Å; L128-F161 HydrophobicContact CD1-CE2 4.24Å; L128-F161 HydrophobicContact CD1-CZ 4.27Å; L128-L165 HydrophobicContact CD1-CD1 3.85Å; L128-L165 HydrophobicContact CD2-CD1 3.51Å; L128-L165 HydrophobicContact CG-CD1 4.26Å; L128-H168 WeakPolarHBondContact CA-NE2 3.36Å; L128-H168 HydrophobicContact CD2-CB 4.29Å; L128-H168 PolarHBondContact O-CE1 3.3Å; L128-H168 PolarHBondContact O-ND1 3.28Å; L128-H168 PolarHBondContact O-NE2 2.81Å; L128-F184 HydrophobicContact CD1-CD1 4.49Å; L128-F184 HydrophobicContact CD1-CE1 3.72Å; L128-F184 HydrophobicContact CD2-CE1 3.71Å; L128-F184 HydrophobicContact CD2-CZ 3.72Å; L128-F184 HydrophobicContact CG-CE1 3.75Å; L128-F184 HydrophobicContact CG-CZ 4.19Å
129T83.4Confident93.5Very high94 Ų9447.9 Ų47.958%0.57725%0.252SS*.THydrogen-bonded Turntrans-95.61.3-176.858.40000113S127 P131 I154S127-T129 PolarHBondContact O-N 2.91Å; S127-T129 VanDerWaalsContact O-N 3.1Å; S127-T129 PolarHBondContact OG-N 3.32Å; S127-T129 PolarHBondContact OG-OG1 2.9Å; T129-P131 WeakPolarHBondContact O-CD 3.46Å; T129-I154 HydrophobicContact CG2-CD1 4.15Å
130S89.1Confident93.6Very high20 Ų2043.5 Ų43.514%0.1424%0.238CC..  trans-66.9128.4-177.7-54.10000110.9S127 I135S127-S130 PolarHBondContact N-OG 3.05Å; S127-S130 VanDerWaalsContact O-CB 3.3Å; S127-S130 WeakPolarHBondContact O-CB 3.44Å; S127-S130 PolarHBondContact O-N 3.28Å; S127-S130 VanDerWaalsContact O-N 3.08Å; S127-S130 PolarHBondContact O-OG 3.03Å; S130-I135 WeakPolarHBondContact O-CD1 3.48Å
131P91.9Very high93.3Very high90 Ų9046.3 Ų46.358%0.58425%0.254SS*.  trans-60.7156.3171.5-23.533.6000112.1T129 E133 R134 I135T129-P131 WeakPolarHBondContact O-CD 3.46Å; P131-E133 VanDerWaalsContact C-N 3.3Å; P131-E133 PolarHBondContact O-N 2.68Å; P131-R134 WeakPolarHBondContact O-CA 3.35Å; P131-R134 VanDerWaalsContact O-CB 3.32Å; P131-R134 WeakPolarHBondContact O-CB 3.14Å; P131-R134 PolarHBondContact O-N 2.78Å; P131-I135 PolarHBondContact O-N 3.15Å
132I93Very high93.2Very high71 Ų7146.2 Ų46.236%0.36425%0.253SS..Hα-helixtrans-54-44.6-177.4-67.6176.4000112.4R134 I135 K136 F175I132-R134 VanDerWaalsContact C-N 3.28Å; I132-R134 PolarHBondContact O-N 3.16Å; I132-I135 WeakPolarHBondContact O-CB 3.39Å; I132-I135 PolarHBondContact O-N 3.1Å; I132-K136 HydrophobicContact CG2-CD 4.33Å; I132-K136 WeakPolarHBondContact O-CG 3.33Å; I132-K136 PolarHBondContact O-N 2.87Å; I132-F175 HydrophobicContact CG2-CE2 4.01Å; I132-F175 HydrophobicContact CG2-CZ 3.94Å
133E95.1Very high93.1Very high125 Ų12550 Ų5058%0.58427%0.27SS*.Hα-helixtrans-65.8-32.9179.1-61.6-51124.500112.2P131 K136 K137P131-E133 VanDerWaalsContact C-N 3.3Å; P131-E133 PolarHBondContact O-N 2.68Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 3.19Å; E133-K136 IonicContact OE2-NZ 3.77Å; E133-K137 WeakPolarHBondContact O-CB 3.48Å; E133-K137 PolarHBondContact O-N 2.84Å; E133-K137 VanDerWaalsContact O-N 3.1Å
134R95.1Very high93Very high75 Ų7551.9 Ų51.928%0.28329%0.293SS..Hα-helixtrans-67.4-44.7172.1-177.258.1167.3-164.7-2110.7E108 P131 I132 K137 L138E108-R134 VanDerWaalsContact CD-NH1 3.32Å; E108-R134 IonicContact OE1-CZ 3.62Å; E108-R134 IonicContact OE1-NH1 2.64Å; E108-R134 PolarHBondContact OE1-NH1 3.06Å; E108-R134 IonicContact OE1-NH2 3.72Å; E108-R134 IonicContact OE2-CZ 2.76Å; E108-R134 IonicContact OE2-NH1 2.89Å; E108-R134 PolarHBondContact OE2-NH1 3.24Å; E108-R134 IonicContact OE2-NH2 3.22Å; E108-R134 PolarHBondContact OE2-NH2 3.32Å; P131-R134 WeakPolarHBondContact O-CA 3.35Å; P131-R134 VanDerWaalsContact O-CB 3.32Å; P131-R134 WeakPolarHBondContact O-CB 3.14Å; P131-R134 PolarHBondContact O-N 2.78Å; I132-R134 VanDerWaalsContact C-N 3.28Å; I132-R134 PolarHBondContact O-N 3.16Å; R134-K137 PolarHBondContact O-N 3.17Å; R134-L138 HydrophobicContact CG-CD1 3.9Å; R134-L138 HydrophobicContact CG-CG 4.27Å; R134-L138 WeakPolarHBondContact O-CB 3.49Å; R134-L138 VanDerWaalsContact O-CG 3.24Å; R134-L138 WeakPolarHBondContact O-CG 3.3Å; R134-L138 PolarHBondContact O-N 3.27Å
135I95.1Very high93Very high1 Ų152.1 Ų52.11%0.00529%0.292CS..Hα-helixtrans-57.7-51.5177.2-64.5170.4000110.3V126 S130 P131 I132 K137 L138 T139 I172 F175V126-I135 HydrophobicContact CG1-CG1 4.1Å; S130-I135 WeakPolarHBondContact O-CD1 3.48Å; P131-I135 PolarHBondContact O-N 3.15Å; I132-I135 WeakPolarHBondContact O-CB 3.39Å; I132-I135 PolarHBondContact O-N 3.1Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 3.1Å; I135-T139 HydrophobicContact CG2-CG2 3.87Å; I135-T139 WeakPolarHBondContact O-CG2 3.47Å; I135-T139 PolarHBondContact O-N 3.18Å; I135-T139 PolarHBondContact O-OG1 3.32Å; I135-I172 HydrophobicContact CD1-CG1 4.22Å; I135-I172 HydrophobicContact CG2-CB 4.45Å; I135-I172 HydrophobicContact CG2-CG1 4.11Å; I135-F175 HydrophobicContact CG2-CB 4.44Å; I135-F175 HydrophobicContact CG2-CD2 3.94Å
136K95.9Very high93.1Very high78 Ų7849.8 Ų49.834%0.33928%0.28SS..Hα-helixtrans-56.2-43.7178.2-70.7173.5-176.9165.60112.3I132 E133 T139 A140 F175I132-K136 HydrophobicContact CG2-CD 4.33Å; I132-K136 WeakPolarHBondContact O-CG 3.33Å; I132-K136 PolarHBondContact O-N 2.87Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 3.19Å; E133-K136 IonicContact OE2-NZ 3.77Å; K136-T139 PolarHBondContact O-OG1 2.91Å; K136-A140 VanDerWaalsContact O-CB 3.29Å; K136-A140 WeakPolarHBondContact O-CB 3.32Å; K136-A140 PolarHBondContact O-N 2.85Å; K136-A140 VanDerWaalsContact O-N 3.11Å; K136-F175 HydrophobicContact CD-CE1 4.25Å; K136-F175 VanDerWaalsContact CE-CE1 3.48Å; K136-F175 HydrophobicContact CG-CD1 3.75Å; K136-F175 HydrophobicContact CG-CD2 4.34Å; K136-F175 HydrophobicContact CG-CE1 3.9Å; K136-F175 HydrophobicContact CG-CE2 4.46Å; K136-F175 HydrophobicContact CG-CG 3.99Å; K136-F175 HydrophobicContact CG-CZ 4.26Å
137K95.8Very high93.2Very high93 Ų9351 Ų5140%0.40429%0.285SS..Hα-helixtrans-62.9-45.3178.2-175-179.2-178.7-163.10111.6Y107 E108 E133 R134 I135Y107-K137 HydrophobicContact CE1-CD 4.14Å; Y107-K137 HydrophobicContact CE1-CG 4.11Å; E108-K137 IonicContact OE1-NZ 2.72Å; E108-K137 PolarHBondContact OE1-NZ 3.33Å; E133-K137 WeakPolarHBondContact O-CB 3.48Å; E133-K137 PolarHBondContact O-N 2.84Å; E133-K137 VanDerWaalsContact O-N 3.1Å; R134-K137 PolarHBondContact O-N 3.17Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.92Å
138L96Very high93.4Very high7 Ų750 Ų504%0.03728%0.278CS..Hα-helixtrans-67.7-42.5179.4-67.8176.9000111.9Y107 T124 V126 R134 I135Y107-L138 HydrophobicContact CD1-CD2 4.47Å; Y107-L138 HydrophobicContact CD2-CD2 3.35Å; Y107-L138 HydrophobicContact CE2-CD2 4.08Å; Y107-L138 HydrophobicContact CG-CD2 3.55Å; T124-L138 HydrophobicContact CG2-CB 3.88Å; T124-L138 HydrophobicContact CG2-CD2 4.19Å; T124-L138 HydrophobicContact CG2-CG 4.49Å; V126-L138 HydrophobicContact CG1-CD1 4.49Å; V126-L138 HydrophobicContact CG2-CB 4Å; V126-L138 HydrophobicContact CG2-CD1 3.94Å; R134-L138 HydrophobicContact CG-CD1 3.9Å; R134-L138 HydrophobicContact CG-CG 4.27Å; R134-L138 WeakPolarHBondContact O-CB 3.49Å; R134-L138 VanDerWaalsContact O-CG 3.24Å; R134-L138 WeakPolarHBondContact O-CG 3.3Å; R134-L138 PolarHBondContact O-N 3.27Å; I135-L138 PolarHBondContact O-N 3.1Å
139T95.5Very high93.6Very high8 Ų850.4 Ų50.45%0.04928%0.281CS..Hα-helixtrans-75.4-24.2-176.164.40000113.3I135 K136 I146 I172 F175I135-T139 HydrophobicContact CG2-CG2 3.87Å; I135-T139 WeakPolarHBondContact O-CG2 3.47Å; I135-T139 PolarHBondContact O-N 3.18Å; I135-T139 PolarHBondContact O-OG1 3.32Å; K136-T139 PolarHBondContact O-OG1 2.91Å; T139-I146 HydrophobicContact CG2-CD1 3.44Å; T139-I146 VanDerWaalsContact CG2-CD1 3.44Å; T139-I172 HydrophobicContact CG2-CG2 4.18Å; T139-F175 HydrophobicContact CG2-CB 4.38Å; T139-F175 PolarHBondContact OG1-O 3.46Å
