A0A077ZAX5_TRITR Loading...

NAD(P)H-hydrate epimerase

AlphaFold DB , UniProt , Accession A0A077ZAX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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
1M85.6Confident97Very high203 Ų20352.7 Ų52.7100%126%0.256SS*.  0141.80-173.7-179-7000107N207M1-N207 VanDerWaalsContact O-CB 3.27Å; M1-N207 WeakPolarHBondContact O-CB 3.49Å
2V95.3Very high97.1Very high19 Ų1954.3 Ų54.312%0.11526%0.262CS..PPolyproline II helixtrans-59.2138.5176.364.20000110.1Y4 P177 N207 L208 L220V2-Y4 HydrophobicContact CG1-CE2 4.2Å; V2-P177 HydrophobicContact CG1-CG 3.89Å; V2-P177 HydrophobicContact CG2-CG 4.18Å; V2-N207 WeakPolarHBondContact CA-O 3.41Å; V2-L208 HydrophobicContact CG2-CD2 4.03Å; V2-L220 HydrophobicContact CG1-CD1 4.2Å; V2-L220 HydrophobicContact CG1-CD2 4.35Å
3K97.3Very high97.2Very high57 Ų5750.3 Ų50.325%0.24824%0.243CC..PPolyproline II helixtrans-73.5139.7176.6-178.8178.2171.5-179.30109.8L5 E9 Y204 E205 L206K3-L5 HydrophobicContact CD-CD2 4.47Å; K3-E9 VanDerWaalsContact CE-OE1 3.22Å; K3-E9 WeakPolarHBondContact CE-OE1 3.43Å; K3-E9 IonicContact NZ-OE1 3.52Å; K3-E9 PolarHBondContact NZ-OE1 3.32Å; K3-Y204 WeakPolarHBondContact CD-O 3.37Å; K3-Y204 PolarHBondContact NZ-O 2.65Å; K3-E205 WeakPolarHBondContact CB-O 3.2Å; K3-E205 WeakPolarHBondContact CD-O 3.4Å; K3-L206 WeakPolarHBondContact CB-O 3.14Å; K3-L206 PolarHBondContact N-O 3.28Å
4Y98.2Very high97.3Very high45 Ų4549.7 Ų49.718%0.17624%0.242CC..PPolyproline II helixtrans-95.9128.8171.8-74.4-117.7000108.7V2 P177 K178 A181 Q182V2-Y4 HydrophobicContact CG1-CE2 4.2Å; Y4-P177 CarbonylContact C-O 3.59Å; Y4-P177 VanDerWaalsContact CA-O 3.31Å; Y4-P177 WeakPolarHBondContact CA-O 3.33Å; Y4-P177 HydrophobicContact CD1-CB 3.82Å; Y4-P177 HydrophobicContact CD1-CG 4.08Å; Y4-P177 HydrophobicContact CD2-CG 3.99Å; Y4-P177 HydrophobicContact CE1-CB 3.76Å; Y4-P177 HydrophobicContact CE1-CG 4.09Å; Y4-P177 HydrophobicContact CE2-CG 3.99Å; Y4-P177 HydrophobicContact CG-CB 4.26Å; Y4-P177 HydrophobicContact CG-CG 4.03Å; Y4-K178 WeakPolarHBondContact CD1-O 3.47Å; Y4-A181 HydrophobicContact CD1-CB 4.18Å; Y4-A181 HydrophobicContact CE1-CB 3.76Å; Y4-Q182 HydrophobicContact CD1-CG 3.39Å; Y4-Q182 HydrophobicContact CE1-CB 4.48Å; Y4-Q182 HydrophobicContact CE1-CG 3.62Å; Y4-Q182 HydrophobicContact CG-CG 3.93Å
5L98.7Very high97.3Very high2 Ų253.1 Ų53.11%0.0126%0.257CS..BIsolated β-bridgetrans-88.6134.4-174.8-61.5-176000111.4K3 E9 A10 I13 A176 P177 K178 L179 L206K3-L5 HydrophobicContact CD-CD2 4.47Å; L5-E9 HydrophobicContact CB-CB 4.32Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; L5-A10 HydrophobicContact CB-CB 4.42Å; L5-A10 HydrophobicContact CD1-CB 4.36Å; L5-I13 HydrophobicContact CD1-CD1 3.56Å; L5-I13 HydrophobicContact CD2-CD1 3.94Å; L5-I13 HydrophobicContact CG-CD1 4.4Å; L5-A176 HydrophobicContact CD1-CB 3.72Å; L5-A176 HydrophobicContact CG-CB 3.89Å; L5-P177 PolarHBondContact N-O 2.81Å; L5-K178 CarbonylContact O-C 3.35Å; L5-K178 VanDerWaalsContact O-CA 3.26Å; L5-K178 WeakPolarHBondContact O-CA 3.27Å; L5-L179 PolarHBondContact O-N 3.37Å; L5-L206 HydrophobicContact CD2-CD2 3.6Å; L5-L206 HydrophobicContact CG-CD2 4.45Å
6N98.6Very high97.4Very high53 Ų5350.9 Ų50.928%0.28325%0.246SC..PPolyproline II helixtrans-71.1166.5160.772.556.4000110.3Q8 E9 A10 N157 L179N6-Q8 VanDerWaalsContact C-N 3.28Å; N6-Q8 PolarHBondContact O-N 3.17Å; N6-Q8 WeakPolarHBondContact OD1-CA 3.34Å; N6-Q8 WeakPolarHBondContact OD1-CB 3.47Å; N6-Q8 PolarHBondContact OD1-N 3.14Å; N6-E9 PolarHBondContact N-OE2 2.9Å; N6-E9 VanDerWaalsContact ND2-CD 3.34Å; N6-E9 WeakPolarHBondContact ND2-CG 3.42Å; N6-E9 PolarHBondContact ND2-OE2 3.42Å; N6-E9 VanDerWaalsContact ND2-OE2 3.12Å; N6-E9 PolarHBondContact O-N 3.12Å; N6-E9 PolarHBondContact OD1-N 3.02Å; N6-A10 PolarHBondContact O-N 3.18Å; N6-N157 WeakPolarHBondContact CA-OD1 3.18Å; N6-N157 WeakPolarHBondContact CB-OD1 3.26Å; N6-L179 HydrophobicContact CB-CD1 3.63Å; N6-L179 HydrophobicContact CB-CG 4.39Å
7Q98.6Very high97.5Very high28 Ų2847.9 Ų47.913%0.13123%0.231CC..Hα-helixtrans-57.3-41-178.1-179.6164.958.500113A10 I11 F120 F122 V156 N157Q7-A10 PolarHBondContact O-N 2.8Å; Q7-I11 HydrophobicContact CG-CD1 3.87Å; Q7-I11 VanDerWaalsContact O-CG1 3.31Å; Q7-I11 WeakPolarHBondContact O-CG1 3.36Å; Q7-I11 PolarHBondContact O-N 3.47Å; Q7-F120 WeakPolarHBondContact CG-O 3.44Å; Q7-F120 PolarHBondContact NE2-O 2.89Å; Q7-F122 PolarHBondContact NE2-O 3.21Å; Q7-V156 HydrophobicContact CB-CB 3.95Å; Q7-V156 HydrophobicContact CB-CG1 3.67Å; Q7-V156 HydrophobicContact CG-CB 4.33Å; Q7-V156 HydrophobicContact CG-CG1 4.18Å; Q7-N157 PolarHBondContact N-OD1 2.76Å
8Q98.6Very high97.4Very high102 Ų10247.6 Ų47.648%0.47723%0.229SC..Hα-helixtrans-66.3-45.3-178-177.359.636.600110.7N6 A10 I11 E12N6-Q8 VanDerWaalsContact C-N 3.28Å; N6-Q8 PolarHBondContact O-N 3.17Å; N6-Q8 WeakPolarHBondContact OD1-CA 3.34Å; N6-Q8 WeakPolarHBondContact OD1-CB 3.47Å; N6-Q8 PolarHBondContact OD1-N 3.14Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.32Å; Q8-I11 PolarHBondContact O-N 3.23Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.38Å; Q8-E12 PolarHBondContact NE2-OE1 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.3Å; Q8-E12 PolarHBondContact O-N 3Å
9E98.7Very high97.5Very high34 Ų3450.6 Ų50.616%0.15925%0.247CC..Hα-helixtrans-60.2-42.3175.3-69.4174.4130.400111.7K3 L5 N6 I11 E12 I13K3-E9 VanDerWaalsContact CE-OE1 3.22Å; K3-E9 WeakPolarHBondContact CE-OE1 3.43Å; K3-E9 IonicContact NZ-OE1 3.52Å; K3-E9 PolarHBondContact NZ-OE1 3.32Å; L5-E9 HydrophobicContact CB-CB 4.32Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; N6-E9 PolarHBondContact N-OE2 2.9Å; N6-E9 VanDerWaalsContact ND2-CD 3.34Å; N6-E9 WeakPolarHBondContact ND2-CG 3.42Å; N6-E9 PolarHBondContact ND2-OE2 3.42Å; N6-E9 VanDerWaalsContact ND2-OE2 3.12Å; N6-E9 PolarHBondContact O-N 3.12Å; N6-E9 PolarHBondContact OD1-N 3.02Å; E9-I11 VanDerWaalsContact C-N 3.34Å; E9-I11 PolarHBondContact O-N 3.39Å; E9-E12 PolarHBondContact O-N 3.39Å; E9-I13 WeakPolarHBondContact O-CB 3.34Å; E9-I13 WeakPolarHBondContact O-CD1 3.34Å; E9-I13 VanDerWaalsContact O-CG1 3.29Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 2.93Å
10A98.5Very high97.5Very high7 Ų753.8 Ų53.86%0.05826%0.259CS..Hα-helixtrans-61.1-43.1177.400000111.9L5 N6 Q7 Q8 D14 F120 K178L5-A10 HydrophobicContact CB-CB 4.42Å; L5-A10 HydrophobicContact CD1-CB 4.36Å; N6-A10 PolarHBondContact O-N 3.18Å; Q7-A10 PolarHBondContact O-N 2.8Å; Q8-A10 VanDerWaalsContact C-N 3.33Å; Q8-A10 PolarHBondContact O-N 3.32Å; A10-D14 WeakPolarHBondContact O-CB 3.37Å; A10-D14 PolarHBondContact O-N 3.5Å; A10-F120 HydrophobicContact CB-CB 3.9Å; A10-F120 HydrophobicContact CB-CD2 3.74Å; A10-F120 HydrophobicContact CB-CG 3.92Å; A10-K178 HydrophobicContact CB-CD 4.05Å; A10-K178 HydrophobicContact CB-CG 4.32Å
11I98.5Very high97.5Very high30 Ų3053.6 Ų53.615%0.15426%0.256CS..Hα-helixtrans-64.3-44.2175.5-68.1164.6000111.3Q7 Q8 E9 D14 Q15 F120Q7-I11 HydrophobicContact CG-CD1 3.87Å; Q7-I11 VanDerWaalsContact O-CG1 3.31Å; Q7-I11 WeakPolarHBondContact O-CG1 3.36Å; Q7-I11 PolarHBondContact O-N 3.47Å; Q8-I11 PolarHBondContact O-N 3.23Å; E9-I11 VanDerWaalsContact C-N 3.34Å; E9-I11 PolarHBondContact O-N 3.39Å; I11-D14 PolarHBondContact O-N 2.9Å; I11-Q15 HydrophobicContact CG2-CG 4.45Å; I11-Q15 WeakPolarHBondContact O-CB 3.44Å; I11-Q15 VanDerWaalsContact O-CG 3.27Å; I11-Q15 WeakPolarHBondContact O-CG 3.37Å; I11-Q15 PolarHBondContact O-N 3.04Å; I11-F120 HydrophobicContact CB-CE2 4.45Å; I11-F120 HydrophobicContact CG1-CD2 3.94Å; I11-F120 HydrophobicContact CG1-CE2 3.78Å
12E98.7Very high98.1Very high72 Ų7253.1 Ų53.134%0.33624%0.243SC..Hα-helixtrans-66-40.4-179.4-73.8172.7-176.100112.4Q8 E9 Q15 E16 Y204Q8-E12 WeakPolarHBondContact CG-OE1 3.38Å; Q8-E12 PolarHBondContact NE2-OE1 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.3Å; Q8-E12 PolarHBondContact O-N 3Å; E9-E12 PolarHBondContact O-N 3.39Å; E12-Q15 PolarHBondContact O-N 3.18Å; E12-E16 WeakPolarHBondContact O-CB 3.47Å; E12-E16 PolarHBondContact O-N 2.84Å; E12-Y204 HydrophobicContact CB-CE1 4.4Å
13I98.5Very high98.3Very high2 Ų254.8 Ų54.81%0.0125%0.249CC..Hα-helixtrans-63.4-47.5175.6-75.7162.8000110.6L5 E9 Q15 E16 L17 T175 L200 Y204 L206L5-I13 HydrophobicContact CD1-CD1 3.56Å; L5-I13 HydrophobicContact CD2-CD1 3.94Å; L5-I13 HydrophobicContact CG-CD1 4.4Å; E9-I13 WeakPolarHBondContact O-CB 3.34Å; E9-I13 WeakPolarHBondContact O-CD1 3.34Å; E9-I13 VanDerWaalsContact O-CG1 3.29Å; E9-I13 WeakPolarHBondContact O-CG1 3.48Å; E9-I13 PolarHBondContact O-N 2.93Å; I13-Q15 PolarHBondContact O-N 3.4Å; I13-E16 PolarHBondContact O-N 3.19Å; I13-L17 HydrophobicContact CG2-CD1 4.24Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.12Å; I13-T175 HydrophobicContact CG2-CG2 3.7Å; I13-L200 HydrophobicContact CG2-CD2 4.17Å; I13-Y204 HydrophobicContact CD1-CD1 3.97Å; I13-Y204 HydrophobicContact CD1-CD2 4.05Å; I13-Y204 HydrophobicContact CD1-CE1 4.44Å; I13-Y204 HydrophobicContact CD1-CG 3.76Å; I13-Y204 HydrophobicContact CG1-CD1 3.97Å; I13-Y204 HydrophobicContact CG1-CD2 3.59Å; I13-Y204 HydrophobicContact CG1-CE1 4Å; I13-Y204 HydrophobicContact CG1-CE2 3.62Å; I13-Y204 HydrophobicContact CG1-CG 3.78Å; I13-L206 HydrophobicContact CD1-CD2 3.89Å
14D97.8Very high98.2Very high42 Ų4254.1 Ų54.123%0.22525%0.252CS..Hα-helixtrans-59.2-46.4177.4-173.867000111.2A10 I11 E16 L17 F18 F120A10-D14 WeakPolarHBondContact O-CB 3.37Å; A10-D14 PolarHBondContact O-N 3.5Å; I11-D14 PolarHBondContact O-N 2.9Å; D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 2.84Å; D14-L17 WeakPolarHBondContact O-CB 3.42Å; D14-L17 PolarHBondContact O-N 2.91Å; D14-F18 WeakPolarHBondContact O-CD2 3.15Å; D14-F18 PolarHBondContact O-N 3.34Å; D14-F18 WeakPolarHBondContact OD1-CE2 3.22Å; D14-F18 VanDerWaalsContact OD2-CE2 3.3Å; D14-F18 WeakPolarHBondContact OD2-CE2 3.2Å; D14-F120 HydrophobicContact CB-CE2 4.26Å; D14-F120 HydrophobicContact CB-CZ 3.72Å
15Q98.3Very high97.9Very high100 Ų10054.1 Ų54.147%0.46726%0.256SS..Hα-helixtrans-62.6-37.3174.8-73.4177.31.700113I11 E12 I13 F18 N19I11-Q15 HydrophobicContact CG2-CG 4.45Å; I11-Q15 WeakPolarHBondContact O-CB 3.44Å; I11-Q15 VanDerWaalsContact O-CG 3.27Å; I11-Q15 WeakPolarHBondContact O-CG 3.37Å; I11-Q15 PolarHBondContact O-N 3.04Å; E12-Q15 PolarHBondContact O-N 3.18Å; I13-Q15 PolarHBondContact O-N 3.4Å; Q15-F18 PolarHBondContact O-N 2.92Å; Q15-N19 WeakPolarHBondContact O-CB 3.3Å; Q15-N19 VanDerWaalsContact O-CG 3.28Å; Q15-N19 PolarHBondContact O-N 3.4Å; Q15-N19 PolarHBondContact O-ND2 3.43Å
16E98.5Very high97.6Very high18 Ų1858.3 Ų58.38%0.08428%0.278CS..Hα-helixtrans-71.5-38178.6-165.1170.616900111.6E12 I13 D14 F18 N19 K20 Y21 L200 K203 Y204E12-E16 WeakPolarHBondContact O-CB 3.47Å; E12-E16 PolarHBondContact O-N 2.84Å; I13-E16 PolarHBondContact O-N 3.19Å; D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 2.84Å; E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.37Å; E16-N19 PolarHBondContact O-N 3.06Å; E16-K20 HydrophobicContact CG-CB 3.77Å; E16-K20 HydrophobicContact CG-CD 3.73Å; E16-K20 HydrophobicContact CG-CG 4.42Å; E16-K20 WeakPolarHBondContact O-CA 3.45Å; E16-K20 WeakPolarHBondContact O-CB 3.4Å; E16-K20 PolarHBondContact O-N 3.05Å; E16-K20 WeakPolarHBondContact OE1-CD 3.5Å; E16-K20 IonicContact OE1-NZ 2.81Å; E16-K20 PolarHBondContact OE1-NZ 2.99Å; E16-Y21 HydrophobicContact CG-CD2 4.03Å; E16-Y21 HydrophobicContact CG-CE2 3.79Å; E16-Y21 WeakPolarHBondContact O-CD2 3.29Å; E16-Y21 PolarHBondContact O-N 3.18Å; E16-L200 HydrophobicContact CB-CD1 4.25Å; E16-L200 HydrophobicContact CG-CD1 4.13Å; E16-K203 IonicContact OE1-NZ 3.53Å; E16-K203 IonicContact OE2-NZ 2.65Å; E16-K203 PolarHBondContact OE2-NZ 2.66Å; E16-Y204 WeakPolarHBondContact OE2-CE2 3.43Å; E16-Y204 PolarHBondContact OE2-OH 3.29Å
17L98.4Very high97.4Very high0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-55.2-45.5172.8-75.1169.8000111I13 D14 Y21 R22 F23 L28 F195 P197 L200I13-L17 HydrophobicContact CG2-CD1 4.24Å; I13-L17 WeakPolarHBondContact O-CG 3.47Å; I13-L17 PolarHBondContact O-N 3.12Å; D14-L17 WeakPolarHBondContact O-CB 3.42Å; D14-L17 PolarHBondContact O-N 2.91Å; L17-Y21 CarbonylContact O-C 3.51Å; L17-Y21 WeakPolarHBondContact O-CB 3.36Å; L17-R22 PolarHBondContact O-N 3.31Å; L17-F23 HydrophobicContact CB-CD2 4.35Å; L17-F23 HydrophobicContact CD2-CD2 3.85Å; L17-F23 HydrophobicContact CD2-CE2 3.93Å; L17-F23 PolarHBondContact O-N 3.25Å; L17-L28 HydrophobicContact CB-CD1 4.11Å; L17-L28 HydrophobicContact CD1-CD1 4.09Å; L17-F195 HydrophobicContact CD1-CD2 4.46Å; L17-F195 HydrophobicContact CD1-CE2 3.95Å; L17-P197 HydrophobicContact CD2-CG 4.42Å; L17-L200 HydrophobicContact CD2-CD2 3.52Å; L17-L200 HydrophobicContact CG-CD2 3.71Å
18F97.3Very high97.2Very high43 Ų4360 Ų6019%0.18929%0.285CS..Hα-helixtrans-73.8-51.2177.4-62.4-47000113.2D14 Q15 E16 R22 F23 V25 L28D14-F18 WeakPolarHBondContact O-CD2 3.15Å; D14-F18 PolarHBondContact O-N 3.34Å; D14-F18 WeakPolarHBondContact OD1-CE2 3.22Å; D14-F18 VanDerWaalsContact OD2-CE2 3.3Å; D14-F18 WeakPolarHBondContact OD2-CE2 3.2Å; Q15-F18 PolarHBondContact O-N 2.92Å; E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.37Å; F18-R22 WeakPolarHBondContact O-CA 3.48Å; F18-R22 PolarHBondContact O-N 2.93Å; F18-F23 WeakPolarHBondContact CD1-O 3.39Å; F18-V25 HydrophobicContact CD1-CG2 4.38Å; F18-V25 HydrophobicContact CE1-CB 4.25Å; F18-V25 HydrophobicContact CE1-CG2 3.76Å; F18-V25 HydrophobicContact CE2-CG2 4.4Å; F18-V25 HydrophobicContact CZ-CB 4.35Å; F18-V25 HydrophobicContact CZ-CG2 3.78Å; F18-L28 HydrophobicContact CD1-CD1 4.21Å; F18-L28 HydrophobicContact CE1-CD1 3.47Å; F18-L28 VanDerWaalsContact CE1-CD1 3.47Å; F18-L28 HydrophobicContact CE1-CG 4.19Å; F18-L28 HydrophobicContact CZ-CD1 3.81Å
19N98.1Very high97Very high105 Ų10555.7 Ų55.756%0.56127%0.265SS*.Hα-helixtrans-82.1-36.8-167.3-67.4-42.3000113.6Q15 E16 R22Q15-N19 WeakPolarHBondContact O-CB 3.3Å; Q15-N19 VanDerWaalsContact O-CG 3.28Å; Q15-N19 PolarHBondContact O-N 3.4Å; Q15-N19 PolarHBondContact O-ND2 3.43Å; E16-N19 PolarHBondContact O-N 3.06Å; N19-R22 PolarHBondContact O-NE 2.7Å; N19-R22 VanDerWaalsContact O-NE 3.14Å; N19-R22 PolarHBondContact O-NH1 2.87Å; N19-R22 PolarHBondContact O-NH2 2.89Å
20K98.2Very high96.6Very high114 Ų11460.6 Ų60.650%0.49629%0.288SS..THydrogen-bonded Turntrans-101.4-48-176.3-177.5-175.6170.5-1730111.5E16 R22E16-K20 HydrophobicContact CG-CB 3.77Å; E16-K20 HydrophobicContact CG-CD 3.73Å; E16-K20 HydrophobicContact CG-CG 4.42Å; E16-K20 WeakPolarHBondContact O-CA 3.45Å; E16-K20 WeakPolarHBondContact O-CB 3.4Å; E16-K20 PolarHBondContact O-N 3.05Å; E16-K20 WeakPolarHBondContact OE1-CD 3.5Å; E16-K20 IonicContact OE1-NZ 2.81Å; E16-K20 PolarHBondContact OE1-NZ 2.99Å; K20-R22 VanDerWaalsContact C-N 3.31Å
21Y98.2Very high96.4Very high49 Ų4963.8 Ų63.819%0.19230%0.303CS..SBendtrans-85.8-5.5-178.3-64.5-82.4000113.5E16 L17 F23 P197 L200E16-Y21 HydrophobicContact CG-CD2 4.03Å; E16-Y21 HydrophobicContact CG-CE2 3.79Å; E16-Y21 WeakPolarHBondContact O-CD2 3.29Å; E16-Y21 PolarHBondContact O-N 3.18Å; L17-Y21 CarbonylContact O-C 3.51Å; L17-Y21 WeakPolarHBondContact O-CB 3.36Å; Y21-F23 PolarHBondContact O-N 3.3Å; Y21-P197 HydrophobicContact CD1-CB 3.85Å; Y21-P197 HydrophobicContact CD1-CG 3.54Å; Y21-P197 HydrophobicContact CD2-CG 4.48Å; Y21-P197 HydrophobicContact CE1-CB 3.66Å; Y21-P197 HydrophobicContact CE1-CG 3.87Å; Y21-P197 HydrophobicContact CG-CG 3.88Å; Y21-L200 HydrophobicContact CD2-CD2 4.15Å; Y21-L200 HydrophobicContact CE2-CB 3.76Å; Y21-L200 HydrophobicContact CE2-CD1 3.97Å; Y21-L200 HydrophobicContact CE2-CD2 4.01Å; Y21-L200 HydrophobicContact CE2-CG 4.14Å; Y21-L200 PolarHBondContact OH-N 2.89Å
22R97.9Very high96.2Very high193 Ų19362.5 Ų62.573%0.72830%0.298SS*.  trans59.527.1171-52-57.5-175.4172.9-2.1113.9L17 F18 N19 K20L17-R22 PolarHBondContact O-N 3.31Å; F18-R22 WeakPolarHBondContact O-CA 3.48Å; F18-R22 PolarHBondContact O-N 2.93Å; N19-R22 PolarHBondContact O-NE 2.7Å; N19-R22 VanDerWaalsContact O-NE 3.14Å; N19-R22 PolarHBondContact O-NH1 2.87Å; N19-R22 PolarHBondContact O-NH2 2.89Å; K20-R22 VanDerWaalsContact C-N 3.31Å
23F97.8Very high96Very high54 Ų5459.4 Ų59.424%0.23729%0.285CS..  trans-62.7149.6163.2-75.2-84.1000109.4L17 F18 Y21 L28 F195 P197L17-F23 HydrophobicContact CB-CD2 4.35Å; L17-F23 HydrophobicContact CD2-CD2 3.85Å; L17-F23 HydrophobicContact CD2-CE2 3.93Å; L17-F23 PolarHBondContact O-N 3.25Å; F18-F23 WeakPolarHBondContact CD1-O 3.39Å; Y21-F23 PolarHBondContact O-N 3.3Å; F23-L28 HydrophobicContact CB-CD1 4.06Å; F23-L28 HydrophobicContact CB-CD2 3.92Å; F23-L28 HydrophobicContact CB-CG 3.88Å; F23-L28 HydrophobicContact CD1-CD2 3.52Å; F23-L28 HydrophobicContact CD1-CG 4.31Å; F23-L28 HydrophobicContact CD2-CD2 4.46Å; F23-L28 HydrophobicContact CE1-CD2 4.11Å; F23-L28 HydrophobicContact CG-CD2 3.71Å; F23-L28 HydrophobicContact CG-CG 4.25Å; F23-F195 HydrophobicContact CE1-CB 4.46Å; F23-P197 HydrophobicContact CE2-CG 4Å
