A0A077ZFA5_TRITR Loading...

Serine:threonine protein kinase tousled

AlphaFold DB , UniProt , Accession A0A077ZFA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 486 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
1M58Low79.9Confident185 Ų185115.4 Ų115.491%0.91155%0.552SS**  0-73.30-64.2-157.2-153.100113.2N3 D4 Q5M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.8Å; M1-D4 WeakPolarHBondContact CA-OD2 3.17Å; M1-D4 PolarHBondContact N-OD2 3.26Å; M1-D4 PolarHBondContact O-N 2.78Å; M1-D4 VanDerWaalsContact O-N 3.14Å; M1-Q5 PolarHBondContact O-N 3.47Å
2I63.6Low80.8Confident127 Ų127106.8 Ų106.865%0.65152%0.515SS*.Hα-helixtrans-58.5-38.6-178.9-63.6174.8000111.9K6I2-K6 HydrophobicContact CG2-CD 4.37Å; I2-K6 WeakPolarHBondContact O-CG 3.38Å; I2-K6 PolarHBondContact O-N 3.48Å; I2-K6 VanDerWaalsContact O-N 3.16Å
3N79.8Confident81.7Confident126 Ų126104.7 Ų104.767%0.67451%0.512SS*.Hα-helixtrans-68.4-39.7178.7-156.511.4000112.3M1 K6 R7M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.8Å; N3-K6 PolarHBondContact O-N 2.9Å; N3-R7 VanDerWaalsContact O-CB 3.24Å; N3-R7 WeakPolarHBondContact O-CB 3.38Å; N3-R7 PolarHBondContact O-N 3.01Å
4D78.9Confident82.5Confident100 Ų100103.9 Ų103.954%0.53551%0.507SS..Hα-helixtrans-69.3-39.1-179-48.4-51.8000111.6M1 R7 A8M1-D4 WeakPolarHBondContact CA-OD2 3.17Å; M1-D4 PolarHBondContact N-OD2 3.26Å; M1-D4 PolarHBondContact O-N 2.78Å; M1-D4 VanDerWaalsContact O-N 3.14Å; D4-R7 PolarHBondContact O-N 2.75Å; D4-A8 WeakPolarHBondContact O-CB 3.49Å; D4-A8 PolarHBondContact O-N 3.2Å
5Q79Confident83.3Confident133 Ų13398.7 Ų98.762%0.62148%0.481SS*.Hα-helixtrans-65.8-45.4175.2-75.7-178.9-29.500112.1M1 R7 A8 Q9M1-Q5 PolarHBondContact O-N 3.47Å; Q5-R7 VanDerWaalsContact C-N 3.29Å; Q5-R7 PolarHBondContact O-N 3.42Å; Q5-A8 PolarHBondContact O-N 2.91Å; Q5-Q9 WeakPolarHBondContact O-CB 3.35Å; Q5-Q9 WeakPolarHBondContact O-CG 3.38Å; Q5-Q9 PolarHBondContact O-N 3.36Å
6K84.8Confident83.9Confident135 Ų13596.3 Ų96.359%0.58747%0.469SS*.Hα-helixtrans-61.7-39.6175.4-74.8-175.4177.7-173.10111.6I2 N3 Q9 F10I2-K6 HydrophobicContact CG2-CD 4.37Å; I2-K6 WeakPolarHBondContact O-CG 3.38Å; I2-K6 PolarHBondContact O-N 3.48Å; I2-K6 VanDerWaalsContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 2.9Å; K6-Q9 PolarHBondContact O-N 3.27Å; K6-F10 WeakPolarHBondContact O-CB 3.12Å; K6-F10 PolarHBondContact O-N 3.45Å
7R84.6Confident84.6Confident140 Ų14096.5 Ų96.553%0.52847%0.473SS..Hα-helixtrans-64.3-46176-174.7175.8-176.8-166.6-5.1111.8N3 D4 Q5 F10 F11N3-R7 VanDerWaalsContact O-CB 3.24Å; N3-R7 WeakPolarHBondContact O-CB 3.38Å; N3-R7 PolarHBondContact O-N 3.01Å; D4-R7 PolarHBondContact O-N 2.75Å; Q5-R7 VanDerWaalsContact C-N 3.29Å; Q5-R7 PolarHBondContact O-N 3.42Å; R7-F10 PolarHBondContact O-N 2.87Å; R7-F11 HydrophobicContact CG-CD2 3.88Å; R7-F11 HydrophobicContact CG-CE2 3.54Å; R7-F11 WeakPolarHBondContact O-CD2 3.48Å; R7-F11 PolarHBondContact O-N 2.81Å; R7-F11 VanDerWaalsContact O-N 3.09Å
8A84.4Confident85.1Confident27 Ų2796.6 Ų96.622%0.22347%0.471CS..Hα-helixtrans-62.8-42176.100000112D4 Q5 F11 A12 L204D4-A8 WeakPolarHBondContact O-CB 3.49Å; D4-A8 PolarHBondContact O-N 3.2Å; Q5-A8 PolarHBondContact O-N 2.91Å; A8-F11 PolarHBondContact O-N 3.07Å; A8-A12 VanDerWaalsContact O-CB 3.31Å; A8-A12 WeakPolarHBondContact O-CB 3.42Å; A8-A12 PolarHBondContact O-N 2.9Å; A8-L204 HydrophobicContact CB-CB 4.37Å; A8-L204 WeakPolarHBondContact O-CD2 3.48Å
9Q86.9Confident85.5Confident132 Ų13291.5 Ų91.562%0.61745%0.446SS*.Hα-helixtrans-61.9-43.3175.3-75.8176.2-17.500112.2Q5 K6 A12 T13Q5-Q9 WeakPolarHBondContact O-CB 3.35Å; Q5-Q9 WeakPolarHBondContact O-CG 3.38Å; Q5-Q9 PolarHBondContact O-N 3.36Å; K6-Q9 PolarHBondContact O-N 3.27Å; Q9-A12 PolarHBondContact O-N 3.28Å; Q9-T13 PolarHBondContact O-N 3.09Å; Q9-T13 PolarHBondContact O-OG1 2.59Å
10F89.7Confident86Confident116 Ų11691.4 Ų91.451%0.50945%0.447SS..Hα-helixtrans-58.5-52.2176.7177.9-95.5000111.9K6 R7 A12 T13 E14K6-F10 WeakPolarHBondContact O-CB 3.12Å; K6-F10 PolarHBondContact O-N 3.45Å; R7-F10 PolarHBondContact O-N 2.87Å; F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 2.9Å; F10-T13 PolarHBondContact O-N 2.81Å; F10-E14 HydrophobicContact CE1-CG 4.1Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.41Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.25Å; F10-E14 VanDerWaalsContact CZ-CD 3.41Å; F10-E14 HydrophobicContact CZ-CG 4.09Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.11Å; F10-E14 PolarHBondContact O-N 3.44Å
11F89.1Confident86.4Confident48 Ų4891.3 Ų91.321%0.21145%0.448CS..Hα-helixtrans-63.2-37.6177.1-74.8-63.8000112.8R7 A8 T13 E14 E15 F202 L204 L207R7-F11 HydrophobicContact CG-CD2 3.88Å; R7-F11 HydrophobicContact CG-CE2 3.54Å; R7-F11 WeakPolarHBondContact O-CD2 3.48Å; R7-F11 PolarHBondContact O-N 2.81Å; R7-F11 VanDerWaalsContact O-N 3.09Å; A8-F11 PolarHBondContact O-N 3.07Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.36Å; F11-E14 PolarHBondContact O-N 2.92Å; F11-E15 WeakPolarHBondContact O-CB 3.35Å; F11-E15 VanDerWaalsContact O-CG 3.28Å; F11-E15 WeakPolarHBondContact O-CG 3.41Å; F11-E15 PolarHBondContact O-N 2.97Å; F11-F202 HydrophobicContact CB-CE1 4.35Å; F11-L204 HydrophobicContact CB-CD2 4.19Å; F11-L207 HydrophobicContact CD2-CD1 4.34Å; F11-L207 HydrophobicContact CD2-CD2 3.55Å; F11-L207 HydrophobicContact CE2-CD1 3.77Å; F11-L207 HydrophobicContact CE2-CD2 3.86Å; F11-L207 HydrophobicContact CE2-CG 4.48Å; F11-L207 HydrophobicContact CG-CD2 4.09Å; F11-L207 HydrophobicContact CZ-CD1 4.22Å
12A90.6Very high88.1Confident13 Ų1383.9 Ų83.911%0.10741%0.411CS..Hα-helixtrans-59.7-44.5176.500000111.4A8 Q9 F10 M16 L185 L204A8-A12 VanDerWaalsContact O-CB 3.31Å; A8-A12 WeakPolarHBondContact O-CB 3.42Å; A8-A12 PolarHBondContact O-N 2.9Å; Q9-A12 PolarHBondContact O-N 3.28Å; F10-A12 VanDerWaalsContact C-N 3.32Å; F10-A12 PolarHBondContact O-N 2.9Å; A12-M16 WeakPolarHBondContact O-CB 3.34Å; A12-M16 WeakPolarHBondContact O-CG 3.3Å; A12-M16 PolarHBondContact O-N 3.25Å; A12-L185 HydrophobicContact CB-CD2 4.06Å; A12-L204 HydrophobicContact CB-CD1 4.14Å; A12-L204 HydrophobicContact CB-CD2 3.93Å
13T92.7Very high89.5Confident79 Ų7978.3 Ų78.349%0.48538%0.382SS..Hα-helixtrans-64.1-47.3177-57.90000111.8Q9 F10 F11 E15 M16 D17Q9-T13 PolarHBondContact O-N 3.09Å; Q9-T13 PolarHBondContact O-OG1 2.59Å; F10-T13 PolarHBondContact O-N 2.81Å; F11-T13 VanDerWaalsContact C-N 3.32Å; F11-T13 PolarHBondContact O-N 3.36Å; T13-E15 PolarHBondContact O-N 3.31Å; T13-M16 PolarHBondContact O-N 3.13Å; T13-D17 PolarHBondContact O-N 3.5Å
14E93.4Very high90.1Very high93 Ų9378.9 Ų78.944%0.43538%0.378SS..Hα-helixtrans-59.8-44.4178.3-71.7-166.9140.700112.4F10 F11 D17 F18F10-E14 HydrophobicContact CE1-CG 4.1Å; F10-E14 WeakPolarHBondContact CE1-OE1 3.41Å; F10-E14 WeakPolarHBondContact CE1-OE2 3.25Å; F10-E14 VanDerWaalsContact CZ-CD 3.41Å; F10-E14 HydrophobicContact CZ-CG 4.09Å; F10-E14 WeakPolarHBondContact CZ-OE1 3.11Å; F10-E14 PolarHBondContact O-N 3.44Å; F11-E14 PolarHBondContact O-N 2.92Å; E14-D17 PolarHBondContact O-N 3.39Å; E14-F18 WeakPolarHBondContact O-CB 3.27Å; E14-F18 PolarHBondContact O-N 2.97Å
15E93.9Very high90.9Very high26 Ų2679.8 Ų79.812%0.12138%0.379CS..Hα-helixtrans-68.6-34.4179.3-70.5-62.8148.700112.6F11 T13 S19 L185 L187 F202 Y209F11-E15 WeakPolarHBondContact O-CB 3.35Å; F11-E15 VanDerWaalsContact O-CG 3.28Å; F11-E15 WeakPolarHBondContact O-CG 3.41Å; F11-E15 PolarHBondContact O-N 2.97Å; T13-E15 PolarHBondContact O-N 3.31Å; E15-S19 VanDerWaalsContact O-CB 3.24Å; E15-S19 WeakPolarHBondContact O-CB 3.48Å; E15-S19 PolarHBondContact O-N 2.93Å; E15-L185 HydrophobicContact CB-CD2 4.3Å; E15-L187 HydrophobicContact CB-CD1 4.37Å; E15-L187 HydrophobicContact CB-CD2 4Å; E15-F202 HydrophobicContact CG-CB 4.31Å; E15-F202 HydrophobicContact CG-CD1 4.1Å; E15-F202 HydrophobicContact CG-CD2 3.97Å; E15-F202 HydrophobicContact CG-CE1 4.38Å; E15-F202 HydrophobicContact CG-CE2 4.26Å; E15-F202 HydrophobicContact CG-CG 3.88Å; E15-F202 HydrophobicContact CG-CZ 4.45Å; E15-Y209 VanDerWaalsContact CD-OH 3.24Å; E15-Y209 PolarHBondContact OE1-OH 2.74Å; E15-Y209 VanDerWaalsContact OE1-OH 3.12Å; E15-Y209 WeakPolarHBondContact OE2-CE1 3.38Å; E15-Y209 VanDerWaalsContact OE2-CZ 3.22Å; E15-Y209 PolarHBondContact OE2-OH 2.72Å
16M93.7Very high91.5Very high60 Ų6076.5 Ų76.530%0.29636%0.361SS..Hα-helixtrans-63.5-48.8171.8-74.7176.6-166.400110.9A12 T13 F18 S19 I20 F178 L185A12-M16 WeakPolarHBondContact O-CB 3.34Å; A12-M16 WeakPolarHBondContact O-CG 3.3Å; A12-M16 PolarHBondContact O-N 3.25Å; T13-M16 PolarHBondContact O-N 3.13Å; M16-F18 PolarHBondContact O-N 3.29Å; M16-S19 PolarHBondContact O-N 3.48Å; M16-I20 VanDerWaalsContact O-CG1 3.29Å; M16-I20 WeakPolarHBondContact O-CG1 3.06Å; M16-I20 PolarHBondContact O-N 2.93Å; M16-F178 HydrophobicContact CB-CD2 4.31Å; M16-F178 HydrophobicContact CB-CE1 4.43Å; M16-F178 HydrophobicContact CB-CE2 4.01Å; M16-F178 HydrophobicContact CB-CZ 4.09Å; M16-F178 HydrophobicContact CE-CB 4.2Å; M16-F178 HydrophobicContact CG-CB 4.48Å; M16-F178 HydrophobicContact CG-CD1 4.01Å; M16-F178 HydrophobicContact CG-CD2 3.91Å; M16-F178 HydrophobicContact CG-CE1 4.21Å; M16-F178 HydrophobicContact CG-CE2 4.1Å; M16-F178 HydrophobicContact CG-CG 3.87Å; M16-F178 HydrophobicContact CG-CZ 4.25Å; M16-F178 WeakPolarHBondContact O-CZ 3.46Å; M16-F178 HydrophobicContact SD-CB 4.48Å; M16-F178 HydrophobicContact SD-CD2 4.21Å; M16-F178 HydrophobicContact SD-CG 4.33Å; M16-L185 HydrophobicContact CE-CD1 3.39Å; M16-L185 HydrophobicContact CE-CD2 3.96Å; M16-L185 HydrophobicContact CE-CG 4.33Å; M16-L185 HydrophobicContact CG-CD1 4.37Å; M16-L185 HydrophobicContact CG-CD2 3.97Å
17D94.9Very high91.9Very high100 Ų10074.7 Ų74.754%0.53535%0.351SS..Hα-helixtrans-61-44.6-179.5-74.2-19.7000111.4T13 E14 S19 I20 L21T13-D17 PolarHBondContact O-N 3.5Å; E14-D17 PolarHBondContact O-N 3.39Å; D17-S19 PolarHBondContact O-N 2.92Å; D17-I20 PolarHBondContact O-N 3.49Å; D17-L21 PolarHBondContact O-N 2.9Å; D17-L21 VanDerWaalsContact O-N 3.13Å
18F93.7Very high92.4Very high98 Ų9870.9 Ų70.943%0.4334%0.343SS..Hα-helixtrans-62.4-43.1175.1-174.1-110000111.9E14 M16 I20 L21 E22E14-F18 WeakPolarHBondContact O-CB 3.27Å; E14-F18 PolarHBondContact O-N 2.97Å; M16-F18 PolarHBondContact O-N 3.29Å; F18-I20 PolarHBondContact O-N 2.89Å; F18-L21 PolarHBondContact O-N 3.41Å; F18-E22 HydrophobicContact CD1-CG 4.37Å; F18-E22 HydrophobicContact CE1-CG 4Å; F18-E22 WeakPolarHBondContact CE1-OE1 3.38Å; F18-E22 HydrophobicContact CZ-CG 4.15Å; F18-E22 PolarHBondContact O-N 3.2Å
19S93.5Very high92.9Very high0 Ų075.9 Ų75.90%036%0.36CS..Hα-helixtrans-64.2-39.4176.4-176.70000112.6E15 M16 D17 L21 E22 R23 L187E15-S19 VanDerWaalsContact O-CB 3.24Å; E15-S19 WeakPolarHBondContact O-CB 3.48Å; E15-S19 PolarHBondContact O-N 2.93Å; M16-S19 PolarHBondContact O-N 3.48Å; D17-S19 PolarHBondContact O-N 2.92Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 3.24Å; S19-E22 PolarHBondContact O-N 3.45Å; S19-R23 VanDerWaalsContact O-CB 3.3Å; S19-R23 WeakPolarHBondContact O-CB 3.35Å; S19-R23 WeakPolarHBondContact O-CG 3.35Å; S19-R23 PolarHBondContact O-N 2.93Å; S19-R23 PolarHBondContact OG-NE 3.37Å; S19-L187 PolarHBondContact OG-O 3.4Å
20I94.2Very high93.1Very high89 Ų8970.4 Ų70.446%0.45634%0.336SS..Hα-helixtrans-58.3-45.3174.8-70.4166.1000110.2M16 D17 F18 R23 K24 F178M16-I20 VanDerWaalsContact O-CG1 3.29Å; M16-I20 WeakPolarHBondContact O-CG1 3.06Å; M16-I20 PolarHBondContact O-N 2.93Å; D17-I20 PolarHBondContact O-N 3.49Å; F18-I20 PolarHBondContact O-N 2.89Å; I20-R23 PolarHBondContact O-N 3.29Å; I20-K24 WeakPolarHBondContact O-CB 3Å; I20-K24 PolarHBondContact O-N 3.27Å; I20-F178 HydrophobicContact CD1-CE2 4Å; I20-F178 HydrophobicContact CD1-CZ 4.46Å; I20-F178 HydrophobicContact CG1-CE2 3.73Å; I20-F178 HydrophobicContact CG1-CZ 3.79Å
21L94.7Very high93.2Very high90 Ų9070.9 Ų70.947%0.47134%0.341SS..Hα-helixtrans-63-50.3178.3-17761.5000111.5D17 F18 S19 R23 K24 E25D17-L21 PolarHBondContact O-N 2.9Å; D17-L21 VanDerWaalsContact O-N 3.13Å; F18-L21 PolarHBondContact O-N 3.41Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 3.24Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.06Å; L21-K24 WeakPolarHBondContact O-CB 3.48Å; L21-K24 PolarHBondContact O-N 2.93Å; L21-K24 VanDerWaalsContact O-N 3.13Å; L21-E25 WeakPolarHBondContact O-CG 3.13Å; L21-E25 PolarHBondContact O-N 3.01Å
22E93.3Very high93.4Very high30 Ų3074 Ų7414%0.1436%0.356CS..Hα-helixtrans-59.3-42.8177.5-74.8-168.3179.300112.3F18 S19 K24 E25 R26 R200F18-E22 HydrophobicContact CD1-CG 4.37Å; F18-E22 HydrophobicContact CE1-CG 4Å; F18-E22 WeakPolarHBondContact CE1-OE1 3.38Å; F18-E22 HydrophobicContact CZ-CG 4.15Å; F18-E22 PolarHBondContact O-N 3.2Å; S19-E22 PolarHBondContact O-N 3.45Å; E22-K24 VanDerWaalsContact C-N 3.3Å; E22-K24 PolarHBondContact O-N 3.39Å; E22-E25 PolarHBondContact O-N 3.4Å; E22-R26 WeakPolarHBondContact O-CB 3.45Å; E22-R26 WeakPolarHBondContact O-CG 3.49Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE2-CZ 3.31Å; E22-R26 IonicContact OE2-NH1 3.51Å; E22-R26 PolarHBondContact OE2-NH1 2.88Å; E22-R26 IonicContact OE2-NH2 3.92Å; E22-R26 PolarHBondContact OE2-NH2 3.5Å; E22-R200 IonicContact OE1-CZ 3.88Å; E22-R200 IonicContact OE1-NH1 3.62Å; E22-R200 PolarHBondContact OE1-NH1 3.35Å; E22-R200 IonicContact OE1-NH2 2.7Å; E22-R200 PolarHBondContact OE1-NH2 3.31Å; E22-R200 IonicContact OE2-CZ 2.83Å; E22-R200 IonicContact OE2-NH1 3.14Å; E22-R200 PolarHBondContact OE2-NH1 3.31Å; E22-R200 VanDerWaalsContact OE2-NH1 3.14Å
23R93Very high93.6Very high9 Ų975 Ų753%0.03436%0.36CS..Hα-helixtrans-61.9-40.3177.2-73.8172.1178.1-158.5-1.9110.7S19 I20 L21 R27 E175 L176 L187S19-R23 VanDerWaalsContact O-CB 3.3Å; S19-R23 WeakPolarHBondContact O-CB 3.35Å; S19-R23 WeakPolarHBondContact O-CG 3.35Å; S19-R23 PolarHBondContact O-N 2.93Å; S19-R23 PolarHBondContact OG-NE 3.37Å; I20-R23 PolarHBondContact O-N 3.29Å; L21-R23 VanDerWaalsContact C-N 3.33Å; L21-R23 PolarHBondContact O-N 3.06Å; R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 VanDerWaalsContact O-CG 3.29Å; R23-R27 WeakPolarHBondContact O-CG 3.26Å; R23-R27 PolarHBondContact O-N 3.47Å; R23-E175 PolarHBondContact NH1-O 2.94Å; R23-L176 PolarHBondContact NH1-O 3.27Å; R23-L187 PolarHBondContact NE-O 2.69Å; R23-L187 PolarHBondContact NH2-O 3.36Å
24K93.6Very high93.5Very high138 Ų13871.4 Ų71.460%0.634%0.339SS*.Hα-helixtrans-63.9-47.2176.1-175.2179.9177.4-177.20111.3I20 L21 E22 R26 R27 T28I20-K24 WeakPolarHBondContact O-CB 3Å; I20-K24 PolarHBondContact O-N 3.27Å; L21-K24 WeakPolarHBondContact O-CB 3.48Å; L21-K24 PolarHBondContact O-N 2.93Å; L21-K24 VanDerWaalsContact O-N 3.13Å; E22-K24 VanDerWaalsContact C-N 3.3Å; E22-K24 PolarHBondContact O-N 3.39Å; K24-R26 PolarHBondContact O-N 3.19Å; K24-R27 PolarHBondContact O-N 3.5Å; K24-T28 PolarHBondContact O-N 3.37Å; K24-T28 PolarHBondContact O-OG1 3.46Å
25E95.2Very high93.4Very high119 Ų11972.6 Ų72.656%0.55635%0.348SS*.Hα-helixtrans-60.3-44.9176.5-70.8178.8176.800112.1L21 E22 R27 T28 K29L21-E25 WeakPolarHBondContact O-CG 3.13Å; L21-E25 PolarHBondContact O-N 3.01Å; E22-E25 PolarHBondContact O-N 3.4Å; E25-R27 VanDerWaalsContact C-N 3.32Å; E25-R27 PolarHBondContact O-N 3.49Å; E25-T28 PolarHBondContact O-N 3.17Å; E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.82Å