140A94.7Very high93Very high74 Ų7447.6 Ų47.661%0.61226%0.264SS*.Hα-helixtrans-67.2-35.9-177.200000113.5K136K136-A140 VanDerWaalsContact O-CB 3.29Å; K136-A140 WeakPolarHBondContact O-CB 3.32Å; K136-A140 PolarHBondContact O-N 2.85Å; K136-A140 VanDerWaalsContact O-N 3.11Å
141D91Very high91.4Very high77 Ų7750.4 Ų50.441%0.41228%0.28SS..THydrogen-bonded Turntrans-110.511.6-175.8-56.6-24.7000112.7Y107 R110Y107-D141 PolarHBondContact OH-OD2 3.5Å; R110-D141 IonicContact CZ-OD2 2.82Å; R110-D141 VanDerWaalsContact CZ-OD2 3.29Å; R110-D141 IonicContact NH1-OD2 3.29Å; R110-D141 PolarHBondContact NH1-OD2 3.49Å; R110-D141 IonicContact NH2-OD2 2.83Å; R110-D141 PolarHBondContact NH2-OD2 3.34Å
142A95.7Very high89.3Confident14 Ų1451.3 Ų51.312%0.11628%0.28CS..  trans-73.8146-177.800000111.2I146 I178A142-I146 HydrophobicContact CB-CD1 3.94Å; A142-I146 HydrophobicContact CB-CG1 3.67Å; A142-I178 HydrophobicContact CB-CD1 3.64Å; A142-I178 HydrophobicContact CB-CG1 4.48Å; A142-I178 WeakPolarHBondContact O-CD1 3.48Å
143E95.2Very high86.9Confident101 Ų10151.5 Ų51.547%0.47230%0.299SS..  trans-125.8157.9178.1-62.5179.7115.200110.4A121 F145A121-E143 HydrophobicContact CB-CB 4.02Å; E143-F145 PolarHBondContact O-N 3.37Å
144G96.3Very high84.6Confident52 Ų5248.5 Ų48.554%0.53629%0.286SS..SBendtrans66.5-95.6-175.700000111.6
145F97.3Very high82.3Confident21 Ų2150 Ų509%0.09230%0.304CS..  trans-141.4159171.666.4-99.5000111.9I72 L123 E143 Y147 P179 L181I72-F145 HydrophobicContact CD1-CE1 3.49Å; I72-F145 VanDerWaalsContact CD1-CE1 3.49Å; I72-F145 HydrophobicContact CD1-CZ 3.95Å; L123-F145 HydrophobicContact CD2-CD1 3.68Å; L123-F145 HydrophobicContact CD2-CD2 4.08Å; L123-F145 HydrophobicContact CD2-CE1 3.29Å; L123-F145 HydrophobicContact CD2-CE2 3.71Å; L123-F145 HydrophobicContact CD2-CG 4.07Å; L123-F145 HydrophobicContact CD2-CZ 3.3Å; E143-F145 PolarHBondContact O-N 3.37Å; F145-Y147 HydrophobicContact CE2-CD1 4.28Å; F145-Y147 HydrophobicContact CE2-CG 4.28Å; F145-P179 WeakPolarHBondContact CA-O 3.43Å; F145-P179 HydrophobicContact CB-CB 4.27Å; F145-P179 WeakPolarHBondContact CB-O 3.42Å; F145-L181 HydrophobicContact CB-CD1 3.95Å; F145-L181 HydrophobicContact CD1-CD2 4.22Å; F145-L181 HydrophobicContact CD2-CB 3.94Å; F145-L181 HydrophobicContact CD2-CD1 4.19Å; F145-L181 HydrophobicContact CD2-CD2 3.86Å; F145-L181 HydrophobicContact CD2-CG 4.2Å; F145-L181 HydrophobicContact CE1-CD2 4.19Å; F145-L181 HydrophobicContact CE2-CB 4.17Å; F145-L181 HydrophobicContact CE2-CD2 3.87Å; F145-L181 HydrophobicContact CG-CD1 4.11Å; F145-L181 HydrophobicContact CG-CD2 4.04Å; F145-L181 HydrophobicContact CG-CG 4.49Å; F145-L181 HydrophobicContact CZ-CD2 4.04Å
146I96.9Very high80.1Confident0 Ų051.8 Ų51.80%032%0.322CS..EExtended strand (participates in β ladder)trans-90124.9172.2-60.3-175.8000109.1V126 T139 A142 I172 S176 I178 P179 V180 L181V126-I146 HydrophobicContact CB-CG2 4.12Å; V126-I146 HydrophobicContact CG2-CG2 3.52Å; T139-I146 HydrophobicContact CG2-CD1 3.44Å; T139-I146 VanDerWaalsContact CG2-CD1 3.44Å; A142-I146 HydrophobicContact CB-CD1 3.94Å; A142-I146 HydrophobicContact CB-CG1 3.67Å; I146-I172 HydrophobicContact CG2-CG2 4.15Å; I146-S176 VanDerWaalsContact CD1-OG 3.25Å; I146-S176 WeakPolarHBondContact CD1-OG 3.45Å; I146-I178 HydrophobicContact CD1-CG1 4.31Å; I146-I178 HydrophobicContact CG1-CD1 3.91Å; I146-I178 HydrophobicContact CG1-CG1 3.92Å; I146-P179 PolarHBondContact N-O 2.93Å; I146-V180 HydrophobicContact CB-CG2 4.28Å; I146-L181 PolarHBondContact O-N 3.12Å
147Y95.6Very high77.9Confident26 Ų2655.5 Ų55.510%0.10235%0.352CS..EExtended strand (participates in β ladder)trans-94.3102.8175.5-164.4160.4000109.6E26 I101 T124 L125 V126 F145 V149 V203E26-Y147 WeakPolarHBondContact OE1-CE1 3.39Å; I101-Y147 HydrophobicContact CD1-CD1 3.94Å; I101-Y147 HydrophobicContact CD1-CE1 4.4Å; T124-Y147 PolarHBondContact O-N 2.96Å; L125-Y147 WeakPolarHBondContact CA-O 3.26Å; L125-Y147 HydrophobicContact CD2-CD1 4.03Å; L125-Y147 HydrophobicContact CD2-CG 3.88Å; V126-Y147 PolarHBondContact N-O 3.48Å; F145-Y147 HydrophobicContact CE2-CD1 4.28Å; F145-Y147 HydrophobicContact CE2-CG 4.28Å; Y147-V149 HydrophobicContact CD2-CG1 3.4Å; Y147-V149 HydrophobicContact CE2-CG1 3.36Å; Y147-V149 HydrophobicContact CG-CG1 4.03Å; Y147-V203 HydrophobicContact CD1-CG2 4.46Å; Y147-V203 HydrophobicContact CD2-CG2 4.36Å; Y147-V203 HydrophobicContact CE1-CB 4.35Å; Y147-V203 HydrophobicContact CE1-CG1 4.07Å; Y147-V203 HydrophobicContact CE1-CG2 4.03Å; Y147-V203 HydrophobicContact CE2-CB 4.15Å; Y147-V203 HydrophobicContact CE2-CG2 3.96Å; Y147-V203 WeakPolarHBondContact OH-CG1 3.24Å
148A92.5Very high76.1Confident0 Ų053 Ų530%035%0.353CS..EExtended strand (participates in β ladder)trans-78.6120.3170.700000111.2V126 L169 I172 V180 L181 G183 F184V126-A148 WeakPolarHBondContact O-CA 3.45Å; A148-L169 HydrophobicContact CB-CD2 3.39Å; A148-I172 HydrophobicContact CB-CD1 4.01Å; A148-V180 HydrophobicContact CB-CG1 4.24Å; A148-L181 PolarHBondContact N-O 3.06Å; A148-G183 PolarHBondContact O-N 2.87Å; A148-G183 VanDerWaalsContact O-N 3.15Å; A148-F184 HydrophobicContact CB-CE2 4.24Å; A148-F184 HydrophobicContact CB-CZ 4.27Å; A148-F184 VanDerWaalsContact O-CE2 3.23Å; A148-F184 WeakPolarHBondContact O-CE2 3.47Å; A148-F184 WeakPolarHBondContact O-CZ 3.19Å
149V85.7Confident74.4Confident32 Ų3259.4 Ų59.419%0.19438%0.382CS..EExtended strand (participates in β ladder)trans-125.1151.4-173.3-68.20000112.9L125 V126 L128 Y147L125-V149 HydrophobicContact CD2-CG1 3.6Å; L125-V149 HydrophobicContact CD2-CG2 4.16Å; V126-V149 PolarHBondContact O-N 2.96Å; L128-V149 PolarHBondContact N-O 3.3Å; Y147-V149 HydrophobicContact CD2-CG1 3.4Å; Y147-V149 HydrophobicContact CE2-CG1 3.36Å; Y147-V149 HydrophobicContact CG-CG1 4.03Å
150T69.1Low72.9Confident35 Ų3564.9 Ų64.922%0.21541%0.411CS..PPolyproline II helixtrans-84.4139.6160.7550000110.5L128 F161 F184L128-T150 HydrophobicContact CD1-CG2 3.83Å; L128-T150 HydrophobicContact CG-CG2 4.46Å; T150-F161 HydrophobicContact CG2-CZ 4.4Å; T150-F184 HydrophobicContact CG2-CD1 3.17Å; T150-F184 HydrophobicContact CG2-CE1 3.24Å; T150-F184 HydrophobicContact CG2-CG 4.36Å
151V56.1Low71.7Confident79 Ų7963.8 Ų63.848%0.47939%0.393SS..PPolyproline II helixtrans-72.6140.2158-155.30000108S127 G153 I154S127-V151 WeakPolarHBondContact OG-CG2 3.43Å; V151-G153 PolarHBondContact O-N 3.43Å; V151-I154 HydrophobicContact CB-CD1 4.43Å; V151-I154 WeakPolarHBondContact O-CG1 3.44Å
152N46.9Very low70.7Confident108 Ų10865.1 Ų65.158%0.57839%0.392SS*.THydrogen-bonded Turntrans-51.8133174.1-77.4-33.3000110.6
153G43.7Very low69.8Low75 Ų7568.5 Ų68.577%0.77341%0.408SS*.THydrogen-bonded Turntrans107.8-11.117500000116.6V151V151-G153 PolarHBondContact O-N 3.43Å
154I46.9Very low69Low62 Ų6269.1 Ų69.132%0.31842%0.415SS..  trans-95.712174.233.3172.8000113.8L128 T129 V151 G156 F161L128-I154 HydrophobicContact CB-CD1 4.19Å; L128-I154 HydrophobicContact CD1-CD1 4.18Å; T129-I154 HydrophobicContact CG2-CD1 4.15Å; V151-I154 HydrophobicContact CB-CD1 4.43Å; V151-I154 WeakPolarHBondContact O-CG1 3.44Å; I154-G156 PolarHBondContact O-N 3Å; I154-F161 HydrophobicContact CB-CE2 4.33Å; I154-F161 VanDerWaalsContact O-CD2 3.24Å; I154-F161 WeakPolarHBondContact O-CD2 3.48Å; I154-F161 WeakPolarHBondContact O-CE2 3.25Å; I154-F161 VanDerWaalsContact O-CZ 3.26Å; I154-F161 WeakPolarHBondContact O-CZ 3.43Å