24S95.8Very high95.7Very high44 Ų4463.7 Ų63.731%0.30831%0.307SS..  trans-96157.8166.258.90000110.4D26 Q27 L28S24-D26 VanDerWaalsContact C-N 3.3Å; S24-D26 PolarHBondContact O-N 2.97Å; S24-Q27 PolarHBondContact O-N 3.18Å; S24-Q27 WeakPolarHBondContact OG-CB 3.21Å; S24-Q27 WeakPolarHBondContact OG-CG 3.15Å; S24-Q27 PolarHBondContact OG-N 3.44Å; S24-Q27 PolarHBondContact OG-OE1 3.46Å; S24-L28 PolarHBondContact O-N 2.95Å
25V92.7Very high95.6Very high44 Ų4461.8 Ų61.827%0.26730%0.297SS..Hα-helixtrans-60.5-43.5175.8-172.80000110.1F18 Q27 L28 M29 N61 L83F18-V25 HydrophobicContact CD1-CG2 4.38Å; F18-V25 HydrophobicContact CE1-CB 4.25Å; F18-V25 HydrophobicContact CE1-CG2 3.76Å; F18-V25 HydrophobicContact CE2-CG2 4.4Å; F18-V25 HydrophobicContact CZ-CB 4.35Å; F18-V25 HydrophobicContact CZ-CG2 3.78Å; V25-Q27 VanDerWaalsContact C-N 3.33Å; V25-Q27 PolarHBondContact O-N 2.89Å; V25-L28 PolarHBondContact O-N 3.07Å; V25-M29 HydrophobicContact CG1-CE 4.17Å; V25-M29 WeakPolarHBondContact O-CB 3.48Å; V25-M29 PolarHBondContact O-N 3.31Å; V25-N61 WeakPolarHBondContact CG1-ND2 3.5Å; V25-L83 HydrophobicContact CB-CD2 4.06Å; V25-L83 HydrophobicContact CG1-CD2 3.37Å
26D92.1Very high95.4Very high90 Ų9057.1 Ų57.148%0.48128%0.276SS..Hα-helixtrans-56.1-44.8177.2-57.7-107.4000112.3S24 E30 L83S24-D26 VanDerWaalsContact C-N 3.3Å; S24-D26 PolarHBondContact O-N 2.97Å; D26-E30 WeakPolarHBondContact O-CB 3.41Å; D26-E30 PolarHBondContact O-N 3.48Å; D26-L83 VanDerWaalsContact OD1-CD1 3.27Å; D26-L83 WeakPolarHBondContact OD1-CD1 3.26Å
27Q94.1Very high95.1Very high104 Ų10457 Ų5749%0.48628%0.277SS..Hα-helixtrans-64.3-47178.6-77.2166.2-32.800112.6S24 V25 M29 L31S24-Q27 PolarHBondContact O-N 3.18Å; S24-Q27 WeakPolarHBondContact OG-CB 3.21Å; S24-Q27 WeakPolarHBondContact OG-CG 3.15Å; S24-Q27 PolarHBondContact OG-N 3.44Å; S24-Q27 PolarHBondContact OG-OE1 3.46Å; V25-Q27 VanDerWaalsContact C-N 3.33Å; V25-Q27 PolarHBondContact O-N 2.89Å; Q27-M29 VanDerWaalsContact C-N 3.34Å; Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.42Å; Q27-L31 PolarHBondContact O-N 3.2Å
28L95.2Very high94.8Very high12 Ų1258.6 Ų58.66%0.06329%0.287CS..Hα-helixtrans-67.4-39.9-179.4-64.8-172.4000111.2L17 F18 F23 S24 V25 L31 A32 F195L17-L28 HydrophobicContact CB-CD1 4.11Å; L17-L28 HydrophobicContact CD1-CD1 4.09Å; F18-L28 HydrophobicContact CD1-CD1 4.21Å; F18-L28 HydrophobicContact CE1-CD1 3.47Å; F18-L28 VanDerWaalsContact CE1-CD1 3.47Å; F18-L28 HydrophobicContact CE1-CG 4.19Å; F18-L28 HydrophobicContact CZ-CD1 3.81Å; F23-L28 HydrophobicContact CB-CD1 4.06Å; F23-L28 HydrophobicContact CB-CD2 3.92Å; F23-L28 HydrophobicContact CB-CG 3.88Å; F23-L28 HydrophobicContact CD1-CD2 3.52Å; F23-L28 HydrophobicContact CD1-CG 4.31Å; F23-L28 HydrophobicContact CD2-CD2 4.46Å; F23-L28 HydrophobicContact CE1-CD2 4.11Å; F23-L28 HydrophobicContact CG-CD2 3.71Å; F23-L28 HydrophobicContact CG-CG 4.25Å; S24-L28 PolarHBondContact O-N 2.95Å; V25-L28 PolarHBondContact O-N 3.07Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-A32 VanDerWaalsContact O-CB 3.26Å; L28-A32 WeakPolarHBondContact O-CB 3.26Å; L28-A32 PolarHBondContact O-N 3.1Å; L28-F195 HydrophobicContact CD2-CD1 4.22Å; L28-F195 HydrophobicContact CD2-CD2 3.73Å; L28-F195 HydrophobicContact CD2-CE1 4.34Å; L28-F195 HydrophobicContact CD2-CE2 3.91Å; L28-F195 HydrophobicContact CD2-CG 3.92Å; L28-F195 HydrophobicContact CD2-CZ 4.21Å
29M93.1Very high94.7Very high12 Ų1256.5 Ų56.56%0.05928%0.278CS..Hα-helixtrans-65.3-42178.8-175.9172.2-68.600112.2V25 Q27 L31 A32 G33 N61 D65 L83 L87V25-M29 HydrophobicContact CG1-CE 4.17Å; V25-M29 WeakPolarHBondContact O-CB 3.48Å; V25-M29 PolarHBondContact O-N 3.31Å; Q27-M29 VanDerWaalsContact C-N 3.34Å; M29-L31 VanDerWaalsContact C-N 3.35Å; M29-L31 PolarHBondContact O-N 2.89Å; M29-A32 PolarHBondContact O-N 3.32Å; M29-G33 PolarHBondContact O-N 3.37Å; M29-N61 HydrophobicContact CE-CB 3.64Å; M29-N61 WeakPolarHBondContact CE-O 3.45Å; M29-D65 WeakPolarHBondContact CG-OD1 3.18Å; M29-L83 HydrophobicContact CE-CD2 3.49Å; M29-L83 VanDerWaalsContact CE-CD2 3.49Å; M29-L83 HydrophobicContact CE-CG 4.31Å; M29-L83 HydrophobicContact SD-CD1 4.24Å; M29-L83 HydrophobicContact SD-CD2 3.85Å; M29-L83 HydrophobicContact SD-CG 4.16Å; M29-L87 HydrophobicContact SD-CD1 3.61Å
30E91.7Very high94.4Very high138 Ų13851.7 Ų51.765%0.64525%0.252SS*.Hα-helixtrans-62.4-43.6175.6-176.561.6-155.300111.3D26 G33 L34D26-E30 WeakPolarHBondContact O-CB 3.41Å; D26-E30 PolarHBondContact O-N 3.48Å; E30-G33 PolarHBondContact O-N 3.18Å; E30-L34 WeakPolarHBondContact O-CB 3.31Å; E30-L34 PolarHBondContact O-N 2.9Å
31L93.9Very high94Very high73 Ų7348.2 Ų48.238%0.38225%0.245SC..Hα-helixtrans-67.5-38.1177.3-68.1173000112.3Q27 L28 M29 S35 F195Q27-L31 VanDerWaalsContact O-CG 3.3Å; Q27-L31 WeakPolarHBondContact O-CG 3.42Å; Q27-L31 PolarHBondContact O-N 3.2Å; L28-L31 PolarHBondContact O-N 3.47Å; M29-L31 VanDerWaalsContact C-N 3.35Å; M29-L31 PolarHBondContact O-N 2.89Å; L31-S35 VanDerWaalsContact O-CB 3.3Å; L31-S35 WeakPolarHBondContact O-CB 3.47Å; L31-S35 PolarHBondContact O-N 3.06Å; L31-S35 PolarHBondContact O-OG 2.83Å; L31-F195 HydrophobicContact CB-CD1 3.9Å; L31-F195 HydrophobicContact CB-CE1 4.33Å; L31-F195 HydrophobicContact CD1-CB 3.89Å; L31-F195 HydrophobicContact CD1-CD1 3.92Å; L31-F195 HydrophobicContact CD1-CG 4.29Å
32A94.6Very high93.7Very high4 Ų450.9 Ų50.93%0.03326%0.257CS..Hα-helixtrans-65.9-47.4174.700000111L28 M29 L34 S35 C36 D65 L174L28-A32 VanDerWaalsContact O-CB 3.26Å; L28-A32 WeakPolarHBondContact O-CB 3.26Å; L28-A32 PolarHBondContact O-N 3.1Å; M29-A32 PolarHBondContact O-N 3.32Å; A32-L34 PolarHBondContact O-N 3.3Å; A32-S35 WeakPolarHBondContact O-CB 3.44Å; A32-S35 PolarHBondContact O-N 3.39Å; A32-S35 VanDerWaalsContact O-N 3.14Å; A32-C36 PolarHBondContact O-N 3.31Å; A32-C36 PolarHBondContact O-SG 2.76Å; A32-D65 HydrophobicContact CB-CB 4.17Å; A32-D65 WeakPolarHBondContact CB-OD1 3.32Å; A32-L174 HydrophobicContact CB-CD1 3.79Å; A32-L174 HydrophobicContact CB-CD2 3.97Å; A32-L174 HydrophobicContact CB-CG 4.49Å
33G93.4Very high93.4Very high6 Ų642.2 Ų42.26%0.06223%0.227CC..Hα-helixtrans-57.7-48.5176.800000112.9M29 E30 S35 C36 A37 D65M29-G33 PolarHBondContact O-N 3.37Å; E30-G33 PolarHBondContact O-N 3.18Å; G33-S35 VanDerWaalsContact C-N 3.32Å; G33-S35 PolarHBondContact O-N 3.04Å; G33-C36 PolarHBondContact O-N 2.82Å; G33-A37 PolarHBondContact O-N 2.77Å; G33-D65 VanDerWaalsContact CA-O 3.32Å; G33-D65 WeakPolarHBondContact CA-O 3.33Å
34L93.1Very high93Very high93 Ų9340.6 Ų40.649%0.48722%0.219SC..Hα-helixtrans-61.6-41.4174.6179.561.4000111.9E30 A32 T38E30-L34 WeakPolarHBondContact O-CB 3.31Å; E30-L34 PolarHBondContact O-N 2.9Å; A32-L34 PolarHBondContact O-N 3.3Å; L34-T38 VanDerWaalsContact O-CB 3.31Å; L34-T38 WeakPolarHBondContact O-CB 3.31Å; L34-T38 PolarHBondContact O-N 3.15Å; L34-T38 PolarHBondContact O-OG1 3.48Å
35S95.1Very high91.9Very high2 Ų242.6 Ų42.61%0.01424%0.239CC..Hα-helixtrans-61.3-45.9176-61.70000111.1L31 A32 G33 T38 A39 G193 C216 V217L31-S35 VanDerWaalsContact O-CB 3.3Å; L31-S35 WeakPolarHBondContact O-CB 3.47Å; L31-S35 PolarHBondContact O-N 3.06Å; L31-S35 PolarHBondContact O-OG 2.83Å; A32-S35 WeakPolarHBondContact O-CB 3.44Å; A32-S35 PolarHBondContact O-N 3.39Å; A32-S35 VanDerWaalsContact O-N 3.14Å; G33-S35 VanDerWaalsContact C-N 3.32Å; G33-S35 PolarHBondContact O-N 3.04Å; S35-T38 PolarHBondContact O-N 3.12Å; S35-A39 WeakPolarHBondContact O-CB 3.38Å; S35-A39 PolarHBondContact O-N 2.8Å; S35-G193 PolarHBondContact OG-N 2.76Å; S35-C216 PolarHBondContact OG-O 2.91Å; S35-V217 WeakPolarHBondContact O-CG1 3.28Å
36C94.8Very high90.5Very high2 Ų244.1 Ų44.11%0.01425%0.249CC..Hα-helixtrans-61.9-48.2179.3-63.60000111.7A32 G33 T38 A39 I40 I148A32-C36 PolarHBondContact O-N 3.31Å; A32-C36 PolarHBondContact O-SG 2.76Å; G33-C36 PolarHBondContact O-N 2.82Å; C36-T38 VanDerWaalsContact C-N 3.31Å; C36-T38 PolarHBondContact O-N 2.76Å; C36-A39 PolarHBondContact O-N 2.87Å; C36-I40 WeakPolarHBondContact O-CD1 3.46Å; C36-I40 VanDerWaalsContact O-CG1 3.28Å; C36-I40 WeakPolarHBondContact O-CG1 3.27Å; C36-I40 PolarHBondContact O-N 3.18Å; C36-I148 HydrophobicContact CB-CD1 3.85Å; C36-I148 VanDerWaalsContact SG-CG2 3.55Å
37A92.1Very high88.7Confident14 Ų1445.3 Ų45.312%0.11626%0.262CS..Hα-helixtrans-59.3-42.8176.200000112.4G33 I40 A41 G68G33-A37 PolarHBondContact O-N 2.77Å; A37-I40 PolarHBondContact O-N 2.9Å; A37-A41 WeakPolarHBondContact O-CB 3.46Å; A37-A41 PolarHBondContact O-N 3.41Å; A37-G68 WeakPolarHBondContact CB-O 3.35Å
38T92.5Very high87.1Confident34 Ų3441.6 Ų41.621%0.20924%0.244CC..Hα-helixtrans-65.3-44.4178.5-55.80000111.4L34 S35 C36 I40 A41 K42 C216 V217L34-T38 VanDerWaalsContact O-CB 3.31Å; L34-T38 WeakPolarHBondContact O-CB 3.31Å; L34-T38 PolarHBondContact O-N 3.15Å; L34-T38 PolarHBondContact O-OG1 3.48Å; S35-T38 PolarHBondContact O-N 3.12Å; C36-T38 VanDerWaalsContact C-N 3.31Å; C36-T38 PolarHBondContact O-N 2.76Å; T38-I40 PolarHBondContact O-N 3.29Å; T38-A41 PolarHBondContact O-N 2.95Å; T38-K42 HydrophobicContact CG2-CD 4.32Å; T38-K42 WeakPolarHBondContact O-CB 3.46Å; T38-K42 VanDerWaalsContact O-CG 3.31Å; T38-K42 WeakPolarHBondContact O-CG 3.46Å; T38-K42 PolarHBondContact O-N 3.38Å; T38-C216 PolarHBondContact OG1-SG 3.07Å; T38-V217 HydrophobicContact CG2-CG2 3.67Å
39A94Very high85.3Confident0 Ų043.8 Ų43.80%027%0.27CS..Hα-helixtrans-60.2-45.4176.500000111.7S35 C36 K42 A43 V172 F190 V217S35-A39 WeakPolarHBondContact O-CB 3.38Å; S35-A39 PolarHBondContact O-N 2.8Å; C36-A39 PolarHBondContact O-N 2.87Å; A39-K42 PolarHBondContact O-N 2.81Å; A39-A43 PolarHBondContact O-N 3.27Å; A39-V172 HydrophobicContact CB-CG1 4.25Å; A39-V172 HydrophobicContact CB-CG2 3.68Å; A39-F190 HydrophobicContact CB-CB 3.91Å; A39-F190 HydrophobicContact CB-CD1 4.24Å; A39-F190 HydrophobicContact CB-CD2 3.71Å; A39-F190 HydrophobicContact CB-CE2 4.24Å; A39-F190 HydrophobicContact CB-CG 3.69Å; A39-V217 HydrophobicContact CB-CG1 4.2Å
40I91.9Very high83.5Confident4 Ų450.8 Ų50.82%0.02131%0.308CS..Hα-helixtrans-60.8-48.6177.7-68.8163.5000110.5C36 A37 T38 K42 A43 Y44 F48 L112 V114 I146C36-I40 WeakPolarHBondContact O-CD1 3.46Å; C36-I40 VanDerWaalsContact O-CG1 3.28Å; C36-I40 WeakPolarHBondContact O-CG1 3.27Å; C36-I40 PolarHBondContact O-N 3.18Å; A37-I40 PolarHBondContact O-N 2.9Å; T38-I40 PolarHBondContact O-N 3.29Å; I40-K42 PolarHBondContact O-N 3.49Å; I40-A43 PolarHBondContact O-N 3.06Å; I40-Y44 HydrophobicContact CG2-CD2 4.22Å; I40-Y44 WeakPolarHBondContact O-CB 3.41Å; I40-Y44 WeakPolarHBondContact O-CD2 3.49Å; I40-Y44 PolarHBondContact O-N 3.35Å; I40-F48 HydrophobicContact CG2-CE2 4.49Å; I40-F48 HydrophobicContact CG2-CZ 4.25Å; I40-L112 HydrophobicContact CG2-CD2 3.81Å; I40-V114 HydrophobicContact CD1-CG1 4.44Å; I40-V114 HydrophobicContact CD1-CG2 3.6Å; I40-I146 HydrophobicContact CD1-CG2 4.27Å; I40-I146 HydrophobicContact CG1-CB 4.45Å; I40-I146 HydrophobicContact CG1-CG1 4.33Å; I40-I146 HydrophobicContact CG1-CG2 3.93Å
41A90.3Very high81.9Confident41 Ų4148.8 Ų48.834%0.33930%0.301SS..Hα-helixtrans-64.6-28.9-179.200000113A37 T38A37-A41 WeakPolarHBondContact O-CB 3.46Å; A37-A41 PolarHBondContact O-N 3.41Å; T38-A41 PolarHBondContact O-N 2.95Å
42K91.5Very high81.1Confident105 Ų10550.2 Ų50.246%0.45731%0.305SS..Hα-helixtrans-75.3-40.8175.5-75.8-175.2176.3-145.60113T38 A39 I40 F190 E215 V217T38-K42 HydrophobicContact CG2-CD 4.32Å; T38-K42 WeakPolarHBondContact O-CB 3.46Å; T38-K42 VanDerWaalsContact O-CG 3.31Å; T38-K42 WeakPolarHBondContact O-CG 3.46Å; T38-K42 PolarHBondContact O-N 3.38Å; A39-K42 PolarHBondContact O-N 2.81Å; I40-K42 PolarHBondContact O-N 3.49Å; K42-F190 HydrophobicContact CB-CZ 4.29Å; K42-E215 WeakPolarHBondContact CE-OE2 3.32Å; K42-E215 IonicContact NZ-OE1 2.99Å; K42-E215 PolarHBondContact NZ-OE1 3.14Å; K42-E215 IonicContact NZ-OE2 2.72Å; K42-E215 PolarHBondContact NZ-OE2 3.02Å; K42-V217 HydrophobicContact CD-CG2 4.07Å
43A92Very high80.9Confident11 Ų1150.1 Ų50.19%0.09130%0.303CS..Hα-helixtrans-79.6-32.7-178.800000113.7A39 I40 Y188 F190A39-A43 PolarHBondContact O-N 3.27Å; I40-A43 PolarHBondContact O-N 3.06Å; A43-Y188 HydrophobicContact CB-CD1 4.02Å; A43-Y188 HydrophobicContact CB-CD2 3.51Å; A43-Y188 HydrophobicContact CB-CE1 4.26Å; A43-Y188 HydrophobicContact CB-CE2 3.74Å; A43-Y188 HydrophobicContact CB-CG 3.64Å; A43-Y188 PolarHBondContact O-OH 2.72Å; A43-F190 HydrophobicContact CB-CE2 3.76Å; A43-F190 HydrophobicContact CB-CZ 4.12Å
44Y89.2Confident80.8Confident19 Ų1949.8 Ų49.88%0.07530%0.301CS..SBendtrans-123.6113-172.6-54.9-74.8000108.8I40 P46 L112 P144 I146 D169 C170 Y188I40-Y44 HydrophobicContact CG2-CD2 4.22Å; I40-Y44 WeakPolarHBondContact O-CB 3.41Å; I40-Y44 WeakPolarHBondContact O-CD2 3.49Å; I40-Y44 PolarHBondContact O-N 3.35Å; Y44-P46 VanDerWaalsContact O-CD 3.3Å; Y44-P46 WeakPolarHBondContact O-CD 3.37Å; Y44-L112 HydrophobicContact CD2-CD2 4.27Å; Y44-L112 HydrophobicContact CG-CD2 4.27Å; Y44-P144 HydrophobicContact CD1-CB 4.41Å; Y44-P144 HydrophobicContact CD1-CG 3.82Å; Y44-P144 HydrophobicContact CE1-CB 3.54Å; Y44-P144 HydrophobicContact CE1-CG 3.45Å; Y44-P144 VanDerWaalsContact CE1-CG 3.45Å; Y44-I146 HydrophobicContact CD2-CD1 4.35Å; Y44-I146 HydrophobicContact CD2-CG1 4.31Å; Y44-I146 HydrophobicContact CE2-CD1 3.88Å; Y44-I146 HydrophobicContact CE2-CG1 3.52Å; Y44-D169 WeakPolarHBondContact CE1-OD2 3.43Å; Y44-D169 PolarHBondContact OH-OD2 2.9Å; Y44-C170 HydrophobicContact CE2-CB 3.87Å; Y44-C170 WeakPolarHBondContact OH-CB 3.48Å; Y44-Y188 HydrophobicContact CE1-CD2 4.26Å; Y44-Y188 AromaticContact CE1-CE2 4Å; Y44-Y188 HydrophobicContact CE1-CE2 4Å; Y44-Y188 HydrophobicContact CE2-CD2 4.43Å; Y44-Y188 AromaticContact CZ-CD2 3.9Å
45A72.3Confident80.9Confident87 Ų8745.4 Ų45.472%0.71928%0.277SS*.PPolyproline II helixtrans-62.5122.7-175.100000111
46P63.2Low80.9Confident75 Ų7545.3 Ų45.349%0.48728%0.277SS..SBendtrans-67.6161.4162.228.3-31.8000110.5Y44Y44-P46 VanDerWaalsContact O-CD 3.3Å; Y44-P46 WeakPolarHBondContact O-CD 3.37Å
47P54.2Low81Confident115 Ų11545.4 Ų45.475%0.74728%0.278SS*.PPolyproline II helixcis-84.4138.45.532.6-32.4000111.3G49P47-G49 PolarHBondContact O-N 2.88Å
48F61.8Low81.1Confident26 Ų2644.8 Ų44.811%0.11427%0.272CS..  trans-73.941.1157.8-53.7-67.2000110.4I40 N50 N51 V53 Y69 S111 L112I40-F48 HydrophobicContact CG2-CE2 4.49Å; I40-F48 HydrophobicContact CG2-CZ 4.25Å; F48-N50 PolarHBondContact O-N 3.3Å; F48-N51 VanDerWaalsContact CB-O 3.26Å; F48-N51 WeakPolarHBondContact CB-O 3.42Å; F48-N51 CarbonylContact O-C 3.2Å; F48-N51 WeakPolarHBondContact O-CA 3.44Å; F48-N51 PolarHBondContact O-N 3.37Å; F48-V53 HydrophobicContact CD2-CG2 3.83Å; F48-V53 HydrophobicContact CE2-CG2 4.06Å; F48-V53 HydrophobicContact CG-CG2 4.18Å; F48-Y69 AromaticContact CD2-CE1 3.43Å; F48-Y69 HydrophobicContact CD2-CE1 3.43Å; F48-Y69 VanDerWaalsContact CD2-CE1 3.43Å; F48-Y69 AromaticContact CD2-CZ 3.41Å; F48-Y69 VanDerWaalsContact CD2-CZ 3.41Å; F48-Y69 WeakPolarHBondContact CD2-OH 3.34Å; F48-Y69 AromaticContact CE2-CE1 3.75Å; F48-Y69 HydrophobicContact CE2-CE1 3.75Å; F48-Y69 HydrophobicContact CE2-CE2 4.11Å; F48-Y69 AromaticContact CE2-CZ 3.4Å; F48-Y69 WeakPolarHBondContact CE2-OH 3.27Å; F48-S111 VanDerWaalsContact CD1-OG 3.23Å; F48-S111 WeakPolarHBondContact CD1-OG 3.34Å; F48-L112 HydrophobicContact CD1-CD2 4.26Å; F48-L112 HydrophobicContact CE1-CD2 3.37Å; F48-L112 HydrophobicContact CE1-CG 4.17Å; F48-L112 HydrophobicContact CE2-CD2 4.22Å; F48-L112 HydrophobicContact CZ-CD2 3.36Å; F48-L112 HydrophobicContact CZ-CG 4.42Å
49G56.4Low80.9Confident59 Ų5944.9 Ų44.961%0.60827%0.273SS*.  trans1.4-114.9-170.700000116.7P47P47-G49 PolarHBondContact O-N 2.88Å
50N56Low80.7Confident159 Ų15946.7 Ų46.785%0.8529%0.292SS*.SBendtrans-81.7-2.9165.3-73.5-16.7000112.3F48 K52F48-N50 PolarHBondContact O-N 3.3Å; N50-K52 PolarHBondContact O-N 3.2Å
51N56.7Low80.6Confident95 Ų9549.8 Ų49.851%0.50831%0.309SS..  trans-9188.2-171.2-67.6-16.4000110F48 S111F48-N51 VanDerWaalsContact CB-O 3.26Å; F48-N51 WeakPolarHBondContact CB-O 3.42Å; F48-N51 CarbonylContact O-C 3.2Å; F48-N51 WeakPolarHBondContact O-CA 3.44Å; F48-N51 PolarHBondContact O-N 3.37Å; N51-S111 PolarHBondContact O-OG 2.82Å
52K77.5Confident80.6Confident104 Ų10448.5 Ų48.545%0.45230%0.296SS..PPolyproline II helixtrans-59.5159.6-169.7-60179.6179.4-179.20113.3N50 T72 F110 S111N50-K52 PolarHBondContact O-N 3.2Å; K52-T72 VanDerWaalsContact CD-OG1 3.28Å; K52-T72 WeakPolarHBondContact CD-OG1 3.44Å; K52-F110 HydrophobicContact CB-CD1 3.76Å; K52-F110 HydrophobicContact CB-CE1 3.84Å; K52-F110 WeakPolarHBondContact O-CA 3.33Å; K52-F110 WeakPolarHBondContact O-CB 3.38Å; K52-F110 VanDerWaalsContact O-CD1 3.3Å; K52-F110 WeakPolarHBondContact O-CD1 3.33Å; K52-S111 PolarHBondContact O-N 3.48Å; K52-S111 VanDerWaalsContact O-N 3.17Å; K52-S111 PolarHBondContact O-OG 2.97Å