26R92.7Very high93.5Very high65 Ų6574.2 Ų74.225%0.24535%0.352CS..Hα-helixtrans-60.4-40.5176.1-76.1-169-80-96.12.2112.1E22 K24 C30E22-R26 WeakPolarHBondContact O-CB 3.45Å; E22-R26 WeakPolarHBondContact O-CG 3.49Å; E22-R26 PolarHBondContact O-N 2.73Å; E22-R26 IonicContact OE2-CZ 3.31Å; E22-R26 IonicContact OE2-NH1 3.51Å; E22-R26 PolarHBondContact OE2-NH1 2.88Å; E22-R26 IonicContact OE2-NH2 3.92Å; E22-R26 PolarHBondContact OE2-NH2 3.5Å; K24-R26 PolarHBondContact O-N 3.19Å; R26-C30 VanDerWaalsContact O-CB 3.28Å; R26-C30 WeakPolarHBondContact O-CB 3.42Å; R26-C30 PolarHBondContact O-N 2.65Å
27R92.4Very high93.4Very high96 Ų9671.4 Ų71.436%0.36234%0.339SS..Hα-helixtrans-66.5-42.7175.8-74.7173.7-177.5166.71.6112.5R23 K24 E25 C30 M31 L171 L176R23-R27 WeakPolarHBondContact O-CB 3.49Å; R23-R27 VanDerWaalsContact O-CG 3.29Å; R23-R27 WeakPolarHBondContact O-CG 3.26Å; R23-R27 PolarHBondContact O-N 3.47Å; K24-R27 PolarHBondContact O-N 3.5Å; E25-R27 VanDerWaalsContact C-N 3.32Å; E25-R27 PolarHBondContact O-N 3.49Å; R27-C30 PolarHBondContact O-N 2.83Å; R27-M31 PolarHBondContact O-N 2.95Å; R27-L171 HydrophobicContact CG-CD1 4.31Å; R27-L171 HydrophobicContact CG-CD2 3.87Å; R27-L176 VanDerWaalsContact NH1-CD2 3.26Å
28T94.9Very high93.1Very high61 Ų6166.9 Ų66.937%0.37432%0.315SS..Hα-helixtrans-60.4-49175.2-64.50000110.9K24 E25 C30 M31 E32K24-T28 PolarHBondContact O-N 3.37Å; K24-T28 PolarHBondContact O-OG1 3.46Å; E25-T28 PolarHBondContact O-N 3.17Å; T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.73Å; T28-M31 WeakPolarHBondContact O-CB 3.44Å; T28-M31 PolarHBondContact O-N 3.4Å; T28-M31 VanDerWaalsContact O-N 3.09Å; T28-E32 PolarHBondContact O-N 3.47Å
29K94.5Very high92.5Very high131 Ų13165 Ų6557%0.5732%0.315SS*.Hα-helixtrans-59.1-44.1176.1-175.7-178.9177.2-176.50112.2E25 M31 E32 D33E25-K29 WeakPolarHBondContact O-CB 3.29Å; E25-K29 PolarHBondContact O-N 2.82Å; K29-M31 VanDerWaalsContact C-N 3.26Å; K29-M31 PolarHBondContact O-N 3.47Å; K29-E32 PolarHBondContact O-N 3.03Å; K29-D33 WeakPolarHBondContact O-CB 3.36Å; K29-D33 PolarHBondContact O-N 3.42Å
30C92.2Very high91.6Very high17 Ų1766.5 Ų66.512%0.11532%0.322CS..Hα-helixtrans-61.3-35.1176.5-173.90000112.1R26 R27 T28 G34 Y164 L171R26-C30 VanDerWaalsContact O-CB 3.28Å; R26-C30 WeakPolarHBondContact O-CB 3.42Å; R26-C30 PolarHBondContact O-N 2.65Å; R27-C30 PolarHBondContact O-N 2.83Å; T28-C30 VanDerWaalsContact C-N 3.34Å; T28-C30 PolarHBondContact O-N 2.73Å; C30-G34 PolarHBondContact O-N 3.23Å; C30-Y164 WeakPolarHBondContact O-CE2 3.22Å; C30-L171 HydrophobicContact CB-CD1 3.49Å; C30-L171 VanDerWaalsContact CB-CD1 3.49Å
31M91.1Very high90.3Very high127 Ų12770.5 Ų70.563%0.62633%0.331SS*.Hα-helixtrans-67.9-43.9175.1-175.5-17967.600111.7R27 T28 K29 G34 L35R27-M31 PolarHBondContact O-N 2.95Å; T28-M31 WeakPolarHBondContact O-CB 3.44Å; T28-M31 PolarHBondContact O-N 3.4Å; T28-M31 VanDerWaalsContact O-N 3.09Å; K29-M31 VanDerWaalsContact C-N 3.26Å; K29-M31 PolarHBondContact O-N 3.47Å; M31-G34 PolarHBondContact O-N 3.03Å; M31-L35 PolarHBondContact O-N 2.96Å
32E93.7Very high88.7Confident113 Ų11368.7 Ų68.753%0.52833%0.325SS..Hα-helixtrans-61.6-45.1175.2-68.3171.8-179.800111.9T28 K29 G34 L35 R36T28-E32 PolarHBondContact O-N 3.47Å; K29-E32 PolarHBondContact O-N 3.03Å; E32-G34 VanDerWaalsContact C-N 3.26Å; E32-G34 PolarHBondContact O-N 3.16Å; E32-L35 PolarHBondContact O-N 3.44Å; E32-R36 PolarHBondContact O-N 3.42Å; E32-R36 VanDerWaalsContact O-N 3.09Å
33D93.6Very high87Confident33 Ų3369.8 Ų69.818%0.17633%0.332CS..Hα-helixtrans-63.4-32.6175.1-78-28.5000111.5K29 R36 F37 Y164K29-D33 WeakPolarHBondContact O-CB 3.36Å; K29-D33 PolarHBondContact O-N 3.42Å; D33-R36 PolarHBondContact O-N 2.94Å; D33-F37 HydrophobicContact CB-CD2 4.01Å; D33-F37 HydrophobicContact CB-CE2 4.12Å; D33-F37 VanDerWaalsContact O-CD2 3.26Å; D33-F37 WeakPolarHBondContact O-CD2 3.35Å; D33-F37 PolarHBondContact O-N 3.44Å; D33-Y164 HydrophobicContact CB-CD2 3.4Å; D33-Y164 VanDerWaalsContact CB-CD2 3.4Å; D33-Y164 HydrophobicContact CB-CE2 3.97Å; D33-Y164 HydrophobicContact CB-CG 3.96Å
34G91.3Very high85.2Confident4 Ų477.1 Ų77.14%0.04137%0.366CS..Hα-helixtrans-64.5-37.3173.200000113.9C30 M31 E32 R36 G38 Y164C30-G34 PolarHBondContact O-N 3.23Å; M31-G34 PolarHBondContact O-N 3.03Å; E32-G34 VanDerWaalsContact C-N 3.26Å; E32-G34 PolarHBondContact O-N 3.16Å; G34-R36 VanDerWaalsContact C-N 3.32Å; G34-G38 CarbonylContact O-C 3.34Å; G34-G38 VanDerWaalsContact O-CA 3.24Å; G34-G38 WeakPolarHBondContact O-CA 3.09Å; G34-G38 PolarHBondContact O-N 3.37Å; G34-Y164 VanDerWaalsContact CA-CZ 3.47Å; G34-Y164 VanDerWaalsContact CA-OH 3.25Å; G34-Y164 WeakPolarHBondContact CA-OH 3.41Å
35L92.5Very high83.1Confident119 Ų11981.2 Ų81.262%0.62338%0.378SS*.Hα-helixtrans-68.1-36.2171.6-63.7174.4000111.3M31 E32 G56 Y57M31-L35 PolarHBondContact O-N 2.96Å; E32-L35 PolarHBondContact O-N 3.44Å; L35-G56 WeakPolarHBondContact O-CA 3.44Å; L35-Y57 HydrophobicContact CB-CE1 4.39Å; L35-Y57 WeakPolarHBondContact O-CD1 3.44Å; L35-Y57 PolarHBondContact O-N 3.31Å; L35-Y57 VanDerWaalsContact O-N 3.16Å
36R94.6Very high80.4Confident59 Ų5982.3 Ų82.322%0.22339%0.388CS..Hα-helixtrans-72.9-45.3-177.3-172.8171.3-179.9-133.1-13.9113.7E32 D33 G34 G56 Y57 A58 E160E32-R36 PolarHBondContact O-N 3.42Å; E32-R36 VanDerWaalsContact O-N 3.09Å; D33-R36 PolarHBondContact O-N 2.94Å; G34-R36 VanDerWaalsContact C-N 3.32Å; R36-G56 CarbonylContact O-C 3.53Å; R36-G56 VanDerWaalsContact O-C 3.28Å; R36-G56 WeakPolarHBondContact O-CA 3.43Å; R36-Y57 HydrophobicContact CB-CD1 4.46Å; R36-Y57 HydrophobicContact CB-CE1 3.67Å; R36-Y57 WeakPolarHBondContact CD-OH 3.29Å; R36-Y57 HydrophobicContact CG-CE1 4.1Å; R36-Y57 HydrophobicContact CG-CE2 4.05Å; R36-Y57 WeakPolarHBondContact CG-OH 3.46Å; R36-Y57 PolarHBondContact O-N 3.25Å; R36-A58 HydrophobicContact CG-CB 3.91Å; R36-A58 WeakPolarHBondContact O-CB 3.4Å; R36-A58 PolarHBondContact O-N 3.15Å; R36-E160 IonicContact CZ-OE2 4Å; R36-E160 IonicContact NH1-OE2 3.23Å; R36-E160 PolarHBondContact NH1-OE2 2.95Å; R36-E160 IonicContact NH2-OE2 2.72Å; R36-E160 PolarHBondContact NH2-OE2 3.23Å
37F92.4Very high78.2Confident2 Ų283.4 Ų83.41%0.00942%0.419CS..Hα-helixtrans-107.4-11.7-172.5-57.8-59.1000114.6D33 F59 L157 E160 Q161 Y164D33-F37 HydrophobicContact CB-CD2 4.01Å; D33-F37 HydrophobicContact CB-CE2 4.12Å; D33-F37 VanDerWaalsContact O-CD2 3.26Å; D33-F37 WeakPolarHBondContact O-CD2 3.35Å; D33-F37 PolarHBondContact O-N 3.44Å; F37-F59 HydrophobicContact CB-CE2 4.41Å; F37-F59 AromaticContact CD1-CE2 3.98Å; F37-F59 HydrophobicContact CD1-CE2 3.98Å; F37-L157 HydrophobicContact CE1-CD2 3.98Å; F37-E160 HydrophobicContact CE1-CB 3.83Å; F37-E160 HydrophobicContact CE2-CB 4.18Å; F37-E160 HydrophobicContact CZ-CB 3.39Å; F37-E160 HydrophobicContact CZ-CG 4.48Å; F37-Q161 HydrophobicContact CB-CB 4.13Å; F37-Q161 HydrophobicContact CB-CG 4Å; F37-Q161 HydrophobicContact CD1-CB 4.05Å; F37-Q161 HydrophobicContact CG-CB 4.07Å; F37-Q161 HydrophobicContact CG-CG 4.48Å; F37-Q161 PolarHBondContact O-NE2 2.9Å; F37-Q161 VanDerWaalsContact O-NE2 3.08Å; F37-Y164 HydrophobicContact CB-CD1 4.13Å; F37-Y164 HydrophobicContact CD2-CD1 4.26Å; F37-Y164 HydrophobicContact CD2-CG 4.08Å
38G88.3Confident75.7Confident4 Ų480.4 Ų80.44%0.04142%0.418CS..  trans107.8149-176.500000111.4G34 Y164G34-G38 CarbonylContact O-C 3.34Å; G34-G38 VanDerWaalsContact O-CA 3.24Å; G34-G38 WeakPolarHBondContact O-CA 3.09Å; G34-G38 PolarHBondContact O-N 3.37Å; G38-Y164 WeakPolarHBondContact O-CE1 3.49Å
39S80.4Confident73.3Confident60 Ų6086.6 Ų86.642%0.4244%0.44SS..EExtended strand (participates in β ladder)trans-80.6137.2-177.6-63.80000111.6I53S39-I53 PolarHBondContact O-N 3.16Å
40I74.3Confident71.5Confident30 Ų3082.7 Ų82.715%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-97.9129.3173.6-54.9162.9000107.8E50 F52 Y164 I165 A168I40-E50 HydrophobicContact CG2-CB 4.05Å; I40-E50 HydrophobicContact CG2-CG 4.05Å; I40-F52 HydrophobicContact CG1-CD1 4.49Å; I40-F52 HydrophobicContact CG1-CE1 4Å; I40-F52 HydrophobicContact CG1-CZ 4.34Å; I40-Y164 HydrophobicContact CD1-CD1 3.95Å; I40-Y164 HydrophobicContact CD1-CE1 3.43Å; I40-Y164 VanDerWaalsContact CD1-CE1 3.43Å; I40-Y164 HydrophobicContact CG1-CE1 3.84Å; I40-I165 HydrophobicContact CD1-CB 3.96Å; I40-I165 HydrophobicContact CD1-CG1 3.61Å; I40-I165 HydrophobicContact CD1-CG2 4.2Å; I40-I165 HydrophobicContact CG1-CG1 4.48Å; I40-A168 HydrophobicContact CD1-CB 3.96Å
41R68.1Low69.6Low173 Ų17387 Ų8765%0.65345%0.446SS*.EExtended strand (participates in β ladder)trans-109.5142161.7-83.2-158.5-170.6-139.43.7110.4D43 I53R41-D43 PolarHBondContact O-N 2.84Å; R41-I53 HydrophobicContact CB-CD1 4.27Å; R41-I53 HydrophobicContact CG-CD1 3.64Å
42P60Low68Low52 Ų5284.7 Ų84.734%0.33843%0.433SS..  trans-63.4122.3165.825.1-30.2000109.2H44P42-H44 PolarHBondContact O-N 3.03Å
43D57.9Low66.5Low53 Ų5384.1 Ų84.128%0.28343%0.432SS..  trans-81.3109.2166.8-168.6-15.4000108.5R41 R45 N51R41-D43 PolarHBondContact O-N 2.84Å; D43-R45 VanDerWaalsContact C-N 3.29Å; D43-R45 WeakPolarHBondContact OD1-CB 3.36Å; D43-R45 PolarHBondContact OD1-N 3.01Å; D43-N51 PolarHBondContact OD2-ND2 2.6Å
44H55.2Low65.4Low164 Ų16484.8 Ų84.876%0.75945%0.447SS*.  trans-79.3-7.9179.8-67.7-69.8000113.5P42P42-H44 PolarHBondContact O-N 3.03Å
45R49.7Very low64.9Low223 Ų22389.4 Ų89.484%0.84247%0.471SS*.SBendtrans-81.9-30.4-167.4-68-175-179.9-1760.8114.9D43D43-R45 VanDerWaalsContact C-N 3.29Å; D43-R45 WeakPolarHBondContact OD1-CB 3.36Å; D43-R45 PolarHBondContact OD1-N 3.01Å
46N39.5Very low64.8Low142 Ų14284 Ų8476%0.75944%0.444SS*.SBendtrans-131.811.5-170.4-80.6-17.8000116G48N46-G48 PolarHBondContact O-N 3.18Å
47G45Very low64.8Low88 Ų8886.9 Ų86.991%0.90746%0.455SS*.SBendtrans57.614.6-177.500000113.9
48G41.3Very low64.9Low33 Ų3387.2 Ų87.234%0.3446%0.459SS..SBendtrans-154.3132.5-168.400000110.7N46N46-G48 PolarHBondContact O-N 3.18Å
49F43.6Very low65.2Low192 Ų19288.1 Ų88.184%0.84246%0.462SS*.  trans50.8133.5167.2-59.9-81.7000119.9
50E57.1Low65.8Low48 Ų4888.1 Ų88.122%0.22446%0.459CS..PPolyproline II helixtrans-91.6135.3-166.8-61.9159.6139.200111.5I40 K169I40-E50 HydrophobicContact CG2-CB 4.05Å; I40-E50 HydrophobicContact CG2-CG 4.05Å; E50-K169 WeakPolarHBondContact OE1-CE 3.12Å; E50-K169 IonicContact OE1-NZ 3.34Å; E50-K169 WeakPolarHBondContact OE2-CE 3.37Å; E50-K169 IonicContact OE2-NZ 2.91Å; E50-K169 PolarHBondContact OE2-NZ 3.21Å
51N52.1Low66.8Low109 Ų10991.8 Ų91.858%0.58348%0.475SS*.EExtended strand (participates in β ladder)trans-89.2116.2169.3-67.6-52.1000108.9D43 I53D43-N51 PolarHBondContact OD2-ND2 2.6Å; N51-I53 PolarHBondContact O-N 2.72Å
52F58.8Low68.2Low78 Ų7883.8 Ų83.834%0.34245%0.446SS..EExtended strand (participates in β ladder)trans-61.7128.7166.4-84.6-89.3000109.5I40 G54 Q161 I165I40-F52 HydrophobicContact CG1-CD1 4.49Å; I40-F52 HydrophobicContact CG1-CE1 4Å; I40-F52 HydrophobicContact CG1-CZ 4.34Å; F52-G54 PolarHBondContact O-N 2.94Å; F52-Q161 HydrophobicContact CE1-CG 4.22Å; F52-Q161 HydrophobicContact CZ-CG 4.03Å; F52-I165 HydrophobicContact CE2-CD1 4.04Å; F52-I165 HydrophobicContact CZ-CD1 3.55Å; F52-I165 HydrophobicContact CZ-CG1 3.76Å
53I61.1Low69.8Low100 Ų10087.2 Ų87.251%0.51346%0.455SS..EExtended strand (participates in β ladder)trans-88.286.2169.6-55.8-178.6000107.4S39 R41 N51S39-I53 PolarHBondContact O-N 3.16Å; R41-I53 HydrophobicContact CB-CD1 4.27Å; R41-I53 HydrophobicContact CG-CD1 3.64Å; N51-I53 PolarHBondContact O-N 2.72Å
54G70.8Confident71.7Confident48 Ų4891.3 Ų91.350%0.49547%0.471SS..SBendtrans70.4162.3175.200000114.6F52F52-G54 PolarHBondContact O-N 2.94Å
55D80.6Confident73.7Confident101 Ų10187.9 Ų87.954%0.5445%0.453SS..  trans-75.7132.5175.9-68.9-26.9000110F59 V60D55-F59 HydrophobicContact CB-CB 3.97Å; D55-V60 HydrophobicContact CB-CG2 3.94Å
56G90.1Very high75.9Confident5 Ų579.6 Ų79.65%0.05243%0.427CS..  trans-65.7165.6168.500000112.1L35 R36 A58 F59 V60L35-G56 WeakPolarHBondContact O-CA 3.44Å; R36-G56 CarbonylContact O-C 3.53Å; R36-G56 VanDerWaalsContact O-C 3.28Å; R36-G56 WeakPolarHBondContact O-CA 3.43Å; G56-A58 PolarHBondContact O-N 3.27Å; G56-F59 PolarHBondContact O-N 3.02Å; G56-F59 VanDerWaalsContact O-N 3.08Å; G56-V60 PolarHBondContact O-N 2.88Å
57Y94.4Very high78.6Confident119 Ų11977 Ų7747%0.46741%0.413SS..Hα-helixtrans-56.4-32.9-171.867.7-102.2000113.1L35 R36 F59 V60 E61L35-Y57 HydrophobicContact CB-CE1 4.39Å; L35-Y57 WeakPolarHBondContact O-CD1 3.44Å; L35-Y57 PolarHBondContact O-N 3.31Å; L35-Y57 VanDerWaalsContact O-N 3.16Å; R36-Y57 HydrophobicContact CB-CD1 4.46Å; R36-Y57 HydrophobicContact CB-CE1 3.67Å; R36-Y57 WeakPolarHBondContact CD-OH 3.29Å; R36-Y57 HydrophobicContact CG-CE1 4.1Å; R36-Y57 HydrophobicContact CG-CE2 4.05Å; R36-Y57 WeakPolarHBondContact CG-OH 3.46Å; R36-Y57 PolarHBondContact O-N 3.25Å; Y57-F59 PolarHBondContact O-N 2.83Å; Y57-V60 PolarHBondContact O-N 3.4Å; Y57-E61 WeakPolarHBondContact O-CB 3.48Å; Y57-E61 WeakPolarHBondContact O-CG 3.34Å; Y57-E61 PolarHBondContact O-N 3.36Å
58A94.8Very high81.1Confident10 Ų1075.2 Ų75.28%0.08339%0.39CS..Hα-helixtrans-66.1-37.6-178.500000112.6R36 G56 L62 L157R36-A58 HydrophobicContact CG-CB 3.91Å; R36-A58 WeakPolarHBondContact O-CB 3.4Å; R36-A58 PolarHBondContact O-N 3.15Å; G56-A58 PolarHBondContact O-N 3.27Å; A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 PolarHBondContact O-N 3.3Å; A58-L157 HydrophobicContact CB-CD1 4.26Å; A58-L157 HydrophobicContact CB-CD2 3.96Å
59F94Very high83.7Confident23 Ų2374.4 Ų74.410%0.10138%0.378CS..Hα-helixtrans-76.1-35.3175.9-75.1-72.9000111.8F37 D55 G56 Y57 L62 K63 L157 K158 Q161F37-F59 HydrophobicContact CB-CE2 4.41Å; F37-F59 AromaticContact CD1-CE2 3.98Å; F37-F59 HydrophobicContact CD1-CE2 3.98Å; D55-F59 HydrophobicContact CB-CB 3.97Å; G56-F59 PolarHBondContact O-N 3.02Å; G56-F59 VanDerWaalsContact O-N 3.08Å; Y57-F59 PolarHBondContact O-N 2.83Å; F59-L62 PolarHBondContact O-N 2.95Å; F59-K63 WeakPolarHBondContact O-CB 3.5Å; F59-K63 PolarHBondContact O-N 3.4Å; F59-L157 HydrophobicContact CE1-CB 3.81Å; F59-L157 HydrophobicContact CE2-CB 4.49Å; F59-L157 HydrophobicContact CZ-CB 3.79Å; F59-K158 HydrophobicContact CE1-CG 4.19Å; F59-K158 HydrophobicContact CZ-CG 4.32Å; F59-Q161 HydrophobicContact CE2-CB 4.16Å; F59-Q161 HydrophobicContact CE2-CG 4.32Å; F59-Q161 VanDerWaalsContact CE2-NE2 3.29Å; F59-Q161 HydrophobicContact CZ-CB 4.24Å
60V94.3Very high86.2Confident59 Ų5967.5 Ų67.536%0.35835%0.35SS..Hα-helixtrans-62.2-45.6173.4174.90000111D55 G56 Y57 K63 K64D55-V60 HydrophobicContact CB-CG2 3.94Å; G56-V60 PolarHBondContact O-N 2.88Å; Y57-V60 PolarHBondContact O-N 3.4Å; V60-K63 PolarHBondContact O-N 3.08Å; V60-K64 WeakPolarHBondContact O-CG 3.43Å; V60-K64 PolarHBondContact O-N 3.45Å
61E95.7Very high88.1Confident107 Ų10767.8 Ų67.850%0.536%0.361SS..Hα-helixtrans-64.3-43.8176.2-75179.116600112Y57 K63 K64 K65Y57-E61 WeakPolarHBondContact O-CB 3.48Å; Y57-E61 WeakPolarHBondContact O-CG 3.34Å; Y57-E61 PolarHBondContact O-N 3.36Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 2.92Å; E61-K64 WeakPolarHBondContact O-CB 3.48Å; E61-K64 PolarHBondContact O-N 2.91Å; E61-K65 WeakPolarHBondContact O-CG 3.43Å; E61-K65 PolarHBondContact O-N 3.43Å