155T45.6Very low68.3Low108 Ų10867.1 Ų67.166%0.66339%0.392SS*.  trans-68.979.6174.454.20000110.7
156G48.8Very low67.7Low37 Ų3767.5 Ų67.538%0.38139%0.394SS..  trans-71.8125.4165.900000108.7I154 G158 F161I154-G156 PolarHBondContact O-N 3Å; G156-G158 PolarHBondContact O-N 3.11Å; G156-F161 WeakPolarHBondContact O-CD1 3.18Å
157T50.8Low67.2Low157 Ų15771.1 Ų71.196%0.96342%0.416SS*.  trans-8014.4174.647.30000112.7
158G57.8Low66.8Low40 Ų4070.8 Ų70.841%0.41242%0.416SS..SBendtrans-102.2160.6-174.900000114.2G156 D160 F161G156-G158 PolarHBondContact O-N 3.11Å; G158-D160 VanDerWaalsContact C-N 3.28Å; G158-D160 PolarHBondContact O-N 3.31Å; G158-F161 PolarHBondContact O-N 2.66Å
159Q59.9Low66.7Low142 Ų14270.8 Ų70.866%0.66442%0.416SS*.Hα-helixtrans-61.6-35.9176.6-162.5122.318.200112.3F161 R162 N163Q159-F161 PolarHBondContact O-N 2.87Å; Q159-R162 WeakPolarHBondContact O-CB 3.36Å; Q159-R162 PolarHBondContact O-N 3.49Å; Q159-N163 PolarHBondContact O-N 2.9Å
160D64.6Low66.9Low123 Ų12371.8 Ų71.866%0.65842%0.424SS*.Hα-helixtrans-63-42.7179.9-62-31000112G158 R162 N163 D164G158-D160 VanDerWaalsContact C-N 3.28Å; G158-D160 PolarHBondContact O-N 3.31Å; D160-R162 VanDerWaalsContact C-N 3.27Å; D160-R162 PolarHBondContact O-N 3.18Å; D160-N163 PolarHBondContact O-N 2.9Å; D160-N163 VanDerWaalsContact O-N 3.11Å; D160-D164 PolarHBondContact O-N 2.81Å
161F68.4Low68Low51 Ų5175.1 Ų75.122%0.22443%0.433CS..Hα-helixtrans-58.9-40.4175.3175-105.3000111.8L128 T150 I154 G156 G158 Q159 L165L128-F161 HydrophobicContact CD1-CE2 4.24Å; L128-F161 HydrophobicContact CD1-CZ 4.27Å; T150-F161 HydrophobicContact CG2-CZ 4.4Å; I154-F161 HydrophobicContact CB-CE2 4.33Å; I154-F161 VanDerWaalsContact O-CD2 3.24Å; I154-F161 WeakPolarHBondContact O-CD2 3.48Å; I154-F161 WeakPolarHBondContact O-CE2 3.25Å; I154-F161 VanDerWaalsContact O-CZ 3.26Å; I154-F161 WeakPolarHBondContact O-CZ 3.43Å; G156-F161 WeakPolarHBondContact O-CD1 3.18Å; G158-F161 PolarHBondContact O-N 2.66Å; Q159-F161 PolarHBondContact O-N 2.87Å; F161-L165 HydrophobicContact CE1-CD2 4.19Å; F161-L165 HydrophobicContact CZ-CD2 4.47Å; F161-L165 WeakPolarHBondContact O-CB 3.3Å; F161-L165 PolarHBondContact O-N 3Å
162R70.6Confident69.7Low105 Ų10571.3 Ų71.340%0.39641%0.41SS..Hα-helixtrans-64.4-42.9176.8-170.5-178.2-66.2169-2.3111Q159 D160 L165 M166Q159-R162 WeakPolarHBondContact O-CB 3.36Å; Q159-R162 PolarHBondContact O-N 3.49Å; D160-R162 VanDerWaalsContact C-N 3.27Å; D160-R162 PolarHBondContact O-N 3.18Å; R162-L165 WeakPolarHBondContact O-CB 3.36Å; R162-L165 PolarHBondContact O-N 3.01Å; R162-M166 HydrophobicContact CG-CG 4.44Å; R162-M166 WeakPolarHBondContact O-CB 3.32Å; R162-M166 WeakPolarHBondContact O-CG 3.47Å; R162-M166 PolarHBondContact O-N 2.83Å
163N76.2Confident72Confident85 Ų8569.6 Ų69.646%0.45540%0.397SS..Hα-helixtrans-65-43.2179-69.2-21.2000112.1Q159 D160 L165 M166 T167Q159-N163 PolarHBondContact O-N 2.9Å; D160-N163 PolarHBondContact O-N 2.9Å; D160-N163 VanDerWaalsContact O-N 3.11Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-M166 PolarHBondContact O-N 3.3Å; N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 3.08Å; N163-T167 PolarHBondContact O-OG1 3.1Å
164D78.8Confident74.4Confident114 Ų11470 Ų7061%0.6139%0.388SS*.Hα-helixtrans-62.9-43.7176.5-74.5-17.9000111.2D160 T167 H168D160-D164 PolarHBondContact O-N 2.81Å; D164-T167 PolarHBondContact O-N 3.08Å; D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 2.94Å
165L82.3Confident76.7Confident9 Ų970.5 Ų70.55%0.04739%0.388CS..Hα-helixtrans-57.7-51.4174.9171.354.7000111.6L128 F161 R162 N163 T167 H168 L169 F184 F195L128-L165 HydrophobicContact CD1-CD1 3.85Å; L128-L165 HydrophobicContact CD2-CD1 3.51Å; L128-L165 HydrophobicContact CG-CD1 4.26Å; F161-L165 HydrophobicContact CE1-CD2 4.19Å; F161-L165 HydrophobicContact CZ-CD2 4.47Å; F161-L165 WeakPolarHBondContact O-CB 3.3Å; F161-L165 PolarHBondContact O-N 3Å; R162-L165 WeakPolarHBondContact O-CB 3.36Å; R162-L165 PolarHBondContact O-N 3.01Å; N163-L165 VanDerWaalsContact C-N 3.35Å; L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 3.39Å; L165-H168 PolarHBondContact O-N 3.45Å; L165-L169 HydrophobicContact CD1-CD1 3.68Å; L165-L169 HydrophobicContact CD1-CD2 4.47Å; L165-L169 HydrophobicContact CD1-CG 3.88Å; L165-L169 HydrophobicContact CG-CD1 4.05Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.33Å; L165-F184 HydrophobicContact CD1-CD1 3.53Å; L165-F184 HydrophobicContact CD1-CD2 4.31Å; L165-F184 HydrophobicContact CD1-CE1 3.24Å; L165-F184 HydrophobicContact CD1-CE2 4.01Å; L165-F184 HydrophobicContact CD1-CG 4.13Å; L165-F184 HydrophobicContact CD1-CZ 3.51Å; L165-F184 HydrophobicContact CD2-CB 4.42Å; L165-F184 HydrophobicContact CD2-CD1 3.7Å; L165-F184 HydrophobicContact CD2-CE1 4.3Å; L165-F184 HydrophobicContact CD2-CG 4.02Å; L165-F184 HydrophobicContact CG-CD1 4.29Å; L165-F184 HydrophobicContact CG-CE1 4.42Å; L165-F195 HydrophobicContact CD1-CE1 4.43Å; L165-F195 HydrophobicContact CD2-CE1 3.61Å; L165-F195 HydrophobicContact CD2-CZ 3.75Å; L165-F195 HydrophobicContact CG-CE1 3.98Å
166M85.4Confident79.1Confident29 Ų2966.3 Ų66.314%0.14336%0.363CS..Hα-helixtrans-62.2-39.5-179.8-67.2-62.6-75.500112R162 N163 S170 N194 F195 Q197 V198R162-M166 HydrophobicContact CG-CG 4.44Å; R162-M166 WeakPolarHBondContact O-CB 3.32Å; R162-M166 WeakPolarHBondContact O-CG 3.47Å; R162-M166 PolarHBondContact O-N 2.83Å; N163-M166 PolarHBondContact O-N 3.3Å; M166-S170 WeakPolarHBondContact O-CB 3.45Å; M166-S170 PolarHBondContact O-N 3.22Å; M166-S170 PolarHBondContact O-OG 3.18Å; M166-N194 WeakPolarHBondContact CE-O 3.29Å; M166-F195 HydrophobicContact SD-CD1 4.33Å; M166-Q197 HydrophobicContact CE-CB 4.15Å; M166-V198 HydrophobicContact CB-CG1 4.36Å; M166-V198 HydrophobicContact CE-CB 4.03Å; M166-V198 HydrophobicContact CE-CG1 3.39Å; M166-V198 HydrophobicContact CE-CG2 3.46Å; M166-V198 VanDerWaalsContact CE-CG2 3.46Å; M166-V198 HydrophobicContact SD-CG1 4.33Å; M166-V198 HydrophobicContact SD-CG2 3.49Å; M166-V198 WeakPolarHBondContact SD-CG2 3.04Å
167T86.3Confident81.3Confident76 Ų7674.3 Ų74.347%0.46639%0.388SS..Hα-helixtrans-64.5-43.4175.8-58.70000111.2N163 D164 L165 S170 R171N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 3.08Å; N163-T167 PolarHBondContact O-OG1 3.1Å; D164-T167 PolarHBondContact O-N 3.08Å; L165-T167 VanDerWaalsContact C-N 3.31Å; L165-T167 PolarHBondContact O-N 3.39Å; T167-S170 PolarHBondContact O-N 2.98Å; T167-R171 WeakPolarHBondContact O-CB 3.46Å; T167-R171 PolarHBondContact O-N 3.39Å
168H86.2Confident83.5Confident20 Ų2069 Ų699%0.09335%0.353CS..Hα-helixtrans-68.3-42.5-179.9-166.781.8000112.3S127 L128 D164 L165 S170 R171 I172S127-H168 PolarHBondContact O-NE2 3.14Å; L128-H168 WeakPolarHBondContact CA-NE2 3.36Å; L128-H168 HydrophobicContact CD2-CB 4.29Å; L128-H168 PolarHBondContact O-CE1 3.3Å; L128-H168 PolarHBondContact O-ND1 3.28Å; L128-H168 PolarHBondContact O-NE2 2.81Å; D164-H168 WeakPolarHBondContact O-CB 3.47Å; D164-H168 PolarHBondContact O-N 2.94Å; L165-H168 PolarHBondContact O-N 3.45Å; H168-S170 VanDerWaalsContact C-N 3.34Å; H168-S170 PolarHBondContact O-N 3.23Å; H168-R171 WeakPolarHBondContact O-CA 3.48Å; H168-R171 WeakPolarHBondContact O-CB 3.22Å; H168-R171 PolarHBondContact O-N 2.94Å; H168-R171 VanDerWaalsContact O-N 3.09Å; H168-I172 VanDerWaalsContact CD2-CD1 3.48Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.23Å; H168-I172 WeakPolarHBondContact O-CG1 3.34Å; H168-I172 PolarHBondContact O-N 2.91Å