53V90.1Very high80.1Confident1 Ų143.5 Ų43.51%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-84.7127.1165.1164.90000107.9F48 V55 Y69 P71 T72 L112 V114F48-V53 HydrophobicContact CD2-CG2 3.83Å; F48-V53 HydrophobicContact CE2-CG2 4.06Å; F48-V53 HydrophobicContact CG-CG2 4.18Å; V53-V55 HydrophobicContact CG1-CG2 3.91Å; V53-Y69 HydrophobicContact CB-CD1 3.84Å; V53-Y69 HydrophobicContact CB-CE1 4.42Å; V53-Y69 HydrophobicContact CG1-CD1 4.33Å; V53-Y69 HydrophobicContact CG2-CD1 3.44Å; V53-Y69 VanDerWaalsContact CG2-CD1 3.44Å; V53-Y69 HydrophobicContact CG2-CE1 3.58Å; V53-Y69 HydrophobicContact CG2-CG 4.35Å; V53-P71 HydrophobicContact CG1-CB 4.33Å; V53-P71 CarbonylContact O-C 3.56Å; V53-P71 WeakPolarHBondContact O-CA 3.17Å; V53-P71 WeakPolarHBondContact O-CB 3.44Å; V53-T72 PolarHBondContact O-N 3.48Å; V53-L112 HydrophobicContact CB-CD1 3.84Å; V53-L112 HydrophobicContact CG1-CD1 3.41Å; V53-L112 VanDerWaalsContact CG1-CD1 3.41Å; V53-L112 HydrophobicContact CG2-CD1 3.56Å; V53-L112 HydrophobicContact CG2-CD2 4.3Å; V53-L112 HydrophobicContact CG2-CG 3.9Å; V53-V114 HydrophobicContact CG1-CG2 3.83Å
54L93Very high79.7Confident0 Ų043.2 Ų43.20%027%0.272CS..EExtended strand (participates in β ladder)trans-91.6116.7170.3177.161.4000109.3I56 T72 L74 M105 I107 F110 L112 V113 V114L54-I56 HydrophobicContact CD2-CD1 4.33Å; L54-I56 HydrophobicContact CD2-CG1 4.3Å; L54-I56 HydrophobicContact CG-CG1 4.08Å; L54-T72 WeakPolarHBondContact CA-O 3.19Å; L54-L74 HydrophobicContact CD1-CB 4.07Å; L54-M105 HydrophobicContact CD1-CE 4.22Å; L54-M105 HydrophobicContact CD1-SD 3.77Å; L54-M105 HydrophobicContact CD2-SD 4.17Å; L54-I107 HydrophobicContact CD2-CG2 4.48Å; L54-F110 HydrophobicContact CB-CB 4.15Å; L54-F110 HydrophobicContact CB-CD1 3.73Å; L54-F110 HydrophobicContact CB-CD2 3.81Å; L54-F110 HydrophobicContact CB-CE1 4.07Å; L54-F110 HydrophobicContact CB-CE2 4.12Å; L54-F110 HydrophobicContact CB-CG 3.62Å; L54-F110 HydrophobicContact CB-CZ 4.25Å; L54-F110 HydrophobicContact CD1-CE1 4.45Å; L54-F110 HydrophobicContact CD1-CE2 4.2Å; L54-F110 HydrophobicContact CD1-CZ 4.07Å; L54-F110 HydrophobicContact CD2-CD2 4.01Å; L54-F110 HydrophobicContact CD2-CE2 4.04Å; L54-F110 HydrophobicContact CG-CD2 4.39Å; L54-F110 HydrophobicContact CG-CE2 4.35Å; L54-L112 PolarHBondContact N-O 2.76Å; L54-L112 VanDerWaalsContact N-O 3.15Å; L54-V113 HydrophobicContact CB-CG2 4.41Å; L54-V113 HydrophobicContact CD2-CG1 4.44Å; L54-V113 HydrophobicContact CD2-CG2 4.41Å; L54-V113 CarbonylContact O-C 3.53Å; L54-V113 WeakPolarHBondContact O-CA 3.3Å; L54-V114 PolarHBondContact O-N 2.83Å
55V94.5Very high79.5Confident0 Ų043.1 Ų43.10%027%0.273CS..EExtended strand (participates in β ladder)trans-102.3123.5172.5-1790000109V53 G66 P71 T72 I73 L74 V114 A116V53-V55 HydrophobicContact CG1-CG2 3.91Å; V55-G66 WeakPolarHBondContact CG1-O 3.12Å; V55-G66 WeakPolarHBondContact CG2-O 3.28Å; V55-P71 HydrophobicContact CB-CB 4.11Å; V55-P71 HydrophobicContact CG2-CB 3.4Å; V55-P71 VanDerWaalsContact CG2-CB 3.4Å; V55-P71 HydrophobicContact CG2-CG 4.03Å; V55-T72 PolarHBondContact N-O 2.91Å; V55-I73 CarbonylContact O-C 3.55Å; V55-I73 WeakPolarHBondContact O-CA 3.37Å; V55-L74 PolarHBondContact O-N 2.99Å; V55-V114 HydrophobicContact CB-CB 4.41Å; V55-V114 HydrophobicContact CG1-CB 4.38Å; V55-V114 HydrophobicContact CG1-CG1 4.45Å; V55-V114 HydrophobicContact CG2-CB 4.02Å; V55-V114 HydrophobicContact CG2-CG2 4.19Å; V55-A116 HydrophobicContact CG1-CB 4.26Å
56I95.9Very high79.9Confident0 Ų039.2 Ų39.20%024%0.242CC..EExtended strand (participates in β ladder)trans-104.2105.8178.4-50.1175.9000108.6L54 L74 V113 V114 A116 I117 I133 L137L54-I56 HydrophobicContact CD2-CD1 4.33Å; L54-I56 HydrophobicContact CD2-CG1 4.3Å; L54-I56 HydrophobicContact CG-CG1 4.08Å; I56-L74 WeakPolarHBondContact CA-O 3.29Å; I56-L74 HydrophobicContact CG1-CB 4.38Å; I56-L74 HydrophobicContact CG1-CD2 4.26Å; I56-L74 HydrophobicContact CG2-CB 4.47Å; I56-L74 HydrophobicContact CG2-CD2 4.02Å; I56-L74 HydrophobicContact CG2-CG 4.32Å; I56-V113 HydrophobicContact CD1-CG1 3.65Å; I56-V113 HydrophobicContact CG1-CG1 4.14Å; I56-V114 PolarHBondContact N-O 3.33Å; I56-A116 CarbonylContact O-C 3.58Å; I56-A116 WeakPolarHBondContact O-CA 3.47Å; I56-A116 WeakPolarHBondContact O-CB 3.48Å; I56-A116 PolarHBondContact O-N 3.17Å; I56-I117 HydrophobicContact CB-CD1 4.4Å; I56-I117 HydrophobicContact CB-CG1 4.15Å; I56-I117 HydrophobicContact CG2-CD1 3.74Å; I56-I117 HydrophobicContact CG2-CG1 3.69Å; I56-I117 PolarHBondContact O-N 3.36Å; I56-I133 HydrophobicContact CD1-CG2 3.85Å; I56-I133 HydrophobicContact CG2-CG2 3.94Å; I56-L137 HydrophobicContact CD1-CD1 4.13Å; I56-L137 HydrophobicContact CD1-CD2 3.63Å; I56-L137 HydrophobicContact CD1-CG 4.44Å
57C95.5Very high80.6Confident5 Ų537.4 Ų37.43%0.03423%0.228CC..EExtended strand (participates in β ladder)trans-89.5129.9-175.6-61.80000111.1G63 L74 Y75 P76C57-G63 PolarHBondContact SG-O 2.93Å; C57-L74 PolarHBondContact N-O 3.44Å; C57-Y75 HydrophobicContact CB-CD2 3.73Å; C57-Y75 HydrophobicContact CB-CE2 4.41Å; C57-Y75 HydrophobicContact CB-CG 4.21Å; C57-P76 WeakPolarHBondContact O-CD 3.45Å
58G93.7Very high81.3Confident0 Ų034 Ų340%021%0.213CC..  trans-82175.1167.600000113.2G60 Y75 A116 I117G58-G60 PolarHBondContact O-N 2.84Å; G58-Y75 VanDerWaalsContact O-CE2 3.28Å; G58-Y75 WeakPolarHBondContact O-CE2 3.36Å; G58-A116 PolarHBondContact N-O 2.81Å; G58-I117 VanDerWaalsContact CA-O 3.3Å; G58-I117 WeakPolarHBondContact CA-O 3.42Å
59P90.1Very high81.8Confident36 Ų3636 Ų3623%0.23422%0.22CC..SBendtrans-77.6-18.3-174.632.2-34.5000113.9K77 F118 F130P59-K77 HydrophobicContact CB-CB 4.42Å; P59-F118 HydrophobicContact CG-CE1 4.47Å; P59-F130 HydrophobicContact CG-CE2 4.33Å; P59-F130 HydrophobicContact CG-CZ 4.43Å
60G89Confident82.8Confident38 Ų3841.2 Ų41.239%0.39223%0.229SC..SBendtrans-105.7-178.6-179.300000112.6G58 N62 G63 M84G58-G60 PolarHBondContact O-N 2.84Å; G60-N62 PolarHBondContact O-N 2.88Å; G60-G63 PolarHBondContact O-N 2.75Å; G60-M84 WeakPolarHBondContact O-CE 3.49Å
61N89.7Confident84.3Confident69 Ų6934 Ų3437%0.36919%0.191SC..THydrogen-bonded Turntrans-49.5-35.2-169.7-65.8-10.1000115.1V25 M29 G63 G64 D65V25-N61 WeakPolarHBondContact CG1-ND2 3.5Å; M29-N61 HydrophobicContact CE-CB 3.64Å; M29-N61 WeakPolarHBondContact CE-O 3.45Å; N61-G63 PolarHBondContact O-N 3.12Å; N61-G64 PolarHBondContact O-N 3.04Å; N61-D65 PolarHBondContact O-N 2.92Å
62N90.2Very high86Confident14 Ų1429.7 Ų29.78%0.07517%0.168CC..Hα-helixtrans-53.7-31.2176.3-158.972.1000113.4G60 G64 D65 A116 I148 D149G60-N62 PolarHBondContact O-N 2.88Å; N62-G64 VanDerWaalsContact C-N 3.29Å; N62-G64 PolarHBondContact O-N 2.93Å; N62-D65 WeakPolarHBondContact CA-OD2 3.43Å; N62-D65 PolarHBondContact O-N 2.74Å; N62-A116 CarbonylContact C-O 3.54Å; N62-A116 VanDerWaalsContact ND2-C 3.29Å; N62-A116 PolarHBondContact ND2-O 3.1Å; N62-A116 WeakPolarHBondContact O-CB 3.44Å; N62-I148 PolarHBondContact ND2-O 3.22Å; N62-I148 PolarHBondContact OD1-O 2.92Å; N62-D149 VanDerWaalsContact OD1-CB 3.29Å; N62-D149 WeakPolarHBondContact OD1-CB 3.34Å
63G81.9Confident86.7Confident1 Ų124.9 Ų24.91%0.0115%0.147CC..Hα-helixtrans-63.7-31.5175.300000113.9C57 G60 N61 A116C57-G63 PolarHBondContact SG-O 2.93Å; G60-G63 PolarHBondContact O-N 2.75Å; N61-G63 PolarHBondContact O-N 3.12Å; G63-A116 WeakPolarHBondContact CA-O 3.32Å; G63-A116 PolarHBondContact N-O 2.99Å
64G82.4Confident87Confident4 Ų424.8 Ų24.84%0.04115%0.147CC..Hα-helixtrans-75.8-31.6175.400000112.7N61 N62 G66 L67N61-G64 PolarHBondContact O-N 3.04Å; N62-G64 VanDerWaalsContact C-N 3.29Å; N62-G64 PolarHBondContact O-N 2.93Å; G64-G66 PolarHBondContact O-N 2.83Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G64-L67 WeakPolarHBondContact O-CB 3.42Å; G64-L67 WeakPolarHBondContact O-CG 3.31Å; G64-L67 PolarHBondContact O-N 2.83Å; G64-L67 VanDerWaalsContact O-N 3.16Å
65D86.1Confident87.1Confident17 Ų1725.2 Ų25.29%0.09115%0.148CC..Hα-helixtrans-65.1-16.5179.6-57.2-29.5000112.8M29 A32 G33 N61 N62 I148 L174M29-D65 WeakPolarHBondContact CG-OD1 3.18Å; A32-D65 HydrophobicContact CB-CB 4.17Å; A32-D65 WeakPolarHBondContact CB-OD1 3.32Å; G33-D65 VanDerWaalsContact CA-O 3.32Å; G33-D65 WeakPolarHBondContact CA-O 3.33Å; N61-D65 PolarHBondContact O-N 2.92Å; N62-D65 WeakPolarHBondContact CA-OD2 3.43Å; N62-D65 PolarHBondContact O-N 2.74Å; D65-I148 HydrophobicContact CB-CG2 3.94Å; D65-L174 HydrophobicContact CB-CD1 4.23Å
66G79.2Confident87.1Confident6 Ų626.2 Ų26.26%0.06216%0.155CC..THydrogen-bonded Turntrans-83.8-8176.600000115.5V55 G64 G68V55-G66 WeakPolarHBondContact CG1-O 3.12Å; V55-G66 WeakPolarHBondContact CG2-O 3.28Å; G64-G66 PolarHBondContact O-N 2.83Å; G64-G66 VanDerWaalsContact O-N 3.12Å; G66-G68 PolarHBondContact O-N 2.93Å
67L79.1Confident86.9Confident37 Ų3730.5 Ų30.519%0.19417%0.173CC..  trans-83.90.6-164.1-63.5-178.4000116G64 Y69 I73 L87 V91G64-L67 WeakPolarHBondContact O-CB 3.42Å; G64-L67 WeakPolarHBondContact O-CG 3.31Å; G64-L67 PolarHBondContact O-N 2.83Å; G64-L67 VanDerWaalsContact O-N 3.16Å; L67-Y69 PolarHBondContact O-N 2.56Å; L67-I73 HydrophobicContact CD2-CD1 3.44Å; L67-I73 VanDerWaalsContact CD2-CD1 3.44Å; L67-I73 HydrophobicContact CD2-CG1 3.92Å; L67-L87 HydrophobicContact CD1-CB 4.05Å; L67-L87 HydrophobicContact CD1-CD1 4.08Å; L67-L87 HydrophobicContact CD1-CD2 4.15Å; L67-L87 HydrophobicContact CD1-CG 4.33Å; L67-V91 HydrophobicContact CD1-CG2 4.46Å
68G69.4Low86.4Confident42 Ų4234.4 Ų34.443%0.43320%0.201SC..SBendtrans-7516-171.200000117.3A37 G66A37-G68 WeakPolarHBondContact CB-O 3.35Å; G66-G68 PolarHBondContact O-N 2.93Å
69Y72.4Confident86Confident68 Ų6836 Ų3627%0.26721%0.211SC..SBendtrans-121.3-169.3-175.8-149.2-103.1000112.3F48 V53 L67 P71F48-Y69 AromaticContact CD2-CE1 3.43Å; F48-Y69 HydrophobicContact CD2-CE1 3.43Å; F48-Y69 VanDerWaalsContact CD2-CE1 3.43Å; F48-Y69 AromaticContact CD2-CZ 3.41Å; F48-Y69 VanDerWaalsContact CD2-CZ 3.41Å; F48-Y69 WeakPolarHBondContact CD2-OH 3.34Å; F48-Y69 AromaticContact CE2-CE1 3.75Å; F48-Y69 HydrophobicContact CE2-CE1 3.75Å; F48-Y69 HydrophobicContact CE2-CE2 4.11Å; F48-Y69 AromaticContact CE2-CZ 3.4Å; F48-Y69 WeakPolarHBondContact CE2-OH 3.27Å; V53-Y69 HydrophobicContact CB-CD1 3.84Å; V53-Y69 HydrophobicContact CB-CE1 4.42Å; V53-Y69 HydrophobicContact CG1-CD1 4.33Å; V53-Y69 HydrophobicContact CG2-CD1 3.44Å; V53-Y69 VanDerWaalsContact CG2-CD1 3.44Å; V53-Y69 HydrophobicContact CG2-CE1 3.58Å; V53-Y69 HydrophobicContact CG2-CG 4.35Å; L67-Y69 PolarHBondContact O-N 2.56Å; Y69-P71 WeakPolarHBondContact O-CD 3.23Å
70E76.3Confident85.9Confident170 Ų17040.3 Ų40.379%0.79423%0.232SC*.SBendtrans-9871.2162-67.6-176.5-178.300111.3
71P87.1Confident86Confident7 Ų740.3 Ų40.35%0.04523%0.226CC..EExtended strand (participates in β ladder)trans-90.1172.1-169.439.1-42.5000113.9V53 V55 Y69 I73 I96V53-P71 HydrophobicContact CG1-CB 4.33Å; V53-P71 CarbonylContact O-C 3.56Å; V53-P71 WeakPolarHBondContact O-CA 3.17Å; V53-P71 WeakPolarHBondContact O-CB 3.44Å; V55-P71 HydrophobicContact CB-CB 4.11Å; V55-P71 HydrophobicContact CG2-CB 3.4Å; V55-P71 VanDerWaalsContact CG2-CB 3.4Å; V55-P71 HydrophobicContact CG2-CG 4.03Å; Y69-P71 WeakPolarHBondContact O-CD 3.23Å; P71-I73 HydrophobicContact CB-CG1 4.3Å; P71-I73 HydrophobicContact CG-CD1 4.07Å; P71-I73 HydrophobicContact CG-CG1 3.63Å; P71-I96 HydrophobicContact CG-CG2 4.03Å; P71-I96 WeakPolarHBondContact O-CG2 3.37Å
72T91.8Very high86.1Confident4 Ų443.7 Ų43.73%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-93.4130141.5-59.30000107.9K52 V53 L54 V55 D97 R99 M105 F110K52-T72 VanDerWaalsContact CD-OG1 3.28Å; K52-T72 WeakPolarHBondContact CD-OG1 3.44Å; V53-T72 PolarHBondContact O-N 3.48Å; L54-T72 WeakPolarHBondContact CA-O 3.19Å; V55-T72 PolarHBondContact N-O 2.91Å; T72-D97 CarbonylContact C-O 3.55Å; T72-D97 WeakPolarHBondContact CA-O 3.32Å; T72-D97 HydrophobicContact CG2-CB 4.19Å; T72-R99 HydrophobicContact CG2-CG 4.48Å; T72-M105 HydrophobicContact CG2-CE 3.94Å; T72-F110 HydrophobicContact CG2-CE1 4.2Å; T72-F110 HydrophobicContact CG2-CZ 4.06Å
73I93.3Very high86.2Confident3 Ų344.1 Ų44.12%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-99.7124.5-177.6-64.5165.1000109.1V55 L67 P71 V91 I96 D97 R98 R99V55-I73 CarbonylContact O-C 3.55Å; V55-I73 WeakPolarHBondContact O-CA 3.37Å; L67-I73 HydrophobicContact CD2-CD1 3.44Å; L67-I73 VanDerWaalsContact CD2-CD1 3.44Å; L67-I73 HydrophobicContact CD2-CG1 3.92Å; P71-I73 HydrophobicContact CB-CG1 4.3Å; P71-I73 HydrophobicContact CG-CD1 4.07Å; P71-I73 HydrophobicContact CG-CG1 3.63Å; I73-V91 HydrophobicContact CD1-CB 4.18Å; I73-V91 HydrophobicContact CD1-CG1 3.64Å; I73-V91 HydrophobicContact CD1-CG2 3.39Å; I73-I96 HydrophobicContact CD1-CG2 3.6Å; I73-I96 HydrophobicContact CG1-CG2 4.06Å; I73-D97 PolarHBondContact N-O 2.85Å; I73-R98 HydrophobicContact CB-CB 4.38Å; I73-R98 HydrophobicContact CB-CG 4.25Å; I73-R98 HydrophobicContact CG2-CG 4.11Å; I73-R98 CarbonylContact O-C 3.44Å; I73-R98 WeakPolarHBondContact O-CA 3.32Å; I73-R99 PolarHBondContact O-N 3.07Å
74L95.3Very high86.6Confident0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-97.1108.9161.8176.762.5000108.2L54 V55 I56 C57 P76 R99 L102 I133L54-L74 HydrophobicContact CD1-CB 4.07Å; V55-L74 PolarHBondContact O-N 2.99Å; I56-L74 WeakPolarHBondContact CA-O 3.29Å; I56-L74 HydrophobicContact CG1-CB 4.38Å; I56-L74 HydrophobicContact CG1-CD2 4.26Å; I56-L74 HydrophobicContact CG2-CB 4.47Å; I56-L74 HydrophobicContact CG2-CD2 4.02Å; I56-L74 HydrophobicContact CG2-CG 4.32Å; C57-L74 PolarHBondContact N-O 3.44Å; L74-P76 HydrophobicContact CD1-CG 4.2Å; L74-P76 HydrophobicContact CG-CG 3.97Å; L74-R99 CarbonylContact C-O 3.56Å; L74-R99 WeakPolarHBondContact CA-O 3.3Å; L74-R99 HydrophobicContact CD1-CB 4.44Å; L74-L102 HydrophobicContact CD2-CD1 4.45Å; L74-L102 HydrophobicContact CD2-CD2 3.54Å; L74-L102 HydrophobicContact CD2-CG 3.74Å; L74-I133 HydrophobicContact CD2-CD1 4.03Å; L74-I133 HydrophobicContact CD2-CG1 4.28Å; L74-I133 HydrophobicContact CD2-CG2 4Å
75Y95.4Very high87.2Confident9 Ų947.4 Ų47.44%0.03526%0.258CS..  trans-120.689.8174.2-171.7-150.7000110.6C57 G58 K77 P79 C88 R99C57-Y75 HydrophobicContact CB-CD2 3.73Å; C57-Y75 HydrophobicContact CB-CE2 4.41Å; C57-Y75 HydrophobicContact CB-CG 4.21Å; G58-Y75 VanDerWaalsContact O-CE2 3.28Å; G58-Y75 WeakPolarHBondContact O-CE2 3.36Å; Y75-K77 VanDerWaalsContact C-N 3.32Å; Y75-K77 WeakPolarHBondContact CE1-O 3.42Å; Y75-K77 WeakPolarHBondContact CE2-O 3.38Å; Y75-K77 VanDerWaalsContact CZ-O 3.27Å; Y75-K77 PolarHBondContact O-N 3.43Å; Y75-P79 HydrophobicContact CE1-CB 4.08Å; Y75-P79 HydrophobicContact CE1-CG 4.47Å; Y75-P79 WeakPolarHBondContact OH-CA 2.83Å; Y75-C88 VanDerWaalsContact CE1-SG 3.57Å; Y75-R99 PolarHBondContact N-O 2.56Å
76P94.5Very high87.5Confident20 Ų2049.7 Ų49.713%0.1327%0.27CS..  trans-75.2-14.2-167.9-17.831.1000116.1C57 L74 Q100 P129 F130 I133C57-P76 WeakPolarHBondContact O-CD 3.45Å; L74-P76 HydrophobicContact CD1-CG 4.2Å; L74-P76 HydrophobicContact CG-CG 3.97Å; P76-Q100 VanDerWaalsContact CA-O 3.26Å; P76-Q100 WeakPolarHBondContact CA-O 3.22Å; P76-P129 HydrophobicContact CB-CG 3.49Å; P76-P129 VanDerWaalsContact CB-CG 3.49Å; P76-P129 HydrophobicContact CG-CG 4.33Å; P76-F130 HydrophobicContact CB-CE1 4.44Å; P76-F130 HydrophobicContact CG-CD1 4.45Å; P76-F130 HydrophobicContact CG-CE1 3.89Å; P76-I133 HydrophobicContact CB-CD1 4.03Å; P76-I133 HydrophobicContact CG-CD1 3.33Å
77K91.7Very high88.2Confident91 Ų9150.5 Ų50.540%0.39627%0.273SS..SBendtrans-116.1144.6-179.3-68.3-63.8-169.8-1700109.1P59 Y75 F130P59-K77 HydrophobicContact CB-CB 4.42Å; Y75-K77 VanDerWaalsContact C-N 3.32Å; Y75-K77 WeakPolarHBondContact CE1-O 3.42Å; Y75-K77 WeakPolarHBondContact CE2-O 3.38Å; Y75-K77 VanDerWaalsContact CZ-O 3.27Å; Y75-K77 PolarHBondContact O-N 3.43Å; K77-F130 HydrophobicContact CG-CE2 3.99Å; K77-F130 HydrophobicContact CG-CZ 3.88Å
78S85.5Confident88.8Confident87 Ų8749.4 Ų49.461%0.60827%0.268SS*.  trans-62.9142.9172.4-57.50000110.8N80S78-N80 PolarHBondContact O-N 2.82Å
79P85.8Confident90Very high32 Ų3250.9 Ų50.921%0.20827%0.269CS..  trans-61130.5175.127.1-35.6000110.6Y75 M84 N85Y75-P79 HydrophobicContact CE1-CB 4.08Å; Y75-P79 HydrophobicContact CE1-CG 4.47Å; Y75-P79 WeakPolarHBondContact OH-CA 2.83Å; P79-M84 HydrophobicContact CB-CB 3.57Å; P79-N85 VanDerWaalsContact CG-OD1 3.24Å; P79-N85 WeakPolarHBondContact CG-OD1 3.24Å
80N87.5Confident91Very high128 Ų12852.4 Ų52.468%0.68428%0.279SS*.  trans-112.17.4-178.466.9-5.2000113.2S78S78-N80 PolarHBondContact O-N 2.82Å
81S91.1Very high91.7Very high38 Ų3844.6 Ų44.627%0.26624%0.242SC..SBendtrans-133.2156.8177.473.70000110.7L83 M84 N85S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 3.39Å; S81-M84 PolarHBondContact O-N 2.88Å; S81-M84 WeakPolarHBondContact OG-CB 3.42Å; S81-M84 WeakPolarHBondContact OG-CG 3.48Å; S81-M84 PolarHBondContact OG-N 3.27Å; S81-M84 VanDerWaalsContact OG-N 3.12Å; S81-N85 PolarHBondContact O-N 3.42Å; S81-N85 PolarHBondContact O-ND2 3.48Å