62L95.5Very high90.1Very high6 Ų666.6 Ų66.63%0.03135%0.351CS..Hα-helixtrans-60.1-43.5175.6-179.665.2000111.4A58 F59 K64 K65 V66 L150 E153 Q154 L157A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 PolarHBondContact O-N 3.3Å; F59-L62 PolarHBondContact O-N 2.95Å; L62-K64 PolarHBondContact O-N 3.3Å; L62-K65 WeakPolarHBondContact O-CB 3.47Å; L62-K65 PolarHBondContact O-N 2.96Å; L62-V66 WeakPolarHBondContact O-CG2 3.2Å; L62-V66 PolarHBondContact O-N 3.2Å; L62-L150 HydrophobicContact CD1-CB 4.49Å; L62-L150 HydrophobicContact CD1-CD2 3.84Å; L62-E153 HydrophobicContact CD1-CB 4.22Å; L62-E153 HydrophobicContact CD1-CG 4.12Å; L62-Q154 HydrophobicContact CD2-CB 3.57Å; L62-Q154 HydrophobicContact CD2-CG 3.81Å; L62-L157 HydrophobicContact CB-CD1 4.27Å; L62-L157 HydrophobicContact CD2-CD1 3.9Å
63K95.2Very high91.8Very high124 Ų12467.8 Ų67.854%0.53935%0.354SS..Hα-helixtrans-60.3-44175.9-174.8176.7179.5179.40111.5F59 V60 E61 K65 V66 D67F59-K63 WeakPolarHBondContact O-CB 3.5Å; F59-K63 PolarHBondContact O-N 3.4Å; V60-K63 PolarHBondContact O-N 3.08Å; E61-K63 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 2.92Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 2.96Å; K63-V66 PolarHBondContact O-N 2.96Å; K63-D67 WeakPolarHBondContact O-CB 3.32Å; K63-D67 VanDerWaalsContact O-CG 3.27Å; K63-D67 PolarHBondContact O-N 3.2Å
64K96.8Very high93.4Very high139 Ų13966.5 Ų66.560%0.60435%0.348SS*.Hα-helixtrans-58.3-41.7174.2-72.3175.5-179.1178.20112.4V60 E61 L62 D67 A68V60-K64 WeakPolarHBondContact O-CG 3.43Å; V60-K64 PolarHBondContact O-N 3.45Å; E61-K64 WeakPolarHBondContact O-CB 3.48Å; E61-K64 PolarHBondContact O-N 2.91Å; L62-K64 PolarHBondContact O-N 3.3Å; K64-D67 PolarHBondContact O-N 3.39Å; K64-A68 WeakPolarHBondContact O-CB 3.28Å; K64-A68 PolarHBondContact O-N 3.42Å
65K97.1Very high94.6Very high92 Ų9270 Ų7040%0.435%0.351SS..Hα-helixtrans-62.9-44.4175.7-66178-170.9175.20111.7E61 L62 K63 A68 L69 L150 E153E61-K65 WeakPolarHBondContact O-CG 3.43Å; E61-K65 PolarHBondContact O-N 3.43Å; L62-K65 WeakPolarHBondContact O-CB 3.47Å; L62-K65 PolarHBondContact O-N 2.96Å; K63-K65 VanDerWaalsContact C-N 3.32Å; K63-K65 PolarHBondContact O-N 2.96Å; K65-A68 PolarHBondContact O-N 3.35Å; K65-L69 WeakPolarHBondContact O-CB 3.31Å; K65-L69 PolarHBondContact O-N 2.99Å; K65-L150 HydrophobicContact CB-CD1 4.36Å; K65-L150 HydrophobicContact CB-CD2 3.77Å; K65-L150 HydrophobicContact CD-CD2 3.77Å; K65-L150 HydrophobicContact CG-CD2 4.46Å; K65-E153 IonicContact NZ-OE1 3.76Å; K65-E153 PolarHBondContact NZ-OE1 3.01Å; K65-E153 IonicContact NZ-OE2 3.94Å; K65-E153 PolarHBondContact NZ-OE2 2.99Å
66V96.4Very high95.2Very high49 Ų4966.4 Ų66.430%0.29733%0.333SS..Hα-helixtrans-62.9-45.2177.3171.60000111.1L62 K63 L69 N70 L150L62-V66 WeakPolarHBondContact O-CG2 3.2Å; L62-V66 PolarHBondContact O-N 3.2Å; K63-V66 PolarHBondContact O-N 2.96Å; V66-L69 PolarHBondContact O-N 2.95Å; V66-N70 WeakPolarHBondContact O-CB 3.43Å; V66-N70 PolarHBondContact O-N 3.38Å; V66-N70 PolarHBondContact O-ND2 3.47Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å; V66-L150 HydrophobicContact CG2-CB 4.41Å; V66-L150 HydrophobicContact CG2-CD1 3.92Å
67D97Very high95.3Very high87 Ų8768.3 Ų68.347%0.46535%0.348SS..Hα-helixtrans-64.8-42.2179.1-68.2-20.2000111.4K63 K64 N70 A71K63-D67 WeakPolarHBondContact O-CB 3.32Å; K63-D67 VanDerWaalsContact O-CG 3.27Å; K63-D67 PolarHBondContact O-N 3.2Å; K64-D67 PolarHBondContact O-N 3.39Å; D67-N70 PolarHBondContact O-N 3.23Å; D67-A71 WeakPolarHBondContact O-CB 3.4Å; D67-A71 PolarHBondContact O-N 3.01Å
68A96.7Very high95.3Very high50 Ų5069.2 Ų69.241%0.41335%0.351SS..Hα-helixtrans-61.9-45.8174.600000112K64 K65 N70 A71 E72K64-A68 WeakPolarHBondContact O-CB 3.28Å; K64-A68 PolarHBondContact O-N 3.42Å; K65-A68 PolarHBondContact O-N 3.35Å; A68-N70 VanDerWaalsContact C-N 3.33Å; A68-N70 PolarHBondContact O-N 2.94Å; A68-A71 PolarHBondContact O-N 3.39Å; A68-E72 PolarHBondContact O-N 2.95Å
69L96.1Very high95.2Very high16 Ų1670.1 Ų70.18%0.08436%0.358CS..Hα-helixtrans-60.9-42.2177.3-171.967000111.9K65 V66 R73 F143 E146 E147 L150K65-L69 WeakPolarHBondContact O-CB 3.31Å; K65-L69 PolarHBondContact O-N 2.99Å; V66-L69 PolarHBondContact O-N 2.95Å; L69-R73 WeakPolarHBondContact O-CB 3Å; L69-R73 PolarHBondContact O-N 3.43Å; L69-F143 HydrophobicContact CD1-CD1 3.55Å; L69-F143 HydrophobicContact CD1-CE1 4.05Å; L69-F143 HydrophobicContact CG-CD1 4.44Å; L69-E146 HydrophobicContact CD1-CB 3.92Å; L69-E146 WeakPolarHBondContact CD1-OE2 3.15Å; L69-E146 HydrophobicContact CD2-CB 3.96Å; L69-E147 HydrophobicContact CD2-CB 4.19Å; L69-L150 HydrophobicContact CB-CD1 4.39Å; L69-L150 HydrophobicContact CD2-CD1 3.68Å
70N95.7Very high95.1Very high47 Ų4771.1 Ų71.125%0.25137%0.367SS..Hα-helixtrans-64.6-41.7176.3-76.5-38.7000112V66 D67 A68 R73 D74V66-N70 WeakPolarHBondContact O-CB 3.43Å; V66-N70 PolarHBondContact O-N 3.38Å; V66-N70 PolarHBondContact O-ND2 3.47Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å; D67-N70 PolarHBondContact O-N 3.23Å; A68-N70 VanDerWaalsContact C-N 3.33Å; A68-N70 PolarHBondContact O-N 2.94Å; N70-R73 WeakPolarHBondContact O-CB 3.37Å; N70-R73 PolarHBondContact O-N 3.05Å; N70-R73 PolarHBondContact OD1-NH2 2.86Å; N70-D74 VanDerWaalsContact O-CG 3.23Å; N70-D74 PolarHBondContact O-N 3.22Å
71A96.2Very high94.9Very high55 Ų5574.5 Ų74.546%0.45538%0.378SS..Hα-helixtrans-61.9-45177.600000112.1D67 A68 D74 E75D67-A71 WeakPolarHBondContact O-CB 3.4Å; D67-A71 PolarHBondContact O-N 3.01Å; A68-A71 PolarHBondContact O-N 3.39Å; A71-D74 PolarHBondContact O-N 3.02Å; A71-E75 PolarHBondContact O-N 3.31Å
72E94.9Very high94.7Very high83 Ų8374.1 Ų74.139%0.38838%0.379SS..Hα-helixtrans-64.5-40.7175.1-71-174.6-155.100112.2A68 D74 E75 V76 R139 F143A68-E72 PolarHBondContact O-N 2.95Å; E72-D74 VanDerWaalsContact C-N 3.3Å; E72-D74 PolarHBondContact O-N 3.47Å; E72-E75 WeakPolarHBondContact O-CB 3.48Å; E72-E75 PolarHBondContact O-N 2.86Å; E72-V76 WeakPolarHBondContact O-CG2 3.34Å; E72-V76 PolarHBondContact O-N 3.13Å; E72-R139 IonicContact OE2-CZ 3.67Å; E72-R139 IonicContact OE2-NE 3.92Å; E72-R139 IonicContact OE2-NH2 2.84Å; E72-R139 PolarHBondContact OE2-NH2 3.01Å; E72-F143 HydrophobicContact CB-CE1 3.89Å; E72-F143 HydrophobicContact CB-CZ 3.89Å
73R94.6Very high94.3Very high104 Ų10474.2 Ų74.239%0.39238%0.38SS..Hα-helixtrans-58.9-44.5175.4-174.7-172.971.2-169.4-4.2111.4L69 N70 E75 V76 A77 F143L69-R73 WeakPolarHBondContact O-CB 3Å; L69-R73 PolarHBondContact O-N 3.43Å; N70-R73 WeakPolarHBondContact O-CB 3.37Å; N70-R73 PolarHBondContact O-N 3.05Å; N70-R73 PolarHBondContact OD1-NH2 2.86Å; R73-E75 VanDerWaalsContact C-N 3.32Å; R73-V76 PolarHBondContact O-N 3.28Å; R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 3.48Å; R73-F143 HydrophobicContact CB-CD2 4.16Å; R73-F143 HydrophobicContact CB-CE2 4.14Å; R73-F143 HydrophobicContact CB-CZ 4.46Å; R73-F143 HydrophobicContact CG-CD2 4.12Å; R73-F143 HydrophobicContact CG-CE2 4.41Å
74D95.3Very high93.9Very high73 Ų7375 Ų7539%0.3938%0.383SS..Hα-helixtrans-68.5-34.2179.7-67.6-9.8000111.3N70 A71 E72 A77 R78N70-D74 VanDerWaalsContact O-CG 3.23Å; N70-D74 PolarHBondContact O-N 3.22Å; A71-D74 PolarHBondContact O-N 3.02Å; E72-D74 VanDerWaalsContact C-N 3.3Å; E72-D74 PolarHBondContact O-N 3.47Å; D74-A77 PolarHBondContact O-N 3.29Å; D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.43Å; D74-R78 PolarHBondContact O-NH1 3.39Å
75E94.5Very high93.3Very high120 Ų12076 Ų7656%0.56139%0.387SS*.Hα-helixtrans-64.1-49.4172.7-174.1176.2-175.500112.3A71 E72 R73 A77 R78 A79A71-E75 PolarHBondContact O-N 3.31Å; E72-E75 WeakPolarHBondContact O-CB 3.48Å; E72-E75 PolarHBondContact O-N 2.86Å; R73-E75 VanDerWaalsContact C-N 3.32Å; E75-A77 VanDerWaalsContact C-N 3.26Å; E75-A77 PolarHBondContact O-N 2.96Å; E75-R78 WeakPolarHBondContact O-CB 3.36Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.16Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.08Å
76V93.3Very high92.6Very high26 Ų2677 Ų7716%0.15839%0.389CS..Hα-helixtrans-62.5-36.7176.3173.30000110.9E72 R73 A79 T80 F136 R139 F143E72-V76 WeakPolarHBondContact O-CG2 3.34Å; E72-V76 PolarHBondContact O-N 3.13Å; R73-V76 PolarHBondContact O-N 3.28Å; V76-A79 PolarHBondContact O-N 3.33Å; V76-T80 VanDerWaalsContact O-CB 3.29Å; V76-T80 WeakPolarHBondContact O-CB 3.49Å; V76-T80 PolarHBondContact O-N 3Å; V76-T80 PolarHBondContact O-OG1 2.92Å; V76-F136 HydrophobicContact CG1-CB 4.26Å; V76-F136 HydrophobicContact CG1-CD1 4Å; V76-F136 HydrophobicContact CG1-CG 4.33Å; V76-R139 HydrophobicContact CG2-CG 4.02Å; V76-F143 HydrophobicContact CB-CE2 3.9Å; V76-F143 HydrophobicContact CB-CZ 4.4Å; V76-F143 HydrophobicContact CG1-CE2 4.29Å; V76-F143 HydrophobicContact CG2-CE2 3.78Å; V76-F143 HydrophobicContact CG2-CZ 3.83Å
77A93.4Very high91.9Very high45 Ų4578.9 Ų78.937%0.37239%0.393SS..Hα-helixtrans-63.2-43.9174.500000111.9R73 D74 E75 T80 Q81R73-A77 WeakPolarHBondContact O-CB 3.46Å; R73-A77 PolarHBondContact O-N 3.48Å; D74-A77 PolarHBondContact O-N 3.29Å; E75-A77 VanDerWaalsContact C-N 3.26Å; E75-A77 PolarHBondContact O-N 2.96Å; A77-T80 PolarHBondContact O-N 3.1Å; A77-Q81 WeakPolarHBondContact O-CG 3.33Å; A77-Q81 PolarHBondContact O-N 2.83Å
78R94.2Very high91Very high138 Ų13875.6 Ų75.652%0.52138%0.376SS..Hα-helixtrans-62.4-46.7173.5-73.2-174.5-61.8-90.33.3111.6D74 E75 T80 Q81 L82D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.43Å; D74-R78 PolarHBondContact O-NH1 3.39Å; E75-R78 WeakPolarHBondContact O-CB 3.36Å; E75-R78 PolarHBondContact O-N 3.45Å; E75-R78 VanDerWaalsContact O-N 3.16Å; R78-T80 VanDerWaalsContact C-N 3.32Å; R78-T80 PolarHBondContact O-N 3.43Å; R78-Q81 WeakPolarHBondContact O-CB 3.37Å; R78-Q81 PolarHBondContact O-N 3.36Å; R78-Q81 VanDerWaalsContact O-N 3.16Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.37Å
79A92Very high89.6Confident30 Ų3080 Ų8025%0.24839%0.39CS..Hα-helixtrans-61.6-40.117800000111.8E75 V76 Q81 L82 L83 F136E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.08Å; V76-A79 PolarHBondContact O-N 3.33Å; A79-Q81 PolarHBondContact O-N 3.39Å; A79-L82 PolarHBondContact O-N 3.19Å; A79-L83 WeakPolarHBondContact O-CB 3.41Å; A79-L83 PolarHBondContact O-N 2.86Å; A79-F136 HydrophobicContact CB-CE1 4.02Å; A79-F136 HydrophobicContact CB-CE2 4.13Å; A79-F136 HydrophobicContact CB-CZ 3.59Å
80T92.1Very high88.2Confident44 Ų4483 Ų8327%0.2743%0.425SS..Hα-helixtrans-63.5-40.1174.6-58.50000111.7V76 A77 R78 L83 K84V76-T80 VanDerWaalsContact O-CB 3.29Å; V76-T80 WeakPolarHBondContact O-CB 3.49Å; V76-T80 PolarHBondContact O-N 3Å; V76-T80 PolarHBondContact O-OG1 2.92Å; A77-T80 PolarHBondContact O-N 3.1Å; R78-T80 VanDerWaalsContact C-N 3.32Å; R78-T80 PolarHBondContact O-N 3.43Å; T80-L83 PolarHBondContact O-N 2.91Å; T80-K84 WeakPolarHBondContact O-CG 3.46Å; T80-K84 PolarHBondContact O-N 3.39Å; T80-K84 VanDerWaalsContact O-N 3.17Å
81Q91.1Very high86Confident129 Ų12982.5 Ų82.560%0.60342%0.422SS*.Hα-helixtrans-65.7-38.8174.5-72.7-178.68.200112.2A77 R78 A79 K84A77-Q81 WeakPolarHBondContact O-CG 3.33Å; A77-Q81 PolarHBondContact O-N 2.83Å; R78-Q81 WeakPolarHBondContact O-CB 3.37Å; R78-Q81 PolarHBondContact O-N 3.36Å; R78-Q81 VanDerWaalsContact O-N 3.16Å; A79-Q81 PolarHBondContact O-N 3.39Å; Q81-K84 PolarHBondContact O-N 2.89Å
82L90.1Very high83.7Confident100 Ų10082.6 Ų82.652%0.52443%0.428SS..Hα-helixtrans-67.7-40175.2-69.8170.8000112R78 A79 K84 K85 R86R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.37Å; A79-L82 PolarHBondContact O-N 3.19Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.93Å; L82-K85 WeakPolarHBondContact O-CB 3.42Å; L82-K85 PolarHBondContact O-N 3.42Å; L82-R86 PolarHBondContact O-N 2.83Å
83L88Confident81.1Confident7 Ų784.9 Ų84.94%0.03745%0.448CS..Hα-helixtrans-58.4-43.1175.5179.260.7000111.3A79 T80 K85 R86 K87 L124 Y129 Q132 E133 F136A79-L83 WeakPolarHBondContact O-CB 3.41Å; A79-L83 PolarHBondContact O-N 2.86Å; T80-L83 PolarHBondContact O-N 2.91Å; L83-K85 PolarHBondContact O-N 3.29Å; L83-R86 CarbonylContact O-C 3.58Å; L83-R86 WeakPolarHBondContact O-CA 3.48Å; L83-R86 PolarHBondContact O-N 2.7Å; L83-K87 PolarHBondContact O-N 3.48Å; L83-L124 HydrophobicContact CD1-CD1 3.39Å; L83-Y129 HydrophobicContact CD1-CD2 3.5Å; L83-Y129 HydrophobicContact CD1-CE2 3.78Å; L83-Y129 HydrophobicContact CD1-CG 4.4Å; L83-Y129 HydrophobicContact CD2-CE2 4.39Å; L83-Y129 HydrophobicContact CG-CD2 3.92Å; L83-Y129 HydrophobicContact CG-CE2 3.66Å; L83-Y129 WeakPolarHBondContact O-CE2 3.44Å; L83-Q132 HydrophobicContact CD1-CB 4.1Å; L83-Q132 HydrophobicContact CD2-CB 3.86Å; L83-E133 HydrophobicContact CD2-CB 4.13Å; L83-F136 HydrophobicContact CB-CE2 4.07Å; L83-F136 HydrophobicContact CD2-CD2 3.71Å; L83-F136 HydrophobicContact CD2-CE2 3.74Å; L83-F136 HydrophobicContact CG-CE2 4.48Å
84K85.9Confident78.3Confident140 Ų14086 Ų8661%0.60947%0.471SS*.Hα-helixtrans-57.5-31.3175.1-72.3175.8-178.5-178.40113.3T80 Q81 L82 R86T80-K84 WeakPolarHBondContact O-CG 3.46Å; T80-K84 PolarHBondContact O-N 3.39Å; T80-K84 VanDerWaalsContact O-N 3.17Å; Q81-K84 PolarHBondContact O-N 2.89Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.93Å; K84-R86 VanDerWaalsContact C-N 3.35Å
85K85.3Confident75.3Confident160 Ų16091.5 Ų91.570%0.69649%0.492SS*.Hα-helixtrans-77.1-20.5176-62.1-179.3-179.7-178.10113L82 L83L82-K85 WeakPolarHBondContact O-CB 3.42Å; L82-K85 PolarHBondContact O-N 3.42Å; L83-K85 PolarHBondContact O-N 3.29Å
86R81.7Confident72.1Confident114 Ų11495 Ų9543%0.4351%0.505SS..THydrogen-bonded Turntrans-98.216.2179-64.4-177.8175.5-169.2-7.1113.4L82 L83 K84 T122 L123 L124L82-R86 PolarHBondContact O-N 2.83Å; L83-R86 CarbonylContact O-C 3.58Å; L83-R86 WeakPolarHBondContact O-CA 3.48Å; L83-R86 PolarHBondContact O-N 2.7Å; K84-R86 VanDerWaalsContact C-N 3.35Å; R86-T122 HydrophobicContact CG-CG2 4.39Å; R86-L123 WeakPolarHBondContact O-CD2 3.16Å; R86-L124 HydrophobicContact CB-CD1 4.28Å
87K81.5Confident69Low89 Ų89100.4 Ų100.439%0.38754%0.539SS..PPolyproline II helixtrans-61.9126.7-177.1-167.3178.7-160.3-172.30110.4L83 M89 L91 L123 Y129L83-K87 PolarHBondContact O-N 3.48Å; K87-M89 PolarHBondContact O-N 3.18Å; K87-L91 HydrophobicContact CD-CB 4.41Å; K87-L91 WeakPolarHBondContact CE-O 3.48Å; K87-L91 HydrophobicContact CG-CB 4.5Å; K87-L91 PolarHBondContact NZ-O 2.89Å; K87-L123 WeakPolarHBondContact O-CD2 3.41Å; K87-Y129 HydrophobicContact CB-CE2 3.95Å; K87-Y129 HydrophobicContact CG-CD2 4.49Å; K87-Y129 HydrophobicContact CG-CE1 4.43Å; K87-Y129 HydrophobicContact CG-CE2 3.96Å
88P78.4Confident66Low18 Ų18103.4 Ų103.412%0.11756%0.563CS.*PPolyproline II helixtrans-59138.9177.75-9.7000111.5G90 L124 Q126 Y129P88-G90 PolarHBondContact O-N 3.06Å; P88-L124 WeakPolarHBondContact CB-O 3.38Å; P88-L124 WeakPolarHBondContact CG-O 3.36Å; P88-Q126 HydrophobicContact CG-CB 4.44Å; P88-Y129 HydrophobicContact CG-CG 4.41Å
89M67.6Low63Low143 Ų143101.7 Ų101.770%0.70457%0.572SS**THydrogen-bonded Turntrans-58.8122.3174.1-71.5-174.5-7900109.2K87 L120 L123K87-M89 PolarHBondContact O-N 3.18Å; M89-L120 HydrophobicContact CE-CD2 4.49Å; M89-L120 HydrophobicContact CE-CG 4.48Å; M89-L123 HydrophobicContact CE-CD1 4.02Å; M89-L123 HydrophobicContact CG-CD1 4.44Å