169L90.2Very high85.4Confident0 Ų070 Ų700%035%0.352CS..Hα-helixtrans-60-45.4174.7-71.1173.4000111.5A148 L165 R171 I172 K173 A182 F184 F195 V198A148-L169 HydrophobicContact CB-CD2 3.39Å; L165-L169 HydrophobicContact CD1-CD1 3.68Å; L165-L169 HydrophobicContact CD1-CD2 4.47Å; L165-L169 HydrophobicContact CD1-CG 3.88Å; L165-L169 HydrophobicContact CG-CD1 4.05Å; L165-L169 WeakPolarHBondContact O-CB 3.23Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.33Å; L169-R171 PolarHBondContact O-N 2.8Å; L169-I172 PolarHBondContact O-N 2.85Å; L169-K173 WeakPolarHBondContact O-CB 3.5Å; L169-K173 PolarHBondContact O-N 3.1Å; L169-A182 HydrophobicContact CD1-CB 4.22Å; L169-A182 HydrophobicContact CD2-CB 4.41Å; L169-F184 HydrophobicContact CD1-CE2 4.14Å; L169-F184 HydrophobicContact CD2-CE2 3.77Å; L169-F184 HydrophobicContact CD2-CZ 3.98Å; L169-F184 HydrophobicContact CG-CE2 4.45Å; L169-F195 HydrophobicContact CD1-CD1 3.59Å; L169-F195 HydrophobicContact CD1-CE1 3.74Å; L169-V198 HydrophobicContact CB-CB 4.23Å; L169-V198 HydrophobicContact CB-CG2 3.7Å; L169-V198 HydrophobicContact CD1-CG2 3.85Å; L169-V198 HydrophobicContact CG-CG2 4.44Å
170S90.7Very high87.1Confident53 Ų5363.3 Ų63.337%0.37132%0.321SS..Hα-helixtrans-58-38.1174.1-58.10000111.8M166 T167 H168 K173 S174 V198M166-S170 WeakPolarHBondContact O-CB 3.45Å; M166-S170 PolarHBondContact O-N 3.22Å; M166-S170 PolarHBondContact O-OG 3.18Å; T167-S170 PolarHBondContact O-N 2.98Å; H168-S170 VanDerWaalsContact C-N 3.34Å; H168-S170 PolarHBondContact O-N 3.23Å; S170-K173 PolarHBondContact O-N 3.36Å; S170-S174 PolarHBondContact O-N 3.27Å; S170-V198 WeakPolarHBondContact OG-CB 3.44Å; S170-V198 WeakPolarHBondContact OG-CG1 3.45Å
171R90.8Very high88.5Confident104 Ų10458.9 Ų58.939%0.39230%0.297SS..Hα-helixtrans-69.3-44.9178-172.6178.1-65.7157.4-0.2112.1T167 H168 L169 K173 S174 F175T167-R171 WeakPolarHBondContact O-CB 3.46Å; T167-R171 PolarHBondContact O-N 3.39Å; H168-R171 WeakPolarHBondContact O-CA 3.48Å; H168-R171 WeakPolarHBondContact O-CB 3.22Å; H168-R171 PolarHBondContact O-N 2.94Å; H168-R171 VanDerWaalsContact O-N 3.09Å; L169-R171 PolarHBondContact O-N 2.8Å; R171-K173 VanDerWaalsContact C-N 3.3Å; R171-K173 PolarHBondContact O-N 3.47Å; R171-S174 PolarHBondContact O-N 3.23Å; R171-S174 PolarHBondContact O-OG 2.94Å; R171-F175 HydrophobicContact CG-CD2 4.3Å; R171-F175 HydrophobicContact CG-CE2 3.81Å; R171-F175 WeakPolarHBondContact O-CD2 3.3Å; R171-F175 PolarHBondContact O-N 3.18Å
172I93.7Very high89.6Confident0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-57.8-48.4173.8-63.4168.3000109.3V126 I135 T139 I146 A148 H168 L169 S174 F175 S176 V180V126-I172 HydrophobicContact CB-CD1 4.18Å; V126-I172 HydrophobicContact CG1-CD1 3.61Å; V126-I172 HydrophobicContact CG1-CG1 3.98Å; I135-I172 HydrophobicContact CD1-CG1 4.22Å; I135-I172 HydrophobicContact CG2-CB 4.45Å; I135-I172 HydrophobicContact CG2-CG1 4.11Å; T139-I172 HydrophobicContact CG2-CG2 4.18Å; I146-I172 HydrophobicContact CG2-CG2 4.15Å; A148-I172 HydrophobicContact CB-CD1 4.01Å; H168-I172 VanDerWaalsContact CD2-CD1 3.48Å; H168-I172 WeakPolarHBondContact CD2-CD1 3.23Å; H168-I172 WeakPolarHBondContact O-CG1 3.34Å; H168-I172 PolarHBondContact O-N 2.91Å; L169-I172 PolarHBondContact O-N 2.85Å; I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.15Å; I172-F175 PolarHBondContact O-N 2.86Å; I172-S176 PolarHBondContact O-N 3.07Å; I172-S176 VanDerWaalsContact O-N 3.12Å; I172-V180 HydrophobicContact CB-CG1 4.5Å; I172-V180 HydrophobicContact CG2-CG1 3.92Å; I172-V180 HydrophobicContact CG2-CG2 4.11Å
173K93.3Very high90.4Very high72 Ų7252 Ų5231%0.31327%0.274SS..Hα-helixtrans-57.1-39.3178.1-168.6172.5-174.4169.50112.6L169 S170 R171 F175 S176 V180 V198 D200L169-K173 WeakPolarHBondContact O-CB 3.5Å; L169-K173 PolarHBondContact O-N 3.1Å; S170-K173 PolarHBondContact O-N 3.36Å; R171-K173 VanDerWaalsContact C-N 3.3Å; R171-K173 PolarHBondContact O-N 3.47Å; K173-F175 PolarHBondContact O-N 3.07Å; K173-S176 PolarHBondContact O-N 2.65Å; K173-V180 HydrophobicContact CB-CG2 4.29Å; K173-V198 WeakPolarHBondContact CD-O 3.43Å; K173-D200 WeakPolarHBondContact CE-OD1 3.1Å; K173-D200 WeakPolarHBondContact CE-OD2 3.44Å; K173-D200 IonicContact NZ-OD1 2.68Å; K173-D200 PolarHBondContact NZ-OD1 3.29Å; K173-D200 IonicContact NZ-OD2 3.8Å
174S94.8Very high90.5Very high83 Ų8349.1 Ų49.158%0.5826%0.257SS*.Hα-helixtrans-64.9-21.7177.672.70000115.1S170 R171 I172S170-S174 PolarHBondContact O-N 3.27Å; R171-S174 PolarHBondContact O-N 3.23Å; R171-S174 PolarHBondContact O-OG 2.94Å; I172-S174 VanDerWaalsContact C-N 3.28Å; I172-S174 PolarHBondContact O-N 3.15Å
175F95.3Very high90.5Very high72 Ų7246.6 Ų46.632%0.31626%0.258SS..Hα-helixtrans-100.9-7.8176.4-65-60.6000113.2I132 I135 K136 T139 R171 I172 K173I132-F175 HydrophobicContact CG2-CE2 4.01Å; I132-F175 HydrophobicContact CG2-CZ 3.94Å; I135-F175 HydrophobicContact CG2-CB 4.44Å; I135-F175 HydrophobicContact CG2-CD2 3.94Å; K136-F175 HydrophobicContact CD-CE1 4.25Å; K136-F175 VanDerWaalsContact CE-CE1 3.48Å; K136-F175 HydrophobicContact CG-CD1 3.75Å; K136-F175 HydrophobicContact CG-CD2 4.34Å; K136-F175 HydrophobicContact CG-CE1 3.9Å; K136-F175 HydrophobicContact CG-CE2 4.46Å; K136-F175 HydrophobicContact CG-CG 3.99Å; K136-F175 HydrophobicContact CG-CZ 4.26Å; T139-F175 HydrophobicContact CG2-CB 4.38Å; T139-F175 PolarHBondContact OG1-O 3.46Å; R171-F175 HydrophobicContact CG-CD2 4.3Å; R171-F175 HydrophobicContact CG-CE2 3.81Å; R171-F175 WeakPolarHBondContact O-CD2 3.3Å; R171-F175 PolarHBondContact O-N 3.18Å; I172-F175 PolarHBondContact O-N 2.86Å; K173-F175 PolarHBondContact O-N 3.07Å
176S95.4Very high90.4Very high21 Ų2146.3 Ų46.315%0.14726%0.256CS..  trans-91.6143.2-177.9-169.80000111.5I146 I172 K173 I178I146-S176 VanDerWaalsContact CD1-OG 3.25Å; I146-S176 WeakPolarHBondContact CD1-OG 3.45Å; I172-S176 PolarHBondContact O-N 3.07Å; I172-S176 VanDerWaalsContact O-N 3.12Å; K173-S176 PolarHBondContact O-N 2.65Å; S176-I178 PolarHBondContact OG-N 3.45Å; S176-I178 PolarHBondContact OG-O 3.5Å
177K95.8Very high90.3Very high205 Ų20547 Ų4789%0.89126%0.264SS*.SBendtrans-101-8.8168.7-61.6179.1-174.91720112.8
178I96.9Very high90.2Very high44 Ų4446 Ų4623%0.22626%0.257CS..SBendtrans-119.5165-178.866.6171.5000109.9A142 I146 S176 V180A142-I178 HydrophobicContact CB-CD1 3.64Å; A142-I178 HydrophobicContact CB-CG1 4.48Å; A142-I178 WeakPolarHBondContact O-CD1 3.48Å; I146-I178 HydrophobicContact CD1-CG1 4.31Å; I146-I178 HydrophobicContact CG1-CD1 3.91Å; I146-I178 HydrophobicContact CG1-CG1 3.92Å; S176-I178 PolarHBondContact OG-N 3.45Å; S176-I178 PolarHBondContact OG-O 3.5Å; I178-V180 PolarHBondContact O-N 3.12Å
179P97Very high90.3Very high63 Ų6349 Ų4941%0.40927%0.27SS..  trans-54.6139.7-179.9-27.636.9000113.1F145 I146 L181 D200F145-P179 WeakPolarHBondContact CA-O 3.43Å; F145-P179 HydrophobicContact CB-CB 4.27Å; F145-P179 WeakPolarHBondContact CB-O 3.42Å; I146-P179 PolarHBondContact N-O 2.93Å; P179-L181 HydrophobicContact CB-CD1 3.95Å; P179-D200 WeakPolarHBondContact CA-OD2 3.43Å; P179-D200 HydrophobicContact CB-CB 3.88Å
180V95.9Very high90.2Very high0 Ų054.5 Ų54.50%030%0.296CS..EExtended strand (participates in β ladder)trans-109120.9172.3-176.50000109.1I146 A148 I172 K173 I178 C199 D200 G201I146-V180 HydrophobicContact CB-CG2 4.28Å; A148-V180 HydrophobicContact CB-CG1 4.24Å; I172-V180 HydrophobicContact CB-CG1 4.5Å; I172-V180 HydrophobicContact CG2-CG1 3.92Å; I172-V180 HydrophobicContact CG2-CG2 4.11Å; K173-V180 HydrophobicContact CB-CG2 4.29Å; I178-V180 PolarHBondContact O-N 3.12Å; V180-C199 WeakPolarHBondContact O-CB 3.4Å; V180-D200 PolarHBondContact N-OD2 3.3Å; V180-D200 PolarHBondContact O-N 3.05Å; V180-G201 PolarHBondContact O-N 3.48Å