82Q92.9Very high92Very high139 Ų13947.9 Ų47.965%0.6526%0.26SS*.Hα-helixtrans-59.5-41.6175.7-174.662.649.300111.1M84 N85 N86Q82-M84 PolarHBondContact O-N 2.87Å; Q82-N85 PolarHBondContact O-N 3.41Å; Q82-N86 PolarHBondContact NE2-OD1 3.45Å; Q82-N86 PolarHBondContact O-N 3.06Å; Q82-N86 PolarHBondContact O-OD1 3.34Å
83L91.8Very high92.1Very high23 Ų2354.9 Ų54.912%0.1229%0.294CS..Hα-helixtrans-56.5-51.5177.1176.658.7000111.7V25 D26 M29 S81 N85 N86 L87V25-L83 HydrophobicContact CB-CD2 4.06Å; V25-L83 HydrophobicContact CG1-CD2 3.37Å; D26-L83 VanDerWaalsContact OD1-CD1 3.27Å; D26-L83 WeakPolarHBondContact OD1-CD1 3.26Å; M29-L83 HydrophobicContact CE-CD2 3.49Å; M29-L83 VanDerWaalsContact CE-CD2 3.49Å; M29-L83 HydrophobicContact CE-CG 4.31Å; M29-L83 HydrophobicContact SD-CD1 4.24Å; M29-L83 HydrophobicContact SD-CD2 3.85Å; M29-L83 HydrophobicContact SD-CG 4.16Å; S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 3.39Å; L83-N85 VanDerWaalsContact C-N 3.31Å; L83-N85 PolarHBondContact O-N 3.43Å; L83-N86 WeakPolarHBondContact O-CB 3.26Å; L83-N86 PolarHBondContact O-N 3.08Å; L83-N86 VanDerWaalsContact O-N 3.14Å; L83-L87 HydrophobicContact CD1-CD1 4.49Å; L83-L87 HydrophobicContact CG-CD1 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 3.2Å
84M90.7Very high92Very high8 Ų860.4 Ų60.44%0.03932%0.321CS..Hα-helixtrans-66.9-32.6-179.7-71-61.5-158.200113G60 P79 S81 Q82 L87 C88G60-M84 WeakPolarHBondContact O-CE 3.49Å; P79-M84 HydrophobicContact CB-CB 3.57Å; S81-M84 PolarHBondContact O-N 2.88Å; S81-M84 WeakPolarHBondContact OG-CB 3.42Å; S81-M84 WeakPolarHBondContact OG-CG 3.48Å; S81-M84 PolarHBondContact OG-N 3.27Å; S81-M84 VanDerWaalsContact OG-N 3.12Å; Q82-M84 PolarHBondContact O-N 2.87Å; M84-L87 PolarHBondContact O-N 2.96Å; M84-L87 HydrophobicContact SD-CD1 3.87Å; M84-C88 PolarHBondContact O-N 3.47Å; M84-C88 PolarHBondContact O-SG 3.16Å
85N93.4Very high91.7Very high67 Ų6768.5 Ų68.536%0.35836%0.361SS..Hα-helixtrans-65.8-40.6172.5-82.2-77.2000111.6P79 S81 Q82 L83 C88 T89P79-N85 VanDerWaalsContact CG-OD1 3.24Å; P79-N85 WeakPolarHBondContact CG-OD1 3.24Å; S81-N85 PolarHBondContact O-N 3.42Å; S81-N85 PolarHBondContact O-ND2 3.48Å; Q82-N85 PolarHBondContact O-N 3.41Å; L83-N85 VanDerWaalsContact C-N 3.31Å; L83-N85 PolarHBondContact O-N 3.43Å; N85-C88 PolarHBondContact O-N 2.94Å; N85-T89 PolarHBondContact O-N 3.34Å; N85-T89 PolarHBondContact O-OG1 3.14Å
86N94.2Very high91.5Very high65 Ų6569.6 Ų69.635%0.34837%0.367SS..Hα-helixtrans-63.3-44.6175.6-67.2-9.2000110.7Q82 L83 T89 Q90Q82-N86 PolarHBondContact NE2-OD1 3.45Å; Q82-N86 PolarHBondContact O-N 3.06Å; Q82-N86 PolarHBondContact O-OD1 3.34Å; L83-N86 WeakPolarHBondContact O-CB 3.26Å; L83-N86 PolarHBondContact O-N 3.08Å; L83-N86 VanDerWaalsContact O-N 3.14Å; N86-T89 WeakPolarHBondContact O-CB 3.48Å; N86-T89 PolarHBondContact O-N 2.69Å; N86-Q90 WeakPolarHBondContact O-CG 3.37Å; N86-Q90 PolarHBondContact O-N 3Å
87L92.7Very high91.3Very high23 Ų2371.1 Ų71.112%0.1237%0.374CS..Hα-helixtrans-62.5-43.1176.4-68.6173.3000112.5M29 L67 L83 M84 T89 Q90 V91M29-L87 HydrophobicContact SD-CD1 3.61Å; L67-L87 HydrophobicContact CD1-CB 4.05Å; L67-L87 HydrophobicContact CD1-CD1 4.08Å; L67-L87 HydrophobicContact CD1-CD2 4.15Å; L67-L87 HydrophobicContact CD1-CG 4.33Å; L83-L87 HydrophobicContact CD1-CD1 4.49Å; L83-L87 HydrophobicContact CG-CD1 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 3.2Å; M84-L87 PolarHBondContact O-N 2.96Å; M84-L87 HydrophobicContact SD-CD1 3.87Å; L87-T89 VanDerWaalsContact C-N 3.27Å; L87-T89 PolarHBondContact O-N 3.47Å; L87-Q90 PolarHBondContact O-N 3.44Å; L87-V91 WeakPolarHBondContact O-CB 3.37Å; L87-V91 VanDerWaalsContact O-CG2 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.3Å; L87-V91 PolarHBondContact O-N 2.83Å
88C92.7Very high91.4Very high14 Ų1470.1 Ų70.110%0.09537%0.368CS..Hα-helixtrans-59.6-41.8173.8-68.90000111.4Y75 M84 N85 V91 D92Y75-C88 VanDerWaalsContact CE1-SG 3.57Å; M84-C88 PolarHBondContact O-N 3.47Å; M84-C88 PolarHBondContact O-SG 3.16Å; N85-C88 PolarHBondContact O-N 2.94Å; C88-V91 PolarHBondContact O-N 2.77Å; C88-D92 WeakPolarHBondContact O-CB 3.32Å; C88-D92 PolarHBondContact O-N 2.87Å
89T94.7Very high91.8Very high72 Ų7271.8 Ų71.844%0.44236%0.361SS..Hα-helixtrans-61.8-44.3176-56.30000111.2N85 N86 L87 D92 M93N85-T89 PolarHBondContact O-N 3.34Å; N85-T89 PolarHBondContact O-OG1 3.14Å; N86-T89 WeakPolarHBondContact O-CB 3.48Å; N86-T89 PolarHBondContact O-N 2.69Å; L87-T89 VanDerWaalsContact C-N 3.27Å; L87-T89 PolarHBondContact O-N 3.47Å; T89-D92 PolarHBondContact O-N 2.98Å; T89-M93 HydrophobicContact CG2-CE 4.41Å; T89-M93 HydrophobicContact CG2-CG 4.22Å; T89-M93 WeakPolarHBondContact O-CB 3.46Å; T89-M93 WeakPolarHBondContact O-CG 3.24Å; T89-M93 PolarHBondContact O-N 3.42Å
90Q92.5Very high92.1Very high101 Ų10176.1 Ų76.147%0.47238%0.378SS..Hα-helixtrans-62.2-46.6177.1-70.3172.28.800111.5N86 L87 D92 M93 M94N86-Q90 WeakPolarHBondContact O-CG 3.37Å; N86-Q90 PolarHBondContact O-N 3Å; L87-Q90 PolarHBondContact O-N 3.44Å; Q90-D92 VanDerWaalsContact C-N 3.33Å; Q90-D92 PolarHBondContact O-N 3.39Å; Q90-M93 PolarHBondContact O-N 2.88Å; Q90-M94 HydrophobicContact CB-CE 4.08Å; Q90-M94 WeakPolarHBondContact O-CB 3.36Å; Q90-M94 WeakPolarHBondContact O-CE 3.36Å; Q90-M94 VanDerWaalsContact O-CG 3.27Å; Q90-M94 WeakPolarHBondContact O-CG 3.34Å; Q90-M94 PolarHBondContact O-N 3.2Å
91V92Very high92.4Very high5 Ų572.2 Ų72.23%0.0336%0.361CS..Hα-helixtrans-54.8-48.3175.2161.70000111.3L67 I73 L87 C88 M94 M95 I96 R98L67-V91 HydrophobicContact CD1-CG2 4.46Å; I73-V91 HydrophobicContact CD1-CB 4.18Å; I73-V91 HydrophobicContact CD1-CG1 3.64Å; I73-V91 HydrophobicContact CD1-CG2 3.39Å; L87-V91 WeakPolarHBondContact O-CB 3.37Å; L87-V91 VanDerWaalsContact O-CG2 3.32Å; L87-V91 WeakPolarHBondContact O-CG2 3.3Å; L87-V91 PolarHBondContact O-N 2.83Å; C88-V91 PolarHBondContact O-N 2.77Å; V91-M94 PolarHBondContact O-N 3.5Å; V91-M95 PolarHBondContact O-N 2.97Å; V91-I96 HydrophobicContact CG1-CB 3.97Å; V91-I96 HydrophobicContact CG1-CG2 4.12Å; V91-I96 PolarHBondContact O-N 3.1Å; V91-R98 HydrophobicContact CG1-CB 3.8Å; V91-R98 HydrophobicContact CG1-CG 4.33Å
92D92.6Very high92.4Very high77 Ų7771.9 Ų71.941%0.41236%0.356SS..Hα-helixtrans-66.1-41.2-179.9-63.8-12.8000111.2C88 T89 Q90 M95 R98C88-D92 WeakPolarHBondContact O-CB 3.32Å; C88-D92 PolarHBondContact O-N 2.87Å; T89-D92 PolarHBondContact O-N 2.98Å; Q90-D92 VanDerWaalsContact C-N 3.33Å; Q90-D92 PolarHBondContact O-N 3.39Å; D92-M95 PolarHBondContact O-N 3.18Å; D92-R98 VanDerWaalsContact CG-NH2 3.3Å; D92-R98 IonicContact OD1-CZ 3.9Å; D92-R98 IonicContact OD1-NE 3.36Å; D92-R98 PolarHBondContact OD1-NE 3.05Å; D92-R98 IonicContact OD1-NH2 2.81Å; D92-R98 PolarHBondContact OD1-NH2 3.17Å; D92-R98 IonicContact OD2-CZ 2.56Å; D92-R98 IonicContact OD2-NH2 2.65Å; D92-R98 PolarHBondContact OD2-NH2 3.23Å
93M94.9Very high92.2Very high151 Ų15171.1 Ų71.174%0.74436%0.357SS*.Hα-helixtrans-71.2-27.5178.5-68.3-69.3172.100113.5T89 Q90T89-M93 HydrophobicContact CG2-CE 4.41Å; T89-M93 HydrophobicContact CG2-CG 4.22Å; T89-M93 WeakPolarHBondContact O-CB 3.46Å; T89-M93 WeakPolarHBondContact O-CG 3.24Å; T89-M93 PolarHBondContact O-N 3.42Å; Q90-M93 PolarHBondContact O-N 2.88Å
94M90.1Very high92Very high118 Ų11880.7 Ų80.758%0.58140%0.397SS*.THydrogen-bonded Turntrans-84.43.3173.5-69.3-173.1-65.300112.8Q90 V91 I96Q90-M94 HydrophobicContact CB-CE 4.08Å; Q90-M94 WeakPolarHBondContact O-CB 3.36Å; Q90-M94 WeakPolarHBondContact O-CE 3.36Å; Q90-M94 VanDerWaalsContact O-CG 3.27Å; Q90-M94 WeakPolarHBondContact O-CG 3.34Å; Q90-M94 PolarHBondContact O-N 3.2Å; V91-M94 PolarHBondContact O-N 3.5Å; M94-I96 HydrophobicContact CB-CD1 4.05Å; M94-I96 HydrophobicContact CB-CG1 4Å; M94-I96 HydrophobicContact CE-CD1 3.83Å; M94-I96 PolarHBondContact O-N 2.85Å
95M90Very high91.9Very high170 Ų17081.9 Ų81.984%0.83740%0.403SS*.THydrogen-bonded Turntrans59.929.2179.9-54.2-65.8-64.800113.2V91 D92V91-M95 PolarHBondContact O-N 2.97Å; D92-M95 PolarHBondContact O-N 3.18Å
96I90Very high91.6Very high33 Ų3383 Ų8317%0.16941%0.409CS..  trans-79.6130.5176.3-65.1175.6000108.5P71 I73 V91 M94 R98P71-I96 HydrophobicContact CG-CG2 4.03Å; P71-I96 WeakPolarHBondContact O-CG2 3.37Å; I73-I96 HydrophobicContact CD1-CG2 3.6Å; I73-I96 HydrophobicContact CG1-CG2 4.06Å; V91-I96 HydrophobicContact CG1-CB 3.97Å; V91-I96 HydrophobicContact CG1-CG2 4.12Å; V91-I96 PolarHBondContact O-N 3.1Å; M94-I96 HydrophobicContact CB-CD1 4.05Å; M94-I96 HydrophobicContact CB-CG1 4Å; M94-I96 HydrophobicContact CE-CD1 3.83Å; M94-I96 PolarHBondContact O-N 2.85Å; I96-R98 PolarHBondContact O-N 3.31Å; I96-R98 VanDerWaalsContact O-N 3.17Å
97D91.3Very high91.2Very high51 Ų5181 Ų8127%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-67.5115.4-178.6-173.212.2000110.5T72 I73 R99T72-D97 CarbonylContact C-O 3.55Å; T72-D97 WeakPolarHBondContact CA-O 3.32Å; T72-D97 HydrophobicContact CG2-CB 4.19Å; I73-D97 PolarHBondContact N-O 2.85Å; D97-R99 IonicContact OD1-CZ 2.86Å; D97-R99 IonicContact OD1-NE 3.23Å; D97-R99 PolarHBondContact OD1-NE 3.01Å; D97-R99 IonicContact OD1-NH2 3.16Å; D97-R99 PolarHBondContact OD1-NH2 3.33Å; D97-R99 IonicContact OD2-CZ 2.88Å; D97-R99 IonicContact OD2-NE 2.66Å; D97-R99 PolarHBondContact OD2-NE 3.24Å; D97-R99 IonicContact OD2-NH2 3.9Å; D97-R99 PolarHBondContact OD2-NH2 3.08Å
98R92.5Very high90.8Very high71 Ų7184.1 Ų84.127%0.26842%0.415SS..EExtended strand (participates in β ladder)trans-119.1127.3180-175.7174.957.382.6-1.5111.2I73 V91 D92 I96I73-R98 HydrophobicContact CB-CB 4.38Å; I73-R98 HydrophobicContact CB-CG 4.25Å; I73-R98 HydrophobicContact CG2-CG 4.11Å; I73-R98 CarbonylContact O-C 3.44Å; I73-R98 WeakPolarHBondContact O-CA 3.32Å; V91-R98 HydrophobicContact CG1-CB 3.8Å; V91-R98 HydrophobicContact CG1-CG 4.33Å; D92-R98 VanDerWaalsContact CG-NH2 3.3Å; D92-R98 IonicContact OD1-CZ 3.9Å; D92-R98 IonicContact OD1-NE 3.36Å; D92-R98 PolarHBondContact OD1-NE 3.05Å; D92-R98 IonicContact OD1-NH2 2.81Å; D92-R98 PolarHBondContact OD1-NH2 3.17Å; D92-R98 IonicContact OD2-CZ 2.56Å; D92-R98 IonicContact OD2-NH2 2.65Å; D92-R98 PolarHBondContact OD2-NH2 3.23Å; I96-R98 PolarHBondContact O-N 3.31Å; I96-R98 VanDerWaalsContact O-N 3.17Å
99R93.8Very high90.6Very high121 Ų12186.2 Ų86.246%0.45743%0.43SS..EExtended strand (participates in β ladder)trans-121.7150.7-178-54.4-60.8176.6140.63.2111.1T72 I73 L74 Y75 D97 M105T72-R99 HydrophobicContact CG2-CG 4.48Å; I73-R99 PolarHBondContact O-N 3.07Å; L74-R99 CarbonylContact C-O 3.56Å; L74-R99 WeakPolarHBondContact CA-O 3.3Å; L74-R99 HydrophobicContact CD1-CB 4.44Å; Y75-R99 PolarHBondContact N-O 2.56Å; D97-R99 IonicContact OD1-CZ 2.86Å; D97-R99 IonicContact OD1-NE 3.23Å; D97-R99 PolarHBondContact OD1-NE 3.01Å; D97-R99 IonicContact OD1-NH2 3.16Å; D97-R99 PolarHBondContact OD1-NH2 3.33Å; D97-R99 IonicContact OD2-CZ 2.88Å; D97-R99 IonicContact OD2-NE 2.66Å; D97-R99 PolarHBondContact OD2-NE 3.24Å; D97-R99 IonicContact OD2-NH2 3.9Å; D97-R99 PolarHBondContact OD2-NH2 3.08Å; R99-M105 HydrophobicContact CB-CE 3.83Å; R99-M105 HydrophobicContact CG-CE 3.57Å
100Q93.7Very high90.3Very high123 Ų12383.3 Ų83.358%0.57541%0.411SS*.SBendtrans-99.3-14.5175.2-69.9-176.6-30.300113.3P76P76-Q100 VanDerWaalsContact CA-O 3.26Å; P76-Q100 WeakPolarHBondContact CA-O 3.22Å
101S93.4Very high90.1Very high46 Ų4680 Ų8032%0.32240%0.399SS..SBendtrans-143.9165177.169.40000110.6D103S101-D103 WeakPolarHBondContact CB-OD2 3.25Å; S101-D103 PolarHBondContact O-N 3.35Å; S101-D103 WeakPolarHBondContact OG-CB 3.35Å; S101-D103 PolarHBondContact OG-N 2.88Å; S101-D103 PolarHBondContact OG-OD2 2.9Å
102L89.6Confident90.1Very high31 Ų3179.8 Ų79.816%0.16240%0.397CS..SBendtrans-76.80.9170.7-69.4170.1000112.3L74 K104 M105 I107 I133 A136L74-L102 HydrophobicContact CD2-CD1 4.45Å; L74-L102 HydrophobicContact CD2-CD2 3.54Å; L74-L102 HydrophobicContact CD2-CG 3.74Å; L102-K104 PolarHBondContact O-N 3.01Å; L102-M105 HydrophobicContact CD2-SD 3.74Å; L102-M105 WeakPolarHBondContact O-CB 3.42Å; L102-M105 PolarHBondContact O-N 3.24Å; L102-I107 HydrophobicContact CD1-CD1 3.83Å; L102-I107 HydrophobicContact CD2-CD1 3.71Å; L102-I107 HydrophobicContact CD2-CG1 3.84Å; L102-I107 HydrophobicContact CG-CD1 4.26Å; L102-I133 HydrophobicContact CD1-CB 4.29Å; L102-I133 HydrophobicContact CD1-CG1 3.92Å; L102-I133 HydrophobicContact CD1-CG2 4.23Å; L102-I133 HydrophobicContact CG-CG1 4.46Å; L102-A136 HydrophobicContact CD1-CB 4.02Å
103D90.5Very high90.1Very high124 Ų12476.1 Ų76.166%0.66338%0.378SS*.THydrogen-bonded Turntrans-62.8128.2-177.3-58.4-39.2000110.3S101 M105S101-D103 WeakPolarHBondContact CB-OD2 3.25Å; S101-D103 PolarHBondContact O-N 3.35Å; S101-D103 WeakPolarHBondContact OG-CB 3.35Å; S101-D103 PolarHBondContact OG-N 2.88Å; S101-D103 PolarHBondContact OG-OD2 2.9Å; D103-M105 PolarHBondContact O-N 3.45Å; D103-M105 VanDerWaalsContact O-N 3.17Å
104K86.2Confident90.1Very high224 Ų22469 Ų6997%0.97434%0.343SS*.THydrogen-bonded Turntrans62.213.7-176.8-46.9174.4-178.3176.30113.9L102L102-K104 PolarHBondContact O-N 3.01Å
105M88.6Confident90.4Very high33 Ų3363.4 Ų63.416%0.16332%0.315CS..  trans-94.8120.9171.2-174.5-179.8-70.200109L54 T72 R99 L102 D103 I107 F110L54-M105 HydrophobicContact CD1-CE 4.22Å; L54-M105 HydrophobicContact CD1-SD 3.77Å; L54-M105 HydrophobicContact CD2-SD 4.17Å; T72-M105 HydrophobicContact CG2-CE 3.94Å; R99-M105 HydrophobicContact CB-CE 3.83Å; R99-M105 HydrophobicContact CG-CE 3.57Å; L102-M105 HydrophobicContact CD2-SD 3.74Å; L102-M105 WeakPolarHBondContact O-CB 3.42Å; L102-M105 PolarHBondContact O-N 3.24Å; D103-M105 PolarHBondContact O-N 3.45Å; D103-M105 VanDerWaalsContact O-N 3.17Å; M105-I107 PolarHBondContact O-N 2.87Å; M105-F110 HydrophobicContact CE-CZ 4.47Å; M105-F110 HydrophobicContact CG-CE2 3.61Å; M105-F110 HydrophobicContact CG-CZ 3.97Å; M105-F110 HydrophobicContact SD-CE2 3.59Å; M105-F110 VanDerWaalsContact SD-CE2 3.59Å; M105-F110 HydrophobicContact SD-CZ 3.82Å
106D88.3Confident90.7Very high91 Ų9155.3 Ų55.349%0.48728%0.275SS..  trans-81.696.7168.2-179.116.6000109.1N108 S109D106-N108 PolarHBondContact O-N 3.49Å; D106-N108 VanDerWaalsContact O-N 3.13Å; D106-N108 VanDerWaalsContact OD1-CB 3.28Å; D106-N108 WeakPolarHBondContact OD1-CB 3.15Å; D106-N108 PolarHBondContact OD1-N 2.77Å; D106-N108 PolarHBondContact OD1-ND2 2.84Å; D106-S109 WeakPolarHBondContact O-CB 3.3Å; D106-S109 PolarHBondContact O-N 3.22Å; D106-S109 PolarHBondContact O-OG 3.42Å
107I86.1Confident91Very high21 Ų2153.8 Ų53.811%0.10827%0.268CS..G310 helixtrans-58.2-27.3177.9-57.6172.7000110.6L54 L102 M105 S109 F110 A136 P138L54-I107 HydrophobicContact CD2-CG2 4.48Å; L102-I107 HydrophobicContact CD1-CD1 3.83Å; L102-I107 HydrophobicContact CD2-CD1 3.71Å; L102-I107 HydrophobicContact CD2-CG1 3.84Å; L102-I107 HydrophobicContact CG-CD1 4.26Å; M105-I107 PolarHBondContact O-N 2.87Å; I107-S109 PolarHBondContact O-N 2.81Å; I107-F110 WeakPolarHBondContact O-CD2 3.44Å; I107-F110 PolarHBondContact O-N 3.39Å; I107-A136 HydrophobicContact CD1-CB 4.24Å; I107-P138 HydrophobicContact CG2-CG 4.03Å
108N84.2Confident91.2Very high89 Ų8953 Ų5348%0.47626%0.262SS..G310 helixtrans-73.7-13.1-179.2-57.8-62.9000113.7D106 F110 R143D106-N108 PolarHBondContact O-N 3.49Å; D106-N108 VanDerWaalsContact O-N 3.13Å; D106-N108 VanDerWaalsContact OD1-CB 3.28Å; D106-N108 WeakPolarHBondContact OD1-CB 3.15Å; D106-N108 PolarHBondContact OD1-N 2.77Å; D106-N108 PolarHBondContact OD1-ND2 2.84Å; N108-F110 VanDerWaalsContact C-N 3.32Å; N108-R143 PolarHBondContact O-NE 2.92Å; N108-R143 PolarHBondContact O-NH2 3.02Å
109S86.8Confident91.4Very high59 Ų5949.9 Ų49.941%0.41325%0.252SS..G310 helixtrans-78.1-14.7176.372.90000113.8D106 I107D106-S109 WeakPolarHBondContact O-CB 3.3Å; D106-S109 PolarHBondContact O-N 3.22Å; D106-S109 PolarHBondContact O-OG 3.42Å; I107-S109 PolarHBondContact O-N 2.81Å
110F89.4Confident91.5Very high11 Ų1146 Ų465%0.04824%0.239CC..  trans-84.3144.2176.6-58.1-77.8000111.1K52 L54 T72 M105 I107 N108K52-F110 HydrophobicContact CB-CD1 3.76Å; K52-F110 HydrophobicContact CB-CE1 3.84Å; K52-F110 WeakPolarHBondContact O-CA 3.33Å; K52-F110 WeakPolarHBondContact O-CB 3.38Å; K52-F110 VanDerWaalsContact O-CD1 3.3Å; K52-F110 WeakPolarHBondContact O-CD1 3.33Å; L54-F110 HydrophobicContact CB-CB 4.15Å; L54-F110 HydrophobicContact CB-CD1 3.73Å; L54-F110 HydrophobicContact CB-CD2 3.81Å; L54-F110 HydrophobicContact CB-CE1 4.07Å; L54-F110 HydrophobicContact CB-CE2 4.12Å; L54-F110 HydrophobicContact CB-CG 3.62Å; L54-F110 HydrophobicContact CB-CZ 4.25Å; L54-F110 HydrophobicContact CD1-CE1 4.45Å; L54-F110 HydrophobicContact CD1-CE2 4.2Å; L54-F110 HydrophobicContact CD1-CZ 4.07Å; L54-F110 HydrophobicContact CD2-CD2 4.01Å; L54-F110 HydrophobicContact CD2-CE2 4.04Å; L54-F110 HydrophobicContact CG-CD2 4.39Å; L54-F110 HydrophobicContact CG-CE2 4.35Å; T72-F110 HydrophobicContact CG2-CE1 4.2Å; T72-F110 HydrophobicContact CG2-CZ 4.06Å; M105-F110 HydrophobicContact CE-CZ 4.47Å; M105-F110 HydrophobicContact CG-CE2 3.61Å; M105-F110 HydrophobicContact CG-CZ 3.97Å; M105-F110 HydrophobicContact SD-CE2 3.59Å; M105-F110 VanDerWaalsContact SD-CE2 3.59Å; M105-F110 HydrophobicContact SD-CZ 3.82Å; I107-F110 WeakPolarHBondContact O-CD2 3.44Å; I107-F110 PolarHBondContact O-N 3.39Å; N108-F110 VanDerWaalsContact C-N 3.32Å