90G65.8Low60Low78 Ų78105.2 Ų105.280%0.80460%0.595SS**THydrogen-bonded Turntrans127.4-21-179.800000115.1P88 G92P88-G90 PolarHBondContact O-N 3.06Å; G90-G92 PolarHBondContact O-N 3.08Å
91L51.1Low57.3Low37 Ų37111.4 Ų111.419%0.19462%0.621CS.*  trans-93.368.5173.8-80.666.8000110.3K87 Q126 Y129 Y130K87-L91 HydrophobicContact CD-CB 4.41Å; K87-L91 WeakPolarHBondContact CE-O 3.48Å; K87-L91 HydrophobicContact CG-CB 4.5Å; K87-L91 PolarHBondContact NZ-O 2.89Å; L91-Q126 HydrophobicContact CD1-CG 3.98Å; L91-Y129 HydrophobicContact CD2-CD1 4.41Å; L91-Y130 HydrophobicContact CD2-CE1 3.73Å; L91-Y130 HydrophobicContact CD2-CE2 4.13Å; L91-Y130 VanDerWaalsContact CD2-CZ 3.4Å; L91-Y130 WeakPolarHBondContact CD2-OH 3.46Å
92G46.9Very low54.4Low57 Ų57112.3 Ų112.359%0.58864%0.635SS**SBendtrans-167.987.3-176.700000114.6G90G90-G92 PolarHBondContact O-N 3.08Å
93T40.9Very low51.6Low130 Ų130112 Ų11280%0.79865%0.647SS**  trans65.997.715261.30000119.5K95T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 PolarHBondContact O-N 3.45Å
94S36Very low48.9Very low127 Ų127120.8 Ų120.889%0.88869%0.685SS**  trans-52.295.7136-61.70000109.4
95K30.9Very low46.4Very low189 Ų189120.4 Ų120.482%0.82270%0.697SS**  trans-176.394.1152.8-104.7169-171.7-1780110.6T93T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 PolarHBondContact O-N 3.45Å
96K28.3Very low44.2Very low195 Ų195121.4 Ų121.485%0.84870%0.704SS**SBend150.3101.5126.3-81.1-179.8-178.3-175.80108.8A98K96-A98 PolarHBondContact O-N 2.93Å
97T28Very low42.5Very low139 Ų139120.7 Ų120.785%0.85372%0.722SS**  trans2297.2149.351.80000115.7S99T97-S99 PolarHBondContact O-N 3.42Å; T97-S99 VanDerWaalsContact O-N 3.08Å
98A30.2Very low40.9Very low108 Ų108121.5 Ų121.589%0.89373%0.73SS**  trans-66.4102163.900000109.1K96K96-A98 PolarHBondContact O-N 2.93Å
99S31.3Very low39.5Very low101 Ų101124.1 Ų124.171%0.70675%0.747SS**  trans-79.1123.7152.865.80000107.4T97 H101T97-S99 PolarHBondContact O-N 3.42Å; T97-S99 VanDerWaalsContact O-N 3.08Å; S99-H101 PolarHBondContact O-N 3.28Å
100S30Very low38.9Very low104 Ų104123 Ų12373%0.72775%0.751SS**  trans-51.7112.4174.654.30000112.2
101H34.2Very low38.3Very low174 Ų174122.1 Ų122.181%0.80674%0.742SS**  trans-135.2110.6147.6-82.2-62.5000109S99 A103S99-H101 PolarHBondContact O-N 3.28Å; H101-A103 PolarHBondContact O-N 2.88Å
102T29.9Very low38.3Very low148 Ų148124.4 Ų124.491%0.90875%0.751SS**  trans-61.994.5166.947.50000109.1
103A31.7Very low38.6Very low94 Ų94127.5 Ų127.578%0.77775%0.754SS**  trans-101.7124.3163.600000108.4H101H101-A103 PolarHBondContact O-N 2.88Å
104K30.6Very low39.6Very low192 Ų192129 Ų12984%0.83575%0.75SS**  trans-55.1153175.3-73.1172.5174175.90110.7E106K104-E106 PolarHBondContact O-N 3.02Å
105P35.2Very low40.4Very low131 Ų131129.8 Ų129.885%0.85174%0.737SS**  trans-70.596.8176.229-30.9000108.9A107P105-A107 PolarHBondContact O-N 3.24Å
106E39.1Very low41.4Very low182 Ų182125.8 Ų125.885%0.8572%0.718SS**  trans-67.8126.7166.1-126.4169.3-174.100107.9K104 L108K104-E106 PolarHBondContact O-N 3.02Å; E106-L108 PolarHBondContact O-N 3.36Å; E106-L108 VanDerWaalsContact O-N 3.09Å
107A45.2Very low42.5Very low98 Ų98123 Ų12381%0.8171%0.706SS**  trans-61.3112.4-178.400000109.5P105P105-A107 PolarHBondContact O-N 3.24Å
108L47.7Very low43.8Very low106 Ų106119.3 Ų119.356%0.55569%0.686SS**  trans-59.2134.9175.9-76.3138.2000109.8E106 E112E106-L108 PolarHBondContact O-N 3.36Å; E106-L108 VanDerWaalsContact O-N 3.09Å; L108-E112 HydrophobicContact CD2-CB 4.41Å; L108-E112 WeakPolarHBondContact CD2-OE2 3.43Å
109P48.5Very low44.9Very low74 Ų74117.2 Ų117.248%0.48166%0.659SS.*  trans-62.2152.1-175.822-30.7000111.9G111 E112P109-G111 PolarHBondContact O-N 3.4Å; P109-E112 HydrophobicContact CG-CG 4.44Å; P109-E112 PolarHBondContact O-N 3.09Å
110P55.9Low45.9Very low120 Ų120117.1 Ų117.178%0.77965%0.65SS**Hα-helixtrans-55.3-22.3-169.7-25.832.7000115.9
111G51.9Low47.2Very low59 Ų59118.1 Ų118.161%0.60865%0.646SS**Hα-helixtrans-74.4-29.4176.600000114.2P109P109-G111 PolarHBondContact O-N 3.4Å
112E51.6Low48.7Very low84 Ų84112.1 Ų112.139%0.39362%0.622SS.*Hα-helixtrans-78.4-32.7179.1-72-163.6-157.300111.9L108 P109 F114 F115 Y116L108-E112 HydrophobicContact CD2-CB 4.41Å; L108-E112 WeakPolarHBondContact CD2-OE2 3.43Å; P109-E112 HydrophobicContact CG-CG 4.44Å; P109-E112 PolarHBondContact O-N 3.09Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 3.09Å; E112-F115 CarbonylContact O-C 3.58Å; E112-F115 WeakPolarHBondContact O-CA 3.45Å; E112-F115 WeakPolarHBondContact O-CB 3.27Å; E112-F115 PolarHBondContact O-N 3.19Å; E112-F115 VanDerWaalsContact O-N 3.07Å; E112-Y116 HydrophobicContact CB-CD2 4.3Å; E112-Y116 HydrophobicContact CB-CE2 4.43Å; E112-Y116 VanDerWaalsContact O-CD2 3.26Å; E112-Y116 WeakPolarHBondContact O-CD2 3.31Å; E112-Y116 PolarHBondContact O-N 3.38Å
113L54.6Low50.8Low123 Ų123107 Ų10764%0.64459%0.589SS**Hα-helixtrans-60.9-39.9177.8-170.570.1000111.9F115 Y116 F117L113-F115 VanDerWaalsContact C-N 3.34Å; L113-Y116 PolarHBondContact O-N 3.19Å; L113-F117 WeakPolarHBondContact O-CB 3.49Å; L113-F117 PolarHBondContact O-N 3.16Å
114F60.6Low53.1Low162 Ų162103.7 Ų103.771%0.71156%0.558SS**Hα-helixtrans-65.3-38.5174.4-175.6-101.8000111.8E112 S118E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 3.09Å; F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.19Å
115F54Low55.7Low143 Ų14398.2 Ų98.263%0.62754%0.54SS*.Hα-helixtrans-65.7-45.2175.3-170.7-98.5000111.8E112 L113 L119E112-F115 CarbonylContact O-C 3.58Å; E112-F115 WeakPolarHBondContact O-CA 3.45Å; E112-F115 WeakPolarHBondContact O-CB 3.27Å; E112-F115 PolarHBondContact O-N 3.19Å; E112-F115 VanDerWaalsContact O-N 3.07Å; L113-F115 VanDerWaalsContact C-N 3.34Å; F115-L119 VanDerWaalsContact O-CB 3.25Å; F115-L119 WeakPolarHBondContact O-CB 3.32Å; F115-L119 PolarHBondContact O-N 3.24Å
116Y50.2Low58.1Low105 Ų10597 Ų9741%0.41252%0.523SS..Hα-helixtrans-68.1-38.9176.1-84.5-77.4000112.7E112 L113 L119 L120E112-Y116 HydrophobicContact CB-CD2 4.3Å; E112-Y116 HydrophobicContact CB-CE2 4.43Å; E112-Y116 VanDerWaalsContact O-CD2 3.26Å; E112-Y116 WeakPolarHBondContact O-CD2 3.31Å; E112-Y116 PolarHBondContact O-N 3.38Å; L113-Y116 PolarHBondContact O-N 3.19Å; Y116-L119 CarbonylContact O-C 3.52Å; Y116-L119 PolarHBondContact O-N 3.4Å; Y116-L120 VanDerWaalsContact O-CB 3.3Å; Y116-L120 WeakPolarHBondContact O-CB 3.37Å; Y116-L120 PolarHBondContact O-N 3.25Å
117F53Low60.5Low135 Ų13595.5 Ų95.559%0.59252%0.517SS*.Hα-helixtrans-69.9-42.1178.5-160.6-101.6000111.2L113 L119 L120 I121L113-F117 WeakPolarHBondContact O-CB 3.49Å; L113-F117 PolarHBondContact O-N 3.16Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 2.82Å; F117-L120 PolarHBondContact O-N 2.94Å; F117-I121 HydrophobicContact CD1-CD1 3.59Å; F117-I121 HydrophobicContact CE1-CD1 3.39Å; F117-I121 HydrophobicContact CE1-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.48Å; F117-I121 HydrophobicContact CZ-CD1 4.14Å; F117-I121 WeakPolarHBondContact O-CB 3.5Å; F117-I121 WeakPolarHBondContact O-CG1 3.5Å; F117-I121 PolarHBondContact O-N 3.17Å
118S54.1Low62.5Low62 Ų6295.1 Ų95.143%0.43450%0.498SS..Hα-helixtrans-58.5-43.8169-176.20000110.8F114 T122F114-S118 WeakPolarHBondContact O-CB 3.43Å; F114-S118 PolarHBondContact O-N 3.19Å; S118-T122 WeakPolarHBondContact O-CB 3.46Å; S118-T122 PolarHBondContact O-N 3.01Å; S118-T122 PolarHBondContact O-OG1 2.92Å
119L52.7Low64.5Low64 Ų6490.6 Ų90.634%0.33547%0.474SS..Hα-helixtrans-66-46.3177.6-162.571.5000112.2F115 Y116 F117 I121 T122 L123F115-L119 VanDerWaalsContact O-CB 3.25Å; F115-L119 WeakPolarHBondContact O-CB 3.32Å; F115-L119 PolarHBondContact O-N 3.24Å; Y116-L119 CarbonylContact O-C 3.52Å; Y116-L119 PolarHBondContact O-N 3.4Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-L119 PolarHBondContact O-N 2.82Å; L119-I121 PolarHBondContact O-N 3.36Å; L119-T122 CarbonylContact O-C 3.53Å; L119-T122 WeakPolarHBondContact O-CA 3.41Å; L119-T122 WeakPolarHBondContact O-CB 3.36Å; L119-T122 PolarHBondContact O-N 3.44Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.27Å
120L54Low66.5Low100 Ų10092.3 Ų92.352%0.52447%0.471SS..Hα-helixtrans-62.3-37.6179.4-99.5141.5000112.9M89 Y116 F117 T122M89-L120 HydrophobicContact CE-CD2 4.49Å; M89-L120 HydrophobicContact CE-CG 4.48Å; Y116-L120 VanDerWaalsContact O-CB 3.3Å; Y116-L120 WeakPolarHBondContact O-CB 3.37Å; Y116-L120 PolarHBondContact O-N 3.25Å; F117-L120 PolarHBondContact O-N 2.94Å; L120-T122 PolarHBondContact O-N 2.97Å
121I56.4Low68.2Low125 Ų12592.1 Ų92.164%0.64146%0.46SS*.Hα-helixtrans-68.7-20172.1-70.5171.2000111.5F117 L119F117-I121 HydrophobicContact CD1-CD1 3.59Å; F117-I121 HydrophobicContact CE1-CD1 3.39Å; F117-I121 HydrophobicContact CE1-CG1 4.42Å; F117-I121 HydrophobicContact CG-CD1 4.48Å; F117-I121 HydrophobicContact CZ-CD1 4.14Å; F117-I121 WeakPolarHBondContact O-CB 3.5Å; F117-I121 WeakPolarHBondContact O-CG1 3.5Å; F117-I121 PolarHBondContact O-N 3.17Å; L119-I121 PolarHBondContact O-N 3.36Å
122T66.5Low70.1Confident48 Ų4892.6 Ų92.629%0.29445%0.446SS..Hα-helixtrans-103.6-5-177.5-42.50000113.6R86 S118 L119 L120R86-T122 HydrophobicContact CG-CG2 4.39Å; S118-T122 WeakPolarHBondContact O-CB 3.46Å; S118-T122 PolarHBondContact O-N 3.01Å; S118-T122 PolarHBondContact O-OG1 2.92Å; L119-T122 CarbonylContact O-C 3.53Å; L119-T122 WeakPolarHBondContact O-CA 3.41Å; L119-T122 WeakPolarHBondContact O-CB 3.36Å; L119-T122 PolarHBondContact O-N 3.44Å; L120-T122 PolarHBondContact O-N 2.97Å
123L74Confident72Confident41 Ų4192.8 Ų92.822%0.21545%0.447CS..PPolyproline II helixtrans-78.1127.9178.7-75.1178.3000110.1R86 K87 M89 L119R86-L123 WeakPolarHBondContact O-CD2 3.16Å; K87-L123 WeakPolarHBondContact O-CD2 3.41Å; M89-L123 HydrophobicContact CE-CD1 4.02Å; M89-L123 HydrophobicContact CG-CD1 4.44Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 3.27Å
124L78.4Confident73.9Confident23 Ų2390.2 Ų90.212%0.1243%0.432CS..PPolyproline II helixtrans-71.6150.2172.8-68.8156.2000109.6L83 R86 P88 E128 Q132L83-L124 HydrophobicContact CD1-CD1 3.39Å; R86-L124 HydrophobicContact CB-CD1 4.28Å; P88-L124 WeakPolarHBondContact CB-O 3.38Å; P88-L124 WeakPolarHBondContact CG-O 3.36Å; L124-E128 HydrophobicContact CB-CB 4.1Å; L124-E128 HydrophobicContact CD2-CB 3.85Å; L124-Q132 VanDerWaalsContact CD1-OE1 3.28Å
125T85.4Confident75.5Confident77 Ų7786.7 Ų86.747%0.47242%0.42SS..PPolyproline II helixtrans-60.3158163.665.10000109.9Q127 E128 Y129T125-Q127 PolarHBondContact O-N 3.42Å; T125-E128 WeakPolarHBondContact CB-OE2 3.43Å; T125-E128 WeakPolarHBondContact CG2-OE2 3.47Å; T125-E128 PolarHBondContact N-OE2 2.91Å; T125-E128 PolarHBondContact O-N 2.94Å; T125-E128 WeakPolarHBondContact OG1-CB 3.37Å; T125-E128 WeakPolarHBondContact OG1-CG 3.38Å; T125-E128 PolarHBondContact OG1-N 3.33Å; T125-E128 PolarHBondContact OG1-OE2 3.17Å; T125-Y129 PolarHBondContact O-N 3Å
126Q86.2Confident77.4Confident105 Ų10582 Ų8249%0.49140%0.399SS..Hα-helixtrans-55.9-39.4177.7-179.8173.92100111.9P88 L91 Y130P88-Q126 HydrophobicContact CG-CB 4.44Å; L91-Q126 HydrophobicContact CD1-CG 3.98Å; Q126-Y130 HydrophobicContact CG-CD2 3.74Å; Q126-Y130 HydrophobicContact CG-CE2 3.33Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.49Å; Q126-Y130 PolarHBondContact O-N 2.83Å; Q126-Y130 VanDerWaalsContact O-N 3.13Å
127Q88.7Confident79.5Confident152 Ų15282.4 Ų82.471%0.7140%0.4SS*.Hα-helixtrans-68-47178.9-173.6169.8-10.400111.9T125 Y129 Y130 E131T125-Q127 PolarHBondContact O-N 3.42Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.42Å; Q127-Y130 PolarHBondContact O-N 2.82Å; Q127-E131 WeakPolarHBondContact O-CB 3.5Å; Q127-E131 PolarHBondContact O-N 2.98Å
128E88.6Confident81.5Confident89 Ų8981.1 Ų81.142%0.41640%0.398SS..Hα-helixtrans-62.7-37.6176.8-69.8162.8151.800112.2L124 T125 E131 Q132L124-E128 HydrophobicContact CB-CB 4.1Å; L124-E128 HydrophobicContact CD2-CB 3.85Å; T125-E128 WeakPolarHBondContact CB-OE2 3.43Å; T125-E128 WeakPolarHBondContact CG2-OE2 3.47Å; T125-E128 PolarHBondContact N-OE2 2.91Å; T125-E128 PolarHBondContact O-N 2.94Å; T125-E128 WeakPolarHBondContact OG1-CB 3.37Å; T125-E128 WeakPolarHBondContact OG1-CG 3.38Å; T125-E128 PolarHBondContact OG1-N 3.33Å; T125-E128 PolarHBondContact OG1-OE2 3.17Å; E128-E131 PolarHBondContact O-N 3.35Å; E128-Q132 WeakPolarHBondContact O-CB 3.4Å; E128-Q132 WeakPolarHBondContact O-CG 3.24Å; E128-Q132 PolarHBondContact O-N 3.49Å
129Y89Confident83.5Confident12 Ų1281.4 Ų81.45%0.04739%0.39CS..Hα-helixtrans-61.6-49.2175.3178-89.9000111.5L83 K87 P88 L91 T125 Q127 Q132 E133L83-Y129 HydrophobicContact CD1-CD2 3.5Å; L83-Y129 HydrophobicContact CD1-CE2 3.78Å; L83-Y129 HydrophobicContact CD1-CG 4.4Å; L83-Y129 HydrophobicContact CD2-CE2 4.39Å; L83-Y129 HydrophobicContact CG-CD2 3.92Å; L83-Y129 HydrophobicContact CG-CE2 3.66Å; L83-Y129 WeakPolarHBondContact O-CE2 3.44Å; K87-Y129 HydrophobicContact CB-CE2 3.95Å; K87-Y129 HydrophobicContact CG-CD2 4.49Å; K87-Y129 HydrophobicContact CG-CE1 4.43Å; K87-Y129 HydrophobicContact CG-CE2 3.96Å; P88-Y129 HydrophobicContact CG-CG 4.41Å; L91-Y129 HydrophobicContact CD2-CD1 4.41Å; T125-Y129 PolarHBondContact O-N 3Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 3.42Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Y129-E133 WeakPolarHBondContact O-CB 3.45Å; Y129-E133 PolarHBondContact O-N 3.23Å
130Y90.5Very high85.4Confident110 Ų11085 Ų8543%0.43140%0.399SS..Hα-helixtrans-65.6-39.1179.1-73.8-50.7000112.3L91 Q126 Q127 E133 E134L91-Y130 HydrophobicContact CD2-CE1 3.73Å; L91-Y130 HydrophobicContact CD2-CE2 4.13Å; L91-Y130 VanDerWaalsContact CD2-CZ 3.4Å; L91-Y130 WeakPolarHBondContact CD2-OH 3.46Å; Q126-Y130 HydrophobicContact CG-CD2 3.74Å; Q126-Y130 HydrophobicContact CG-CE2 3.33Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.49Å; Q126-Y130 PolarHBondContact O-N 2.83Å; Q126-Y130 VanDerWaalsContact O-N 3.13Å; Q127-Y130 PolarHBondContact O-N 2.82Å; Y130-E133 PolarHBondContact O-N 2.95Å; Y130-E134 VanDerWaalsContact O-CB 3.29Å; Y130-E134 WeakPolarHBondContact O-CB 3.26Å; Y130-E134 PolarHBondContact O-N 3.13Å
131E92Very high87.3Confident116 Ų11683.6 Ų83.654%0.54239%0.392SS..Hα-helixtrans-59.6-48.6174.7-174.8-176.8150.300111.2Q127 E128 E133 E134 I135Q127-E131 WeakPolarHBondContact O-CB 3.5Å; Q127-E131 PolarHBondContact O-N 2.98Å; E128-E131 PolarHBondContact O-N 3.35Å; E131-E133 PolarHBondContact O-N 2.99Å; E131-E134 WeakPolarHBondContact O-CB 3.39Å; E131-E134 PolarHBondContact O-N 3.37Å; E131-I135 HydrophobicContact CG-CD1 4.14Å; E131-I135 VanDerWaalsContact O-CG1 3.27Å; E131-I135 WeakPolarHBondContact O-CG1 2.96Å; E131-I135 PolarHBondContact O-N 3.27Å
132Q91.6Very high89.2Confident68 Ų6881.2 Ų81.232%0.31838%0.378SS..Hα-helixtrans-65.8-38.9177.2-71.2-175.98.800112.6L83 L124 E128 Y129 E134 I135 F136L83-Q132 HydrophobicContact CD1-CB 4.1Å; L83-Q132 HydrophobicContact CD2-CB 3.86Å; L124-Q132 VanDerWaalsContact CD1-OE1 3.28Å; E128-Q132 WeakPolarHBondContact O-CB 3.4Å; E128-Q132 WeakPolarHBondContact O-CG 3.24Å; E128-Q132 PolarHBondContact O-N 3.49Å; Y129-Q132 PolarHBondContact O-N 3.37Å; Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.38Å; Q132-I135 PolarHBondContact O-N 2.97Å; Q132-F136 WeakPolarHBondContact O-CD2 3.44Å; Q132-F136 WeakPolarHBondContact O-CG 3.13Å; Q132-F136 PolarHBondContact O-N 3.45Å