181L95.4Very high89.8Confident31 Ų3154.6 Ų54.616%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-108.4140.7-179.9-84.261.7000110.6F145 I146 A148 P179 G201 V203F145-L181 HydrophobicContact CB-CD1 3.95Å; F145-L181 HydrophobicContact CD1-CD2 4.22Å; F145-L181 HydrophobicContact CD2-CB 3.94Å; F145-L181 HydrophobicContact CD2-CD1 4.19Å; F145-L181 HydrophobicContact CD2-CD2 3.86Å; F145-L181 HydrophobicContact CD2-CG 4.2Å; F145-L181 HydrophobicContact CE1-CD2 4.19Å; F145-L181 HydrophobicContact CE2-CB 4.17Å; F145-L181 HydrophobicContact CE2-CD2 3.87Å; F145-L181 HydrophobicContact CG-CD1 4.11Å; F145-L181 HydrophobicContact CG-CD2 4.04Å; F145-L181 HydrophobicContact CG-CG 4.49Å; F145-L181 HydrophobicContact CZ-CD2 4.04Å; I146-L181 PolarHBondContact O-N 3.12Å; A148-L181 PolarHBondContact N-O 3.06Å; P179-L181 HydrophobicContact CB-CD1 3.95Å; L181-G201 WeakPolarHBondContact CA-O 3.37Å; L181-V203 HydrophobicContact CB-CG2 4.14Å; L181-V203 HydrophobicContact CD2-CG2 4.25Å
182A91.2Very high89.6Confident0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-105.8123.9-176.700000110.8L169 F184 I186 F195 C199 G201 V202 V203L169-A182 HydrophobicContact CD1-CB 4.22Å; L169-A182 HydrophobicContact CD2-CB 4.41Å; A182-F184 HydrophobicContact CB-CD2 3.57Å; A182-F184 HydrophobicContact CB-CE2 3.61Å; A182-I186 VanDerWaalsContact O-CD1 3.22Å; A182-I186 WeakPolarHBondContact O-CD1 3.3Å; A182-F195 HydrophobicContact CB-CB 4.35Å; A182-F195 HydrophobicContact CB-CD1 3.93Å; A182-F195 HydrophobicContact CB-CG 4.16Å; A182-C199 HydrophobicContact CB-CB 4.25Å; A182-G201 PolarHBondContact N-O 3.5Å; A182-G201 VanDerWaalsContact N-O 3.07Å; A182-V202 CarbonylContact O-C 3.49Å; A182-V202 WeakPolarHBondContact O-CA 3.21Å; A182-V203 PolarHBondContact O-N 2.85Å
183G87.6Confident89.4Confident12 Ų1255.8 Ų55.812%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-118.683.1172.800000112.6A148A148-G183 PolarHBondContact O-N 2.87Å; A148-G183 VanDerWaalsContact O-N 3.15Å
184F77.9Confident89Confident23 Ų2354.1 Ų54.110%0.10129%0.293CS..SBendtrans-121.553.3-171.1-64.6-91.9000111.9L128 A148 T150 L165 L169 A182 I186 F195L128-F184 HydrophobicContact CD1-CD1 4.49Å; L128-F184 HydrophobicContact CD1-CE1 3.72Å; L128-F184 HydrophobicContact CD2-CE1 3.71Å; L128-F184 HydrophobicContact CD2-CZ 3.72Å; L128-F184 HydrophobicContact CG-CE1 3.75Å; L128-F184 HydrophobicContact CG-CZ 4.19Å; A148-F184 HydrophobicContact CB-CE2 4.24Å; A148-F184 HydrophobicContact CB-CZ 4.27Å; A148-F184 VanDerWaalsContact O-CE2 3.23Å; A148-F184 WeakPolarHBondContact O-CE2 3.47Å; A148-F184 WeakPolarHBondContact O-CZ 3.19Å; T150-F184 HydrophobicContact CG2-CD1 3.17Å; T150-F184 HydrophobicContact CG2-CE1 3.24Å; T150-F184 HydrophobicContact CG2-CG 4.36Å; L165-F184 HydrophobicContact CD1-CD1 3.53Å; L165-F184 HydrophobicContact CD1-CD2 4.31Å; L165-F184 HydrophobicContact CD1-CE1 3.24Å; L165-F184 HydrophobicContact CD1-CE2 4.01Å; L165-F184 HydrophobicContact CD1-CG 4.13Å; L165-F184 HydrophobicContact CD1-CZ 3.51Å; L165-F184 HydrophobicContact CD2-CB 4.42Å; L165-F184 HydrophobicContact CD2-CD1 3.7Å; L165-F184 HydrophobicContact CD2-CE1 4.3Å; L165-F184 HydrophobicContact CD2-CG 4.02Å; L165-F184 HydrophobicContact CG-CD1 4.29Å; L165-F184 HydrophobicContact CG-CE1 4.42Å; L169-F184 HydrophobicContact CD1-CE2 4.14Å; L169-F184 HydrophobicContact CD2-CE2 3.77Å; L169-F184 HydrophobicContact CD2-CZ 3.98Å; L169-F184 HydrophobicContact CG-CE2 4.45Å; A182-F184 HydrophobicContact CB-CD2 3.57Å; A182-F184 HydrophobicContact CB-CE2 3.61Å; F184-I186 VanDerWaalsContact C-N 3.3Å; F184-I186 PolarHBondContact O-N 3.36Å; F184-F195 HydrophobicContact CB-CE1 4.12Å; F184-F195 HydrophobicContact CB-CE2 4.01Å; F184-F195 HydrophobicContact CB-CZ 3.47Å; F184-F195 VanDerWaalsContact CB-CZ 3.47Å; F184-F195 HydrophobicContact CD2-CD1 4.46Å; F184-F195 AromaticContact CD2-CE1 3.86Å; F184-F195 HydrophobicContact CD2-CE1 3.86Å; F184-F195 HydrophobicContact CD2-CZ 4.07Å; F184-F195 HydrophobicContact CG-CE1 4.02Å; F184-F195 AromaticContact CG-CZ 3.88Å; F184-F195 HydrophobicContact CG-CZ 3.88Å
185G77.6Confident88.6Confident61 Ų6151 Ų5163%0.62927%0.27SS*.  trans59.241.8178.800000113S187G185-S187 PolarHBondContact O-N 3.15Å
186I81.1Confident88.3Confident4 Ų453.3 Ų53.32%0.02128%0.281CS..  trans-71122.6-173.4-61.3174.5000108.8A182 F184 H191 I192 F195 V202 I204A182-I186 VanDerWaalsContact O-CD1 3.22Å; A182-I186 WeakPolarHBondContact O-CD1 3.3Å; F184-I186 VanDerWaalsContact C-N 3.3Å; F184-I186 PolarHBondContact O-N 3.36Å; I186-H191 HydrophobicContact CG2-CB 4.14Å; I186-I192 HydrophobicContact CG2-CD1 4.27Å; I186-I192 HydrophobicContact CG2-CG1 3.55Å; I186-F195 HydrophobicContact CD1-CD2 3.66Å; I186-F195 HydrophobicContact CD1-CE2 4.02Å; I186-F195 HydrophobicContact CD1-CG 4.39Å; I186-F195 HydrophobicContact CG1-CD2 3.88Å; I186-F195 HydrophobicContact CG1-CE2 3.81Å; I186-V202 HydrophobicContact CD1-CB 3.44Å; I186-V202 VanDerWaalsContact CD1-CB 3.44Å; I186-V202 HydrophobicContact CD1-CG1 3.49Å; I186-V202 VanDerWaalsContact CD1-CG1 3.49Å; I186-I204 HydrophobicContact CB-CG1 4.36Å; I186-I204 HydrophobicContact CG2-CD1 4.45Å; I186-I204 HydrophobicContact CG2-CG1 4.11Å
187S83.5Confident88Confident44 Ų4459.1 Ų59.131%0.30831%0.306SS..  trans-143.2-5.8-171.565.60000114.3G185G185-S187 PolarHBondContact O-N 3.15Å
188T83.9Confident87.7Confident53 Ų5350.1 Ų50.133%0.32527%0.268SS..SBendtrans-137.5155.2-177.770.40000110.3E190 H191 I192T188-E190 PolarHBondContact O-N 3.1Å; T188-H191 WeakPolarHBondContact O-CB 3.38Å; T188-H191 PolarHBondContact O-N 2.98Å; T188-H191 VanDerWaalsContact O-N 3.17Å; T188-H191 PolarHBondContact OG1-CD2 3.18Å; T188-H191 VanDerWaalsContact OG1-CG 3.32Å; T188-H191 PolarHBondContact OG1-N 3.28Å; T188-I192 PolarHBondContact O-N 2.96Å
189K89.1Confident87.5Confident83 Ų8348.2 Ų48.236%0.36126%0.259SS..Hα-helixtrans-57.8-34.6173.6-174.6171.9-173.4168.80112.8I192 K193 R229K189-I192 PolarHBondContact O-N 2.68Å; K189-K193 WeakPolarHBondContact O-CG 3.46Å; K189-K193 PolarHBondContact O-N 3.04Å; K189-R229 WeakPolarHBondContact CE-O 3.17Å; K189-R229 WeakPolarHBondContact CE-OXT 3.43Å; K189-R229 PolarHBondContact NZ-O 3.31Å; K189-R229 PolarHBondContact NZ-OXT 3.18Å
190E86.7Confident87.4Confident116 Ų11649.1 Ų49.154%0.54226%0.26SS..Hα-helixtrans-65.1-41.6177-168.8-173.1159.100111.8T188 I192 K193 N194T188-E190 PolarHBondContact O-N 3.1Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.35Å; E190-K193 PolarHBondContact O-N 3.42Å; E190-N194 VanDerWaalsContact O-CG 3.25Å; E190-N194 PolarHBondContact O-N 3.3Å; E190-N194 PolarHBondContact O-ND2 3.24Å
191H83.7Confident87.3Confident56 Ų5649.9 Ų49.926%0.25927%0.268SS..Hα-helixtrans-58.2-45.9174.8-67.8179.6000110.7I186 T188 N194 F195I186-H191 HydrophobicContact CG2-CB 4.14Å; T188-H191 WeakPolarHBondContact O-CB 3.38Å; T188-H191 PolarHBondContact O-N 2.98Å; T188-H191 VanDerWaalsContact O-N 3.17Å; T188-H191 PolarHBondContact OG1-CD2 3.18Å; T188-H191 VanDerWaalsContact OG1-CG 3.32Å; T188-H191 PolarHBondContact OG1-N 3.28Å; H191-N194 PolarHBondContact O-N 3.25Å; H191-F195 HydrophobicContact CB-CD2 4.42Å; H191-F195 HydrophobicContact CB-CE2 4.31Å; H191-F195 WeakPolarHBondContact O-CD2 3.25Å; H191-F195 PolarHBondContact O-N 3.22Å