111S88.6Confident91.6Very high30 Ų3043.9 Ų43.921%0.2124%0.237CC..SBendtrans-80.5-29.6177.652.10000112.5F48 N51 K52 P144F48-S111 VanDerWaalsContact CD1-OG 3.23Å; F48-S111 WeakPolarHBondContact CD1-OG 3.34Å; N51-S111 PolarHBondContact O-OG 2.82Å; K52-S111 PolarHBondContact O-N 3.48Å; K52-S111 VanDerWaalsContact O-N 3.17Å; K52-S111 PolarHBondContact O-OG 2.97Å; S111-P144 WeakPolarHBondContact O-CD 3.39Å
112L90.8Very high91.7Very high1 Ų142.4 Ų42.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-153164.2175.962.872.5000110.9I40 Y44 F48 V53 L54 V114 P144 I146I40-L112 HydrophobicContact CG2-CD2 3.81Å; Y44-L112 HydrophobicContact CD2-CD2 4.27Å; Y44-L112 HydrophobicContact CG-CD2 4.27Å; F48-L112 HydrophobicContact CD1-CD2 4.26Å; F48-L112 HydrophobicContact CE1-CD2 3.37Å; F48-L112 HydrophobicContact CE1-CG 4.17Å; F48-L112 HydrophobicContact CE2-CD2 4.22Å; F48-L112 HydrophobicContact CZ-CD2 3.36Å; F48-L112 HydrophobicContact CZ-CG 4.42Å; V53-L112 HydrophobicContact CB-CD1 3.84Å; V53-L112 HydrophobicContact CG1-CD1 3.41Å; V53-L112 VanDerWaalsContact CG1-CD1 3.41Å; V53-L112 HydrophobicContact CG2-CD1 3.56Å; V53-L112 HydrophobicContact CG2-CD2 4.3Å; V53-L112 HydrophobicContact CG2-CG 3.9Å; L54-L112 PolarHBondContact N-O 2.76Å; L54-L112 VanDerWaalsContact N-O 3.15Å; L112-V114 HydrophobicContact CD1-CG2 3.9Å; L112-P144 HydrophobicContact CB-CG 3.94Å; L112-P144 WeakPolarHBondContact CB-O 3.29Å; L112-I146 HydrophobicContact CB-CD1 3.83Å; L112-I146 HydrophobicContact CD1-CD1 3.8Å; L112-I146 HydrophobicContact CD2-CD1 3.88Å; L112-I146 HydrophobicContact CG-CD1 4.06Å
113V93.3Very high91.7Very high1 Ų149.4 Ų49.41%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-124.4128.6177.5-178.10000109.6L54 I56 L137 P144 I145 I146L54-V113 HydrophobicContact CB-CG2 4.41Å; L54-V113 HydrophobicContact CD2-CG1 4.44Å; L54-V113 HydrophobicContact CD2-CG2 4.41Å; L54-V113 CarbonylContact O-C 3.53Å; L54-V113 WeakPolarHBondContact O-CA 3.3Å; I56-V113 HydrophobicContact CD1-CG1 3.65Å; I56-V113 HydrophobicContact CG1-CG1 4.14Å; V113-L137 HydrophobicContact CG1-CD1 4.2Å; V113-L137 HydrophobicContact CG1-CD2 4.11Å; V113-P144 PolarHBondContact N-O 2.7Å; V113-I145 HydrophobicContact CB-CG1 4.44Å; V113-I145 CarbonylContact O-C 3.48Å; V113-I145 WeakPolarHBondContact O-CA 3.26Å; V113-I146 PolarHBondContact O-N 3.42Å
114V94.9Very high91.5Very high1 Ų146.8 Ų46.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-98.8113.3172-176.70000108.7I40 V53 L54 V55 I56 L112 A116 I146 I148I40-V114 HydrophobicContact CD1-CG1 4.44Å; I40-V114 HydrophobicContact CD1-CG2 3.6Å; V53-V114 HydrophobicContact CG1-CG2 3.83Å; L54-V114 PolarHBondContact O-N 2.83Å; V55-V114 HydrophobicContact CB-CB 4.41Å; V55-V114 HydrophobicContact CG1-CB 4.38Å; V55-V114 HydrophobicContact CG1-CG1 4.45Å; V55-V114 HydrophobicContact CG2-CB 4.02Å; V55-V114 HydrophobicContact CG2-CG2 4.19Å; I56-V114 PolarHBondContact N-O 3.33Å; L112-V114 HydrophobicContact CD1-CG2 3.9Å; V114-A116 HydrophobicContact CG1-CB 4.44Å; V114-A116 PolarHBondContact O-N 3.12Å; V114-I146 CarbonylContact C-O 3.16Å; V114-I146 WeakPolarHBondContact CA-O 3.16Å; V114-I148 HydrophobicContact CG1-CD1 3.93Å; V114-I148 HydrophobicContact CG1-CG1 3.72Å
115D96.2Very high91.7Very high0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-81.896169.2164.532000109.4I117 I145 I146 S147 I148 S152 L166D115-I117 WeakPolarHBondContact OD1-CG1 3.15Å; D115-I117 PolarHBondContact OD1-N 2.97Å; D115-I145 HydrophobicContact CB-CG2 4.21Å; D115-I146 PolarHBondContact N-O 2.85Å; D115-S147 WeakPolarHBondContact OD2-CB 3.28Å; D115-S147 PolarHBondContact OD2-OG 3.39Å; D115-I148 PolarHBondContact O-N 3.03Å; D115-S152 VanDerWaalsContact CG-OG 3.26Å; D115-S152 WeakPolarHBondContact OD1-CB 3.08Å; D115-S152 PolarHBondContact OD1-OG 3.22Å; D115-S152 WeakPolarHBondContact OD2-CB 3.46Å; D115-S152 PolarHBondContact OD2-N 2.89Å; D115-S152 PolarHBondContact OD2-OG 3.49Å; D115-L166 HydrophobicContact CB-CD2 4.01Å; D115-L166 WeakPolarHBondContact OD2-CD2 3.33Å
116A97Very high91.8Very high0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-11133.217400000110.5V55 I56 G58 N62 G63 V114 I148V55-A116 HydrophobicContact CG1-CB 4.26Å; I56-A116 CarbonylContact O-C 3.58Å; I56-A116 WeakPolarHBondContact O-CA 3.47Å; I56-A116 WeakPolarHBondContact O-CB 3.48Å; I56-A116 PolarHBondContact O-N 3.17Å; G58-A116 PolarHBondContact N-O 2.81Å; N62-A116 CarbonylContact C-O 3.54Å; N62-A116 VanDerWaalsContact ND2-C 3.29Å; N62-A116 PolarHBondContact ND2-O 3.1Å; N62-A116 WeakPolarHBondContact O-CB 3.44Å; G63-A116 WeakPolarHBondContact CA-O 3.32Å; G63-A116 PolarHBondContact N-O 2.99Å; V114-A116 HydrophobicContact CG1-CB 4.44Å; V114-A116 PolarHBondContact O-N 3.12Å; A116-I148 HydrophobicContact CB-CG1 4.3Å
117I96.3Very high92Very high2 Ų246.6 Ų46.61%0.0124%0.24CC..SBendtrans-82.6-60.8-171.9-49.1171.8000111.6I56 G58 D115 F130 I134 S152I56-I117 HydrophobicContact CB-CD1 4.4Å; I56-I117 HydrophobicContact CB-CG1 4.15Å; I56-I117 HydrophobicContact CG2-CD1 3.74Å; I56-I117 HydrophobicContact CG2-CG1 3.69Å; I56-I117 PolarHBondContact O-N 3.36Å; G58-I117 VanDerWaalsContact CA-O 3.3Å; G58-I117 WeakPolarHBondContact CA-O 3.42Å; D115-I117 WeakPolarHBondContact OD1-CG1 3.15Å; D115-I117 PolarHBondContact OD1-N 2.97Å; I117-F130 HydrophobicContact CB-CD1 4.45Å; I117-F130 HydrophobicContact CD1-CD1 4.14Å; I117-F130 HydrophobicContact CG1-CD1 4.34Å; I117-F130 HydrophobicContact CG2-CB 4.14Å; I117-F130 HydrophobicContact CG2-CD1 3.3Å; I117-F130 HydrophobicContact CG2-CD2 4.33Å; I117-F130 HydrophobicContact CG2-CE1 3.67Å; I117-F130 HydrophobicContact CG2-CG 3.67Å; I117-F130 HydrophobicContact CG2-CZ 4.34Å; I117-I134 HydrophobicContact CD1-CD1 3.66Å; I117-I134 HydrophobicContact CD1-CG1 3.97Å; I117-S152 WeakPolarHBondContact CB-OG 3.47Å
118F95.9Very high92.4Very high34 Ų3450.7 Ų50.715%0.14926%0.258CS..  trans-130.5128.8-175.9-57-63.5000111.8P59 F122 M126 F130 I150 S152P59-F118 HydrophobicContact CG-CE1 4.47Å; F118-F122 HydrophobicContact CB-CB 3.85Å; F118-F122 HydrophobicContact CB-CD2 3.66Å; F118-F122 HydrophobicContact CB-CE2 4.48Å; F118-F122 HydrophobicContact CB-CG 3.84Å; F118-F122 AromaticContact CD1-CD2 3.87Å; F118-F122 HydrophobicContact CD1-CD2 3.87Å; F118-F122 HydrophobicContact CD1-CE2 4.39Å; F118-F122 AromaticContact CD2-CD2 3.72Å; F118-F122 HydrophobicContact CD2-CD2 3.72Å; F118-F122 AromaticContact CD2-CE2 3.7Å; F118-F122 HydrophobicContact CD2-CE2 3.7Å; F118-F122 HydrophobicContact CD2-CZ 4.46Å; F118-F122 HydrophobicContact CE1-CD2 4.43Å; F118-F122 HydrophobicContact CE2-CD2 4.32Å; F118-F122 AromaticContact CE2-CE2 3.95Å; F118-F122 HydrophobicContact CE2-CE2 3.95Å; F118-F122 AromaticContact CG-CD2 3.47Å; F118-F122 HydrophobicContact CG-CD2 3.47Å; F118-F122 VanDerWaalsContact CG-CD2 3.47Å; F118-F122 AromaticContact CG-CE2 3.95Å; F118-F122 HydrophobicContact CG-CE2 3.95Å; F118-F122 HydrophobicContact CG-CG 4.17Å; F118-F122 HydrophobicContact CZ-CE2 4.38Å; F118-M126 HydrophobicContact CD2-CE 3.98Å; F118-M126 HydrophobicContact CE2-CE 3.96Å; F118-M126 HydrophobicContact CE2-CG 3.86Å; F118-M126 HydrophobicContact CE2-SD 4.19Å; F118-F130 HydrophobicContact CE1-CD2 4.48Å; F118-F130 HydrophobicContact CE2-CB 4.02Å; F118-F130 HydrophobicContact CE2-CD2 4.28Å; F118-F130 HydrophobicContact CE2-CG 4.19Å; F118-F130 HydrophobicContact CZ-CB 4.21Å; F118-F130 AromaticContact CZ-CD2 3.62Å; F118-F130 HydrophobicContact CZ-CD2 3.62Å; F118-F130 HydrophobicContact CZ-CE2 4.17Å; F118-F130 AromaticContact CZ-CG 3.97Å; F118-F130 HydrophobicContact CZ-CG 3.97Å; F118-I150 VanDerWaalsContact O-CG1 3.25Å; F118-I150 WeakPolarHBondContact O-CG1 3.44Å; F118-S152 PolarHBondContact N-OG 2.85Å
119G95.6Very high92.9Very high6 Ų648.3 Ų48.36%0.06225%0.248CC..  trans-97.7-161.3173.700000112.7S121 F122 D149 I150G119-S121 PolarHBondContact O-N 2.71Å; G119-F122 VanDerWaalsContact O-CB 3.28Å; G119-F122 WeakPolarHBondContact O-CB 3.47Å; G119-F122 PolarHBondContact O-N 3.4Å; G119-D149 WeakPolarHBondContact CA-OD2 3.42Å; G119-I150 VanDerWaalsContact C-CD1 3.48Å; G119-I150 WeakPolarHBondContact O-CD1 3.03Å
120F96.8Very high93.3Very high39 Ų3945.9 Ų45.917%0.17123%0.23CC..THydrogen-bonded Turntrans-53.1-20.6-175.169.8-93.4000115.9Q7 A10 I11 D14 F122 D149 V156 K178Q7-F120 WeakPolarHBondContact CG-O 3.44Å; Q7-F120 PolarHBondContact NE2-O 2.89Å; A10-F120 HydrophobicContact CB-CB 3.9Å; A10-F120 HydrophobicContact CB-CD2 3.74Å; A10-F120 HydrophobicContact CB-CG 3.92Å; I11-F120 HydrophobicContact CB-CE2 4.45Å; I11-F120 HydrophobicContact CG1-CD2 3.94Å; I11-F120 HydrophobicContact CG1-CE2 3.78Å; D14-F120 HydrophobicContact CB-CE2 4.26Å; D14-F120 HydrophobicContact CB-CZ 3.72Å; F120-F122 VanDerWaalsContact C-N 3.29Å; F120-D149 WeakPolarHBondContact CB-OD2 3.31Å; F120-D149 WeakPolarHBondContact CD1-OD2 3.36Å; F120-D149 PolarHBondContact N-OD2 3.26Å; F120-V156 WeakPolarHBondContact O-CG2 3.44Å; F120-K178 HydrophobicContact CB-CD 3.93Å; F120-K178 HydrophobicContact CB-CG 4Å
121S95.5Very high93.5Very high79 Ų7946.9 Ų46.955%0.55224%0.24SC*.THydrogen-bonded Turntrans-85-0.817860.20000113.7G119G119-S121 PolarHBondContact O-N 2.71Å
122F95Very high93.7Very high15 Ų1548.6 Ų48.67%0.06625%0.252CS..  trans-58.3139.2179.3-176.4-119.3000112.5Q7 F118 G119 F120 P124 M126 I150 W154Q7-F122 PolarHBondContact NE2-O 3.21Å; F118-F122 HydrophobicContact CB-CB 3.85Å; F118-F122 HydrophobicContact CB-CD2 3.66Å; F118-F122 HydrophobicContact CB-CE2 4.48Å; F118-F122 HydrophobicContact CB-CG 3.84Å; F118-F122 AromaticContact CD1-CD2 3.87Å; F118-F122 HydrophobicContact CD1-CD2 3.87Å; F118-F122 HydrophobicContact CD1-CE2 4.39Å; F118-F122 AromaticContact CD2-CD2 3.72Å; F118-F122 HydrophobicContact CD2-CD2 3.72Å; F118-F122 AromaticContact CD2-CE2 3.7Å; F118-F122 HydrophobicContact CD2-CE2 3.7Å; F118-F122 HydrophobicContact CD2-CZ 4.46Å; F118-F122 HydrophobicContact CE1-CD2 4.43Å; F118-F122 HydrophobicContact CE2-CD2 4.32Å; F118-F122 AromaticContact CE2-CE2 3.95Å; F118-F122 HydrophobicContact CE2-CE2 3.95Å; F118-F122 AromaticContact CG-CD2 3.47Å; F118-F122 HydrophobicContact CG-CD2 3.47Å; F118-F122 VanDerWaalsContact CG-CD2 3.47Å; F118-F122 AromaticContact CG-CE2 3.95Å; F118-F122 HydrophobicContact CG-CE2 3.95Å; F118-F122 HydrophobicContact CG-CG 4.17Å; F118-F122 HydrophobicContact CZ-CE2 4.38Å; G119-F122 VanDerWaalsContact O-CB 3.28Å; G119-F122 WeakPolarHBondContact O-CB 3.47Å; G119-F122 PolarHBondContact O-N 3.4Å; F120-F122 VanDerWaalsContact C-N 3.29Å; F122-P124 HydrophobicContact CE1-CB 4.47Å; F122-P124 HydrophobicContact CE1-CG 3.96Å; F122-M126 HydrophobicContact CZ-CB 4.12Å; F122-I150 HydrophobicContact CB-CD1 4.11Å; F122-W154 WeakPolarHBondContact CD1-O 3.35Å
123R90.9Very high93.9Very high177 Ų17749 Ų4967%0.66825%0.254SS*.  trans-129.3122.7170.6-63.9-174.1-178.4-164.4-0.7108.7
124P86.2Confident93.9Very high69 Ų6950.1 Ų50.145%0.44826%0.26SS..SBendtrans-57154173.4-25.134.1000112.5F122F122-P124 HydrophobicContact CE1-CB 4.47Å; F122-P124 HydrophobicContact CE1-CG 3.96Å
125P89.8Confident93.7Very high107 Ų10757 Ų5770%0.69529%0.29SS*.SBendcis-86.1156.70.634.2-35.1000113.5
126M91.2Very high93.5Very high39 Ų3959.5 Ų59.519%0.19231%0.31CS..PPolyproline II helixtrans-65.6133.3168.8-175.1174-5600110.2F118 F122 F130 A131 I134 S152 G153F118-M126 HydrophobicContact CD2-CE 3.98Å; F118-M126 HydrophobicContact CE2-CE 3.96Å; F118-M126 HydrophobicContact CE2-CG 3.86Å; F118-M126 HydrophobicContact CE2-SD 4.19Å; F122-M126 HydrophobicContact CZ-CB 4.12Å; M126-F130 HydrophobicContact CG-CB 4.02Å; M126-F130 HydrophobicContact SD-CB 3.84Å; M126-A131 HydrophobicContact CG-CB 4.16Å; M126-A131 HydrophobicContact SD-CB 4.42Å; M126-I134 HydrophobicContact CE-CG1 4.05Å; M126-I134 HydrophobicContact SD-CB 4.35Å; M126-I134 HydrophobicContact SD-CG1 3.82Å; M126-S152 VanDerWaalsContact CE-C 3.48Å; M126-G153 VanDerWaalsContact CE-N 3.26Å
127R92.5Very high93.2Very high199 Ų19959.9 Ų59.975%0.75131%0.312SS*.  trans-108.5161.2-178.8-63.5-175.2-65.8168.2-1111.9F130 A131R127-F130 PolarHBondContact O-N 2.86Å; R127-F130 VanDerWaalsContact O-N 3.09Å; R127-A131 PolarHBondContact O-N 3.29Å
128E94.2Very high92.6Very high107 Ų10760.6 Ų60.650%0.532%0.317SS..THydrogen-bonded Turntrans-64.2145.9173.8-65.7-59.9171.900113.1S132E128-S132 PolarHBondContact OE1-OG 2.95Å; E128-S132 WeakPolarHBondContact OE2-CB 3.32Å; E128-S132 PolarHBondContact OE2-N 2.98Å; E128-S132 PolarHBondContact OE2-OG 3.31Å
129P95.1Very high91.8Very high38 Ų3867.4 Ų67.425%0.24735%0.346CS..THydrogen-bonded Turncis-86.5-0.37.236.4-36.5000114.3P76 A131 S132 I133P76-P129 HydrophobicContact CB-CG 3.49Å; P76-P129 VanDerWaalsContact CB-CG 3.49Å; P76-P129 HydrophobicContact CG-CG 4.33Å; P129-A131 PolarHBondContact O-N 2.88Å; P129-S132 PolarHBondContact O-N 2.65Å; P129-I133 HydrophobicContact CB-CD1 4.19Å; P129-I133 HydrophobicContact CG-CD1 4.26Å; P129-I133 WeakPolarHBondContact O-CD1 3.48Å; P129-I133 VanDerWaalsContact O-CG1 3.26Å; P129-I133 WeakPolarHBondContact O-CG1 3.46Å; P129-I133 PolarHBondContact O-N 2.81Å
130F95.1Very high91.1Very high8 Ų870 Ų704%0.03536%0.359CS..Hα-helixtrans-69.5-35.3-169.9-59.4-69.9000113P59 P76 K77 I117 F118 M126 R127 S132 I133 I134P59-F130 HydrophobicContact CG-CE2 4.33Å; P59-F130 HydrophobicContact CG-CZ 4.43Å; P76-F130 HydrophobicContact CB-CE1 4.44Å; P76-F130 HydrophobicContact CG-CD1 4.45Å; P76-F130 HydrophobicContact CG-CE1 3.89Å; K77-F130 HydrophobicContact CG-CE2 3.99Å; K77-F130 HydrophobicContact CG-CZ 3.88Å; I117-F130 HydrophobicContact CB-CD1 4.45Å; I117-F130 HydrophobicContact CD1-CD1 4.14Å; I117-F130 HydrophobicContact CG1-CD1 4.34Å; I117-F130 HydrophobicContact CG2-CB 4.14Å; I117-F130 HydrophobicContact CG2-CD1 3.3Å; I117-F130 HydrophobicContact CG2-CD2 4.33Å; I117-F130 HydrophobicContact CG2-CE1 3.67Å; I117-F130 HydrophobicContact CG2-CG 3.67Å; I117-F130 HydrophobicContact CG2-CZ 4.34Å; F118-F130 HydrophobicContact CE1-CD2 4.48Å; F118-F130 HydrophobicContact CE2-CB 4.02Å; F118-F130 HydrophobicContact CE2-CD2 4.28Å; F118-F130 HydrophobicContact CE2-CG 4.19Å; F118-F130 HydrophobicContact CZ-CB 4.21Å; F118-F130 AromaticContact CZ-CD2 3.62Å; F118-F130 HydrophobicContact CZ-CD2 3.62Å; F118-F130 HydrophobicContact CZ-CE2 4.17Å; F118-F130 AromaticContact CZ-CG 3.97Å; F118-F130 HydrophobicContact CZ-CG 3.97Å; M126-F130 HydrophobicContact CG-CB 4.02Å; M126-F130 HydrophobicContact SD-CB 3.84Å; R127-F130 PolarHBondContact O-N 2.86Å; R127-F130 VanDerWaalsContact O-N 3.09Å; F130-S132 PolarHBondContact O-N 2.88Å; F130-I133 HydrophobicContact CD1-CD1 4.4Å; F130-I133 PolarHBondContact O-N 2.96Å; F130-I134 WeakPolarHBondContact O-CG1 3.13Å; F130-I134 PolarHBondContact O-N 3.37Å
131A93.1Very high90Very high33 Ų3374.9 Ų74.927%0.27339%0.387SS..Hα-helixtrans-58.8-47.8175.400000111.3M126 R127 P129 K135M126-A131 HydrophobicContact CG-CB 4.16Å; M126-A131 HydrophobicContact SD-CB 4.42Å; R127-A131 PolarHBondContact O-N 3.29Å; P129-A131 PolarHBondContact O-N 2.88Å; A131-K135 WeakPolarHBondContact O-CB 3.42Å; A131-K135 PolarHBondContact O-N 2.89Å; A131-K135 VanDerWaalsContact O-N 3.12Å
132S93.2Very high89.3Confident66 Ų6678.4 Ų78.446%0.46240%0.395SS..Hα-helixtrans-65.7-36.9175.2-730000113.1E128 P129 F130 K135 A136E128-S132 PolarHBondContact OE1-OG 2.95Å; E128-S132 WeakPolarHBondContact OE2-CB 3.32Å; E128-S132 PolarHBondContact OE2-N 2.98Å; E128-S132 PolarHBondContact OE2-OG 3.31Å; P129-S132 PolarHBondContact O-N 2.65Å; F130-S132 PolarHBondContact O-N 2.88Å; S132-K135 PolarHBondContact O-N 3Å; S132-A136 WeakPolarHBondContact O-CB 3.36Å; S132-A136 PolarHBondContact O-N 3.42Å; S132-A136 VanDerWaalsContact O-N 3.1Å
133I94.5Very high89Confident10 Ų1080 Ų805%0.05140%0.4CS..Hα-helixtrans-63.4-50.3177.2-71.7163.3000111.2I56 L74 P76 L102 P129 F130 K135 A136 L137I56-I133 HydrophobicContact CD1-CG2 3.85Å; I56-I133 HydrophobicContact CG2-CG2 3.94Å; L74-I133 HydrophobicContact CD2-CD1 4.03Å; L74-I133 HydrophobicContact CD2-CG1 4.28Å; L74-I133 HydrophobicContact CD2-CG2 4Å; P76-I133 HydrophobicContact CB-CD1 4.03Å; P76-I133 HydrophobicContact CG-CD1 3.33Å; L102-I133 HydrophobicContact CD1-CB 4.29Å; L102-I133 HydrophobicContact CD1-CG1 3.92Å; L102-I133 HydrophobicContact CD1-CG2 4.23Å; L102-I133 HydrophobicContact CG-CG1 4.46Å; P129-I133 HydrophobicContact CB-CD1 4.19Å; P129-I133 HydrophobicContact CG-CD1 4.26Å; P129-I133 WeakPolarHBondContact O-CD1 3.48Å; P129-I133 VanDerWaalsContact O-CG1 3.26Å; P129-I133 WeakPolarHBondContact O-CG1 3.46Å; P129-I133 PolarHBondContact O-N 2.81Å; F130-I133 HydrophobicContact CD1-CD1 4.4Å; F130-I133 PolarHBondContact O-N 2.96Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 2.91Å; I133-A136 WeakPolarHBondContact O-CB 3.27Å; I133-A136 PolarHBondContact O-N 3.39Å; I133-A136 VanDerWaalsContact O-N 3.07Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.04Å