133E92.2Very high90.6Very high88 Ų8879.4 Ų79.441%0.41137%0.366SS..Hα-helixtrans-61.9-42.1175.2-176.8173.5-144.900111.3L83 Y129 Y130 E131 F136 R137L83-E133 HydrophobicContact CD2-CB 4.13Å; Y129-E133 WeakPolarHBondContact O-CB 3.45Å; Y129-E133 PolarHBondContact O-N 3.23Å; Y130-E133 PolarHBondContact O-N 2.95Å; E131-E133 PolarHBondContact O-N 2.99Å; E133-F136 PolarHBondContact O-N 3.46Å; E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 2.91Å
134E94.3Very high91.5Very high69 Ų6983 Ų8332%0.32238%0.38SS..Hα-helixtrans-62.4-47.2175.7-171.963.3-14700111.5Y130 E131 Q132 F136 R137 L138Y130-E134 VanDerWaalsContact O-CB 3.29Å; Y130-E134 WeakPolarHBondContact O-CB 3.26Å; Y130-E134 PolarHBondContact O-N 3.13Å; E131-E134 WeakPolarHBondContact O-CB 3.39Å; E131-E134 PolarHBondContact O-N 3.37Å; Q132-E134 VanDerWaalsContact C-N 3.33Å; Q132-E134 PolarHBondContact O-N 3.38Å; E134-F136 PolarHBondContact O-N 2.92Å; E134-R137 WeakPolarHBondContact O-CB 3.21Å; E134-R137 PolarHBondContact O-N 3.49Å; E134-R137 IonicContact OE1-CZ 3.26Å; E134-R137 IonicContact OE1-NE 3.74Å; E134-R137 IonicContact OE1-NH1 3.7Å; E134-R137 IonicContact OE1-NH2 3.61Å; E134-R137 PolarHBondContact OE1-NH2 3.13Å; E134-R137 IonicContact OE2-CZ 3.77Å; E134-R137 IonicContact OE2-NE 3.82Å; E134-R137 IonicContact OE2-NH1 2.79Å; E134-R137 PolarHBondContact OE2-NH1 3.19Å; E134-R137 IonicContact OE2-NH2 2.65Å; E134-R137 PolarHBondContact OE2-NH2 3.33Å; E134-L138 HydrophobicContact CG-CD1 4.35Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 3.33Å
135I93.9Very high92.4Very high89 Ų8987.8 Ų87.846%0.45640%0.4SS..Hα-helixtrans-57.7-48.4177-69.9165000110.8E131 Q132 R137 L138 R139E131-I135 HydrophobicContact CG-CD1 4.14Å; E131-I135 VanDerWaalsContact O-CG1 3.27Å; E131-I135 WeakPolarHBondContact O-CG1 2.96Å; E131-I135 PolarHBondContact O-N 3.27Å; Q132-I135 PolarHBondContact O-N 2.97Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.08Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-R139 PolarHBondContact O-N 2.96Å
136F94Very high92.9Very high43 Ų4386.5 Ų86.519%0.18939%0.389CS..Hα-helixtrans-66.9-34.7178.8-64.7-29.6000112.6V76 A79 L83 Q132 E133 E134 R140V76-F136 HydrophobicContact CG1-CB 4.26Å; V76-F136 HydrophobicContact CG1-CD1 4Å; V76-F136 HydrophobicContact CG1-CG 4.33Å; A79-F136 HydrophobicContact CB-CE1 4.02Å; A79-F136 HydrophobicContact CB-CE2 4.13Å; A79-F136 HydrophobicContact CB-CZ 3.59Å; L83-F136 HydrophobicContact CB-CE2 4.07Å; L83-F136 HydrophobicContact CD2-CD2 3.71Å; L83-F136 HydrophobicContact CD2-CE2 3.74Å; L83-F136 HydrophobicContact CG-CE2 4.48Å; Q132-F136 WeakPolarHBondContact O-CD2 3.44Å; Q132-F136 WeakPolarHBondContact O-CG 3.13Å; Q132-F136 PolarHBondContact O-N 3.45Å; E133-F136 PolarHBondContact O-N 3.46Å; E134-F136 PolarHBondContact O-N 2.92Å; F136-R140 WeakPolarHBondContact O-CB 3.4Å; F136-R140 PolarHBondContact O-N 2.85Å
137R94.1Very high93.4Very high115 Ų11585.8 Ų85.843%0.43439%0.385SS..Hα-helixtrans-61.8-50.3174-172.717778.4-148.214111E133 E134 I135 R139 R140 D141E133-R137 WeakPolarHBondContact O-CB 3.26Å; E133-R137 PolarHBondContact O-N 2.91Å; E134-R137 WeakPolarHBondContact O-CB 3.21Å; E134-R137 PolarHBondContact O-N 3.49Å; E134-R137 IonicContact OE1-CZ 3.26Å; E134-R137 IonicContact OE1-NE 3.74Å; E134-R137 IonicContact OE1-NH1 3.7Å; E134-R137 IonicContact OE1-NH2 3.61Å; E134-R137 PolarHBondContact OE1-NH2 3.13Å; E134-R137 IonicContact OE2-CZ 3.77Å; E134-R137 IonicContact OE2-NE 3.82Å; E134-R137 IonicContact OE2-NH1 2.79Å; E134-R137 PolarHBondContact OE2-NH1 3.19Å; E134-R137 IonicContact OE2-NH2 2.65Å; E134-R137 PolarHBondContact OE2-NH2 3.33Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.08Å; R137-R139 PolarHBondContact O-N 3.46Å; R137-R140 PolarHBondContact O-N 2.94Å; R137-D141 PolarHBondContact O-N 3.21Å; R137-D141 VanDerWaalsContact O-N 3.15Å
138L95.1Very high93.7Very high107 Ų10780.8 Ų80.856%0.5637%0.37SS*.Hα-helixtrans-61.1-43.7178.2-70.9173.2000111.7E134 I135 R140 D141 Q142E134-L138 HydrophobicContact CG-CD1 4.35Å; E134-L138 WeakPolarHBondContact O-CG 3.46Å; E134-L138 PolarHBondContact O-N 3.33Å; I135-L138 PolarHBondContact O-N 2.98Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.97Å; L138-D141 PolarHBondContact O-N 3.42Å; L138-Q142 WeakPolarHBondContact O-CB 3.46Å; L138-Q142 PolarHBondContact O-N 3.17Å
139R95Very high94Very high69 Ų6980.6 Ų80.626%0.2637%0.372SS..Hα-helixtrans-63.5-37.7177.9-169.764-175.7140.60.8112.1E72 V76 I135 R137 Q142 F143 E146E72-R139 IonicContact OE2-CZ 3.67Å; E72-R139 IonicContact OE2-NE 3.92Å; E72-R139 IonicContact OE2-NH2 2.84Å; E72-R139 PolarHBondContact OE2-NH2 3.01Å; V76-R139 HydrophobicContact CG2-CG 4.02Å; I135-R139 PolarHBondContact O-N 2.96Å; R137-R139 PolarHBondContact O-N 3.46Å; R139-Q142 VanDerWaalsContact NH1-CG 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.41Å; R139-Q142 PolarHBondContact O-N 3.03Å; R139-F143 HydrophobicContact CG-CD2 4.31Å; R139-F143 HydrophobicContact CG-CE1 4.12Å; R139-F143 HydrophobicContact CG-CE2 3.66Å; R139-F143 HydrophobicContact CG-CZ 3.56Å; R139-F143 VanDerWaalsContact CZ-CE1 3.41Å; R139-F143 VanDerWaalsContact NE-CE1 3.32Å; R139-F143 VanDerWaalsContact O-CD2 3.28Å; R139-F143 WeakPolarHBondContact O-CD2 3.36Å; R139-F143 VanDerWaalsContact O-CG 3.31Å; R139-F143 WeakPolarHBondContact O-CG 3.18Å; R139-F143 PolarHBondContact O-N 3.07Å; R139-E146 IonicContact CZ-OE1 3.2Å; R139-E146 IonicContact NH1-OE1 3.66Å; R139-E146 PolarHBondContact NH1-OE1 2.84Å; R139-E146 IonicContact NH1-OE2 3.76Å; R139-E146 IonicContact NH2-OE1 2.73Å; R139-E146 IonicContact NH2-OE2 3.91Å
140R93.2Very high94.4Very high139 Ų13981.2 Ų81.253%0.52538%0.376SS..Hα-helixtrans-63.1-41.5175.3-175.4-176.863.6-171-3.9112.7F136 R137 L138 Q142 F143 K144F136-R140 WeakPolarHBondContact O-CB 3.4Å; F136-R140 PolarHBondContact O-N 2.85Å; R137-R140 PolarHBondContact O-N 2.94Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.97Å; R140-Q142 VanDerWaalsContact C-N 3.33Å; R140-F143 PolarHBondContact O-N 2.78Å; R140-K144 PolarHBondContact O-N 2.99Å
141D94.7Very high94.6Very high71 Ų7180.5 Ų80.538%0.3838%0.379SS..Hα-helixtrans-71.5-33.4177.7-68.5-29.5000111.5R137 L138 K144 K145R137-D141 PolarHBondContact O-N 3.21Å; R137-D141 VanDerWaalsContact O-N 3.15Å; L138-D141 PolarHBondContact O-N 3.42Å; D141-K144 PolarHBondContact O-N 3.41Å; D141-K144 IonicContact OD1-NZ 2.95Å; D141-K144 PolarHBondContact OD1-NZ 3.26Å; D141-K145 PolarHBondContact O-N 3.5Å
142Q95.4Very high94.7Very high75 Ų7579.9 Ų79.935%0.3538%0.379SS..Hα-helixtrans-63.5-41.3170.6-178.460.526.900112.2L138 R139 R140 K144 K145 E146L138-Q142 WeakPolarHBondContact O-CB 3.46Å; L138-Q142 PolarHBondContact O-N 3.17Å; R139-Q142 VanDerWaalsContact NH1-CG 3.31Å; R139-Q142 WeakPolarHBondContact O-CB 3.41Å; R139-Q142 PolarHBondContact O-N 3.03Å; R140-Q142 VanDerWaalsContact C-N 3.33Å; Q142-K144 VanDerWaalsContact C-N 3.31Å; Q142-K144 PolarHBondContact O-N 3.04Å; Q142-K145 WeakPolarHBondContact O-CB 3.5Å; Q142-K145 PolarHBondContact O-N 2.77Å; Q142-K145 VanDerWaalsContact O-N 3.08Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.49Å; Q142-E146 PolarHBondContact NE2-OE1 2.85Å; Q142-E146 PolarHBondContact O-N 2.9Å
143F95.5Very high94.8Very high9 Ų979.1 Ų79.14%0.03938%0.375CS..Hα-helixtrans-59.1-39.7174.5-68.2-41.7000112.7L69 E72 R73 V76 R139 R140 K145 E146 E147L69-F143 HydrophobicContact CD1-CD1 3.55Å; L69-F143 HydrophobicContact CD1-CE1 4.05Å; L69-F143 HydrophobicContact CG-CD1 4.44Å; E72-F143 HydrophobicContact CB-CE1 3.89Å; E72-F143 HydrophobicContact CB-CZ 3.89Å; R73-F143 HydrophobicContact CB-CD2 4.16Å; R73-F143 HydrophobicContact CB-CE2 4.14Å; R73-F143 HydrophobicContact CB-CZ 4.46Å; R73-F143 HydrophobicContact CG-CD2 4.12Å; R73-F143 HydrophobicContact CG-CE2 4.41Å; V76-F143 HydrophobicContact CB-CE2 3.9Å; V76-F143 HydrophobicContact CB-CZ 4.4Å; V76-F143 HydrophobicContact CG1-CE2 4.29Å; V76-F143 HydrophobicContact CG2-CE2 3.78Å; V76-F143 HydrophobicContact CG2-CZ 3.83Å; R139-F143 HydrophobicContact CG-CD2 4.31Å; R139-F143 HydrophobicContact CG-CE1 4.12Å; R139-F143 HydrophobicContact CG-CE2 3.66Å; R139-F143 HydrophobicContact CG-CZ 3.56Å; R139-F143 VanDerWaalsContact CZ-CE1 3.41Å; R139-F143 VanDerWaalsContact NE-CE1 3.32Å; R139-F143 VanDerWaalsContact O-CD2 3.28Å; R139-F143 WeakPolarHBondContact O-CD2 3.36Å; R139-F143 VanDerWaalsContact O-CG 3.31Å; R139-F143 WeakPolarHBondContact O-CG 3.18Å; R139-F143 PolarHBondContact O-N 3.07Å; R140-F143 PolarHBondContact O-N 2.78Å; F143-K145 VanDerWaalsContact C-N 3.27Å; F143-K145 PolarHBondContact O-N 2.89Å; F143-E146 PolarHBondContact O-N 3.32Å; F143-E147 VanDerWaalsContact O-CB 3.27Å; F143-E147 WeakPolarHBondContact O-CB 3.28Å; F143-E147 PolarHBondContact O-N 3.25Å
144K94.7Very high94.9Very high117 Ų11778.1 Ų78.151%0.50937%0.371SS..Hα-helixtrans-61.9-37.2175.7-67.3172.9-174.3159.40111.9R140 D141 Q142 A148R140-K144 PolarHBondContact O-N 2.99Å; D141-K144 PolarHBondContact O-N 3.41Å; D141-K144 IonicContact OD1-NZ 2.95Å; D141-K144 PolarHBondContact OD1-NZ 3.26Å; Q142-K144 VanDerWaalsContact C-N 3.31Å; Q142-K144 PolarHBondContact O-N 3.04Å; K144-A148 WeakPolarHBondContact O-CB 3.29Å; K144-A148 PolarHBondContact O-N 2.93Å; K144-A148 VanDerWaalsContact O-N 3.1Å
145K95.6Very high94.8Very high124 Ų12478.7 Ų78.754%0.53937%0.373SS..Hα-helixtrans-68.3-48.9176.5-174.6-176.8174.7-173.90110.9D141 Q142 F143 E147 A148 D149D141-K145 PolarHBondContact O-N 3.5Å; Q142-K145 WeakPolarHBondContact O-CB 3.5Å; Q142-K145 PolarHBondContact O-N 2.77Å; Q142-K145 VanDerWaalsContact O-N 3.08Å; F143-K145 VanDerWaalsContact C-N 3.27Å; F143-K145 PolarHBondContact O-N 2.89Å; K145-E147 VanDerWaalsContact C-N 3.33Å; K145-E147 PolarHBondContact O-N 3.14Å; K145-A148 WeakPolarHBondContact O-CB 3.25Å; K145-A148 PolarHBondContact O-N 2.73Å; K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 2.94Å
146E96.6Very high94.8Very high49 Ų4979.4 Ų79.423%0.22937%0.37CS..Hα-helixtrans-61.4-39.8177.8-70.9171.6-15800111.8L69 R139 Q142 F143 D149 L150L69-E146 HydrophobicContact CD1-CB 3.92Å; L69-E146 WeakPolarHBondContact CD1-OE2 3.15Å; L69-E146 HydrophobicContact CD2-CB 3.96Å; R139-E146 IonicContact CZ-OE1 3.2Å; R139-E146 IonicContact NH1-OE1 3.66Å; R139-E146 PolarHBondContact NH1-OE1 2.84Å; R139-E146 IonicContact NH1-OE2 3.76Å; R139-E146 IonicContact NH2-OE1 2.73Å; R139-E146 IonicContact NH2-OE2 3.91Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.49Å; Q142-E146 PolarHBondContact NE2-OE1 2.85Å; Q142-E146 PolarHBondContact O-N 2.9Å; F143-E146 PolarHBondContact O-N 3.32Å; E146-D149 PolarHBondContact O-N 3.36Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.23Å; E146-L150 PolarHBondContact O-N 3.19Å
147E95.9Very high94.7Very high91 Ų9177.5 Ų77.543%0.42536%0.362SS..Hα-helixtrans-62.9-43.8174.4-176.8175.2-161.600111.6L69 F143 K145 D149 L150 L151L69-E147 HydrophobicContact CD2-CB 4.19Å; F143-E147 VanDerWaalsContact O-CB 3.27Å; F143-E147 WeakPolarHBondContact O-CB 3.28Å; F143-E147 PolarHBondContact O-N 3.25Å; K145-E147 VanDerWaalsContact C-N 3.33Å; K145-E147 PolarHBondContact O-N 3.14Å; E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 3.1Å; E147-L150 PolarHBondContact O-N 3.43Å; E147-L151 HydrophobicContact CG-CD1 4.46Å; E147-L151 WeakPolarHBondContact O-CB 3.36Å; E147-L151 VanDerWaalsContact O-CG 3.31Å; E147-L151 WeakPolarHBondContact O-CG 3.22Å; E147-L151 PolarHBondContact O-N 2.8Å
148A95.4Very high94.6Very high47 Ų4776.7 Ų76.739%0.38836%0.362SS..Hα-helixtrans-62.5-40.7174.800000112K144 K145 L151 L152K144-A148 WeakPolarHBondContact O-CB 3.29Å; K144-A148 PolarHBondContact O-N 2.93Å; K144-A148 VanDerWaalsContact O-N 3.1Å; K145-A148 WeakPolarHBondContact O-CB 3.25Å; K145-A148 PolarHBondContact O-N 2.73Å; A148-L151 PolarHBondContact O-N 3.26Å; A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.69Å
149D96.2Very high94.3Very high85 Ų8574.9 Ų74.946%0.45535%0.347SS..Hα-helixtrans-65.7-41.9177.5-68.7-22.8000111.5K145 E146 E147 L152 E153K145-D149 VanDerWaalsContact O-CG 3.31Å; K145-D149 PolarHBondContact O-N 2.94Å; E146-D149 PolarHBondContact O-N 3.36Å; E147-D149 VanDerWaalsContact C-N 3.34Å; E147-D149 PolarHBondContact O-N 3.1Å; D149-L152 PolarHBondContact O-N 3.1Å; D149-E153 PolarHBondContact O-N 3.43Å
150L96.4Very high94.2Very high24 Ų2473.9 Ų73.913%0.12635%0.346CS..Hα-helixtrans-65.8-36.3174.8-70176.2000112.3L62 K65 V66 L69 E146 E147 E153 Q154L62-L150 HydrophobicContact CD1-CB 4.49Å; L62-L150 HydrophobicContact CD1-CD2 3.84Å; K65-L150 HydrophobicContact CB-CD1 4.36Å; K65-L150 HydrophobicContact CB-CD2 3.77Å; K65-L150 HydrophobicContact CD-CD2 3.77Å; K65-L150 HydrophobicContact CG-CD2 4.46Å; V66-L150 HydrophobicContact CG2-CB 4.41Å; V66-L150 HydrophobicContact CG2-CD1 3.92Å; L69-L150 HydrophobicContact CB-CD1 4.39Å; L69-L150 HydrophobicContact CD2-CD1 3.68Å; E146-L150 VanDerWaalsContact O-CG 3.32Å; E146-L150 WeakPolarHBondContact O-CG 3.23Å; E146-L150 PolarHBondContact O-N 3.19Å; E147-L150 PolarHBondContact O-N 3.43Å; L150-E153 PolarHBondContact O-N 2.61Å; L150-Q154 WeakPolarHBondContact O-CB 3.33Å; L150-Q154 PolarHBondContact O-N 3.12Å
151L94.9Very high94.1Very high96 Ų9668.7 Ų68.750%0.50333%0.327SS..Hα-helixtrans-64.1-43173.2-75.1172.3000111.4E147 A148 E153 Q154 E155E147-L151 HydrophobicContact CG-CD1 4.46Å; E147-L151 WeakPolarHBondContact O-CB 3.36Å; E147-L151 VanDerWaalsContact O-CG 3.31Å; E147-L151 WeakPolarHBondContact O-CG 3.22Å; E147-L151 PolarHBondContact O-N 2.8Å; A148-L151 PolarHBondContact O-N 3.26Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-Q154 PolarHBondContact O-N 3.36Å; L151-E155 WeakPolarHBondContact O-CG 3.35Å; L151-E155 PolarHBondContact O-N 2.84Å
152L93.4Very high93.8Very high103 Ų10368.4 Ų68.454%0.53933%0.331SS..Hα-helixtrans-63.1-40.1174.3-70.3174.3000112A148 D149 E155 R156A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.69Å; D149-L152 PolarHBondContact O-N 3.1Å; L152-E155 PolarHBondContact O-N 3.14Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 PolarHBondContact O-N 2.99Å
153E94.8Very high93.6Very high51 Ų5166.2 Ų66.224%0.23832%0.321CS..Hα-helixtrans-62.1-44.3173.9-171.3174.2-168.400111L62 K65 D149 L150 L151 R156 L157L62-E153 HydrophobicContact CD1-CB 4.22Å; L62-E153 HydrophobicContact CD1-CG 4.12Å; K65-E153 IonicContact NZ-OE1 3.76Å; K65-E153 PolarHBondContact NZ-OE1 3.01Å; K65-E153 IonicContact NZ-OE2 3.94Å; K65-E153 PolarHBondContact NZ-OE2 2.99Å; D149-E153 PolarHBondContact O-N 3.43Å; L150-E153 PolarHBondContact O-N 2.61Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-R156 WeakPolarHBondContact O-CB 3.26Å; E153-R156 PolarHBondContact O-N 3.26Å; E153-L157 HydrophobicContact CG-CD1 4.4Å; E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.19Å
154Q94.3Very high93.4Very high68 Ų6866.6 Ų66.632%0.31832%0.323SS..Hα-helixtrans-61-46.5176-170.1-175.483.300112.1L62 L150 L151 R156 L157 K158L62-Q154 HydrophobicContact CD2-CB 3.57Å; L62-Q154 HydrophobicContact CD2-CG 3.81Å; L150-Q154 WeakPolarHBondContact O-CB 3.33Å; L150-Q154 PolarHBondContact O-N 3.12Å; L151-Q154 PolarHBondContact O-N 3.36Å; Q154-R156 VanDerWaalsContact C-N 3.28Å; Q154-R156 PolarHBondContact O-N 3.22Å; Q154-L157 PolarHBondContact O-N 2.89Å; Q154-K158 HydrophobicContact CG-CD 4.3Å; Q154-K158 WeakPolarHBondContact O-CB 3.39Å; Q154-K158 WeakPolarHBondContact O-CG 3.5Å; Q154-K158 PolarHBondContact O-N 3.41Å