192I86Confident87.1Confident9 Ų950 Ų505%0.04627%0.27CS..Hα-helixtrans-59.7-50.7178.8-62.7-175000111I186 T188 K189 E190 N194 F195 Q196 V202 I204 I227 L228I186-I192 HydrophobicContact CG2-CD1 4.27Å; I186-I192 HydrophobicContact CG2-CG1 3.55Å; T188-I192 PolarHBondContact O-N 2.96Å; K189-I192 PolarHBondContact O-N 2.68Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.35Å; I192-N194 PolarHBondContact O-N 2.92Å; I192-F195 PolarHBondContact O-N 2.67Å; I192-Q196 HydrophobicContact CG2-CG 4.09Å; I192-Q196 WeakPolarHBondContact O-CB 3.45Å; I192-Q196 VanDerWaalsContact O-CG 3.31Å; I192-Q196 WeakPolarHBondContact O-CG 3.26Å; I192-Q196 PolarHBondContact O-N 3.33Å; I192-V202 HydrophobicContact CD1-CG2 4.38Å; I192-V202 HydrophobicContact CG1-CG2 4.24Å; I192-V202 HydrophobicContact CG2-CG2 4.34Å; I192-I204 HydrophobicContact CD1-CD1 4.05Å; I192-I227 HydrophobicContact CD1-CG2 3.36Å; I192-I227 HydrophobicContact CG1-CG2 4.35Å; I192-L228 HydrophobicContact CD1-CD2 3.84Å
193K88.3Confident87.3Confident119 Ų11950.8 Ų50.852%0.51728%0.275SS..Hα-helixtrans-57.1-37.4178.5-76.1-177.1175.7-175.60112.8K189 E190K189-K193 WeakPolarHBondContact O-CG 3.46Å; K189-K193 PolarHBondContact O-N 3.04Å; E190-K193 PolarHBondContact O-N 3.42Å
194N85Confident87.5Confident37 Ų3751.3 Ų51.320%0.19828%0.275CS..Hα-helixtrans-68.5-51.5177.2-68.3-24.4000110.6M166 E190 H191 I192 Q196 Q197M166-N194 WeakPolarHBondContact CE-O 3.29Å; E190-N194 VanDerWaalsContact O-CG 3.25Å; E190-N194 PolarHBondContact O-N 3.3Å; E190-N194 PolarHBondContact O-ND2 3.24Å; H191-N194 PolarHBondContact O-N 3.25Å; I192-N194 PolarHBondContact O-N 2.92Å; N194-Q196 VanDerWaalsContact C-N 3.33Å; N194-Q196 PolarHBondContact O-N 3.33Å; N194-Q197 WeakPolarHBondContact O-CB 3.37Å; N194-Q197 PolarHBondContact O-N 2.89Å; N194-Q197 VanDerWaalsContact O-N 3.15Å
195F87.2Confident88.3Confident18 Ų1851.8 Ų51.88%0.07929%0.286CS..Hα-helixtrans-64.9-33.9-178.3-72.7-61.4000113.8L165 M166 L169 A182 F184 I186 H191 I192 Q197 V198 C199 V202L165-F195 HydrophobicContact CD1-CE1 4.43Å; L165-F195 HydrophobicContact CD2-CE1 3.61Å; L165-F195 HydrophobicContact CD2-CZ 3.75Å; L165-F195 HydrophobicContact CG-CE1 3.98Å; M166-F195 HydrophobicContact SD-CD1 4.33Å; L169-F195 HydrophobicContact CD1-CD1 3.59Å; L169-F195 HydrophobicContact CD1-CE1 3.74Å; A182-F195 HydrophobicContact CB-CB 4.35Å; A182-F195 HydrophobicContact CB-CD1 3.93Å; A182-F195 HydrophobicContact CB-CG 4.16Å; F184-F195 HydrophobicContact CB-CE1 4.12Å; F184-F195 HydrophobicContact CB-CE2 4.01Å; F184-F195 HydrophobicContact CB-CZ 3.47Å; F184-F195 VanDerWaalsContact CB-CZ 3.47Å; F184-F195 HydrophobicContact CD2-CD1 4.46Å; F184-F195 AromaticContact CD2-CE1 3.86Å; F184-F195 HydrophobicContact CD2-CE1 3.86Å; F184-F195 HydrophobicContact CD2-CZ 4.07Å; F184-F195 HydrophobicContact CG-CE1 4.02Å; F184-F195 AromaticContact CG-CZ 3.88Å; F184-F195 HydrophobicContact CG-CZ 3.88Å; I186-F195 HydrophobicContact CD1-CD2 3.66Å; I186-F195 HydrophobicContact CD1-CE2 4.02Å; I186-F195 HydrophobicContact CD1-CG 4.39Å; I186-F195 HydrophobicContact CG1-CD2 3.88Å; I186-F195 HydrophobicContact CG1-CE2 3.81Å; H191-F195 HydrophobicContact CB-CD2 4.42Å; H191-F195 HydrophobicContact CB-CE2 4.31Å; H191-F195 WeakPolarHBondContact O-CD2 3.25Å; H191-F195 PolarHBondContact O-N 3.22Å; I192-F195 PolarHBondContact O-N 2.67Å; F195-Q197 PolarHBondContact O-N 3.45Å; F195-Q197 VanDerWaalsContact O-N 3.07Å; F195-V198 PolarHBondContact O-N 3.09Å; F195-C199 WeakPolarHBondContact O-CB 3.01Å; F195-C199 PolarHBondContact O-N 3.01Å; F195-V202 HydrophobicContact CB-CG1 3.74Å; F195-V202 HydrophobicContact CG-CG1 4.47Å
196Q88.5Confident89Confident120 Ų12051.2 Ų51.256%0.56127%0.272SS*.THydrogen-bonded Turntrans-60.8-16.7176.1-77.8178.3-29.300113.7I192 N194 V198I192-Q196 HydrophobicContact CG2-CG 4.09Å; I192-Q196 WeakPolarHBondContact O-CB 3.45Å; I192-Q196 VanDerWaalsContact O-CG 3.31Å; I192-Q196 WeakPolarHBondContact O-CG 3.26Å; I192-Q196 PolarHBondContact O-N 3.33Å; N194-Q196 VanDerWaalsContact C-N 3.33Å; N194-Q196 PolarHBondContact O-N 3.33Å; Q196-V198 VanDerWaalsContact C-N 3.31Å
197Q89.2Confident89.5Confident143 Ų14354.8 Ų54.867%0.66829%0.288SS*.THydrogen-bonded Turntrans-74.5-22.1175.1-62.3173.418.300112.9M166 N194 F195M166-Q197 HydrophobicContact CE-CB 4.15Å; N194-Q197 WeakPolarHBondContact O-CB 3.37Å; N194-Q197 PolarHBondContact O-N 2.89Å; N194-Q197 VanDerWaalsContact O-N 3.15Å; F195-Q197 PolarHBondContact O-N 3.45Å; F195-Q197 VanDerWaalsContact O-N 3.07Å
198V90Very high90.1Very high16 Ų1654 Ų5410%0.09728%0.28CS..THydrogen-bonded Turntrans-131.5-3.7-171.4-61.20000114M166 L169 S170 K173 F195 Q196M166-V198 HydrophobicContact CB-CG1 4.36Å; M166-V198 HydrophobicContact CE-CB 4.03Å; M166-V198 HydrophobicContact CE-CG1 3.39Å; M166-V198 HydrophobicContact CE-CG2 3.46Å; M166-V198 VanDerWaalsContact CE-CG2 3.46Å; M166-V198 HydrophobicContact SD-CG1 4.33Å; M166-V198 HydrophobicContact SD-CG2 3.49Å; M166-V198 WeakPolarHBondContact SD-CG2 3.04Å; L169-V198 HydrophobicContact CB-CB 4.23Å; L169-V198 HydrophobicContact CB-CG2 3.7Å; L169-V198 HydrophobicContact CD1-CG2 3.85Å; L169-V198 HydrophobicContact CG-CG2 4.44Å; S170-V198 WeakPolarHBondContact OG-CB 3.44Å; S170-V198 WeakPolarHBondContact OG-CG1 3.45Å; K173-V198 WeakPolarHBondContact CD-O 3.43Å; F195-V198 PolarHBondContact O-N 3.09Å; Q196-V198 VanDerWaalsContact C-N 3.31Å
199C92.1Very high90.7Very high4 Ų452.1 Ų52.13%0.02727%0.268CS..SBendtrans-133.6166.2179.3-70.80000110.4V180 A182 F195V180-C199 WeakPolarHBondContact O-CB 3.4Å; A182-C199 HydrophobicContact CB-CB 4.25Å; F195-C199 WeakPolarHBondContact O-CB 3.01Å; F195-C199 PolarHBondContact O-N 3.01Å
200D94.8Very high91Very high83 Ų8349.2 Ų49.244%0.44426%0.258SS..SBendtrans-91.2-16.2178.8-56.3-62.1000111.9K173 P179 V180K173-D200 WeakPolarHBondContact CE-OD1 3.1Å; K173-D200 WeakPolarHBondContact CE-OD2 3.44Å; K173-D200 IonicContact NZ-OD1 2.68Å; K173-D200 PolarHBondContact NZ-OD1 3.29Å; K173-D200 IonicContact NZ-OD2 3.8Å; P179-D200 WeakPolarHBondContact CA-OD2 3.43Å; P179-D200 HydrophobicContact CB-CB 3.88Å; V180-D200 PolarHBondContact N-OD2 3.3Å; V180-D200 PolarHBondContact O-N 3.05Å
201G93.7Very high91.5Very high16 Ų1644 Ų4417%0.16523%0.234CC..EExtended strand (participates in β ladder)trans-169.4-174.8176.300000113.1V180 L181 A182V180-G201 PolarHBondContact O-N 3.48Å; L181-G201 WeakPolarHBondContact CA-O 3.37Å; A182-G201 PolarHBondContact N-O 3.5Å; A182-G201 VanDerWaalsContact N-O 3.07Å
202V92.8Very high92.2Very high33 Ų3342.1 Ų42.120%0.223%0.226CC..EExtended strand (participates in β ladder)trans-136.6145.7-175.5-69.30000110.8A182 I186 I192 F195A182-V202 CarbonylContact O-C 3.49Å; A182-V202 WeakPolarHBondContact O-CA 3.21Å; I186-V202 HydrophobicContact CD1-CB 3.44Å; I186-V202 VanDerWaalsContact CD1-CB 3.44Å; I186-V202 HydrophobicContact CD1-CG1 3.49Å; I186-V202 VanDerWaalsContact CD1-CG1 3.49Å; I192-V202 HydrophobicContact CD1-CG2 4.38Å; I192-V202 HydrophobicContact CG1-CG2 4.24Å; I192-V202 HydrophobicContact CG2-CG2 4.34Å; F195-V202 HydrophobicContact CB-CG1 3.74Å; F195-V202 HydrophobicContact CG-CG1 4.47Å
203V93.7Very high92.7Very high16 Ų1646.3 Ų46.310%0.09725%0.246CC..  trans-107.4126.5172.3-175.20000109.3Y147 L181 A182Y147-V203 HydrophobicContact CD1-CG2 4.46Å; Y147-V203 HydrophobicContact CD2-CG2 4.36Å; Y147-V203 HydrophobicContact CE1-CB 4.35Å; Y147-V203 HydrophobicContact CE1-CG1 4.07Å; Y147-V203 HydrophobicContact CE1-CG2 4.03Å; Y147-V203 HydrophobicContact CE2-CB 4.15Å; Y147-V203 HydrophobicContact CE2-CG2 3.96Å; Y147-V203 WeakPolarHBondContact OH-CG1 3.24Å; L181-V203 HydrophobicContact CB-CG2 4.14Å; L181-V203 HydrophobicContact CD2-CG2 4.25Å; A182-V203 PolarHBondContact O-N 2.85Å