134I92.6Very high89Confident23 Ų2372.1 Ų72.112%0.11837%0.372CS..Hα-helixtrans-58.7-42.9178-73-61.5000110.8I117 M126 F130 A136 L137 L166I117-I134 HydrophobicContact CD1-CD1 3.66Å; I117-I134 HydrophobicContact CD1-CG1 3.97Å; M126-I134 HydrophobicContact CE-CG1 4.05Å; M126-I134 HydrophobicContact SD-CB 4.35Å; M126-I134 HydrophobicContact SD-CG1 3.82Å; F130-I134 WeakPolarHBondContact O-CG1 3.13Å; F130-I134 PolarHBondContact O-N 3.37Å; I134-A136 PolarHBondContact O-N 3.3Å; I134-L137 HydrophobicContact CD1-CD1 3.86Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.39Å; I134-L137 VanDerWaalsContact O-N 3.14Å; I134-L166 HydrophobicContact CD1-CD1 4.23Å; I134-L166 HydrophobicContact CD1-CD2 4.26Å; I134-L166 HydrophobicContact CG2-CD1 4.31Å
135K91.2Very high89.4Confident147 Ų14769.4 Ų69.464%0.63935%0.354SS*.Hα-helixtrans-63.1-28.7177.8-173174.3-179.4176.10113.3A131 S132 I133 L137A131-K135 WeakPolarHBondContact O-CB 3.42Å; A131-K135 PolarHBondContact O-N 2.89Å; A131-K135 VanDerWaalsContact O-N 3.12Å; S132-K135 PolarHBondContact O-N 3Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 2.91Å; K135-L137 VanDerWaalsContact C-N 3.33Å
136A91.1Very high89.7Confident52 Ų5264.3 Ų64.343%0.4332%0.32SS..THydrogen-bonded Turntrans-82.2-9.317900000113.5L102 I107 S132 I133 I134L102-A136 HydrophobicContact CD1-CB 4.02Å; I107-A136 HydrophobicContact CD1-CB 4.24Å; S132-A136 WeakPolarHBondContact O-CB 3.36Å; S132-A136 PolarHBondContact O-N 3.42Å; S132-A136 VanDerWaalsContact O-N 3.1Å; I133-A136 WeakPolarHBondContact O-CB 3.27Å; I133-A136 PolarHBondContact O-N 3.39Å; I133-A136 VanDerWaalsContact O-N 3.07Å; I134-A136 PolarHBondContact O-N 3.3Å
137L90.7Very high90Very high8 Ų862.4 Ų62.44%0.04231%0.311CS..SBendtrans-69.5149.2-179.3-61.5-173.9000112.1I56 V113 I133 I134 K135 K139 I145 L166I56-L137 HydrophobicContact CD1-CD1 4.13Å; I56-L137 HydrophobicContact CD1-CD2 3.63Å; I56-L137 HydrophobicContact CD1-CG 4.44Å; V113-L137 HydrophobicContact CG1-CD1 4.2Å; V113-L137 HydrophobicContact CG1-CD2 4.11Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.04Å; I134-L137 HydrophobicContact CD1-CD1 3.86Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.39Å; I134-L137 VanDerWaalsContact O-N 3.14Å; K135-L137 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.24Å; L137-I145 HydrophobicContact CB-CD1 4.08Å; L137-I145 HydrophobicContact CD1-CD1 4.13Å; L137-L166 HydrophobicContact CD1-CD1 4.2Å
138P83.5Confident90.2Very high16 Ų1653 Ų5310%0.10428%0.276CS..  trans-56.2137.4173.9-22.133.2000110.9I107 R143I107-P138 HydrophobicContact CG2-CG 4.03Å; P138-R143 HydrophobicContact CB-CB 4.16Å; P138-R143 HydrophobicContact CG-CB 4.14Å
139K81Confident90.4Very high177 Ų17748.1 Ų48.177%0.7725%0.253SS*.  trans-101.39.3174.7-59.7-171.4177.1-1680112.5L137L137-K139 PolarHBondContact O-N 3.24Å
140D79Confident90.5Very high62 Ų6246.4 Ų46.433%0.33224%0.242SC..SBendtrans-95.2161-179.767.653.1000111.5Q142 R143D140-Q142 VanDerWaalsContact C-N 3.27Å; D140-Q142 PolarHBondContact O-N 3.19Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.49Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.44Å; D140-Q142 PolarHBondContact OD1-N 2.83Å; D140-R143 PolarHBondContact OD1-N 3.39Å; D140-R143 VanDerWaalsContact OD1-N 3.08Å; D140-R143 IonicContact OD1-NH1 3.52Å; D140-R143 IonicContact OD2-NH1 3.05Å; D140-R143 PolarHBondContact OD2-NH1 3.5Å; D140-R143 VanDerWaalsContact OD2-NH1 3.16Å
141N75.3Confident90.6Very high140 Ų14046 Ų4675%0.74924%0.24SC*.THydrogen-bonded Turntrans-83.81176.6-69-18.6000113.1
142Q80.7Confident90.8Very high154 Ų15444.6 Ų44.672%0.7223%0.228SC*.THydrogen-bonded Turntrans-78.2-28.6179.7-61.9-179.10.100111.1D140 P144D140-Q142 VanDerWaalsContact C-N 3.27Å; D140-Q142 PolarHBondContact O-N 3.19Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.49Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.44Å; D140-Q142 PolarHBondContact OD1-N 2.83Å; Q142-P144 WeakPolarHBondContact O-CD 3.34Å
143R87.5Confident90.8Very high47 Ų4742.8 Ų42.818%0.17722%0.22CC..SBendtrans-11882.5177.9-65.5174.2-169.684.90.5109.2N108 P138 D140 I145N108-R143 PolarHBondContact O-NE 2.92Å; N108-R143 PolarHBondContact O-NH2 3.02Å; P138-R143 HydrophobicContact CB-CB 4.16Å; P138-R143 HydrophobicContact CG-CB 4.14Å; D140-R143 PolarHBondContact OD1-N 3.39Å; D140-R143 VanDerWaalsContact OD1-N 3.08Å; D140-R143 IonicContact OD1-NH1 3.52Å; D140-R143 IonicContact OD2-NH1 3.05Å; D140-R143 PolarHBondContact OD2-NH1 3.5Å; D140-R143 VanDerWaalsContact OD2-NH1 3.16Å; R143-I145 PolarHBondContact O-N 2.81Å
144P91.9Very high90.9Very high12 Ų1242.5 Ų42.58%0.07822%0.218CC..  trans-57.8137.9-176.324.1-34000110.9Y44 S111 L112 V113 Q142 D169Y44-P144 HydrophobicContact CD1-CB 4.41Å; Y44-P144 HydrophobicContact CD1-CG 3.82Å; Y44-P144 HydrophobicContact CE1-CB 3.54Å; Y44-P144 HydrophobicContact CE1-CG 3.45Å; Y44-P144 VanDerWaalsContact CE1-CG 3.45Å; S111-P144 WeakPolarHBondContact O-CD 3.39Å; L112-P144 HydrophobicContact CB-CG 3.94Å; L112-P144 WeakPolarHBondContact CB-O 3.29Å; V113-P144 PolarHBondContact N-O 2.7Å; Q142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-D169 HydrophobicContact CB-CB 3.72Å; P144-D169 WeakPolarHBondContact CB-OD2 3.5Å
145I94.6Very high91Very high12 Ų1244.2 Ų44.26%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-96129.3171.6-59177.1000108V113 D115 L137 R143 L166 P168 D169 C170V113-I145 HydrophobicContact CB-CG1 4.44Å; V113-I145 CarbonylContact O-C 3.48Å; V113-I145 WeakPolarHBondContact O-CA 3.26Å; D115-I145 HydrophobicContact CB-CG2 4.21Å; L137-I145 HydrophobicContact CB-CD1 4.08Å; L137-I145 HydrophobicContact CD1-CD1 4.13Å; R143-I145 PolarHBondContact O-N 2.81Å; I145-L166 HydrophobicContact CD1-CD1 3.64Å; I145-L166 HydrophobicContact CG2-CD1 4.13Å; I145-L166 HydrophobicContact CG2-CD2 3.99Å; I145-L166 HydrophobicContact CG2-CG 4.23Å; I145-P168 HydrophobicContact CB-CB 4.45Å; I145-P168 HydrophobicContact CG2-CB 4.25Å; I145-P168 CarbonylContact O-C 3.55Å; I145-P168 WeakPolarHBondContact O-CA 3.44Å; I145-P168 WeakPolarHBondContact O-CB 3.21Å; I145-D169 PolarHBondContact O-N 2.97Å; I145-C170 PolarHBondContact O-N 3.42Å; I145-C170 VanDerWaalsContact O-N 3.16Å
146I95.5Very high91.3Very high0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-112.3111.5177.3-56.595.3000108.3I40 Y44 L112 V113 V114 D115 I148 C170 V172I40-I146 HydrophobicContact CD1-CG2 4.27Å; I40-I146 HydrophobicContact CG1-CB 4.45Å; I40-I146 HydrophobicContact CG1-CG1 4.33Å; I40-I146 HydrophobicContact CG1-CG2 3.93Å; Y44-I146 HydrophobicContact CD2-CD1 4.35Å; Y44-I146 HydrophobicContact CD2-CG1 4.31Å; Y44-I146 HydrophobicContact CE2-CD1 3.88Å; Y44-I146 HydrophobicContact CE2-CG1 3.52Å; L112-I146 HydrophobicContact CB-CD1 3.83Å; L112-I146 HydrophobicContact CD1-CD1 3.8Å; L112-I146 HydrophobicContact CD2-CD1 3.88Å; L112-I146 HydrophobicContact CG-CD1 4.06Å; V113-I146 PolarHBondContact O-N 3.42Å; V114-I146 CarbonylContact C-O 3.16Å; V114-I146 WeakPolarHBondContact CA-O 3.16Å; D115-I146 PolarHBondContact N-O 2.85Å; I146-I148 HydrophobicContact CG2-CD1 4.18Å; I146-C170 CarbonylContact C-O 3.54Å; I146-C170 WeakPolarHBondContact CA-O 3.46Å; I146-C170 HydrophobicContact CB-CB 4.25Å; I146-C170 HydrophobicContact CG1-CB 3.81Å; I146-C170 HydrophobicContact CG2-CB 3.95Å; I146-V172 HydrophobicContact CG2-CG2 4.09Å
147S97.7Very high91.6Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-91.4132.4176.3-68.90000111.2D115 P151 L166 P168 C170 V172D115-S147 WeakPolarHBondContact OD2-CB 3.28Å; D115-S147 PolarHBondContact OD2-OG 3.39Å; S147-P151 WeakPolarHBondContact OG-CA 3.38Å; S147-L166 WeakPolarHBondContact OG-CD2 3.4Å; S147-P168 WeakPolarHBondContact OG-CB 3.49Å; S147-C170 PolarHBondContact N-O 3.09Å; S147-V172 PolarHBondContact O-N 3.26Å
148I97.8Very high91.8Very high0 Ų039.6 Ų39.60%021%0.213CC..EExtended strand (participates in β ladder)trans-94.2130.1176.2-52.7-48.5000109.2C36 N62 D65 V114 D115 A116 I146 I150 V172 L174C36-I148 HydrophobicContact CB-CD1 3.85Å; C36-I148 VanDerWaalsContact SG-CG2 3.55Å; N62-I148 PolarHBondContact ND2-O 3.22Å; N62-I148 PolarHBondContact OD1-O 2.92Å; D65-I148 HydrophobicContact CB-CG2 3.94Å; V114-I148 HydrophobicContact CG1-CD1 3.93Å; V114-I148 HydrophobicContact CG1-CG1 3.72Å; D115-I148 PolarHBondContact O-N 3.03Å; A116-I148 HydrophobicContact CB-CG1 4.3Å; I146-I148 HydrophobicContact CG2-CD1 4.18Å; I148-I150 PolarHBondContact O-N 3.06Å; I148-I150 VanDerWaalsContact O-O 3.14Å; I148-V172 HydrophobicContact CD1-CB 4.1Å; I148-V172 HydrophobicContact CD1-CG2 4.22Å; I148-L174 HydrophobicContact CG2-CD1 3.93Å
149D97.8Very high92.3Very high6 Ų639 Ų393%0.03221%0.21CC..SBendtrans69.2-60.5-179.4-160.549.2000115.2N62 G119 F120 V172 L174 K178N62-D149 VanDerWaalsContact OD1-CB 3.29Å; N62-D149 WeakPolarHBondContact OD1-CB 3.34Å; G119-D149 WeakPolarHBondContact CA-OD2 3.42Å; F120-D149 WeakPolarHBondContact CB-OD2 3.31Å; F120-D149 WeakPolarHBondContact CD1-OD2 3.36Å; F120-D149 PolarHBondContact N-OD2 3.26Å; D149-V172 WeakPolarHBondContact CA-O 3.15Å; D149-V172 PolarHBondContact N-O 3.48Å; D149-L174 HydrophobicContact CB-CD1 4.3Å; D149-L174 PolarHBondContact OD1-N 2.98Å; D149-K178 VanDerWaalsContact OD1-CE 3.23Å; D149-K178 WeakPolarHBondContact OD1-CE 3.43Å; D149-K178 IonicContact OD1-NZ 3.66Å; D149-K178 PolarHBondContact OD1-NZ 3.37Å; D149-K178 IonicContact OD2-NZ 2.7Å
150I97.2Very high93Very high2 Ų232.6 Ų32.61%0.0119%0.186CC..SBendtrans-143.1156.4171.166.7176000109.5F118 G119 F122 I148 S152 V156 K178F118-I150 VanDerWaalsContact O-CG1 3.25Å; F118-I150 WeakPolarHBondContact O-CG1 3.44Å; G119-I150 VanDerWaalsContact C-CD1 3.48Å; G119-I150 WeakPolarHBondContact O-CD1 3.03Å; F122-I150 HydrophobicContact CB-CD1 4.11Å; I148-I150 PolarHBondContact O-N 3.06Å; I148-I150 VanDerWaalsContact O-O 3.14Å; I150-S152 PolarHBondContact O-N 3.38Å; I150-V156 HydrophobicContact CD1-CG2 3.71Å; I150-K178 HydrophobicContact CG2-CB 3.88Å; I150-K178 HydrophobicContact CG2-CG 4.15Å
151P96.8Very high93.4Very high0 Ų032.5 Ų32.50%019%0.19CC..  trans-66.1125.8169.6-19.434000111.7S147 G153 W154 L166 P168 L171S147-P151 WeakPolarHBondContact OG-CA 3.38Å; P151-G153 PolarHBondContact O-N 2.75Å; P151-W154 HydrophobicContact CB-CD2 3.66Å; P151-W154 HydrophobicContact CB-CE3 4.26Å; P151-W154 HydrophobicContact CB-CG 3.79Å; P151-W154 HydrophobicContact CB-CZ2 4.23Å; P151-W154 HydrophobicContact CG-CD2 3.66Å; P151-W154 HydrophobicContact CG-CE3 3.73Å; P151-W154 HydrophobicContact CG-CG 4.24Å; P151-W154 HydrophobicContact CG-CH2 4.14Å; P151-W154 HydrophobicContact CG-CZ2 4.04Å; P151-W154 HydrophobicContact CG-CZ3 3.96Å; P151-W154 WeakPolarHBondContact O-CB 3.22Å; P151-W154 PolarHBondContact O-N 3.29Å; P151-W154 VanDerWaalsContact O-N 3.08Å; P151-L166 HydrophobicContact CB-CD2 4.47Å; P151-P168 HydrophobicContact CB-CG 3.82Å; P151-P168 HydrophobicContact CG-CG 3.64Å; P151-L171 HydrophobicContact CG-CD1 4.35Å
152S96.7Very high93.6Very high2 Ų235.5 Ų35.51%0.01420%0.2CC..THydrogen-bonded Turntrans-61.4129.7-176.7-73.50000111.9D115 I117 F118 M126 I150D115-S152 VanDerWaalsContact CG-OG 3.26Å; D115-S152 WeakPolarHBondContact OD1-CB 3.08Å; D115-S152 PolarHBondContact OD1-OG 3.22Å; D115-S152 WeakPolarHBondContact OD2-CB 3.46Å; D115-S152 PolarHBondContact OD2-N 2.89Å; D115-S152 PolarHBondContact OD2-OG 3.49Å; I117-S152 WeakPolarHBondContact CB-OG 3.47Å; F118-S152 PolarHBondContact N-OG 2.85Å; M126-S152 VanDerWaalsContact CE-C 3.48Å; I150-S152 PolarHBondContact O-N 3.38Å
153G93.9Very high93.1Very high28 Ų2834.5 Ų34.529%0.28920%0.204SC..THydrogen-bonded Turntrans95.7-12.6-176.900000114.5M126 P151M126-G153 VanDerWaalsContact CE-N 3.26Å; P151-G153 PolarHBondContact O-N 2.75Å
154W95.6Very high92.3Very high4 Ų437.2 Ų37.22%0.01522%0.222CC..SBendtrans-73.3146.7173.1-7025.3000110.7F122 P151 P160 L166 A180 H183F122-W154 WeakPolarHBondContact CD1-O 3.35Å; P151-W154 HydrophobicContact CB-CD2 3.66Å; P151-W154 HydrophobicContact CB-CE3 4.26Å; P151-W154 HydrophobicContact CB-CG 3.79Å; P151-W154 HydrophobicContact CB-CZ2 4.23Å; P151-W154 HydrophobicContact CG-CD2 3.66Å; P151-W154 HydrophobicContact CG-CE3 3.73Å; P151-W154 HydrophobicContact CG-CG 4.24Å; P151-W154 HydrophobicContact CG-CH2 4.14Å; P151-W154 HydrophobicContact CG-CZ2 4.04Å; P151-W154 HydrophobicContact CG-CZ3 3.96Å; P151-W154 WeakPolarHBondContact O-CB 3.22Å; P151-W154 PolarHBondContact O-N 3.29Å; P151-W154 VanDerWaalsContact O-N 3.08Å; W154-P160 HydrophobicContact CD2-CB 3.94Å; W154-P160 HydrophobicContact CD2-CG 4.31Å; W154-P160 HydrophobicContact CE3-CG 4.46Å; W154-P160 HydrophobicContact CG-CB 4.24Å; W154-P160 HydrophobicContact CH2-CG 4.14Å; W154-P160 HydrophobicContact CZ2-CB 3.92Å; W154-P160 HydrophobicContact CZ2-CG 4Å; W154-P160 HydrophobicContact CZ3-CG 4.39Å; W154-L166 WeakPolarHBondContact CZ2-O 3.49Å; W154-L166 PolarHBondContact NE1-O 2.76Å; W154-A180 HydrophobicContact CE3-CB 4.21Å; W154-A180 VanDerWaalsContact CZ3-O 3.3Å; W154-A180 WeakPolarHBondContact CZ3-O 3.48Å; W154-H183 HydrophobicContact CH2-CB 4.27Å; W154-H183 HydrophobicContact CZ3-CB 3.82Å
155D95.8Very high91.9Very high59 Ų5937.6 Ų37.632%0.31623%0.225SC..BIsolated β-bridgetrans-70.3132.7164.9-175.3-91.3000109.2N157 G158 G159 A180D155-N157 PolarHBondContact O-N 3.05Å; D155-N157 WeakPolarHBondContact OD1-CA 3.38Å; D155-N157 WeakPolarHBondContact OD1-CB 3.33Å; D155-N157 PolarHBondContact OD1-N 2.89Å; D155-G158 PolarHBondContact OD1-N 2.88Å; D155-G159 PolarHBondContact N-O 2.8Å; D155-G159 WeakPolarHBondContact O-CA 3.47Å; D155-G159 PolarHBondContact O-N 3.15Å; D155-A180 WeakPolarHBondContact O-CB 3.32Å
156V97.7Very high91.8Very high1 Ų137.5 Ų37.51%0.00623%0.225CC..THydrogen-bonded Turntrans-63.8-29.3-174-178.20000112.1Q7 F120 I150 K178 A180Q7-V156 HydrophobicContact CB-CB 3.95Å; Q7-V156 HydrophobicContact CB-CG1 3.67Å; Q7-V156 HydrophobicContact CG-CB 4.33Å; Q7-V156 HydrophobicContact CG-CG1 4.18Å; F120-V156 WeakPolarHBondContact O-CG2 3.44Å; I150-V156 HydrophobicContact CD1-CG2 3.71Å; V156-K178 HydrophobicContact CG1-CB 4.08Å; V156-K178 HydrophobicContact CG1-CG 3.73Å; V156-A180 WeakPolarHBondContact O-CB 3.39Å; V156-A180 PolarHBondContact O-N 3.34Å
157N97.7Very high91.7Very high67 Ų6744.8 Ų44.836%0.35826%0.258SS..THydrogen-bonded Turntrans-98.1-39.7-178.9-59.3-42.4000112.2N6 Q7 D155 L179N6-N157 WeakPolarHBondContact CA-OD1 3.18Å; N6-N157 WeakPolarHBondContact CB-OD1 3.26Å; Q7-N157 PolarHBondContact N-OD1 2.76Å; D155-N157 PolarHBondContact O-N 3.05Å; D155-N157 WeakPolarHBondContact OD1-CA 3.38Å; D155-N157 WeakPolarHBondContact OD1-CB 3.33Å; D155-N157 PolarHBondContact OD1-N 2.89Å; N157-L179 HydrophobicContact CB-CD1 4.41Å; N157-L179 WeakPolarHBondContact O-CB 3.13Å
158G94.3Very high91.5Very high43 Ų4345 Ų4544%0.44326%0.26SS..THydrogen-bonded Turntrans-101.4-11-171.300000115.7D155 H183D155-G158 PolarHBondContact OD1-N 2.88Å; G158-H183 PolarHBondContact O-NE2 2.58Å
159G94.5Very high91.4Very high3 Ų345.8 Ų45.83%0.03126%0.264CS..BIsolated β-bridgetrans81.4-150.4179.600000114.4D155D155-G159 PolarHBondContact N-O 2.8Å; D155-G159 WeakPolarHBondContact O-CA 3.47Å; D155-G159 PolarHBondContact O-N 3.15Å
160P94.5Very high91.3Very high43 Ų4345.5 Ų45.528%0.27926%0.263SS..  trans-69.4149.5-173.526.4-31.2000112.8W154 S165 H183W154-P160 HydrophobicContact CD2-CB 3.94Å; W154-P160 HydrophobicContact CD2-CG 4.31Å; W154-P160 HydrophobicContact CE3-CG 4.46Å; W154-P160 HydrophobicContact CG-CB 4.24Å; W154-P160 HydrophobicContact CH2-CG 4.14Å; W154-P160 HydrophobicContact CZ2-CB 3.92Å; W154-P160 HydrophobicContact CZ2-CG 4Å; W154-P160 HydrophobicContact CZ3-CG 4.39Å; P160-S165 WeakPolarHBondContact CA-OG 3.48Å; P160-S165 VanDerWaalsContact CB-CB 3.47Å; P160-S165 VanDerWaalsContact CB-OG 3.27Å; P160-S165 WeakPolarHBondContact CB-OG 3.44Å; P160-H183 VanDerWaalsContact CD-CB 3.44Å; P160-H183 HydrophobicContact CG-CB 4.18Å
161S88.5Confident91.3Very high59 Ų5945.4 Ų45.441%0.41326%0.262SS..  trans-68.5156.416079.10000111.6T163 D164 S165S161-T163 PolarHBondContact O-N 2.85Å; S161-D164 PolarHBondContact OG-N 2.79Å; S161-D164 PolarHBondContact OG-O 2.88Å; S161-S165 WeakPolarHBondContact CA-OG 3.45Å; S161-S165 PolarHBondContact N-OG 3.02Å; S161-S165 PolarHBondContact O-OG 3.29Å; S161-S165 PolarHBondContact OG-OG 2.89Å
162E78.2Confident91.4Very high204 Ų20445.4 Ų45.495%0.95326%0.262SS*.SBendtrans-67.8-29.4-177.9-65.6-174.3171.600114.2
163T70.9Confident91.5Very high132 Ų13245.3 Ų45.381%0.8126%0.262SS*.SBendtrans-115.3-21.3-164.355.70000115.6S161S161-T163 PolarHBondContact O-N 2.85Å
164D71.7Confident91.7Very high105 Ų10544.5 Ų44.556%0.56125%0.25SS*.SBendtrans-15267.5-172.8-159.322.7000111.6S161S161-D164 PolarHBondContact OG-N 2.79Å; S161-D164 PolarHBondContact OG-O 2.88Å