155E92.2Very high93.1Very high81 Ų8162.3 Ų62.338%0.37931%0.305SS..Hα-helixtrans-62-36.9176.6-73.3-171163.600112L151 L152 R159 K282L151-E155 WeakPolarHBondContact O-CG 3.35Å; L151-E155 PolarHBondContact O-N 2.84Å; L152-E155 PolarHBondContact O-N 3.14Å; E155-R159 WeakPolarHBondContact O-CG 3.41Å; E155-R159 PolarHBondContact O-N 2.98Å; E155-R159 PolarHBondContact O-NE 2.91Å; E155-K282 IonicContact OE1-NZ 3Å; E155-K282 IonicContact OE2-NZ 3.01Å; E155-K282 PolarHBondContact OE2-NZ 3.06Å
156R92.6Very high92.8Very high103 Ų10361 Ų6139%0.38930%0.297SS..Hα-helixtrans-64.9-49.1174.2-173.3-17870.2109.7-11.6111.5L152 E153 Q154 K158 R159 E160L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 PolarHBondContact O-N 2.99Å; E153-R156 WeakPolarHBondContact O-CB 3.26Å; E153-R156 PolarHBondContact O-N 3.26Å; Q154-R156 VanDerWaalsContact C-N 3.28Å; Q154-R156 PolarHBondContact O-N 3.22Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 2.8Å; R156-R159 WeakPolarHBondContact O-CB 3.47Å; R156-R159 PolarHBondContact O-N 2.95Å; R156-R159 VanDerWaalsContact O-N 3.17Å; R156-E160 WeakPolarHBondContact CG-OE1 3.28Å; R156-E160 IonicContact CZ-OE1 2.99Å; R156-E160 IonicContact NE-OE1 3.92Å; R156-E160 IonicContact NH1-OE1 2.6Å; R156-E160 PolarHBondContact NH1-OE1 3.18Å; R156-E160 WeakPolarHBondContact O-CG 3.2Å; R156-E160 PolarHBondContact O-N 3.38Å
157L93.4Very high92.5Very high3 Ų361.2 Ų61.22%0.01630%0.298CS..Hα-helixtrans-61.8-40.1179-70.6175.2000112.2F37 A58 F59 L62 E153 Q154 R159 E160 Q161F37-L157 HydrophobicContact CE1-CD2 3.98Å; A58-L157 HydrophobicContact CB-CD1 4.26Å; A58-L157 HydrophobicContact CB-CD2 3.96Å; F59-L157 HydrophobicContact CE1-CB 3.81Å; F59-L157 HydrophobicContact CE2-CB 4.49Å; F59-L157 HydrophobicContact CZ-CB 3.79Å; L62-L157 HydrophobicContact CB-CD1 4.27Å; L62-L157 HydrophobicContact CD2-CD1 3.9Å; E153-L157 HydrophobicContact CG-CD1 4.4Å; E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.19Å; Q154-L157 PolarHBondContact O-N 2.89Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.94Å; L157-E160 PolarHBondContact O-N 2.83Å; L157-Q161 VanDerWaalsContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CB 3.44Å; L157-Q161 PolarHBondContact O-N 3.5Å
158K91.2Very high92.3Very high99 Ų9957.8 Ų57.843%0.4329%0.285SS..Hα-helixtrans-62.5-36.9175-75.6176.8176.7169.40112.9F59 Q154 R156 S162F59-K158 HydrophobicContact CE1-CG 4.19Å; F59-K158 HydrophobicContact CZ-CG 4.32Å; Q154-K158 HydrophobicContact CG-CD 4.3Å; Q154-K158 WeakPolarHBondContact O-CB 3.39Å; Q154-K158 WeakPolarHBondContact O-CG 3.5Å; Q154-K158 PolarHBondContact O-N 3.41Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 2.8Å; K158-S162 WeakPolarHBondContact O-CB 3.24Å; K158-S162 PolarHBondContact O-N 3.17Å; K158-S162 PolarHBondContact O-OG 2.83Å
159R89.5Confident91.9Very high68 Ų6859.6 Ų59.626%0.25728%0.284SS..Hα-helixtrans-66.7-49.7174.5-76.3179.2-70.1152.6-8.4111.4E155 R156 L157 Q161 S162 L163 K279 Q280E155-R159 WeakPolarHBondContact O-CG 3.41Å; E155-R159 PolarHBondContact O-N 2.98Å; E155-R159 PolarHBondContact O-NE 2.91Å; R156-R159 WeakPolarHBondContact O-CB 3.47Å; R156-R159 PolarHBondContact O-N 2.95Å; R156-R159 VanDerWaalsContact O-N 3.17Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-R159 PolarHBondContact O-N 2.94Å; R159-Q161 VanDerWaalsContact C-N 3.32Å; R159-Q161 PolarHBondContact O-N 3.42Å; R159-S162 WeakPolarHBondContact O-CB 3.42Å; R159-S162 PolarHBondContact O-N 3.39Å; R159-S162 VanDerWaalsContact O-N 3.1Å; R159-L163 PolarHBondContact O-N 3.44Å; R159-L163 VanDerWaalsContact O-N 3.1Å; R159-K279 WeakPolarHBondContact CD-O 3.41Å; R159-K279 WeakPolarHBondContact CG-O 3.42Å; R159-Q280 PolarHBondContact NH1-O 3.23Å
160E91.8Very high91.7Very high48 Ų4856.8 Ų56.822%0.22427%0.267CS..Hα-helixtrans-60.3-42.4177.6-65.6178.4-159.800111.2R36 F37 R156 L157 S162 L163 Y164R36-E160 IonicContact CZ-OE2 4Å; R36-E160 IonicContact NH1-OE2 3.23Å; R36-E160 PolarHBondContact NH1-OE2 2.95Å; R36-E160 IonicContact NH2-OE2 2.72Å; R36-E160 PolarHBondContact NH2-OE2 3.23Å; F37-E160 HydrophobicContact CE1-CB 3.83Å; F37-E160 HydrophobicContact CE2-CB 4.18Å; F37-E160 HydrophobicContact CZ-CB 3.39Å; F37-E160 HydrophobicContact CZ-CG 4.48Å; R156-E160 WeakPolarHBondContact CG-OE1 3.28Å; R156-E160 IonicContact CZ-OE1 2.99Å; R156-E160 IonicContact NE-OE1 3.92Å; R156-E160 IonicContact NH1-OE1 2.6Å; R156-E160 PolarHBondContact NH1-OE1 3.18Å; R156-E160 WeakPolarHBondContact O-CG 3.2Å; R156-E160 PolarHBondContact O-N 3.38Å; L157-E160 PolarHBondContact O-N 2.83Å; E160-S162 VanDerWaalsContact C-N 3.34Å; E160-S162 PolarHBondContact O-N 3.19Å; E160-L163 PolarHBondContact O-N 3.16Å; E160-Y164 PolarHBondContact O-N 3.15Å
161Q91.5Very high91.4Very high30 Ų3056.6 Ų56.614%0.1427%0.266CS..Hα-helixtrans-59.1-42.2172.8-179.4-177.560.400111.9F37 F52 F59 L157 R159 L163 Y164 I165F37-Q161 HydrophobicContact CB-CB 4.13Å; F37-Q161 HydrophobicContact CB-CG 4Å; F37-Q161 HydrophobicContact CD1-CB 4.05Å; F37-Q161 HydrophobicContact CG-CB 4.07Å; F37-Q161 HydrophobicContact CG-CG 4.48Å; F37-Q161 PolarHBondContact O-NE2 2.9Å; F37-Q161 VanDerWaalsContact O-NE2 3.08Å; F52-Q161 HydrophobicContact CE1-CG 4.22Å; F52-Q161 HydrophobicContact CZ-CG 4.03Å; F59-Q161 HydrophobicContact CE2-CB 4.16Å; F59-Q161 HydrophobicContact CE2-CG 4.32Å; F59-Q161 VanDerWaalsContact CE2-NE2 3.29Å; F59-Q161 HydrophobicContact CZ-CB 4.24Å; L157-Q161 VanDerWaalsContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CB 3.44Å; L157-Q161 PolarHBondContact O-N 3.5Å; R159-Q161 VanDerWaalsContact C-N 3.32Å; R159-Q161 PolarHBondContact O-N 3.42Å; Q161-L163 VanDerWaalsContact C-N 3.29Å; Q161-L163 PolarHBondContact O-N 3.42Å; Q161-Y164 WeakPolarHBondContact O-CB 3.29Å; Q161-Y164 PolarHBondContact O-N 3.36Å; Q161-I165 HydrophobicContact CG-CD1 4.27Å; Q161-I165 VanDerWaalsContact O-CG1 3.26Å; Q161-I165 WeakPolarHBondContact O-CG1 3.48Å; Q161-I165 PolarHBondContact O-N 2.76Å
162S88.9Confident91.1Very high65 Ų6557.3 Ų57.346%0.45527%0.267SS..Hα-helixtrans-62.8-35.9177.6-60.80000112.6K158 R159 E160 R166K158-S162 WeakPolarHBondContact O-CB 3.24Å; K158-S162 PolarHBondContact O-N 3.17Å; K158-S162 PolarHBondContact O-OG 2.83Å; R159-S162 WeakPolarHBondContact O-CB 3.42Å; R159-S162 PolarHBondContact O-N 3.39Å; R159-S162 VanDerWaalsContact O-N 3.1Å; E160-S162 VanDerWaalsContact C-N 3.34Å; E160-S162 PolarHBondContact O-N 3.19Å; S162-R166 PolarHBondContact O-N 3.46Å
163L90Very high90.8Very high29 Ų2955.4 Ų55.415%0.15226%0.257CS..Hα-helixtrans-70-41.2174.2-62.5178.9000111.5R159 E160 Q161 R166 E167 F276 K279 Q280R159-L163 PolarHBondContact O-N 3.44Å; R159-L163 VanDerWaalsContact O-N 3.1Å; E160-L163 PolarHBondContact O-N 3.16Å; Q161-L163 VanDerWaalsContact C-N 3.29Å; Q161-L163 PolarHBondContact O-N 3.42Å; L163-R166 WeakPolarHBondContact O-CB 3.18Å; L163-R166 PolarHBondContact O-N 2.89Å; L163-E167 PolarHBondContact O-N 3.47Å; L163-F276 HydrophobicContact CD1-CE1 4.37Å; L163-F276 HydrophobicContact CD1-CZ 4.11Å; L163-F276 HydrophobicContact CD2-CD2 3.91Å; L163-F276 HydrophobicContact CD2-CE1 4.31Å; L163-F276 HydrophobicContact CD2-CE2 3.61Å; L163-F276 HydrophobicContact CD2-CG 4.39Å; L163-F276 HydrophobicContact CD2-CZ 3.81Å; L163-F276 HydrophobicContact CG-CZ 4.44Å; L163-K279 HydrophobicContact CD2-CB 4.32Å; L163-Q280 HydrophobicContact CD1-CB 4.11Å; L163-Q280 HydrophobicContact CD1-CG 4.21Å
164Y91.1Very high90.5Very high18 Ų1853.5 Ų53.57%0.07125%0.248CC..Hα-helixtrans-57.9-47.4172.9162.4-111.6000111.8C30 D33 G34 F37 G38 I40 E160 Q161 R166 E167 A168C30-Y164 WeakPolarHBondContact O-CE2 3.22Å; D33-Y164 HydrophobicContact CB-CD2 3.4Å; D33-Y164 VanDerWaalsContact CB-CD2 3.4Å; D33-Y164 HydrophobicContact CB-CE2 3.97Å; D33-Y164 HydrophobicContact CB-CG 3.96Å; G34-Y164 VanDerWaalsContact CA-CZ 3.47Å; G34-Y164 VanDerWaalsContact CA-OH 3.25Å; G34-Y164 WeakPolarHBondContact CA-OH 3.41Å; F37-Y164 HydrophobicContact CB-CD1 4.13Å; F37-Y164 HydrophobicContact CD2-CD1 4.26Å; F37-Y164 HydrophobicContact CD2-CG 4.08Å; G38-Y164 WeakPolarHBondContact O-CE1 3.49Å; I40-Y164 HydrophobicContact CD1-CD1 3.95Å; I40-Y164 HydrophobicContact CD1-CE1 3.43Å; I40-Y164 VanDerWaalsContact CD1-CE1 3.43Å; I40-Y164 HydrophobicContact CG1-CE1 3.84Å; E160-Y164 PolarHBondContact O-N 3.15Å; Q161-Y164 WeakPolarHBondContact O-CB 3.29Å; Q161-Y164 PolarHBondContact O-N 3.36Å; Y164-R166 VanDerWaalsContact C-N 3.31Å; Y164-R166 PolarHBondContact O-N 3.47Å; Y164-E167 PolarHBondContact O-N 3.07Å; Y164-E167 VanDerWaalsContact O-N 3.15Å; Y164-A168 HydrophobicContact CE2-CB 4.26Å; Y164-A168 WeakPolarHBondContact O-CB 3.3Å; Y164-A168 PolarHBondContact O-N 3.27Å
165I89.4Confident90Very high27 Ų2754.3 Ų54.314%0.13825%0.252CS..Hα-helixtrans-57.4-45176.3-62.7162000111I40 F52 Q161 E167 A168 K169I40-I165 HydrophobicContact CD1-CB 3.96Å; I40-I165 HydrophobicContact CD1-CG1 3.61Å; I40-I165 HydrophobicContact CD1-CG2 4.2Å; I40-I165 HydrophobicContact CG1-CG1 4.48Å; F52-I165 HydrophobicContact CE2-CD1 4.04Å; F52-I165 HydrophobicContact CZ-CD1 3.55Å; F52-I165 HydrophobicContact CZ-CG1 3.76Å; Q161-I165 HydrophobicContact CG-CD1 4.27Å; Q161-I165 VanDerWaalsContact O-CG1 3.26Å; Q161-I165 WeakPolarHBondContact O-CG1 3.48Å; Q161-I165 PolarHBondContact O-N 2.76Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.25Å; I165-A168 PolarHBondContact O-N 2.99Å; I165-K169 HydrophobicContact CG2-CD 4.15Å; I165-K169 WeakPolarHBondContact O-CB 3.43Å; I165-K169 WeakPolarHBondContact O-CG 3.37Å; I165-K169 PolarHBondContact O-N 2.97Å
166R88.4Confident89.4Confident95 Ų9555.9 Ų55.936%0.35826%0.263SS..Hα-helixtrans-59.3-45.6177.6179.2179.7173.6171.9-3.6111S162 L163 Y164 K169 R170 D273S162-R166 PolarHBondContact O-N 3.46Å; L163-R166 WeakPolarHBondContact O-CB 3.18Å; L163-R166 PolarHBondContact O-N 2.89Å; Y164-R166 VanDerWaalsContact C-N 3.31Å; Y164-R166 PolarHBondContact O-N 3.47Å; R166-K169 PolarHBondContact O-N 3.48Å; R166-R170 PolarHBondContact O-N 3.09Å; R166-D273 IonicContact CZ-OD2 3.23Å; R166-D273 IonicContact NH1-OD1 3.02Å; R166-D273 IonicContact NH1-OD2 3.95Å; R166-D273 IonicContact NH2-OD2 2.78Å; R166-D273 PolarHBondContact NH2-OD2 2.94Å
167E91.1Very high89.3Confident55 Ų5557.1 Ų57.126%0.25728%0.277SS..Hα-helixtrans-69.4-41.1-179.5-178.158.9-168.900112.4L163 Y164 I165 K169 R170 L171L163-E167 PolarHBondContact O-N 3.47Å; Y164-E167 PolarHBondContact O-N 3.07Å; Y164-E167 VanDerWaalsContact O-N 3.15Å; I165-E167 VanDerWaalsContact C-N 3.34Å; I165-E167 PolarHBondContact O-N 3.25Å; E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 3.41Å; E167-R170 WeakPolarHBondContact O-CB 3.5Å; E167-R170 PolarHBondContact O-N 3.34Å; E167-R170 VanDerWaalsContact O-N 3.16Å; E167-R170 IonicContact OE1-CZ 2.69Å; E167-R170 IonicContact OE1-NE 2.82Å; E167-R170 PolarHBondContact OE1-NE 3.03Å; E167-R170 VanDerWaalsContact OE1-NE 3.17Å; E167-R170 IonicContact OE1-NH2 3.84Å; E167-R170 PolarHBondContact OE1-NH2 3.5Å; E167-R170 IonicContact OE2-CZ 2.83Å; E167-R170 IonicContact OE2-NE 3.8Å; E167-R170 PolarHBondContact OE2-NE 3.32Å; E167-R170 IonicContact OE2-NH2 3.56Å; E167-L171 HydrophobicContact CG-CD1 4.27Å; E167-L171 PolarHBondContact O-N 3.18Å
168A90.8Very high89.1Confident19 Ų1959.6 Ų59.616%0.15729%0.288CS..Hα-helixtrans-59.3-43.6175.200000111.6I40 Y164 I165 R170 L171 Q172I40-A168 HydrophobicContact CD1-CB 3.96Å; Y164-A168 HydrophobicContact CE2-CB 4.26Å; Y164-A168 WeakPolarHBondContact O-CB 3.3Å; Y164-A168 PolarHBondContact O-N 3.27Å; I165-A168 PolarHBondContact O-N 2.99Å; A168-R170 PolarHBondContact O-N 2.91Å; A168-L171 PolarHBondContact O-N 3.44Å; A168-Q172 WeakPolarHBondContact O-CB 3.49Å; A168-Q172 PolarHBondContact O-N 2.88Å
169K88.7Confident89.1Confident84 Ų8457.7 Ų57.737%0.36528%0.278SS..Hα-helixtrans-61.5-42.5173.7-76.4175.5179.9170.20112.5E50 I165 R166 E167 Q172 N173E50-K169 WeakPolarHBondContact OE1-CE 3.12Å; E50-K169 IonicContact OE1-NZ 3.34Å; E50-K169 WeakPolarHBondContact OE2-CE 3.37Å; E50-K169 IonicContact OE2-NZ 2.91Å; E50-K169 PolarHBondContact OE2-NZ 3.21Å; I165-K169 HydrophobicContact CG2-CD 4.15Å; I165-K169 WeakPolarHBondContact O-CB 3.43Å; I165-K169 WeakPolarHBondContact O-CG 3.37Å; I165-K169 PolarHBondContact O-N 2.97Å; R166-K169 PolarHBondContact O-N 3.48Å; E167-K169 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 3.41Å; K169-Q172 PolarHBondContact O-N 3.35Å; K169-N173 PolarHBondContact O-N 3.27Å; K169-N173 PolarHBondContact O-ND2 2.73Å
170R90.7Very high89.2Confident26 Ų2660.1 Ų60.110%0.09829%0.293CS..Hα-helixtrans-61.2-48.7177.1-169.5-159.470.265.67110.1R166 E167 A168 Q172 N173 E174 L189R166-R170 PolarHBondContact O-N 3.09Å; E167-R170 WeakPolarHBondContact O-CB 3.5Å; E167-R170 PolarHBondContact O-N 3.34Å; E167-R170 VanDerWaalsContact O-N 3.16Å; E167-R170 IonicContact OE1-CZ 2.69Å; E167-R170 IonicContact OE1-NE 2.82Å; E167-R170 PolarHBondContact OE1-NE 3.03Å; E167-R170 VanDerWaalsContact OE1-NE 3.17Å; E167-R170 IonicContact OE1-NH2 3.84Å; E167-R170 PolarHBondContact OE1-NH2 3.5Å; E167-R170 IonicContact OE2-CZ 2.83Å; E167-R170 IonicContact OE2-NE 3.8Å; E167-R170 PolarHBondContact OE2-NE 3.32Å; E167-R170 IonicContact OE2-NH2 3.56Å; A168-R170 PolarHBondContact O-N 2.91Å; R170-Q172 VanDerWaalsContact C-N 3.34Å; R170-Q172 PolarHBondContact O-N 3.38Å; R170-N173 CarbonylContact O-C 3.54Å; R170-N173 PolarHBondContact O-N 2.76Å; R170-N173 VanDerWaalsContact O-N 3.12Å; R170-E174 IonicContact CZ-OE1 3.51Å; R170-E174 IonicContact NH1-OE1 2.84Å; R170-E174 PolarHBondContact NH1-OE1 2.93Å; R170-E174 IonicContact NH1-OE2 3.14Å; R170-E174 IonicContact NH2-OE2 3.36Å; R170-E174 PolarHBondContact O-N 2.8Å; R170-E174 VanDerWaalsContact O-N 3.08Å; R170-L189 VanDerWaalsContact CD-O 3.23Å; R170-L189 WeakPolarHBondContact CD-O 3.15Å; R170-L189 HydrophobicContact CG-CD2 4.14Å; R170-L189 HydrophobicContact CG-CG 4.25Å; R170-L189 PolarHBondContact NH1-O 3.34Å; R170-L189 WeakPolarHBondContact O-CD2 3.41Å
171L90.2Very high89.2Confident21 Ų2159.7 Ų59.711%0.1129%0.291CS..Hα-helixtrans-61.9-38.2178.2-76.4170.7000113R27 C30 E167 A168 N173 E174R27-L171 HydrophobicContact CG-CD1 4.31Å; R27-L171 HydrophobicContact CG-CD2 3.87Å; C30-L171 HydrophobicContact CB-CD1 3.49Å; C30-L171 VanDerWaalsContact CB-CD1 3.49Å; E167-L171 HydrophobicContact CG-CD1 4.27Å; E167-L171 PolarHBondContact O-N 3.18Å; A168-L171 PolarHBondContact O-N 3.44Å; L171-N173 PolarHBondContact O-N 3.36Å; L171-E174 PolarHBondContact O-N 2.85Å
172Q88.2Confident89.2Confident111 Ų11164.6 Ų64.652%0.51931%0.313SS..Hα-helixtrans-63.5-32.1175.7-172.6-176.8-000112.4A168 K169 R170A168-Q172 WeakPolarHBondContact O-CB 3.49Å; A168-Q172 PolarHBondContact O-N 2.88Å; K169-Q172 PolarHBondContact O-N 3.35Å; R170-Q172 VanDerWaalsContact C-N 3.34Å; R170-Q172 PolarHBondContact O-N 3.38Å
173N87.7Confident89.5Confident63 Ų6363.9 Ų63.934%0.33730%0.303SS..THydrogen-bonded Turntrans-89.2-5.2178-74.1-69.6000113.6K169 R170 L171 E175 L189 K192K169-N173 PolarHBondContact O-N 3.27Å; K169-N173 PolarHBondContact O-ND2 2.73Å; R170-N173 CarbonylContact O-C 3.54Å; R170-N173 PolarHBondContact O-N 2.76Å; R170-N173 VanDerWaalsContact O-N 3.12Å; L171-N173 PolarHBondContact O-N 3.36Å; N173-E175 PolarHBondContact O-N 2.96Å; N173-L189 HydrophobicContact CB-CD2 3.67Å; N173-K192 HydrophobicContact CB-CD 3.88Å