204I93.3Very high93.1Very high24 Ų2449.2 Ų49.212%0.12325%0.253CS..  trans-114.189.7-178.4-51.8179.1000109.1I186 I192 K207 I208 L224 I227 L228I186-I204 HydrophobicContact CB-CG1 4.36Å; I186-I204 HydrophobicContact CG2-CD1 4.45Å; I186-I204 HydrophobicContact CG2-CG1 4.11Å; I192-I204 HydrophobicContact CD1-CD1 4.05Å; I204-K207 HydrophobicContact CG2-CB 3.93Å; I204-I208 HydrophobicContact CB-CD1 4.15Å; I204-I208 HydrophobicContact CB-CG1 4.44Å; I204-I208 HydrophobicContact CG2-CD1 4.15Å; I204-I208 HydrophobicContact CG2-CG1 3.91Å; I204-I208 WeakPolarHBondContact O-CD1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; I204-L224 HydrophobicContact CD1-CD2 4.49Å; I204-I227 HydrophobicContact CD1-CG2 4.41Å; I204-L228 HydrophobicContact CD1-CD2 4.26Å
205G93.7Very high93.7Very high33 Ų3352 Ų5234%0.3427%0.265SS..  trans-89.8-81.9179.800000113.4K207 I208 V209G205-K207 PolarHBondContact O-N 3.03Å; G205-I208 PolarHBondContact O-N 3.46Å; G205-V209 PolarHBondContact O-N 2.92Å; G205-V209 VanDerWaalsContact O-N 3.1Å
206S91.8Very high94.2Very high48 Ų4852.6 Ų52.634%0.33628%0.276SS..Hα-helixtrans-54.5-33-169.3-580000114.8S210S206-S210 WeakPolarHBondContact O-CB 3.05Å; S206-S210 PolarHBondContact O-N 3.01Å
207K92.2Very high94.6Very high80 Ų8047.6 Ų47.635%0.34825%0.254SS..Hα-helixtrans-66.1-44.9178.3-178.863.4173.3-179.20111.6I204 G205 S211 I227I204-K207 HydrophobicContact CG2-CB 3.93Å; G205-K207 PolarHBondContact O-N 3.03Å; K207-S211 VanDerWaalsContact O-CB 3.23Å; K207-S211 WeakPolarHBondContact O-CB 3.48Å; K207-S211 PolarHBondContact O-N 3.25Å; K207-I227 HydrophobicContact CG-CD1 4.24Å
208I96.4Very high95Very high27 Ų2748.3 Ų48.314%0.13826%0.257CS..Hα-helixtrans-65.6-51.1177.4-64.1-179.7000109.6L17 I204 G205 S210 S211 L212 T220 L224L17-I208 HydrophobicContact CD2-CD1 3.77Å; L17-I208 HydrophobicContact CD2-CG2 4.25Å; I204-I208 HydrophobicContact CB-CD1 4.15Å; I204-I208 HydrophobicContact CB-CG1 4.44Å; I204-I208 HydrophobicContact CG2-CD1 4.15Å; I204-I208 HydrophobicContact CG2-CG1 3.91Å; I204-I208 WeakPolarHBondContact O-CD1 3.3Å; I204-I208 WeakPolarHBondContact O-CG1 3.37Å; G205-I208 PolarHBondContact O-N 3.46Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 2.99Å; I208-S211 WeakPolarHBondContact O-CB 3.37Å; I208-S211 PolarHBondContact O-N 2.91Å; I208-L212 HydrophobicContact CG2-CD1 3.9Å; I208-L212 HydrophobicContact CG2-CG 4.28Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 3.07Å; I208-T220 HydrophobicContact CG2-CG2 4.22Å; I208-L224 HydrophobicContact CD1-CD1 3.95Å; I208-L224 HydrophobicContact CD1-CD2 3.99Å; I208-L224 HydrophobicContact CG1-CD1 4.11Å; I208-L224 HydrophobicContact CG1-CD2 3.85Å; I208-L224 HydrophobicContact CG1-CG 4.39Å
209V96.6Very high95.4Very high14 Ų1452 Ų529%0.08527%0.272CS..Hα-helixtrans-59.5-43.1-177.9173.40000112.1T40 I41 A44 G205 S211 E213T40-V209 HydrophobicContact CG2-CB 4.41Å; T40-V209 HydrophobicContact CG2-CG1 4.19Å; I41-V209 HydrophobicContact CD1-CB 4.06Å; I41-V209 HydrophobicContact CD1-CG1 4.23Å; I41-V209 HydrophobicContact CD1-CG2 3.75Å; A44-V209 HydrophobicContact CB-CG1 3.42Å; A44-V209 VanDerWaalsContact CB-CG1 3.42Å; G205-V209 PolarHBondContact O-N 2.92Å; G205-V209 VanDerWaalsContact O-N 3.1Å; V209-S211 VanDerWaalsContact C-N 3.34Å; V209-E213 PolarHBondContact O-N 3.2Å
210S95.8Very high95.6Very high21 Ų2151.9 Ų51.915%0.14727%0.271CS..Hα-helixtrans-68.4-33175.3177.10000112.7S206 I208 R214S206-S210 WeakPolarHBondContact O-CB 3.05Å; S206-S210 PolarHBondContact O-N 3.01Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 2.99Å; S210-R214 WeakPolarHBondContact O-CG 3.45Å; S210-R214 PolarHBondContact O-N 3.25Å; S210-R214 PolarHBondContact OG-NE 3.33Å; S210-R214 PolarHBondContact OG-NH1 3.01Å
211S96.8Very high95.8Very high6 Ų648.1 Ų48.14%0.04225%0.252CS..Hα-helixtrans-72-45.9179.4-1730000111.2K207 I208 V209 E213 R214 Q215 T220 I223K207-S211 VanDerWaalsContact O-CB 3.23Å; K207-S211 WeakPolarHBondContact O-CB 3.48Å; K207-S211 PolarHBondContact O-N 3.25Å; I208-S211 WeakPolarHBondContact O-CB 3.37Å; I208-S211 PolarHBondContact O-N 2.91Å; V209-S211 VanDerWaalsContact C-N 3.34Å; S211-E213 PolarHBondContact O-N 3.32Å; S211-R214 PolarHBondContact O-N 3.17Å; S211-R214 VanDerWaalsContact O-N 3.14Å; S211-Q215 WeakPolarHBondContact O-CA 3.48Å; S211-Q215 WeakPolarHBondContact O-CB 3.48Å; S211-Q215 PolarHBondContact O-N 3.4Å; S211-T220 VanDerWaalsContact CB-OG1 3.3Å; S211-T220 WeakPolarHBondContact CB-OG1 2.84Å; S211-T220 WeakPolarHBondContact OG-CA 3.42Å; S211-T220 WeakPolarHBondContact OG-CB 3.48Å; S211-T220 PolarHBondContact OG-OG1 2.91Å; S211-I223 WeakPolarHBondContact OG-CD1 3.18Å
212L98Very high95.9Very high18 Ų1852 Ų529%0.09427%0.266CS..Hα-helixtrans-57.4-38.9176.1-72.5172.3000111.9E13 M16 I208 G216 T220E13-L212 HydrophobicContact CG-CD1 4.38Å; E13-L212 HydrophobicContact CG-CD2 4.08Å; M16-L212 HydrophobicContact CE-CD2 4.18Å; I208-L212 HydrophobicContact CG2-CD1 3.9Å; I208-L212 HydrophobicContact CG2-CG 4.28Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 3.07Å; L212-G216 PolarHBondContact O-N 3.34Å; L212-T220 HydrophobicContact CD2-CG2 4.16Å; L212-T220 HydrophobicContact CG-CG2 4.17Å; L212-T220 PolarHBondContact N-OG1 3.21Å
213E96.9Very high96Very high97 Ų9751.5 Ų51.545%0.45326%0.262SS..Hα-helixtrans-63.5-44.8176.5-175.9-107.5152.600113V209 S211V209-E213 PolarHBondContact O-N 3.2Å; S211-E213 PolarHBondContact O-N 3.32Å
214R97Very high96.1Very high179 Ų17951 Ų5168%0.67526%0.258SS*.Hα-helixtrans-93.1-27-170-62.4178.2-169.4166.7-0.8114.1S210 S211S210-R214 WeakPolarHBondContact O-CG 3.45Å; S210-R214 PolarHBondContact O-N 3.25Å; S210-R214 PolarHBondContact OG-NE 3.33Å; S210-R214 PolarHBondContact OG-NH1 3.01Å; S211-R214 PolarHBondContact O-N 3.17Å; S211-R214 VanDerWaalsContact O-N 3.14Å
215Q96.9Very high96.1Very high96 Ų9650.9 Ų50.945%0.44926%0.261SS..Hα-helixtrans-132.9-9.1-163.7-48.3-170.7700113.4S211 K219S211-Q215 WeakPolarHBondContact O-CA 3.48Å; S211-Q215 WeakPolarHBondContact O-CB 3.48Å; S211-Q215 PolarHBondContact O-N 3.4Å; Q215-K219 HydrophobicContact CB-CB 3.76Å; Q215-K219 HydrophobicContact CB-CG 3.8Å; Q215-K219 HydrophobicContact CG-CG 4.46Å; Q215-K219 WeakPolarHBondContact O-CB 3.31Å
216G97.4Very high96Very high30 Ų3056.3 Ų56.331%0.30928%0.277SS..Hα-helixtrans74.7-178.9-179.400000114.1L212 T220L212-G216 PolarHBondContact O-N 3.34Å; G216-T220 WeakPolarHBondContact O-CB 3.35Å; G216-T220 PolarHBondContact O-N 2.68Å; G216-T220 VanDerWaalsContact O-N 3.16Å; G216-T220 PolarHBondContact O-OG1 3.41Å
217T98Very high95.8Very high15 Ų1554.6 Ų54.69%0.09226%0.264CS..Hα-helixtrans-64.1-53.1-170.6-39.60000112.9E12 E13 M16 K219 T220 G221E12-T217 HydrophobicContact CG-CG2 4.11Å; E12-T217 WeakPolarHBondContact OE1-CB 3.42Å; E12-T217 PolarHBondContact OE1-OG1 2.62Å; E13-T217 HydrophobicContact CG-CG2 4.41Å; M16-T217 HydrophobicContact CB-CG2 3.61Å; M16-T217 HydrophobicContact CE-CG2 4.27Å; M16-T217 HydrophobicContact CG-CG2 3.92Å; T217-K219 PolarHBondContact O-N 3.31Å; T217-T220 WeakPolarHBondContact O-CB 3.47Å; T217-T220 PolarHBondContact O-N 2.72Å; T217-T220 VanDerWaalsContact O-N 3.15Å; T217-G221 PolarHBondContact O-N 2.94Å
218E97.5Very high95.6Very high158 Ų15854.4 Ų54.474%0.73827%0.267SS*.Hα-helixtrans-56.7-52.9-175.8-178.3179.1-162.300111.3T220 G221 E222E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 2.94Å; E218-G221 WeakPolarHBondContact O-CA 3.24Å; E218-G221 PolarHBondContact O-N 3.35Å; E218-E222 PolarHBondContact O-N 3.32Å; E218-E222 VanDerWaalsContact O-N 3.12Å