165S83.4Confident91.7Very high19 Ų1945.3 Ų45.313%0.13326%0.256CS..  trans-118.5142.1-177.8-65.10000111.6P160 S161 H167P160-S165 WeakPolarHBondContact CA-OG 3.48Å; P160-S165 VanDerWaalsContact CB-CB 3.47Å; P160-S165 VanDerWaalsContact CB-OG 3.27Å; P160-S165 WeakPolarHBondContact CB-OG 3.44Å; S161-S165 WeakPolarHBondContact CA-OG 3.45Å; S161-S165 PolarHBondContact N-OG 3.02Å; S161-S165 PolarHBondContact O-OG 3.29Å; S161-S165 PolarHBondContact OG-OG 2.89Å; S165-H167 PolarHBondContact O-CD2 2.77Å; S165-H167 VanDerWaalsContact O-CD2 3.29Å
166L91.4Very high91.8Very high11 Ų1142.5 Ų42.56%0.05824%0.241CC..  trans-62.4135.9168.5-165.766.7000109.3D115 I134 L137 I145 S147 P151 W154 P168D115-L166 HydrophobicContact CB-CD2 4.01Å; D115-L166 WeakPolarHBondContact OD2-CD2 3.33Å; I134-L166 HydrophobicContact CD1-CD1 4.23Å; I134-L166 HydrophobicContact CD1-CD2 4.26Å; I134-L166 HydrophobicContact CG2-CD1 4.31Å; L137-L166 HydrophobicContact CD1-CD1 4.2Å; I145-L166 HydrophobicContact CD1-CD1 3.64Å; I145-L166 HydrophobicContact CG2-CD1 4.13Å; I145-L166 HydrophobicContact CG2-CD2 3.99Å; I145-L166 HydrophobicContact CG2-CG 4.23Å; S147-L166 WeakPolarHBondContact OG-CD2 3.4Å; P151-L166 HydrophobicContact CB-CD2 4.47Å; W154-L166 WeakPolarHBondContact CZ2-O 3.49Å; W154-L166 PolarHBondContact NE1-O 2.76Å; L166-P168 VanDerWaalsContact C-CD 3.47Å; L166-P168 VanDerWaalsContact O-CD 3.29Å; L166-P168 WeakPolarHBondContact O-CD 3.28Å
167H92.6Very high91.9Very high152 Ų15242.5 Ų42.570%0.70424%0.241SC*.  trans-116.878.4174.5-66.4-66.8000109S165S165-H167 PolarHBondContact O-CD2 2.77Å; S165-H167 VanDerWaalsContact O-CD2 3.29Å
168P95Very high91.9Very high6 Ų639.5 Ų39.54%0.03922%0.224CC..  trans-66.9147.5-178.425.9-30.7000111.2I145 S147 P151 L166 F184I145-P168 HydrophobicContact CB-CB 4.45Å; I145-P168 HydrophobicContact CG2-CB 4.25Å; I145-P168 CarbonylContact O-C 3.55Å; I145-P168 WeakPolarHBondContact O-CA 3.44Å; I145-P168 WeakPolarHBondContact O-CB 3.21Å; S147-P168 WeakPolarHBondContact OG-CB 3.49Å; P151-P168 HydrophobicContact CB-CG 3.82Å; P151-P168 HydrophobicContact CG-CG 3.64Å; L166-P168 VanDerWaalsContact C-CD 3.47Å; L166-P168 VanDerWaalsContact O-CD 3.29Å; L166-P168 WeakPolarHBondContact O-CD 3.28Å; P168-F184 HydrophobicContact CB-CE2 4.38Å; P168-F184 HydrophobicContact CG-CD2 4.19Å; P168-F184 HydrophobicContact CG-CE2 3.97Å; P168-F184 VanDerWaalsContact O-CE2 3.22Å; P168-F184 WeakPolarHBondContact O-CE2 3.39Å
169D94.9Very high92.1Very high16 Ų1639.5 Ų39.59%0.08621%0.214CC..SBendtrans-83-28.6173.9-178.159.8000111.6Y44 P144 I145 G186 R187 Y188Y44-D169 WeakPolarHBondContact CE1-OD2 3.43Å; Y44-D169 PolarHBondContact OH-OD2 2.9Å; P144-D169 HydrophobicContact CB-CB 3.72Å; P144-D169 WeakPolarHBondContact CB-OD2 3.5Å; I145-D169 PolarHBondContact O-N 2.97Å; D169-G186 CarbonylContact O-C 3.53Å; D169-R187 VanDerWaalsContact CG-NE 3.27Å; D169-R187 PolarHBondContact O-N 2.66Å; D169-R187 VanDerWaalsContact OD1-CG 3.31Å; D169-R187 WeakPolarHBondContact OD1-CG 3.4Å; D169-R187 IonicContact OD1-CZ 3.23Å; D169-R187 IonicContact OD1-NE 2.85Å; D169-R187 PolarHBondContact OD1-NE 3.39Å; D169-R187 IonicContact OD1-NH2 3.21Å; D169-R187 IonicContact OD2-CZ 3.32Å; D169-R187 VanDerWaalsContact OD2-CZ 3.23Å; D169-R187 IonicContact OD2-NE 2.72Å; D169-R187 PolarHBondContact OD2-NE 3.29Å; D169-R187 IonicContact OD2-NH2 3.49Å; D169-R187 PolarHBondContact OD2-NH2 3.29Å; D169-Y188 PolarHBondContact O-N 3.05Å; D169-Y188 VanDerWaalsContact O-N 3.15Å
170C95.9Very high92.2Very high0 Ų039.3 Ų39.30%021%0.213CC..EExtended strand (participates in β ladder)trans-128.6139.1172.4177.10000111.1Y44 I145 I146 S147 Y188Y44-C170 HydrophobicContact CE2-CB 3.87Å; Y44-C170 WeakPolarHBondContact OH-CB 3.48Å; I145-C170 PolarHBondContact O-N 3.42Å; I145-C170 VanDerWaalsContact O-N 3.16Å; I146-C170 CarbonylContact C-O 3.54Å; I146-C170 WeakPolarHBondContact CA-O 3.46Å; I146-C170 HydrophobicContact CB-CB 4.25Å; I146-C170 HydrophobicContact CG1-CB 3.81Å; I146-C170 HydrophobicContact CG2-CB 3.95Å; S147-C170 PolarHBondContact N-O 3.09Å; C170-Y188 CarbonylContact C-O 3.52Å; C170-Y188 WeakPolarHBondContact CA-O 3.31Å
171L98.2Very high92.4Very high0 Ų037.6 Ų37.60%020%0.202CC..EExtended strand (participates in β ladder)trans-119124.1169.5175.659.4000108.8P151 A181 F184 Y188 H189 F190P151-L171 HydrophobicContact CG-CD1 4.35Å; L171-A181 HydrophobicContact CD2-CB 3.58Å; L171-F184 HydrophobicContact CB-CD1 4.25Å; L171-F184 HydrophobicContact CB-CD2 3.78Å; L171-F184 HydrophobicContact CB-CE1 4.14Å; L171-F184 HydrophobicContact CB-CE2 3.64Å; L171-F184 HydrophobicContact CB-CG 4.07Å; L171-F184 HydrophobicContact CB-CZ 3.82Å; L171-F184 HydrophobicContact CD2-CB 4.09Å; L171-F184 HydrophobicContact CD2-CD2 4.23Å; L171-F184 HydrophobicContact CD2-CG 4.07Å; L171-Y188 PolarHBondContact N-O 3.49Å; L171-H189 CarbonylContact O-C 3.6Å; L171-H189 WeakPolarHBondContact O-CA 3.35Å; L171-H189 PolarHBondContact O-CD2 3.03Å; L171-F190 PolarHBondContact O-N 3.17Å
172V98.2Very high92.7Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-105.195.1171.5-174.80000108.3A39 I146 S147 I148 D149 L174 F190A39-V172 HydrophobicContact CB-CG1 4.25Å; A39-V172 HydrophobicContact CB-CG2 3.68Å; I146-V172 HydrophobicContact CG2-CG2 4.09Å; S147-V172 PolarHBondContact O-N 3.26Å; I148-V172 HydrophobicContact CD1-CB 4.1Å; I148-V172 HydrophobicContact CD1-CG2 4.22Å; D149-V172 WeakPolarHBondContact CA-O 3.15Å; D149-V172 PolarHBondContact N-O 3.48Å; V172-L174 HydrophobicContact CG1-CD2 4.43Å; V172-F190 HydrophobicContact CG1-CB 4.43Å; V172-F190 HydrophobicContact CG2-CB 4.42Å
173S98.4Very high93.6Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-72.2134.5173-67.50000110.7H189 F190 L191 G192S173-H189 PolarHBondContact OG-NE2 3.37Å; S173-F190 PolarHBondContact N-O 2.79Å; S173-L191 CarbonylContact O-C 3.44Å; S173-L191 WeakPolarHBondContact O-CA 2.87Å; S173-G192 PolarHBondContact O-N 3.29Å
174L97.8Very high94.8Very high10 Ų1028.1 Ų28.15%0.05214%0.141CC..EExtended strand (participates in β ladder)trans-104.2143.4175.6-59.7173.7000110.7A32 D65 I148 D149 V172 A176 K178A32-L174 HydrophobicContact CB-CD1 3.79Å; A32-L174 HydrophobicContact CB-CD2 3.97Å; A32-L174 HydrophobicContact CB-CG 4.49Å; D65-L174 HydrophobicContact CB-CD1 4.23Å; I148-L174 HydrophobicContact CG2-CD1 3.93Å; D149-L174 HydrophobicContact CB-CD1 4.3Å; D149-L174 PolarHBondContact OD1-N 2.98Å; V172-L174 HydrophobicContact CG1-CD2 4.43Å; L174-A176 PolarHBondContact O-N 3.12Å; L174-K178 PolarHBondContact O-NZ 3.1Å
175T96.9Very high95.8Very high22 Ų2231.6 Ų31.614%0.13515%0.152CC..SBendtrans66.8-59-177.5-59.80000113.5I13 G192 F195 V196 L208I13-T175 HydrophobicContact CG2-CG2 3.7Å; T175-G192 PolarHBondContact N-O 3.45Å; T175-G192 VanDerWaalsContact N-O 3.15Å; T175-F195 WeakPolarHBondContact OG1-CE2 3.43Å; T175-F195 WeakPolarHBondContact OG1-CZ 3.49Å; T175-V196 HydrophobicContact CG2-CG2 3.82Å; T175-L208 WeakPolarHBondContact O-CD2 3.3Å
176A97.9Very high96.3Very high0 Ų031.6 Ų31.60%016%0.155CC..SBendtrans-160.3155.8171.800000108.7L5 L174 K178 L208L5-A176 HydrophobicContact CD1-CB 3.72Å; L5-A176 HydrophobicContact CG-CB 3.89Å; L174-A176 PolarHBondContact O-N 3.12Å; A176-K178 PolarHBondContact O-NZ 3.14Å; A176-L208 HydrophobicContact CB-CD2 4.21Å
177P98.1Very high96.5Very high0 Ų037.3 Ų37.30%018%0.176CC..  trans-61.6142.4173.527.1-33.5000111V2 Y4 L5 A181 L220V2-P177 HydrophobicContact CG1-CG 3.89Å; V2-P177 HydrophobicContact CG2-CG 4.18Å; Y4-P177 CarbonylContact C-O 3.59Å; Y4-P177 VanDerWaalsContact CA-O 3.31Å; Y4-P177 WeakPolarHBondContact CA-O 3.33Å; Y4-P177 HydrophobicContact CD1-CB 3.82Å; Y4-P177 HydrophobicContact CD1-CG 4.08Å; Y4-P177 HydrophobicContact CD2-CG 3.99Å; Y4-P177 HydrophobicContact CE1-CB 3.76Å; Y4-P177 HydrophobicContact CE1-CG 4.09Å; Y4-P177 HydrophobicContact CE2-CG 3.99Å; Y4-P177 HydrophobicContact CG-CB 4.26Å; Y4-P177 HydrophobicContact CG-CG 4.03Å; L5-P177 PolarHBondContact N-O 2.81Å; P177-A181 HydrophobicContact CB-CB 4.09Å; P177-L220 HydrophobicContact CG-CD1 4.41Å
178K98.4Very high96.6Very high4 Ų432.8 Ų32.82%0.01715%0.153CC..BIsolated β-bridgetrans-85.7157.6170.3-88.658.865.5-178.20109.7Y4 L5 A10 F120 D149 I150 V156 L174 A176 A180 A181Y4-K178 WeakPolarHBondContact CD1-O 3.47Å; L5-K178 CarbonylContact O-C 3.35Å; L5-K178 VanDerWaalsContact O-CA 3.26Å; L5-K178 WeakPolarHBondContact O-CA 3.27Å; A10-K178 HydrophobicContact CB-CD 4.05Å; A10-K178 HydrophobicContact CB-CG 4.32Å; F120-K178 HydrophobicContact CB-CD 3.93Å; F120-K178 HydrophobicContact CB-CG 4Å; D149-K178 VanDerWaalsContact OD1-CE 3.23Å; D149-K178 WeakPolarHBondContact OD1-CE 3.43Å; D149-K178 IonicContact OD1-NZ 3.66Å; D149-K178 PolarHBondContact OD1-NZ 3.37Å; D149-K178 IonicContact OD2-NZ 2.7Å; I150-K178 HydrophobicContact CG2-CB 3.88Å; I150-K178 HydrophobicContact CG2-CG 4.15Å; V156-K178 HydrophobicContact CG1-CB 4.08Å; V156-K178 HydrophobicContact CG1-CG 3.73Å; L174-K178 PolarHBondContact O-NZ 3.1Å; A176-K178 PolarHBondContact O-NZ 3.14Å; K178-A180 PolarHBondContact O-N 2.83Å; K178-A180 VanDerWaalsContact O-N 3.12Å; K178-A181 WeakPolarHBondContact O-CB 3.46Å; K178-A181 PolarHBondContact O-N 3.07Å
179L98.4Very high96.8Very high43 Ų4332.6 Ų32.623%0.22515%0.151CC..G310 helixtrans-50-38.9179-77.5176.9000112.8L5 N6 N157 A181 Q182L5-L179 PolarHBondContact O-N 3.37Å; N6-L179 HydrophobicContact CB-CD1 3.63Å; N6-L179 HydrophobicContact CB-CG 4.39Å; N157-L179 HydrophobicContact CB-CD1 4.41Å; N157-L179 WeakPolarHBondContact O-CB 3.13Å; L179-A181 PolarHBondContact O-N 3.28Å; L179-Q182 VanDerWaalsContact O-CB 3.31Å; L179-Q182 WeakPolarHBondContact O-CB 3.39Å; L179-Q182 WeakPolarHBondContact O-CG 3.36Å; L179-Q182 PolarHBondContact O-N 2.8Å
180A97Very high97Very high0 Ų032.1 Ų32.10%015%0.148CC..G310 helixtrans-47.3-36.3172.400000113.7W154 D155 V156 K178 Q182 H183W154-A180 HydrophobicContact CE3-CB 4.21Å; W154-A180 VanDerWaalsContact CZ3-O 3.3Å; W154-A180 WeakPolarHBondContact CZ3-O 3.48Å; D155-A180 WeakPolarHBondContact O-CB 3.32Å; V156-A180 WeakPolarHBondContact O-CB 3.39Å; V156-A180 PolarHBondContact O-N 3.34Å; K178-A180 PolarHBondContact O-N 2.83Å; K178-A180 VanDerWaalsContact O-N 3.12Å; A180-Q182 PolarHBondContact O-N 2.81Å; A180-H183 WeakPolarHBondContact O-CB 3.33Å; A180-H183 PolarHBondContact O-N 3.41Å
181A97.6Very high97.1Very high6 Ų632.1 Ų32.15%0.0515%0.148CC..G310 helixtrans-65.3-16.8-179.400000113.7Y4 L171 P177 K178 L179 H183 F184Y4-A181 HydrophobicContact CD1-CB 4.18Å; Y4-A181 HydrophobicContact CE1-CB 3.76Å; L171-A181 HydrophobicContact CD2-CB 3.58Å; P177-A181 HydrophobicContact CB-CB 4.09Å; K178-A181 WeakPolarHBondContact O-CB 3.46Å; K178-A181 PolarHBondContact O-N 3.07Å; L179-A181 PolarHBondContact O-N 3.28Å; A181-H183 PolarHBondContact O-N 3.16Å; A181-F184 WeakPolarHBondContact O-CB 3.44Å; A181-F184 PolarHBondContact O-N 3.05Å
182Q96.5Very high97Very high108 Ų10832.1 Ų32.151%0.50515%0.148SC..G310 helixtrans-63.1-23.2172-63.3-178.6-28.400112.4Y4 L179 A180Y4-Q182 HydrophobicContact CD1-CG 3.39Å; Y4-Q182 HydrophobicContact CE1-CB 4.48Å; Y4-Q182 HydrophobicContact CE1-CG 3.62Å; Y4-Q182 HydrophobicContact CG-CG 3.93Å; L179-Q182 VanDerWaalsContact O-CB 3.31Å; L179-Q182 WeakPolarHBondContact O-CB 3.39Å; L179-Q182 WeakPolarHBondContact O-CG 3.36Å; L179-Q182 PolarHBondContact O-N 2.8Å; A180-Q182 PolarHBondContact O-N 2.81Å
183H95.9Very high96.2Very high85 Ų8532.1 Ų32.139%0.39415%0.149SC..G310 helixtrans-90.8-4.5177.7-59-95.6000112.8W154 G158 P160 A180 A181W154-H183 HydrophobicContact CH2-CB 4.27Å; W154-H183 HydrophobicContact CZ3-CB 3.82Å; G158-H183 PolarHBondContact O-NE2 2.58Å; P160-H183 VanDerWaalsContact CD-CB 3.44Å; P160-H183 HydrophobicContact CG-CB 4.18Å; A180-H183 WeakPolarHBondContact O-CB 3.33Å; A180-H183 PolarHBondContact O-N 3.41Å; A181-H183 PolarHBondContact O-N 3.16Å
184F96.1Very high96Very high3 Ų337.8 Ų37.81%0.01317%0.17CC..  trans-65.8136178.2179.6-108.7000111P168 L171 A181 Y188 H189 V222P168-F184 HydrophobicContact CB-CE2 4.38Å; P168-F184 HydrophobicContact CG-CD2 4.19Å; P168-F184 HydrophobicContact CG-CE2 3.97Å; P168-F184 VanDerWaalsContact O-CE2 3.22Å; P168-F184 WeakPolarHBondContact O-CE2 3.39Å; L171-F184 HydrophobicContact CB-CD1 4.25Å; L171-F184 HydrophobicContact CB-CD2 3.78Å; L171-F184 HydrophobicContact CB-CE1 4.14Å; L171-F184 HydrophobicContact CB-CE2 3.64Å; L171-F184 HydrophobicContact CB-CG 4.07Å; L171-F184 HydrophobicContact CB-CZ 3.82Å; L171-F184 HydrophobicContact CD2-CB 4.09Å; L171-F184 HydrophobicContact CD2-CD2 4.23Å; L171-F184 HydrophobicContact CD2-CG 4.07Å; A181-F184 WeakPolarHBondContact O-CB 3.44Å; A181-F184 PolarHBondContact O-N 3.05Å; F184-Y188 WeakPolarHBondContact CE1-O 3.31Å; F184-Y188 VanDerWaalsContact CZ-O 3.32Å; F184-Y188 WeakPolarHBondContact CZ-O 3.35Å; F184-H189 HydrophobicContact CD1-CB 4.12Å; F184-H189 HydrophobicContact CE1-CB 3.95Å; F184-V222 HydrophobicContact CD1-CG1 4.31Å
185K93.6Very high95.8Very high178 Ų17838.4 Ų38.477%0.77417%0.172SC*.  trans-131.711.7-178.7-57.9-62.8169.2-154.80113
186G94.3Very high95.9Very high19 Ų1938.4 Ų38.420%0.19617%0.172CC..SBendtrans-74.9176.8177.500000112.4D169D169-G186 CarbonylContact O-C 3.53Å
187R94.1Very high95.8Very high132 Ų13239.8 Ų39.850%0.49818%0.181SC..SBendtrans-72.5-35.6-176-70.6-175.1-68.1178-5.2113.7D169D169-R187 VanDerWaalsContact CG-NE 3.27Å; D169-R187 PolarHBondContact O-N 2.66Å; D169-R187 VanDerWaalsContact OD1-CG 3.31Å; D169-R187 WeakPolarHBondContact OD1-CG 3.4Å; D169-R187 IonicContact OD1-CZ 3.23Å; D169-R187 IonicContact OD1-NE 2.85Å; D169-R187 PolarHBondContact OD1-NE 3.39Å; D169-R187 IonicContact OD1-NH2 3.21Å; D169-R187 IonicContact OD2-CZ 3.32Å; D169-R187 VanDerWaalsContact OD2-CZ 3.23Å; D169-R187 IonicContact OD2-NE 2.72Å; D169-R187 PolarHBondContact OD2-NE 3.29Å; D169-R187 IonicContact OD2-NH2 3.49Å; D169-R187 PolarHBondContact OD2-NH2 3.29Å
188Y96.4Very high95.7Very high57 Ų5748.1 Ų48.122%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-127.3121.1-170.4-54.7-70.2000111.7A43 Y44 D169 C170 L171 F184 F190A43-Y188 HydrophobicContact CB-CD1 4.02Å; A43-Y188 HydrophobicContact CB-CD2 3.51Å; A43-Y188 HydrophobicContact CB-CE1 4.26Å; A43-Y188 HydrophobicContact CB-CE2 3.74Å; A43-Y188 HydrophobicContact CB-CG 3.64Å; A43-Y188 PolarHBondContact O-OH 2.72Å; Y44-Y188 HydrophobicContact CE1-CD2 4.26Å; Y44-Y188 AromaticContact CE1-CE2 4Å; Y44-Y188 HydrophobicContact CE1-CE2 4Å; Y44-Y188 HydrophobicContact CE2-CD2 4.43Å; Y44-Y188 AromaticContact CZ-CD2 3.9Å; D169-Y188 PolarHBondContact O-N 3.05Å; D169-Y188 VanDerWaalsContact O-N 3.15Å; C170-Y188 CarbonylContact C-O 3.52Å; C170-Y188 WeakPolarHBondContact CA-O 3.31Å; L171-Y188 PolarHBondContact N-O 3.49Å; F184-Y188 WeakPolarHBondContact CE1-O 3.31Å; F184-Y188 VanDerWaalsContact CZ-O 3.32Å; F184-Y188 WeakPolarHBondContact CZ-O 3.35Å; Y188-F190 HydrophobicContact CG-CE2 4.35Å
189H98.2Very high95.7Very high1 Ų154.8 Ų54.81%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-116.6113.6169.2-170.2-177.2000108.5L171 S173 F184 Q219 L220 V222L171-H189 CarbonylContact O-C 3.6Å; L171-H189 WeakPolarHBondContact O-CA 3.35Å; L171-H189 PolarHBondContact O-CD2 3.03Å; S173-H189 PolarHBondContact OG-NE2 3.37Å; F184-H189 HydrophobicContact CD1-CB 4.12Å; F184-H189 HydrophobicContact CE1-CB 3.95Å; H189-Q219 CarbonylContact O-C 3.39Å; H189-Q219 WeakPolarHBondContact O-CA 3.45Å; H189-L220 HydrophobicContact CB-CB 4.39Å; H189-L220 PolarHBondContact O-N 2.71Å; H189-V222 HydrophobicContact CB-CG2 3.41Å; H189-V222 VanDerWaalsContact CB-CG2 3.41Å
190F98.3Very high95.7Very high6 Ų652.8 Ų52.83%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-105.1150174.3-68.1-85.3000111.2A39 K42 A43 L171 V172 S173 Y188 V217 I218 Q219A39-F190 HydrophobicContact CB-CB 3.91Å; A39-F190 HydrophobicContact CB-CD1 4.24Å; A39-F190 HydrophobicContact CB-CD2 3.71Å; A39-F190 HydrophobicContact CB-CE2 4.24Å; A39-F190 HydrophobicContact CB-CG 3.69Å; K42-F190 HydrophobicContact CB-CZ 4.29Å; A43-F190 HydrophobicContact CB-CE2 3.76Å; A43-F190 HydrophobicContact CB-CZ 4.12Å; L171-F190 PolarHBondContact O-N 3.17Å; V172-F190 HydrophobicContact CG1-CB 4.43Å; V172-F190 HydrophobicContact CG2-CB 4.42Å; S173-F190 PolarHBondContact N-O 2.79Å; Y188-F190 HydrophobicContact CG-CE2 4.35Å; F190-V217 HydrophobicContact CD1-CB 4.47Å; F190-I218 CarbonylContact C-O 3.51Å; F190-I218 WeakPolarHBondContact CA-O 3.44Å; F190-Q219 HydrophobicContact CD1-CB 3.92Å; F190-Q219 HydrophobicContact CD1-CG 4.49Å; F190-Q219 HydrophobicContact CE1-CB 3.69Å; F190-Q219 HydrophobicContact CE1-CG 4.21Å; F190-Q219 HydrophobicContact CZ-CB 4.41Å; F190-Q219 HydrophobicContact CZ-CG 4.49Å
191L98.3Very high95.8Very high0 Ų053.6 Ų53.60%025%0.248CC..EExtended strand (participates in β ladder)trans-109.1112.7163.8177.763.7000108.8S173 L208 P209 Y211 V217 I218 L220S173-L191 CarbonylContact O-C 3.44Å; S173-L191 WeakPolarHBondContact O-CA 2.87Å; L191-L208 HydrophobicContact CD2-CD2 4.23Å; L191-P209 HydrophobicContact CD2-CG 3.96Å; L191-Y211 PolarHBondContact O-OH 3.29Å; L191-V217 WeakPolarHBondContact O-CA 3.42Å; L191-I218 HydrophobicContact CB-CG2 3.97Å; L191-I218 HydrophobicContact CD2-CG2 4.47Å; L191-I218 PolarHBondContact N-O 3.33Å; L191-I218 PolarHBondContact O-N 3.4Å; L191-I218 VanDerWaalsContact O-N 3.08Å; L191-L220 HydrophobicContact CB-CD1 4.08Å; L191-L220 HydrophobicContact CB-CD2 3.94Å; L191-L220 HydrophobicContact CB-CG 3.98Å; L191-L220 HydrophobicContact CD2-CD2 4.36Å