174E88.6Confident89.8Confident10 Ų1062.8 Ų62.85%0.04730%0.297CS..  trans-84.7109.5-178.7-175.8170.5-108.600110.6R170 L171 S188 L189R170-E174 IonicContact CZ-OE1 3.51Å; R170-E174 IonicContact NH1-OE1 2.84Å; R170-E174 PolarHBondContact NH1-OE1 2.93Å; R170-E174 IonicContact NH1-OE2 3.14Å; R170-E174 IonicContact NH2-OE2 3.36Å; R170-E174 PolarHBondContact O-N 2.8Å; R170-E174 VanDerWaalsContact O-N 3.08Å; L171-E174 PolarHBondContact O-N 2.85Å; E174-S188 WeakPolarHBondContact OE1-CA 3.36Å; E174-S188 WeakPolarHBondContact OE1-CB 3.5Å; E174-L189 HydrophobicContact CB-CB 4.09Å; E174-L189 HydrophobicContact CG-CB 4.13Å; E174-L189 PolarHBondContact OE1-N 3.07Å
175E84.1Confident90Very high85 Ų8562 Ų6240%0.39729%0.294SS..  trans-59.7142.6172.4-63.9174.8-175.700111.1R23 N173 R179 W199R23-E175 PolarHBondContact NH1-O 2.94Å; N173-E175 PolarHBondContact O-N 2.96Å; E175-R179 IonicContact OE1-NH1 3.63Å; E175-R179 WeakPolarHBondContact OE2-CD 3.25Å; E175-R179 IonicContact OE2-CZ 2.9Å; E175-R179 VanDerWaalsContact OE2-CZ 3.31Å; E175-R179 IonicContact OE2-NE 3.86Å; E175-R179 PolarHBondContact OE2-NE 3.02Å; E175-R179 IonicContact OE2-NH1 2.82Å; E175-R179 IonicContact OE2-NH2 3.17Å; E175-W199 HydrophobicContact CB-CH2 4.23Å
176L80.3Confident90.4Very high114 Ų11460.7 Ų60.760%0.59729%0.287SS*.SBendtrans-72.5-38.9-179.2-72.4168.7000112.1R23 R27R23-L176 PolarHBondContact NH1-O 3.27Å; R27-L176 VanDerWaalsContact NH1-CD2 3.26Å
177D88.9Confident90.7Very high129 Ų12956.2 Ų56.269%0.6927%0.27SS*.SBendtrans-76.8145.3-174.7-61.1-34.6000111.7
178F89.6Confident90.9Very high55 Ų5553.7 Ų53.724%0.24126%0.259CS..  trans-79130.8171.4-67.8-81.5000109.5M16 I20 L185 L186 L187M16-F178 HydrophobicContact CB-CD2 4.31Å; M16-F178 HydrophobicContact CB-CE1 4.43Å; M16-F178 HydrophobicContact CB-CE2 4.01Å; M16-F178 HydrophobicContact CB-CZ 4.09Å; M16-F178 HydrophobicContact CE-CB 4.2Å; M16-F178 HydrophobicContact CG-CB 4.48Å; M16-F178 HydrophobicContact CG-CD1 4.01Å; M16-F178 HydrophobicContact CG-CD2 3.91Å; M16-F178 HydrophobicContact CG-CE1 4.21Å; M16-F178 HydrophobicContact CG-CE2 4.1Å; M16-F178 HydrophobicContact CG-CG 3.87Å; M16-F178 HydrophobicContact CG-CZ 4.25Å; M16-F178 WeakPolarHBondContact O-CZ 3.46Å; M16-F178 HydrophobicContact SD-CB 4.48Å; M16-F178 HydrophobicContact SD-CD2 4.21Å; M16-F178 HydrophobicContact SD-CG 4.33Å; I20-F178 HydrophobicContact CD1-CE2 4Å; I20-F178 HydrophobicContact CD1-CZ 4.46Å; I20-F178 HydrophobicContact CG1-CE2 3.73Å; I20-F178 HydrophobicContact CG1-CZ 3.79Å; F178-L185 HydrophobicContact CB-CD1 4.15Å; F178-L185 HydrophobicContact CD1-CD1 4.5Å; F178-L186 WeakPolarHBondContact CD1-O 3.39Å; F178-L187 HydrophobicContact CD1-CD2 4.44Å; F178-L187 HydrophobicContact CE1-CD2 4.21Å
179R91.5Very high91.1Very high60 Ų6052.9 Ų52.923%0.22625%0.252CS..EExtended strand (participates in β ladder)trans-105.4146.6173.1-64.8-177.2-65.1177.72.8109.4E175 L186 E197 W199E175-R179 IonicContact OE1-NH1 3.63Å; E175-R179 WeakPolarHBondContact OE2-CD 3.25Å; E175-R179 IonicContact OE2-CZ 2.9Å; E175-R179 VanDerWaalsContact OE2-CZ 3.31Å; E175-R179 IonicContact OE2-NE 3.86Å; E175-R179 PolarHBondContact OE2-NE 3.02Å; E175-R179 IonicContact OE2-NH1 2.82Å; E175-R179 IonicContact OE2-NH2 3.17Å; R179-L186 HydrophobicContact CB-CB 4.43Å; R179-L186 HydrophobicContact CB-CD2 4.29Å; R179-L186 WeakPolarHBondContact O-CB 2.99Å; R179-L186 PolarHBondContact O-N 2.74Å; R179-E197 IonicContact CZ-OE1 3.51Å; R179-E197 IonicContact NH1-OE1 3.41Å; R179-E197 IonicContact NH2-OE1 2.91Å; R179-E197 PolarHBondContact NH2-OE1 3.18Å; R179-W199 VanDerWaalsContact NH2-CE2 3.28Å
180M92Very high91.3Very high118 Ų11852.1 Ų52.158%0.58125%0.251SS*.EExtended strand (participates in β ladder)trans-126.1124.7173.7-169.817872.100108.9Y184 L204M180-Y184 WeakPolarHBondContact CA-O 3.35Å; M180-L204 HydrophobicContact SD-CD1 4.18Å
181F91.6Very high91.3Very high40 Ų4052.1 Ų52.118%0.17526%0.259CS..EExtended strand (participates in β ladder)trans-114.2117.3172.4-62.5-55.8000108.8Q183 Y184 L186 I214 F255 I257F181-Q183 PolarHBondContact O-N 2.81Å; F181-Y184 PolarHBondContact N-O 3.5Å; F181-Y184 WeakPolarHBondContact O-CB 3.48Å; F181-Y184 WeakPolarHBondContact O-CD2 3.2Å; F181-Y184 PolarHBondContact O-N 3.45Å; F181-L186 HydrophobicContact CD2-CD1 3.68Å; F181-L186 HydrophobicContact CD2-CD2 4.08Å; F181-L186 HydrophobicContact CE2-CD1 4.18Å; F181-L186 HydrophobicContact CE2-CD2 3.69Å; F181-I214 HydrophobicContact CE2-CD1 3.71Å; F181-F255 HydrophobicContact CB-CE2 3.65Å; F181-F255 HydrophobicContact CB-CZ 3.65Å; F181-F255 HydrophobicContact CG-CE2 4.29Å; F181-I257 HydrophobicContact CD1-CG1 4.22Å; F181-I257 HydrophobicContact CD1-CG2 4.18Å; F181-I257 HydrophobicContact CD2-CD1 4.28Å; F181-I257 HydrophobicContact CE1-CD1 4.35Å; F181-I257 HydrophobicContact CE1-CG1 4.28Å; F181-I257 HydrophobicContact CE1-CG2 3.7Å; F181-I257 HydrophobicContact CE2-CD1 4.05Å; F181-I257 HydrophobicContact CG-CG1 4.38Å; F181-I257 HydrophobicContact CZ-CD1 4.08Å; F181-I257 HydrophobicContact CZ-CG2 4.24Å
182H91.9Very high91.2Very high132 Ų13256.2 Ų56.261%0.61128%0.276SS*.THydrogen-bonded Turntrans49.3-112.3-170.2-60.6-69.1000111.2F255H182-F255 AromaticContact CD2-CD2 3.39Å; H182-F255 WeakPolarHBondContact CD2-CD2 3.03Å; H182-F255 AromaticContact CD2-CE2 3.73Å; H182-F255 AromaticContact CD2-CG 3.56Å; H182-F255 AromaticContact NE2-CD2 3.63Å; H182-F255 AromaticContact NE2-CG 3.86Å
183Q93.8Very high90.9Very high51 Ų5153.2 Ų53.224%0.23828%0.275CS..THydrogen-bonded Turntrans-99.72.5179.566.3-152.316.800114.2F181 L204 Q205F181-Q183 PolarHBondContact O-N 2.81Å; Q183-L204 WeakPolarHBondContact O-CB 3.42Å; Q183-L204 PolarHBondContact O-N 3.23Å; Q183-Q205 HydrophobicContact CB-CB 4.36Å; Q183-Q205 HydrophobicContact CG-CB 4.26Å
184Y96.9Very high90.4Very high6 Ų653.8 Ų53.82%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-100.7110.4-174.9-51.9-72.2000110.2M180 F181 F202 D203 V210 D253 F255 V265M180-Y184 WeakPolarHBondContact CA-O 3.35Å; F181-Y184 PolarHBondContact N-O 3.5Å; F181-Y184 WeakPolarHBondContact O-CB 3.48Å; F181-Y184 WeakPolarHBondContact O-CD2 3.2Å; F181-Y184 PolarHBondContact O-N 3.45Å; Y184-F202 WeakPolarHBondContact CA-O 3.5Å; Y184-D203 HydrophobicContact CD1-CB 3.98Å; Y184-D203 HydrophobicContact CE1-CB 3.98Å; Y184-V210 HydrophobicContact CD1-CG2 3.95Å; Y184-V210 HydrophobicContact CE1-CG2 4.48Å; Y184-D253 WeakPolarHBondContact CE2-OD2 3.31Å; Y184-D253 VanDerWaalsContact OH-CB 3.24Å; Y184-D253 WeakPolarHBondContact OH-CB 3.47Å; Y184-D253 PolarHBondContact OH-OD2 3.45Å; Y184-F255 HydrophobicContact CD2-CD1 4.43Å; Y184-F255 AromaticContact CD2-CE1 3.47Å; Y184-F255 HydrophobicContact CD2-CE1 3.47Å; Y184-F255 VanDerWaalsContact CD2-CE1 3.47Å; Y184-F255 AromaticContact CD2-CZ 3.91Å; Y184-F255 HydrophobicContact CD2-CZ 3.91Å; Y184-F255 HydrophobicContact CE2-CD1 4.06Å; Y184-F255 AromaticContact CE2-CE1 3.48Å; Y184-F255 HydrophobicContact CE2-CE1 3.48Å; Y184-F255 VanDerWaalsContact CE2-CE1 3.48Å; Y184-F255 HydrophobicContact CE2-CZ 4.36Å; Y184-V265 HydrophobicContact CD1-CG1 4.13Å; Y184-V265 HydrophobicContact CD1-CG2 4.46Å; Y184-V265 HydrophobicContact CD2-CG2 4.08Å; Y184-V265 HydrophobicContact CE1-CB 4.49Å; Y184-V265 HydrophobicContact CE1-CG1 3.72Å; Y184-V265 HydrophobicContact CE1-CG2 4.18Å; Y184-V265 HydrophobicContact CE2-CG2 3.78Å; Y184-V265 HydrophobicContact CG-CG2 4.4Å
185L96.6Very high90Very high1 Ų158.3 Ų58.31%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-86.4114.8174.9171.461.7000109.8A12 E15 M16 F178 L187 A201 F202 L204A12-L185 HydrophobicContact CB-CD2 4.06Å; E15-L185 HydrophobicContact CB-CD2 4.3Å; M16-L185 HydrophobicContact CE-CD1 3.39Å; M16-L185 HydrophobicContact CE-CD2 3.96Å; M16-L185 HydrophobicContact CE-CG 4.33Å; M16-L185 HydrophobicContact CG-CD1 4.37Å; M16-L185 HydrophobicContact CG-CD2 3.97Å; F178-L185 HydrophobicContact CB-CD1 4.15Å; F178-L185 HydrophobicContact CD1-CD1 4.5Å; L185-L187 HydrophobicContact CD2-CD2 3.82Å; L185-L187 HydrophobicContact CG-CD2 3.83Å; L185-L187 PolarHBondContact O-N 3.48Å; L185-A201 CarbonylContact O-C 3.54Å; L185-A201 WeakPolarHBondContact O-CA 3.35Å; L185-A201 WeakPolarHBondContact O-CB 3.35Å; L185-F202 PolarHBondContact N-O 3.48Å; L185-F202 PolarHBondContact O-N 3.16Å; L185-L204 HydrophobicContact CB-CD1 4.4Å
186L96.5Very high90.2Very high0 Ų055.8 Ų55.80%031%0.308CS..EExtended strand (participates in β ladder)trans-78.2118.4179.7-85.961.5000110.9F178 R179 F181 W199 A201 I214F178-L186 WeakPolarHBondContact CD1-O 3.39Å; R179-L186 HydrophobicContact CB-CB 4.43Å; R179-L186 HydrophobicContact CB-CD2 4.29Å; R179-L186 WeakPolarHBondContact O-CB 2.99Å; R179-L186 PolarHBondContact O-N 2.74Å; F181-L186 HydrophobicContact CD2-CD1 3.68Å; F181-L186 HydrophobicContact CD2-CD2 4.08Å; F181-L186 HydrophobicContact CE2-CD1 4.18Å; F181-L186 HydrophobicContact CE2-CD2 3.69Å; L186-W199 HydrophobicContact CB-CD2 4.47Å; L186-W199 HydrophobicContact CB-CE3 4.14Å; L186-W199 HydrophobicContact CD2-CB 4.17Å; L186-W199 HydrophobicContact CD2-CD2 3.97Å; L186-W199 HydrophobicContact CD2-CE3 4.4Å; L186-W199 HydrophobicContact CD2-CG 3.83Å; L186-W199 HydrophobicContact CG-CB 3.98Å; L186-W199 HydrophobicContact CG-CD2 4.39Å; L186-W199 HydrophobicContact CG-CG 4.15Å; L186-A201 HydrophobicContact CD1-CB 4.25Å; L186-A201 HydrophobicContact CG-CB 4.47Å; L186-I214 HydrophobicContact CD2-CD1 3.91Å
187L95.6Very high90.8Very high0 Ų050.6 Ų50.60%028%0.28CS..EExtended strand (participates in β ladder)trans-101.1-45.7-171.3-62.8177.5000113.8E15 S19 R23 F178 L185 R200 F202 Y209E15-L187 HydrophobicContact CB-CD1 4.37Å; E15-L187 HydrophobicContact CB-CD2 4Å; S19-L187 PolarHBondContact OG-O 3.4Å; R23-L187 PolarHBondContact NE-O 2.69Å; R23-L187 PolarHBondContact NH2-O 3.36Å; F178-L187 HydrophobicContact CD1-CD2 4.44Å; F178-L187 HydrophobicContact CE1-CD2 4.21Å; L185-L187 HydrophobicContact CD2-CD2 3.82Å; L185-L187 HydrophobicContact CG-CD2 3.83Å; L185-L187 PolarHBondContact O-N 3.48Å; L187-R200 WeakPolarHBondContact CA-O 3.23Å; L187-R200 WeakPolarHBondContact CB-O 3.41Å; L187-R200 PolarHBondContact N-O 2.91Å; L187-F202 HydrophobicContact CD1-CB 4.04Å; L187-Y209 HydrophobicContact CD1-CD1 4.15Å; L187-Y209 HydrophobicContact CD1-CE1 3.69Å
188S94.7Very high91Very high3 Ų346.4 Ų46.42%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-158.1146.8-179610000111.4E174 L190 W199 R200E174-S188 WeakPolarHBondContact OE1-CA 3.36Å; E174-S188 WeakPolarHBondContact OE1-CB 3.5Å; S188-L190 PolarHBondContact O-N 2.95Å; S188-W199 CarbonylContact O-C 3.58Å; S188-W199 WeakPolarHBondContact O-CA 3.18Å; S188-R200 PolarHBondContact N-O 3.44Å; S188-R200 PolarHBondContact O-N 3.09Å
189L94.6Very high91.4Very high2 Ų243.9 Ų43.91%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-71.4127.6178.2-17769.5000109.4R170 N173 E174 G191 K192 E197 W199R170-L189 VanDerWaalsContact CD-O 3.23Å; R170-L189 WeakPolarHBondContact CD-O 3.15Å; R170-L189 HydrophobicContact CG-CD2 4.14Å; R170-L189 HydrophobicContact CG-CG 4.25Å; R170-L189 PolarHBondContact NH1-O 3.34Å; R170-L189 WeakPolarHBondContact O-CD2 3.41Å; N173-L189 HydrophobicContact CB-CD2 3.67Å; E174-L189 HydrophobicContact CB-CB 4.09Å; E174-L189 HydrophobicContact CG-CB 4.13Å; E174-L189 PolarHBondContact OE1-N 3.07Å; L189-G191 WeakPolarHBondContact CD1-O 3.49Å; L189-K192 HydrophobicContact CD2-CB 4.38Å; L189-E197 HydrophobicContact CD1-CB 4.05Å; L189-W199 HydrophobicContact CB-CD2 4.37Å; L189-W199 HydrophobicContact CB-CE3 4.36Å; L189-W199 HydrophobicContact CB-CH2 4.28Å; L189-W199 HydrophobicContact CB-CZ2 4.3Å; L189-W199 HydrophobicContact CB-CZ3 4.31Å; L189-W199 HydrophobicContact CD1-CD2 4.17Å; L189-W199 HydrophobicContact CD1-CG 4.39Å; L189-W199 HydrophobicContact CD1-CZ2 4.07Å
190L93.2Very high91.6Very high67 Ų6741.9 Ų41.935%0.35124%0.241SC..EExtended strand (participates in β ladder)trans-91.2-36.3172.9-63.5174.4000111.4S188 V198 R200 A211 Y268S188-L190 PolarHBondContact O-N 2.95Å; L190-V198 WeakPolarHBondContact CA-O 3.24Å; L190-V198 HydrophobicContact CB-CB 4.44Å; L190-V198 HydrophobicContact CB-CG1 4.41Å; L190-V198 WeakPolarHBondContact CB-O 3.45Å; L190-V198 HydrophobicContact CD1-CG1 4.2Å; L190-V198 PolarHBondContact N-O 2.91Å; L190-R200 HydrophobicContact CD1-CB 4.1Å; L190-R200 HydrophobicContact CD2-CB 4.02Å; L190-R200 HydrophobicContact CG-CB 4.05Å; L190-A211 HydrophobicContact CD1-CB 4.45Å; L190-Y268 HydrophobicContact CD1-CD2 4.13Å; L190-Y268 HydrophobicContact CD1-CE2 3.82Å; L190-Y268 HydrophobicContact CD2-CE2 4.2Å
191G90.7Very high91.9Very high26 Ų2636.2 Ų36.227%0.26821%0.213SC..EExtended strand (participates in β ladder)trans-174.6157.517700000112.8L189 E197 V198L189-G191 WeakPolarHBondContact CD1-O 3.49Å; G191-E197 CarbonylContact O-C 3.1Å; G191-E197 WeakPolarHBondContact O-CA 3.15Å; G191-V198 PolarHBondContact N-O 2.87Å; G191-V198 PolarHBondContact O-N 2.77Å
192K88.5Confident92.1Very high107 Ų10734.9 Ų34.947%0.46521%0.207SC..EExtended strand (participates in β ladder)trans-133.5125.3177.7-173.4169-175.2172.60109.8N173 L189 E197N173-K192 HydrophobicContact CB-CD 3.88Å; L189-K192 HydrophobicContact CD2-CB 4.38Å; K192-E197 HydrophobicContact CB-CB 4.38Å; K192-E197 HydrophobicContact CG-CB 4.18Å; K192-E197 IonicContact NZ-OE2 3.7Å
193G82.5Confident92.4Very high48 Ų4828.6 Ų28.650%0.49518%0.178SC..  trans-106.2-167.9172.400000111.5S196G193-S196 PolarHBondContact N-O 2.83Å
194G77.4Confident92.4Very high75 Ų7527.2 Ų27.277%0.77317%0.172SC*.SBendtrans-69.7-30.4-177.900000114.9
195F79.6Confident92.2Very high105 Ų10532.8 Ų32.846%0.46120%0.198SC..SBendtrans-129.81.2-174.6-52.9-72000113.7Q216 W221F195-Q216 PolarHBondContact O-N 3.4Å; F195-W221 HydrophobicContact CD1-CH2 4.03Å; F195-W221 AromaticContact CD1-CZ2 3.87Å; F195-W221 HydrophobicContact CD1-CZ2 3.87Å; F195-W221 HydrophobicContact CE1-CH2 4.08Å; F195-W221 AromaticContact CE1-CZ2 3.45Å; F195-W221 HydrophobicContact CE1-CZ2 3.45Å; F195-W221 VanDerWaalsContact CE1-CZ2 3.45Å; F195-W221 HydrophobicContact CZ-CZ2 4.03Å
196S88.1Confident92.1Very high33 Ų3338 Ų3823%0.23122%0.222CC..EExtended strand (participates in β ladder)trans-151.6155179.9580000112.2G193 I214G193-S196 PolarHBondContact N-O 2.83Å; S196-I214 CarbonylContact C-O 3.43Å; S196-I214 WeakPolarHBondContact CA-O 3.27Å; S196-I214 VanDerWaalsContact CB-O 3.22Å; S196-I214 WeakPolarHBondContact CB-O 3.45Å
197E92.2Very high92Very high4 Ų440.8 Ų40.82%0.01924%0.237CC..EExtended strand (participates in β ladder)trans-129.3146.4170.757.8-177.5-14300109.6R179 L189 G191 K192 W199 K213 I214R179-E197 IonicContact CZ-OE1 3.51Å; R179-E197 IonicContact NH1-OE1 3.41Å; R179-E197 IonicContact NH2-OE1 2.91Å; R179-E197 PolarHBondContact NH2-OE1 3.18Å; L189-E197 HydrophobicContact CD1-CB 4.05Å; G191-E197 CarbonylContact O-C 3.1Å; G191-E197 WeakPolarHBondContact O-CA 3.15Å; K192-E197 HydrophobicContact CB-CB 4.38Å; K192-E197 HydrophobicContact CG-CB 4.18Å; K192-E197 IonicContact NZ-OE2 3.7Å; E197-W199 VanDerWaalsContact CD-NE1 3.27Å; E197-W199 PolarHBondContact OE1-NE1 3.32Å; E197-K213 CarbonylContact O-C 3.5Å; E197-K213 WeakPolarHBondContact O-CA 3.41Å; E197-I214 HydrophobicContact CG-CB 3.9Å; E197-I214 HydrophobicContact CG-CD1 4.34Å; E197-I214 PolarHBondContact N-O 3.26Å; E197-I214 PolarHBondContact O-N 3.02Å