219K97.7Very high94.9Very high94 Ų9462.8 Ų62.841%0.40930%0.297SS..Hα-helixtrans-66.6-31.1-179.1-166.767.8-169.1169.80112.7Q215 T217 G221 E222 I223Q215-K219 HydrophobicContact CB-CB 3.76Å; Q215-K219 HydrophobicContact CB-CG 3.8Å; Q215-K219 HydrophobicContact CG-CG 4.46Å; Q215-K219 WeakPolarHBondContact O-CB 3.31Å; T217-K219 PolarHBondContact O-N 3.31Å; K219-G221 VanDerWaalsContact C-N 3.34Å; K219-E222 VanDerWaalsContact CD-OE2 3.3Å; K219-E222 WeakPolarHBondContact CD-OE2 3.26Å; K219-E222 WeakPolarHBondContact CE-OE2 3.16Å; K219-E222 IonicContact NZ-OE2 2.65Å; K219-E222 PolarHBondContact NZ-OE2 2.96Å; K219-E222 PolarHBondContact O-N 3.21Å; K219-I223 WeakPolarHBondContact O-CG1 3.5Å; K219-I223 PolarHBondContact O-N 2.8Å; K219-I223 VanDerWaalsContact O-N 3.07Å
220T97.9Very high94.9Very high1 Ų165.3 Ų65.31%0.00631%0.307CS..Hα-helixtrans-65.2-39.9172.8-600000111.5M16 I208 S211 L212 G216 T217 E218 E222 I223 L224M16-T220 HydrophobicContact CE-CG2 3.84Å; I208-T220 HydrophobicContact CG2-CG2 4.22Å; S211-T220 VanDerWaalsContact CB-OG1 3.3Å; S211-T220 WeakPolarHBondContact CB-OG1 2.84Å; S211-T220 WeakPolarHBondContact OG-CA 3.42Å; S211-T220 WeakPolarHBondContact OG-CB 3.48Å; S211-T220 PolarHBondContact OG-OG1 2.91Å; L212-T220 HydrophobicContact CD2-CG2 4.16Å; L212-T220 HydrophobicContact CG-CG2 4.17Å; L212-T220 PolarHBondContact N-OG1 3.21Å; G216-T220 WeakPolarHBondContact O-CB 3.35Å; G216-T220 PolarHBondContact O-N 2.68Å; G216-T220 VanDerWaalsContact O-N 3.16Å; G216-T220 PolarHBondContact O-OG1 3.41Å; T217-T220 WeakPolarHBondContact O-CB 3.47Å; T217-T220 PolarHBondContact O-N 2.72Å; T217-T220 VanDerWaalsContact O-N 3.15Å; E218-T220 VanDerWaalsContact C-N 3.27Å; E218-T220 PolarHBondContact O-N 2.94Å; T220-E222 PolarHBondContact O-N 2.83Å; T220-I223 PolarHBondContact O-N 3.38Å; T220-L224 HydrophobicContact CG2-CD1 4.35Å; T220-L224 WeakPolarHBondContact O-CG 3.49Å; T220-L224 PolarHBondContact O-N 3.39Å
221G97.7Very high94.8Very high4 Ų467.6 Ų67.64%0.04132%0.316CS..Hα-helixtrans-58.6-45.1172.800000112.4M16 T217 E218 K219 I223 L224 A225M16-G221 VanDerWaalsContact SD-CA 3.53Å; T217-G221 PolarHBondContact O-N 2.94Å; E218-G221 WeakPolarHBondContact O-CA 3.24Å; E218-G221 PolarHBondContact O-N 3.35Å; K219-G221 VanDerWaalsContact C-N 3.34Å; G221-I223 PolarHBondContact O-N 3.15Å; G221-L224 PolarHBondContact O-N 3Å; G221-A225 PolarHBondContact O-N 2.87Å
222E96.7Very high94.7Very high98 Ų9871 Ų7146%0.45833%0.331SS..Hα-helixtrans-60.6-43.9175.7-65.1-179.8-17400112.7E218 K219 T220 L224 A225 E226E218-E222 PolarHBondContact O-N 3.32Å; E218-E222 VanDerWaalsContact O-N 3.12Å; K219-E222 VanDerWaalsContact CD-OE2 3.3Å; K219-E222 WeakPolarHBondContact CD-OE2 3.26Å; K219-E222 WeakPolarHBondContact CE-OE2 3.16Å; K219-E222 IonicContact NZ-OE2 2.65Å; K219-E222 PolarHBondContact NZ-OE2 2.96Å; K219-E222 PolarHBondContact O-N 3.21Å; T220-E222 PolarHBondContact O-N 2.83Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 3.48Å; E222-A225 WeakPolarHBondContact O-CB 3.16Å; E222-A225 PolarHBondContact O-N 3.22Å; E222-E226 PolarHBondContact O-N 3.11Å; E222-E226 VanDerWaalsContact O-N 3.1Å
223I94.4Very high94.5Very high22 Ų2274.1 Ų74.111%0.11335%0.345CS..Hα-helixtrans-62.5-41.9177.4-74.6168000110.9S211 K219 T220 G221 E226 I227S211-I223 WeakPolarHBondContact OG-CD1 3.18Å; K219-I223 WeakPolarHBondContact O-CG1 3.5Å; K219-I223 PolarHBondContact O-N 2.8Å; K219-I223 VanDerWaalsContact O-N 3.07Å; T220-I223 PolarHBondContact O-N 3.38Å; G221-I223 PolarHBondContact O-N 3.15Å; I223-E226 PolarHBondContact O-N 3.36Å; I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 VanDerWaalsContact O-CG1 3.3Å; I223-I227 WeakPolarHBondContact O-CG1 3.49Å; I223-I227 PolarHBondContact O-N 3.26Å; I223-I227 VanDerWaalsContact O-N 3.1Å
224L95.3Very high94.4Very high6 Ų672.7 Ų72.73%0.03134%0.338CS..Hα-helixtrans-66.1-40177.2-75.5177.7000111.5M16 L17 Q20 I204 I208 T220 G221 E222 E226 I227 L228M16-L224 HydrophobicContact CE-CD1 4.46Å; M16-L224 HydrophobicContact SD-CD1 3.91Å; L17-L224 HydrophobicContact CD2-CD1 3.63Å; Q20-L224 HydrophobicContact CB-CB 4.23Å; Q20-L224 HydrophobicContact CG-CB 3.93Å; Q20-L224 HydrophobicContact CG-CD1 4.43Å; I204-L224 HydrophobicContact CD1-CD2 4.49Å; I208-L224 HydrophobicContact CD1-CD1 3.95Å; I208-L224 HydrophobicContact CD1-CD2 3.99Å; I208-L224 HydrophobicContact CG1-CD1 4.11Å; I208-L224 HydrophobicContact CG1-CD2 3.85Å; I208-L224 HydrophobicContact CG1-CG 4.39Å; T220-L224 HydrophobicContact CG2-CD1 4.35Å; T220-L224 WeakPolarHBondContact O-CG 3.49Å; T220-L224 PolarHBondContact O-N 3.39Å; G221-L224 PolarHBondContact O-N 3Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 3.48Å; L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.4Å; L224-I227 PolarHBondContact O-N 3.4Å; L224-I227 VanDerWaalsContact O-N 3.15Å; L224-L228 HydrophobicContact CB-CD1 4.35Å; L224-L228 VanDerWaalsContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CB 3.02Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.06Å
225A93.8Very high94.2Very high21 Ų2165.6 Ų65.617%0.17432%0.316CS..Hα-helixtrans-57.2-42.3174.300000111.8G221 E222 R229G221-A225 PolarHBondContact O-N 2.87Å; E222-A225 WeakPolarHBondContact O-CB 3.16Å; E222-A225 PolarHBondContact O-N 3.22Å; A225-R229 VanDerWaalsContact O-CB 3.25Å; A225-R229 WeakPolarHBondContact O-CB 3.4Å; A225-R229 WeakPolarHBondContact O-CG 3.44Å; A225-R229 PolarHBondContact O-N 2.94Å
226E91.5Very high94Very high147 Ų14763.4 Ų63.469%0.68731%0.306SS*.Hα-helixtrans-66.6-37177.3-172.4-174.3172.500112.7E222 I223 L224E222-E226 PolarHBondContact O-N 3.11Å; E222-E226 VanDerWaalsContact O-N 3.1Å; I223-E226 PolarHBondContact O-N 3.36Å; L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.4Å
227I88.5Confident93.7Very high12 Ų1266 Ų666%0.06231%0.306CS..Hα-helixtrans-75.2-36.3-179.2-69.5168.9000111.2I192 I204 K207 I223 L224I192-I227 HydrophobicContact CD1-CG2 3.36Å; I192-I227 HydrophobicContact CG1-CG2 4.35Å; I204-I227 HydrophobicContact CD1-CG2 4.41Å; K207-I227 HydrophobicContact CG-CD1 4.24Å; I223-I227 HydrophobicContact CG2-CD1 3.73Å; I223-I227 VanDerWaalsContact O-CG1 3.3Å; I223-I227 WeakPolarHBondContact O-CG1 3.49Å; I223-I227 PolarHBondContact O-N 3.26Å; I223-I227 VanDerWaalsContact O-N 3.1Å; L224-I227 PolarHBondContact O-N 3.4Å; L224-I227 VanDerWaalsContact O-N 3.15Å
228L88.1Confident93.4Very high77 Ų7770.3 Ų70.340%0.40332%0.324SS..Hα-helixtrans-93.1-28.5-171.6-64.6172000114.5Q20 I192 I204 L224Q20-L228 HydrophobicContact CB-CD1 4.25Å; Q20-L228 WeakPolarHBondContact O-CD1 3.5Å; I192-L228 HydrophobicContact CD1-CD2 3.84Å; I204-L228 HydrophobicContact CD1-CD2 4.26Å; L224-L228 HydrophobicContact CB-CD1 4.35Å; L224-L228 VanDerWaalsContact O-CB 3.29Å; L224-L228 WeakPolarHBondContact O-CB 3.02Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.37Å; L224-L228 PolarHBondContact O-N 3.06Å
229R81.6Confident93Very high203 Ų20362.3 Ų62.377%0.76629%0.286SS*.  trans-99.10-180-57.6178.3-175.9177.72.4111K189 A225K189-R229 WeakPolarHBondContact CE-O 3.17Å; K189-R229 WeakPolarHBondContact CE-OXT 3.43Å; K189-R229 PolarHBondContact NZ-O 3.31Å; K189-R229 PolarHBondContact NZ-OXT 3.18Å; A225-R229 VanDerWaalsContact O-CB 3.25Å; A225-R229 WeakPolarHBondContact O-CB 3.4Å; A225-R229 WeakPolarHBondContact O-CG 3.44Å; A225-R229 PolarHBondContact O-N 2.94Å

Retrieved 229 of 229 residues in 184.4 ms (Link to these results)

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