192G96.2Very high95.8Very high0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-100.6168.4170.200000112.3S173 T175S173-G192 PolarHBondContact O-N 3.29Å; T175-G192 PolarHBondContact N-O 3.45Å; T175-G192 VanDerWaalsContact N-O 3.15Å
193G82.7Confident95.9Very high1 Ų157 Ų571%0.0127%0.273CS..  trans92.955.617800000114.2S35 F195S35-G193 PolarHBondContact OG-N 2.76Å; G193-F195 VanDerWaalsContact CA-CD1 3.45Å; G193-F195 PolarHBondContact O-N 3.23Å
194R93.4Very high96Very high118 Ų11854.1 Ų54.145%0.44526%0.259SS..THydrogen-bonded Turntrans-68.261168-170.5-175.4176.2171.4-0.9111.9Y211 T213 E215R194-Y211 HydrophobicContact CB-CD1 4.02Å; R194-Y211 HydrophobicContact CB-CD2 3.95Å; R194-Y211 HydrophobicContact CB-CE1 4Å; R194-Y211 HydrophobicContact CB-CE2 3.93Å; R194-Y211 HydrophobicContact CB-CG 3.99Å; R194-Y211 HydrophobicContact CG-CD1 4.3Å; R194-Y211 HydrophobicContact CG-CD2 3.65Å; R194-Y211 HydrophobicContact CG-CE2 4.07Å; R194-Y211 HydrophobicContact CG-CG 3.77Å; R194-T213 PolarHBondContact NH1-O 3.15Å; R194-T213 PolarHBondContact NH2-O 2.72Å; R194-E215 WeakPolarHBondContact CD-O 3.28Å; R194-E215 PolarHBondContact NH1-O 3.33Å
195F94.4Very high96.1Very high24 Ų2460.5 Ų60.511%0.10529%0.289CS..THydrogen-bonded Turntrans-138.4-6.7179.854.6-114.2000113.5L17 F23 L28 L31 T175 G193 P197L17-F195 HydrophobicContact CD1-CD2 4.46Å; L17-F195 HydrophobicContact CD1-CE2 3.95Å; F23-F195 HydrophobicContact CE1-CB 4.46Å; L28-F195 HydrophobicContact CD2-CD1 4.22Å; L28-F195 HydrophobicContact CD2-CD2 3.73Å; L28-F195 HydrophobicContact CD2-CE1 4.34Å; L28-F195 HydrophobicContact CD2-CE2 3.91Å; L28-F195 HydrophobicContact CD2-CG 3.92Å; L28-F195 HydrophobicContact CD2-CZ 4.21Å; L31-F195 HydrophobicContact CB-CD1 3.9Å; L31-F195 HydrophobicContact CB-CE1 4.33Å; L31-F195 HydrophobicContact CD1-CB 3.89Å; L31-F195 HydrophobicContact CD1-CD1 3.92Å; L31-F195 HydrophobicContact CD1-CG 4.29Å; T175-F195 WeakPolarHBondContact OG1-CE2 3.43Å; T175-F195 WeakPolarHBondContact OG1-CZ 3.49Å; G193-F195 VanDerWaalsContact CA-CD1 3.45Å; G193-F195 PolarHBondContact O-N 3.23Å; F195-P197 WeakPolarHBondContact O-CD 3.15Å
196V97.2Very high96.3Very high22 Ų2252 Ų5213%0.13325%0.252CS..  trans-67.4118.3-176.4-173.20000110.2T175 L200 A201 L206 L208T175-V196 HydrophobicContact CG2-CG2 3.82Å; V196-L200 HydrophobicContact CG1-CB 4.36Å; V196-L200 HydrophobicContact CG1-CD2 4.28Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; V196-A201 HydrophobicContact CG1-CB 4.12Å; V196-L206 HydrophobicContact CG1-CD1 3.88Å; V196-L208 HydrophobicContact CB-CD1 3.76Å; V196-L208 HydrophobicContact CG1-CD1 4.02Å; V196-L208 HydrophobicContact CG2-CD1 3.96Å
197P97.4Very high96.4Very high28 Ų2856.1 Ų56.118%0.18227%0.269CS..  trans-62.3141.8178-24.736.5000111.9L17 Y21 F23 F195 Q199 L200 A201L17-P197 HydrophobicContact CD2-CG 4.42Å; Y21-P197 HydrophobicContact CD1-CB 3.85Å; Y21-P197 HydrophobicContact CD1-CG 3.54Å; Y21-P197 HydrophobicContact CD2-CG 4.48Å; Y21-P197 HydrophobicContact CE1-CB 3.66Å; Y21-P197 HydrophobicContact CE1-CG 3.87Å; Y21-P197 HydrophobicContact CG-CG 3.88Å; F23-P197 HydrophobicContact CE2-CG 4Å; F195-P197 WeakPolarHBondContact O-CD 3.15Å; P197-Q199 VanDerWaalsContact C-N 3.25Å; P197-Q199 PolarHBondContact O-N 2.8Å; P197-L200 HydrophobicContact CB-CB 4.33Å; P197-L200 WeakPolarHBondContact O-CA 3.03Å; P197-L200 WeakPolarHBondContact O-CB 3.3Å; P197-L200 PolarHBondContact O-N 3.21Å; P197-A201 PolarHBondContact O-N 3.08Å
198E96.1Very high96.5Very high175 Ų17551.9 Ų51.982%0.81826%0.256SS*.Hα-helixtrans-56.3-38.9-178-67-178.4172.800112.9L200 A201 A202E198-L200 VanDerWaalsContact C-N 3.29Å; E198-L200 PolarHBondContact O-N 2.85Å; E198-A201 PolarHBondContact O-N 3.48Å; E198-A202 VanDerWaalsContact O-CB 3.3Å; E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.17Å
199Q98.2Very high96.4Very high145 Ų14551 Ų5168%0.67826%0.258SS*.Hα-helixtrans-63-36.3176.3-67.1-179.611.600112.5P197 K203P197-Q199 VanDerWaalsContact C-N 3.25Å; P197-Q199 PolarHBondContact O-N 2.8Å; Q199-K203 WeakPolarHBondContact O-CB 3.36Å; Q199-K203 PolarHBondContact O-N 3.27Å
200L98.5Very high96.1Very high0 Ų058.4 Ų58.40%030%0.297CS..Hα-helixtrans-73.1-44.3177.5-17759.1000110.2I13 E16 L17 Y21 V196 P197 E198 A202 K203 Y204I13-L200 HydrophobicContact CG2-CD2 4.17Å; E16-L200 HydrophobicContact CB-CD1 4.25Å; E16-L200 HydrophobicContact CG-CD1 4.13Å; L17-L200 HydrophobicContact CD2-CD2 3.52Å; L17-L200 HydrophobicContact CG-CD2 3.71Å; Y21-L200 HydrophobicContact CD2-CD2 4.15Å; Y21-L200 HydrophobicContact CE2-CB 3.76Å; Y21-L200 HydrophobicContact CE2-CD1 3.97Å; Y21-L200 HydrophobicContact CE2-CD2 4.01Å; Y21-L200 HydrophobicContact CE2-CG 4.14Å; Y21-L200 PolarHBondContact OH-N 2.89Å; V196-L200 HydrophobicContact CG1-CB 4.36Å; V196-L200 HydrophobicContact CG1-CD2 4.28Å; V196-L200 HydrophobicContact CG1-CG 4.35Å; P197-L200 HydrophobicContact CB-CB 4.33Å; P197-L200 WeakPolarHBondContact O-CA 3.03Å; P197-L200 WeakPolarHBondContact O-CB 3.3Å; P197-L200 PolarHBondContact O-N 3.21Å; E198-L200 VanDerWaalsContact C-N 3.29Å; E198-L200 PolarHBondContact O-N 2.85Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 3.45Å; L200-K203 PolarHBondContact O-N 3.22Å; L200-Y204 HydrophobicContact CD1-CD2 3.61Å; L200-Y204 HydrophobicContact CD1-CE2 3.4Å; L200-Y204 HydrophobicContact CG-CD2 4.4Å; L200-Y204 PolarHBondContact O-N 3.03Å
201A98Very high95.9Very high18 Ų1859.5 Ų59.515%0.14930%0.301CS..Hα-helixtrans-59.6-40.8175.600000112.1V196 P197 E198 E205 L206 L208V196-A201 HydrophobicContact CG1-CB 4.12Å; P197-A201 PolarHBondContact O-N 3.08Å; E198-A201 PolarHBondContact O-N 3.48Å; A201-E205 WeakPolarHBondContact O-CA 3.39Å; A201-E205 PolarHBondContact O-N 3.45Å; A201-E205 VanDerWaalsContact O-N 3.1Å; A201-L206 HydrophobicContact CB-CB 4.33Å; A201-L206 HydrophobicContact CB-CD1 4.2Å; A201-L206 HydrophobicContact CB-CG 4.46Å; A201-L206 PolarHBondContact O-N 3.17Å; A201-L208 HydrophobicContact CB-CD1 4.23Å
202A98.1Very high95.6Very high71 Ų7162.9 Ų62.959%0.58732%0.323SS*.Hα-helixtrans-66.8-44.6174.900000111.9E198 L200 Y204 E205E198-A202 VanDerWaalsContact O-CB 3.3Å; E198-A202 WeakPolarHBondContact O-CB 3.34Å; E198-A202 PolarHBondContact O-N 3.17Å; L200-A202 VanDerWaalsContact C-N 3.29Å; L200-A202 PolarHBondContact O-N 3.45Å; A202-Y204 VanDerWaalsContact C-N 3.31Å; A202-Y204 PolarHBondContact O-N 3.13Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.12Å
203K98.5Very high95.4Very high115 Ų11567.8 Ų67.850%0.535%0.354SS..Hα-helixtrans-55.8-43.2179.6176.1-177.1169.1-170.10112.8E16 Q199 L200E16-K203 IonicContact OE1-NZ 3.53Å; E16-K203 IonicContact OE2-NZ 2.65Å; E16-K203 PolarHBondContact OE2-NZ 2.66Å; Q199-K203 WeakPolarHBondContact O-CB 3.36Å; Q199-K203 PolarHBondContact O-N 3.27Å; L200-K203 PolarHBondContact O-N 3.22Å
204Y98.4Very high95.7Very high24 Ų2478.3 Ų78.39%0.09439%0.394CS..THydrogen-bonded Turntrans-96.35.9-179.2-69.9-89.5000113.3K3 E12 I13 E16 L200 A202 L206K3-Y204 WeakPolarHBondContact CD-O 3.37Å; K3-Y204 PolarHBondContact NZ-O 2.65Å; E12-Y204 HydrophobicContact CB-CE1 4.4Å; I13-Y204 HydrophobicContact CD1-CD1 3.97Å; I13-Y204 HydrophobicContact CD1-CD2 4.05Å; I13-Y204 HydrophobicContact CD1-CE1 4.44Å; I13-Y204 HydrophobicContact CD1-CG 3.76Å; I13-Y204 HydrophobicContact CG1-CD1 3.97Å; I13-Y204 HydrophobicContact CG1-CD2 3.59Å; I13-Y204 HydrophobicContact CG1-CE1 4Å; I13-Y204 HydrophobicContact CG1-CE2 3.62Å; I13-Y204 HydrophobicContact CG1-CG 3.78Å; E16-Y204 WeakPolarHBondContact OE2-CE2 3.43Å; E16-Y204 PolarHBondContact OE2-OH 3.29Å; L200-Y204 HydrophobicContact CD1-CD2 3.61Å; L200-Y204 HydrophobicContact CD1-CE2 3.4Å; L200-Y204 HydrophobicContact CG-CD2 4.4Å; L200-Y204 PolarHBondContact O-N 3.03Å; A202-Y204 VanDerWaalsContact C-N 3.31Å; A202-Y204 PolarHBondContact O-N 3.13Å; Y204-L206 VanDerWaalsContact C-N 3.26Å; Y204-L206 PolarHBondContact O-N 3.35Å
205E98.1Very high95.8Very high137 Ų13775.5 Ų75.564%0.6439%0.386SS*.THydrogen-bonded Turntrans50.745.7-177-59.1176.7-165.800112.1K3 A201 A202 N207K3-E205 WeakPolarHBondContact CB-O 3.2Å; K3-E205 WeakPolarHBondContact CD-O 3.4Å; A201-E205 WeakPolarHBondContact O-CA 3.39Å; A201-E205 PolarHBondContact O-N 3.45Å; A201-E205 VanDerWaalsContact O-N 3.1Å; A202-E205 PolarHBondContact O-N 3.01Å; A202-E205 VanDerWaalsContact O-N 3.12Å; E205-N207 PolarHBondContact O-N 2.85Å; E205-N207 PolarHBondContact O-ND2 3.49Å
206L98Very high95.8Very high0 Ų075.6 Ų75.60%039%0.39CS..  trans-64.3-24.9-172.1-63.6-172000113.2K3 L5 I13 V196 A201 Y204 L208K3-L206 WeakPolarHBondContact CB-O 3.14Å; K3-L206 PolarHBondContact N-O 3.28Å; L5-L206 HydrophobicContact CD2-CD2 3.6Å; L5-L206 HydrophobicContact CG-CD2 4.45Å; I13-L206 HydrophobicContact CD1-CD2 3.89Å; V196-L206 HydrophobicContact CG1-CD1 3.88Å; A201-L206 HydrophobicContact CB-CB 4.33Å; A201-L206 HydrophobicContact CB-CD1 4.2Å; A201-L206 HydrophobicContact CB-CG 4.46Å; A201-L206 PolarHBondContact O-N 3.17Å; Y204-L206 VanDerWaalsContact C-N 3.26Å; Y204-L206 PolarHBondContact O-N 3.35Å; L206-L208 HydrophobicContact CB-CD1 4.41Å; L206-L208 HydrophobicContact CB-CD2 3.87Å; L206-L208 HydrophobicContact CB-CG 3.71Å; L206-L208 HydrophobicContact CD1-CD1 4.09Å; L206-L208 HydrophobicContact CD1-CD2 4.31Å; L206-L208 HydrophobicContact CD1-CG 4.24Å; L206-L208 PolarHBondContact O-N 2.86Å
207N96.3Very high95.7Very high105 Ų10574.7 Ų74.756%0.56138%0.384SS*.  trans50.740.6-178.3-61.7-53.9000112.3M1 V2 E205M1-N207 VanDerWaalsContact O-CB 3.27Å; M1-N207 WeakPolarHBondContact O-CB 3.49Å; V2-N207 WeakPolarHBondContact CA-O 3.41Å; E205-N207 PolarHBondContact O-N 2.85Å; E205-N207 PolarHBondContact O-ND2 3.49Å
208L95.9Very high95.7Very high42 Ų4275.2 Ų75.222%0.2239%0.385CS..PPolyproline II helixtrans-62.1138.4-177.5-60.2179.7000110.4V2 T175 A176 L191 V196 A201 L206V2-L208 HydrophobicContact CG2-CD2 4.03Å; T175-L208 WeakPolarHBondContact O-CD2 3.3Å; A176-L208 HydrophobicContact CB-CD2 4.21Å; L191-L208 HydrophobicContact CD2-CD2 4.23Å; V196-L208 HydrophobicContact CB-CD1 3.76Å; V196-L208 HydrophobicContact CG1-CD1 4.02Å; V196-L208 HydrophobicContact CG2-CD1 3.96Å; A201-L208 HydrophobicContact CB-CD1 4.23Å; L206-L208 HydrophobicContact CB-CD1 4.41Å; L206-L208 HydrophobicContact CB-CD2 3.87Å; L206-L208 HydrophobicContact CB-CG 3.71Å; L206-L208 HydrophobicContact CD1-CD1 4.09Å; L206-L208 HydrophobicContact CD1-CD2 4.31Å; L206-L208 HydrophobicContact CD1-CG 4.24Å; L206-L208 PolarHBondContact O-N 2.86Å
209P94.3Very high95.7Very high40 Ų4071.6 Ų71.626%0.2637%0.368SS..PPolyproline II helixtrans-69.4155.5173.131.6-36.1000111L191 Y211 I218 L220L191-P209 HydrophobicContact CD2-CG 3.96Å; P209-Y211 PolarHBondContact O-N 2.88Å; P209-I218 HydrophobicContact CB-CD1 4.02Å; P209-I218 HydrophobicContact CG-CD1 4.22Å; P209-I218 HydrophobicContact CG-CG2 3.85Å; P209-L220 HydrophobicContact CG-CD2 4.3Å
210N92.2Very high95.6Very high156 Ų15665.4 Ų65.483%0.83434%0.34SS*.PPolyproline II helixtrans-70.6129.7170.7-70.8-36000110.2P212N210-P212 WeakPolarHBondContact O-CD 3.34Å
211Y93.2Very high94.8Very high28 Ų2873.1 Ų73.111%0.1138%0.381CS..PPolyproline II helixtrans-75.9120.8168.9-68.9-99.5000108.9L191 R194 P209 C216 I218L191-Y211 PolarHBondContact O-OH 3.29Å; R194-Y211 HydrophobicContact CB-CD1 4.02Å; R194-Y211 HydrophobicContact CB-CD2 3.95Å; R194-Y211 HydrophobicContact CB-CE1 4Å; R194-Y211 HydrophobicContact CB-CE2 3.93Å; R194-Y211 HydrophobicContact CB-CG 3.99Å; R194-Y211 HydrophobicContact CG-CD1 4.3Å; R194-Y211 HydrophobicContact CG-CD2 3.65Å; R194-Y211 HydrophobicContact CG-CE2 4.07Å; R194-Y211 HydrophobicContact CG-CG 3.77Å; P209-Y211 PolarHBondContact O-N 2.88Å; Y211-C216 VanDerWaalsContact CE1-O 3.26Å; Y211-C216 WeakPolarHBondContact CE1-O 3.23Å; Y211-I218 HydrophobicContact CD1-CB 4.47Å; Y211-I218 HydrophobicContact CD1-CG2 4.4Å; Y211-I218 HydrophobicContact CE1-CG2 4.1Å
212P91.7Very high93Very high71 Ų7178.2 Ų78.246%0.46141%0.41SS..PPolyproline II helixtrans-65.6141.1179.325.3-30.6000110.5N210 Y214 E215N210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-Y214 PolarHBondContact O-N 3.16Å; P212-Y214 VanDerWaalsContact O-N 3.1Å; P212-E215 HydrophobicContact CG-CB 4.3Å; P212-E215 HydrophobicContact CG-CG 4.02Å; P212-E215 VanDerWaalsContact O-CB 3.24Å; P212-E215 WeakPolarHBondContact O-CB 3.26Å; P212-E215 VanDerWaalsContact O-CG 3.32Å; P212-E215 WeakPolarHBondContact O-CG 3.4Å; P212-E215 PolarHBondContact O-N 2.9Å
213T92Very high92.7Very high104 Ų10478.6 Ų78.664%0.63840%0.401SS*.THydrogen-bonded Turntrans47.4-113.2174.866.30000113.2R194R194-T213 PolarHBondContact NH1-O 3.15Å; R194-T213 PolarHBondContact NH2-O 2.72Å
214Y90Very high92.4Very high221 Ų22176.6 Ų76.687%0.86740%0.396SS*.THydrogen-bonded Turntrans-111.913.2-177.5-51.2-72.4000112.2P212P212-Y214 PolarHBondContact O-N 3.16Å; P212-Y214 VanDerWaalsContact O-N 3.1Å
215E94.8Very high92.1Very high59 Ų5979.6 Ų79.628%0.27641%0.413SS..  trans-64.3137.2179.9-66.9-67.4179.200111.2K42 R194 P212K42-E215 WeakPolarHBondContact CE-OE2 3.32Å; K42-E215 IonicContact NZ-OE1 2.99Å; K42-E215 PolarHBondContact NZ-OE1 3.14Å; K42-E215 IonicContact NZ-OE2 2.72Å; K42-E215 PolarHBondContact NZ-OE2 3.02Å; R194-E215 WeakPolarHBondContact CD-O 3.28Å; R194-E215 PolarHBondContact NH1-O 3.33Å; P212-E215 HydrophobicContact CG-CB 4.3Å; P212-E215 HydrophobicContact CG-CG 4.02Å; P212-E215 VanDerWaalsContact O-CB 3.24Å; P212-E215 WeakPolarHBondContact O-CB 3.26Å; P212-E215 VanDerWaalsContact O-CG 3.32Å; P212-E215 WeakPolarHBondContact O-CG 3.4Å; P212-E215 PolarHBondContact O-N 2.9Å
216C94Very high91.7Very high26 Ų2676.2 Ų76.218%0.17640%0.399CS..SBendtrans-95.4-10.6172.361.20000112.8S35 T38 Y211S35-C216 PolarHBondContact OG-O 2.91Å; T38-C216 PolarHBondContact OG1-SG 3.07Å; Y211-C216 VanDerWaalsContact CE1-O 3.26Å; Y211-C216 WeakPolarHBondContact CE1-O 3.23Å
217V96Very high91.3Very high3 Ų380.9 Ų80.92%0.01842%0.424CS..EExtended strand (participates in β ladder)trans-134148.4178.6-66.80000111.7S35 T38 A39 K42 F190 L191S35-V217 WeakPolarHBondContact O-CG1 3.28Å; T38-V217 HydrophobicContact CG2-CG2 3.67Å; A39-V217 HydrophobicContact CB-CG1 4.2Å; K42-V217 HydrophobicContact CD-CG2 4.07Å; F190-V217 HydrophobicContact CD1-CB 4.47Å; L191-V217 WeakPolarHBondContact O-CA 3.42Å
218I96.4Very high91Very high39 Ų3979.3 Ų79.320%0.242%0.415CS..EExtended strand (participates in β ladder)trans-131.4139.2170.7-174.5171.7000109.5F190 L191 P209 Y211F190-I218 CarbonylContact C-O 3.51Å; F190-I218 WeakPolarHBondContact CA-O 3.44Å; L191-I218 HydrophobicContact CB-CG2 3.97Å; L191-I218 HydrophobicContact CD2-CG2 4.47Å; L191-I218 PolarHBondContact N-O 3.33Å; L191-I218 PolarHBondContact O-N 3.4Å; L191-I218 VanDerWaalsContact O-N 3.08Å; P209-I218 HydrophobicContact CB-CD1 4.02Å; P209-I218 HydrophobicContact CG-CD1 4.22Å; P209-I218 HydrophobicContact CG-CG2 3.85Å; Y211-I218 HydrophobicContact CD1-CB 4.47Å; Y211-I218 HydrophobicContact CD1-CG2 4.4Å; Y211-I218 HydrophobicContact CE1-CG2 4.1Å
219Q96.4Very high90.7Very high99 Ų9982 Ų8246%0.46343%0.429SS..EExtended strand (participates in β ladder)trans-77.2124.1171.5-170.5173.3-15.100109.1H189 F190H189-Q219 CarbonylContact O-C 3.39Å; H189-Q219 WeakPolarHBondContact O-CA 3.45Å; F190-Q219 HydrophobicContact CD1-CB 3.92Å; F190-Q219 HydrophobicContact CD1-CG 4.49Å; F190-Q219 HydrophobicContact CE1-CB 3.69Å; F190-Q219 HydrophobicContact CE1-CG 4.21Å; F190-Q219 HydrophobicContact CZ-CB 4.41Å; F190-Q219 HydrophobicContact CZ-CG 4.49Å
220L95.8Very high90.4Very high16 Ų1685.2 Ų85.28%0.08444%0.442CS..PPolyproline II helixtrans-78.8143.8171.1-58.9-177.6000109.3V2 P177 H189 L191 P209 V222V2-L220 HydrophobicContact CG1-CD1 4.2Å; V2-L220 HydrophobicContact CG1-CD2 4.35Å; P177-L220 HydrophobicContact CG-CD1 4.41Å; H189-L220 HydrophobicContact CB-CB 4.39Å; H189-L220 PolarHBondContact O-N 2.71Å; L191-L220 HydrophobicContact CB-CD1 4.08Å; L191-L220 HydrophobicContact CB-CD2 3.94Å; L191-L220 HydrophobicContact CB-CG 3.98Å; L191-L220 HydrophobicContact CD2-CD2 4.36Å; P209-L220 HydrophobicContact CG-CD2 4.3Å; L220-V222 PolarHBondContact O-N 3.02Å
221N81.8Confident90.2Very high161 Ų16179.3 Ų79.386%0.86141%0.409SS*.PPolyproline II helixtrans-71.5116.6168.7-63.3-27000107.6
222V60.5Low90Very high125 Ų12584 Ų8476%0.75844%0.436SS*.  trans-84.50175.1-164.70000110.1F184 H189 L220F184-V222 HydrophobicContact CD1-CG1 4.31Å; H189-V222 HydrophobicContact CB-CG2 3.41Å; H189-V222 VanDerWaalsContact CB-CG2 3.41Å; L220-V222 PolarHBondContact O-N 3.02Å

Retrieved 222 of 222 residues in 106.2 ms (Link to these results)

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