198V94.6Very high92Very high42 Ų4244.7 Ų44.726%0.25525%0.252SS..EExtended strand (participates in β ladder)trans-119.9126.7-177.7-170.90000108.1L190 G191 A211 C212 K213L190-V198 WeakPolarHBondContact CA-O 3.24Å; L190-V198 HydrophobicContact CB-CB 4.44Å; L190-V198 HydrophobicContact CB-CG1 4.41Å; L190-V198 WeakPolarHBondContact CB-O 3.45Å; L190-V198 HydrophobicContact CD1-CG1 4.2Å; L190-V198 PolarHBondContact N-O 2.91Å; G191-V198 PolarHBondContact N-O 2.87Å; G191-V198 PolarHBondContact O-N 2.77Å; V198-A211 HydrophobicContact CG1-CB 4.26Å; V198-C212 CarbonylContact C-O 3.6Å; V198-C212 WeakPolarHBondContact CA-O 3.46Å; V198-K213 HydrophobicContact CG2-CB 4.27Å; V198-K213 HydrophobicContact CG2-CG 4.09Å
199W96.4Very high92.1Very high1 Ų148 Ų480%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-117.2139.5-178.9-70.778.8000110.7E175 R179 L186 S188 L189 E197 A211 C212E175-W199 HydrophobicContact CB-CH2 4.23Å; R179-W199 VanDerWaalsContact NH2-CE2 3.28Å; L186-W199 HydrophobicContact CB-CD2 4.47Å; L186-W199 HydrophobicContact CB-CE3 4.14Å; L186-W199 HydrophobicContact CD2-CB 4.17Å; L186-W199 HydrophobicContact CD2-CD2 3.97Å; L186-W199 HydrophobicContact CD2-CE3 4.4Å; L186-W199 HydrophobicContact CD2-CG 3.83Å; L186-W199 HydrophobicContact CG-CB 3.98Å; L186-W199 HydrophobicContact CG-CD2 4.39Å; L186-W199 HydrophobicContact CG-CG 4.15Å; S188-W199 CarbonylContact O-C 3.58Å; S188-W199 WeakPolarHBondContact O-CA 3.18Å; L189-W199 HydrophobicContact CB-CD2 4.37Å; L189-W199 HydrophobicContact CB-CE3 4.36Å; L189-W199 HydrophobicContact CB-CH2 4.28Å; L189-W199 HydrophobicContact CB-CZ2 4.3Å; L189-W199 HydrophobicContact CB-CZ3 4.31Å; L189-W199 HydrophobicContact CD1-CD2 4.17Å; L189-W199 HydrophobicContact CD1-CG 4.39Å; L189-W199 HydrophobicContact CD1-CZ2 4.07Å; E197-W199 VanDerWaalsContact CD-NE1 3.27Å; E197-W199 PolarHBondContact OE1-NE1 3.32Å; W199-A211 CarbonylContact O-C 3.53Å; W199-A211 WeakPolarHBondContact O-CA 2.98Å; W199-C212 HydrophobicContact CB-CB 4.48Å; W199-C212 PolarHBondContact N-O 3.27Å; W199-C212 PolarHBondContact O-N 3.5Å
200R96.5Very high92.2Very high18 Ų1848 Ų487%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-70.2128.3158.1174178.6148.1-173.2-11.9106.3E22 L187 S188 L190 Y209 Y268E22-R200 IonicContact OE1-CZ 3.88Å; E22-R200 IonicContact OE1-NH1 3.62Å; E22-R200 PolarHBondContact OE1-NH1 3.35Å; E22-R200 IonicContact OE1-NH2 2.7Å; E22-R200 PolarHBondContact OE1-NH2 3.31Å; E22-R200 IonicContact OE2-CZ 2.83Å; E22-R200 IonicContact OE2-NH1 3.14Å; E22-R200 PolarHBondContact OE2-NH1 3.31Å; E22-R200 VanDerWaalsContact OE2-NH1 3.14Å; L187-R200 WeakPolarHBondContact CA-O 3.23Å; L187-R200 WeakPolarHBondContact CB-O 3.41Å; L187-R200 PolarHBondContact N-O 2.91Å; S188-R200 PolarHBondContact N-O 3.44Å; S188-R200 PolarHBondContact O-N 3.09Å; L190-R200 HydrophobicContact CD1-CB 4.1Å; L190-R200 HydrophobicContact CD2-CB 4.02Å; L190-R200 HydrophobicContact CG-CB 4.05Å; R200-Y209 HydrophobicContact CG-CD1 4.35Å; R200-Y268 HydrophobicContact CB-CE2 4.17Å; R200-Y268 HydrophobicContact CG-CD2 4.46Å; R200-Y268 HydrophobicContact CG-CE2 4.1Å
201A97.4Very high92.4Very high0 Ų045.2 Ų45.20%025%0.251CS..EExtended strand (participates in β ladder)trans-135.5163.7178.700000110.4L185 L186 Y209 V210 C212L185-A201 CarbonylContact O-C 3.54Å; L185-A201 WeakPolarHBondContact O-CA 3.35Å; L185-A201 WeakPolarHBondContact O-CB 3.35Å; L186-A201 HydrophobicContact CD1-CB 4.25Å; L186-A201 HydrophobicContact CG-CB 4.47Å; A201-Y209 WeakPolarHBondContact O-CA 3.32Å; A201-V210 HydrophobicContact CB-CG2 3.92Å; A201-V210 PolarHBondContact N-O 2.82Å; A201-V210 PolarHBondContact O-N 2.83Å; A201-V210 VanDerWaalsContact O-O 3.14Å; A201-C212 HydrophobicContact CB-CB 4.39Å; A201-C212 VanDerWaalsContact CB-SG 3.6Å
202F97.3Very high92.7Very high12 Ų1244 Ų445%0.05324%0.238CC..EExtended strand (participates in β ladder)trans-114.3126.5173.9-164.9-97.2000110F11 E15 Y184 L185 L187 L204 L207 Y209F11-F202 HydrophobicContact CB-CE1 4.35Å; E15-F202 HydrophobicContact CG-CB 4.31Å; E15-F202 HydrophobicContact CG-CD1 4.1Å; E15-F202 HydrophobicContact CG-CD2 3.97Å; E15-F202 HydrophobicContact CG-CE1 4.38Å; E15-F202 HydrophobicContact CG-CE2 4.26Å; E15-F202 HydrophobicContact CG-CG 3.88Å; E15-F202 HydrophobicContact CG-CZ 4.45Å; Y184-F202 WeakPolarHBondContact CA-O 3.5Å; L185-F202 PolarHBondContact N-O 3.48Å; L185-F202 PolarHBondContact O-N 3.16Å; L187-F202 HydrophobicContact CD1-CB 4.04Å; F202-L204 HydrophobicContact CD1-CD2 3.86Å; F202-L204 HydrophobicContact CD1-CG 4.43Å; F202-L204 HydrophobicContact CE1-CD2 4.28Å; F202-L204 PolarHBondContact O-N 3.43Å; F202-L207 HydrophobicContact CE1-CD2 4.03Å; F202-L207 HydrophobicContact CZ-CB 4.29Å; F202-L207 HydrophobicContact CZ-CD2 4.5Å; F202-Y209 AromaticContact CD2-CD1 3.71Å; F202-Y209 HydrophobicContact CD2-CD1 3.71Å; F202-Y209 AromaticContact CD2-CE1 3.63Å; F202-Y209 HydrophobicContact CD2-CE1 3.63Å; F202-Y209 HydrophobicContact CD2-CG 4.23Å; F202-Y209 HydrophobicContact CE2-CE1 4.34Å
203D96.9Very high92.9Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-82104.4174.3178.1-13.9000108.8Y184 Q205 H206 L207 R208 V210Y184-D203 HydrophobicContact CD1-CB 3.98Å; Y184-D203 HydrophobicContact CE1-CB 3.98Å; D203-Q205 PolarHBondContact O-N 3.23Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.36Å; D203-Q205 PolarHBondContact OD1-N 2.74Å; D203-H206 IonicContact OD1-CD2 3.5Å; D203-H206 PolarHBondContact OD1-N 3.4Å; D203-H206 WeakPolarHBondContact OD2-CB 3.48Å; D203-H206 IonicContact OD2-CD2 2.78Å; D203-H206 PolarHBondContact OD2-CD2 2.93Å; D203-H206 VanDerWaalsContact OD2-CD2 3.26Å; D203-H206 IonicContact OD2-CG 3.77Å; D203-L207 WeakPolarHBondContact O-CA 3.4Å; D203-L207 PolarHBondContact O-N 2.85Å; D203-R208 HydrophobicContact CB-CG 4.01Å; D203-R208 WeakPolarHBondContact CB-O 3.31Å; D203-R208 PolarHBondContact N-O 2.8Å; D203-R208 PolarHBondContact O-N 3.21Å; D203-R208 IonicContact OD2-NE 2.76Å; D203-R208 PolarHBondContact OD2-NE 3.44Å; D203-R208 IonicContact OD2-NH2 2.62Å; D203-V210 HydrophobicContact CB-CG1 4.03Å; D203-V210 HydrophobicContact CB-CG2 4.49Å
204L94.5Very high93.4Very high22 Ų2237.9 Ų37.912%0.11520%0.198CC..THydrogen-bonded Turntrans-72.2-14.7-177.2-67168.9000113.2A8 F11 A12 M180 Q183 L185 F202 L207A8-L204 HydrophobicContact CB-CB 4.37Å; A8-L204 WeakPolarHBondContact O-CD2 3.48Å; F11-L204 HydrophobicContact CB-CD2 4.19Å; A12-L204 HydrophobicContact CB-CD1 4.14Å; A12-L204 HydrophobicContact CB-CD2 3.93Å; M180-L204 HydrophobicContact SD-CD1 4.18Å; Q183-L204 WeakPolarHBondContact O-CB 3.42Å; Q183-L204 PolarHBondContact O-N 3.23Å; L185-L204 HydrophobicContact CB-CD1 4.4Å; F202-L204 HydrophobicContact CD1-CD2 3.86Å; F202-L204 HydrophobicContact CD1-CG 4.43Å; F202-L204 HydrophobicContact CE1-CD2 4.28Å; F202-L204 PolarHBondContact O-N 3.43Å; L204-L207 WeakPolarHBondContact O-CD2 3.5Å
205Q93.4Very high93.9Very high122 Ų12234.6 Ų34.657%0.5716%0.163SC*.THydrogen-bonded Turntrans-86-49177.5-173-177.626.100110.9Q183 D203Q183-Q205 HydrophobicContact CB-CB 4.36Å; Q183-Q205 HydrophobicContact CG-CB 4.26Å; D203-Q205 PolarHBondContact O-N 3.23Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.36Å; D203-Q205 PolarHBondContact OD1-N 2.74Å
206H94.3Very high94.3Very high111 Ų11134 Ų3451%0.51416%0.161SC..THydrogen-bonded Turntrans-95.6-0.7-178.8-63.8-67.9000114.1D203 R208D203-H206 IonicContact OD1-CD2 3.5Å; D203-H206 PolarHBondContact OD1-N 3.4Å; D203-H206 WeakPolarHBondContact OD2-CB 3.48Å; D203-H206 IonicContact OD2-CD2 2.78Å; D203-H206 PolarHBondContact OD2-CD2 2.93Å; D203-H206 VanDerWaalsContact OD2-CD2 3.26Å; D203-H206 IonicContact OD2-CG 3.77Å; H206-R208 HydrophobicContact CB-CG 4.15Å
207L93.6Very high93.9Very high58 Ų5833 Ų3330%0.30415%0.154SC..THydrogen-bonded Turntrans52.755.6177.1-56179.6000112.8F11 F202 D203 L204F11-L207 HydrophobicContact CD2-CD1 4.34Å; F11-L207 HydrophobicContact CD2-CD2 3.55Å; F11-L207 HydrophobicContact CE2-CD1 3.77Å; F11-L207 HydrophobicContact CE2-CD2 3.86Å; F11-L207 HydrophobicContact CE2-CG 4.48Å; F11-L207 HydrophobicContact CG-CD2 4.09Å; F11-L207 HydrophobicContact CZ-CD1 4.22Å; F202-L207 HydrophobicContact CE1-CD2 4.03Å; F202-L207 HydrophobicContact CZ-CB 4.29Å; F202-L207 HydrophobicContact CZ-CD2 4.5Å; D203-L207 WeakPolarHBondContact O-CA 3.4Å; D203-L207 PolarHBondContact O-N 2.85Å; L204-L207 WeakPolarHBondContact O-CD2 3.5Å
208R94.9Very high93.2Very high82 Ų8235.5 Ų35.531%0.30917%0.168SC..EExtended strand (participates in β ladder)trans-146.7154-178.163.1-178.1176.6175.31.1111.9D203 H206 V210 F252D203-R208 HydrophobicContact CB-CG 4.01Å; D203-R208 WeakPolarHBondContact CB-O 3.31Å; D203-R208 PolarHBondContact N-O 2.8Å; D203-R208 PolarHBondContact O-N 3.21Å; D203-R208 IonicContact OD2-NE 2.76Å; D203-R208 PolarHBondContact OD2-NE 3.44Å; D203-R208 IonicContact OD2-NH2 2.62Å; H206-R208 HydrophobicContact CB-CG 4.15Å; R208-V210 HydrophobicContact CG-CG1 4.24Å; R208-F252 VanDerWaalsContact NH2-CG 3.28Å
209Y96.8Very high92.3Very high74 Ų7439 Ų3929%0.2918%0.184SC..EExtended strand (participates in β ladder)trans-72.1141.5168.9-66.3-68.4000111.7E15 L187 R200 A201 F202 Y268E15-Y209 VanDerWaalsContact CD-OH 3.24Å; E15-Y209 PolarHBondContact OE1-OH 2.74Å; E15-Y209 VanDerWaalsContact OE1-OH 3.12Å; E15-Y209 WeakPolarHBondContact OE2-CE1 3.38Å; E15-Y209 VanDerWaalsContact OE2-CZ 3.22Å; E15-Y209 PolarHBondContact OE2-OH 2.72Å; L187-Y209 HydrophobicContact CD1-CD1 4.15Å; L187-Y209 HydrophobicContact CD1-CE1 3.69Å; R200-Y209 HydrophobicContact CG-CD1 4.35Å; A201-Y209 WeakPolarHBondContact O-CA 3.32Å; F202-Y209 AromaticContact CD2-CD1 3.71Å; F202-Y209 HydrophobicContact CD2-CD1 3.71Å; F202-Y209 AromaticContact CD2-CE1 3.63Å; F202-Y209 HydrophobicContact CD2-CE1 3.63Å; F202-Y209 HydrophobicContact CD2-CG 4.23Å; F202-Y209 HydrophobicContact CE2-CE1 4.34Å; Y209-Y268 HydrophobicContact CG-CD1 4.36Å
210V97.7Very high91.6Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-137159.9176.9-60.90000110.1Y184 A201 D203 R208 F252 V265 L266Y184-V210 HydrophobicContact CD1-CG2 3.95Å; Y184-V210 HydrophobicContact CE1-CG2 4.48Å; A201-V210 HydrophobicContact CB-CG2 3.92Å; A201-V210 PolarHBondContact N-O 2.82Å; A201-V210 PolarHBondContact O-N 2.83Å; A201-V210 VanDerWaalsContact O-O 3.14Å; D203-V210 HydrophobicContact CB-CG1 4.03Å; D203-V210 HydrophobicContact CB-CG2 4.49Å; R208-V210 HydrophobicContact CG-CG1 4.24Å; V210-F252 HydrophobicContact CG1-CD2 3.78Å; V210-F252 HydrophobicContact CG1-CE2 4Å; V210-V265 HydrophobicContact CB-CG1 3.7Å; V210-V265 HydrophobicContact CG1-CG1 3.99Å; V210-V265 HydrophobicContact CG2-CG1 3.75Å; V210-L266 WeakPolarHBondContact CA-O 3.46Å; V210-L266 WeakPolarHBondContact CB-O 2.73Å
211A97.2Very high90.8Very high10 Ų1046.6 Ų46.68%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-104.5117.2170.200000109.3L190 V198 W199 L266 Y268L190-A211 HydrophobicContact CD1-CB 4.45Å; V198-A211 HydrophobicContact CG1-CB 4.26Å; W199-A211 CarbonylContact O-C 3.53Å; W199-A211 WeakPolarHBondContact O-CA 2.98Å; A211-L266 HydrophobicContact CB-CB 4.27Å; A211-L266 PolarHBondContact N-O 3.05Å; A211-L266 PolarHBondContact O-N 2.87Å; A211-Y268 HydrophobicContact CB-CD2 4.46Å
212C96.7Very high90.1Very high0 Ų050 Ų500%025%0.248CC..EExtended strand (participates in β ladder)trans-95.5106.8176.9-70.70000109.8V198 W199 A201V198-C212 CarbonylContact C-O 3.6Å; V198-C212 WeakPolarHBondContact CA-O 3.46Å; W199-C212 HydrophobicContact CB-CB 4.48Å; W199-C212 PolarHBondContact N-O 3.27Å; W199-C212 PolarHBondContact O-N 3.5Å; A201-C212 HydrophobicContact CB-CB 4.39Å; A201-C212 VanDerWaalsContact CB-SG 3.6Å
213K93.8Very high89.3Confident23 Ų2355.7 Ų55.710%0.128%0.275CS..EExtended strand (participates in β ladder)trans-89.1106.6172.2-175.8-178.7-179.5-172.20108.3E197 V198 H215 E236 C263 T264 L266 D335E197-K213 CarbonylContact O-C 3.5Å; E197-K213 WeakPolarHBondContact O-CA 3.41Å; V198-K213 HydrophobicContact CG2-CB 4.27Å; V198-K213 HydrophobicContact CG2-CG 4.09Å; K213-H215 PolarHBondContact O-CD2 3.16Å; K213-E236 IonicContact NZ-OE1 3.8Å; K213-E236 PolarHBondContact NZ-OE1 3.02Å; K213-C263 WeakPolarHBondContact O-CA 3.44Å; K213-T264 PolarHBondContact N-O 3.26Å; K213-T264 PolarHBondContact O-N 2.8Å; K213-L266 HydrophobicContact CB-CD1 4.47Å; K213-D335 IonicContact NZ-OD1 2.81Å; K213-D335 PolarHBondContact NZ-OD1 2.77Å
214I92.6Very high88.5Confident4 Ų462.6 Ų62.62%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-92.6124.5178.3-60170.1000108.2F181 L186 S196 E197 Q216 I257F181-I214 HydrophobicContact CE2-CD1 3.71Å; L186-I214 HydrophobicContact CD2-CD1 3.91Å; S196-I214 CarbonylContact C-O 3.43Å; S196-I214 WeakPolarHBondContact CA-O 3.27Å; S196-I214 VanDerWaalsContact CB-O 3.22Å; S196-I214 WeakPolarHBondContact CB-O 3.45Å; E197-I214 HydrophobicContact CG-CB 3.9Å; E197-I214 HydrophobicContact CG-CD1 4.34Å; E197-I214 PolarHBondContact N-O 3.26Å; E197-I214 PolarHBondContact O-N 3.02Å; I214-Q216 HydrophobicContact CG2-CG 4.34Å; I214-I257 HydrophobicContact CG1-CD1 4.18Å; I214-I257 HydrophobicContact CG2-CD1 3.86Å
215H88.4Confident87.7Confident6 Ų668 Ų683%0.02833%0.326CS..EExtended strand (participates in β ladder)trans-102.1130.3177.4-64.6-109.8000108.9K213 Y229 S261 F262K213-H215 PolarHBondContact O-CD2 3.16Å; H215-Y229 HydrophobicContact CB-CE1 4.49Å; H215-Y229 PolarHBondContact ND1-OH 3.43Å; H215-S261 VanDerWaalsContact O-CA 3.23Å; H215-S261 WeakPolarHBondContact O-CA 3.31Å; H215-S261 WeakPolarHBondContact O-CB 3.28Å; H215-F262 HydrophobicContact CB-CD1 3.86Å; H215-F262 HydrophobicContact CB-CD2 4.21Å; H215-F262 HydrophobicContact CB-CE1 3.38Å; H215-F262 HydrophobicContact CB-CE2 3.76Å; H215-F262 HydrophobicContact CB-CG 4.24Å; H215-F262 HydrophobicContact CB-CZ 3.29Å; H215-F262 AromaticContact CD2-CD2 3.88Å; H215-F262 AromaticContact CD2-CE2 3.21Å; H215-F262 WeakPolarHBondContact CD2-CE2 3.24Å; H215-F262 AromaticContact CD2-CZ 3.54Å; H215-F262 AromaticContact CE1-CZ 3.94Å; H215-F262 AromaticContact CG-CE1 3.87Å; H215-F262 AromaticContact CG-CE2 3.42Å; H215-F262 VanDerWaalsContact CG-CE2 3.42Å; H215-F262 AromaticContact CG-CZ 3.18Å; H215-F262 PolarHBondContact N-O 2.95Å; H215-F262 AromaticContact ND1-CE2 3.94Å; H215-F262 AromaticContact ND1-CZ 3.48Å; H215-F262 WeakPolarHBondContact ND1-CZ 3.49Å; H215-F262 AromaticContact NE2-CE2 3.68Å; H215-F262 PolarHBondContact O-N 2.63Å
216Q86.1Confident86.9Confident91 Ų9164 Ų6443%0.42531%0.306SS..EExtended strand (participates in β ladder)trans-118.4119.1177.6-66.517917.200109.4F195 I214F195-Q216 PolarHBondContact O-N 3.4Å; I214-Q216 HydrophobicContact CG2-CG 4.34Å
217V80.3Confident86Confident12 Ų1261.3 Ų61.37%0.07330%0.297CS..  trans-73.9128.9173.9-178.30000108.5L219 W221 K226 Y229 N260V217-L219 PolarHBondContact O-N 2.93Å; V217-W221 HydrophobicContact CG1-CE3 3.97Å; V217-W221 HydrophobicContact CG1-CZ3 4.36Å; V217-K226 HydrophobicContact CG1-CB 4.08Å; V217-K226 HydrophobicContact CG1-CD 4.05Å; V217-K226 HydrophobicContact CG1-CG 3.6Å; V217-Y229 HydrophobicContact CG2-CD1 3.68Å; V217-Y229 HydrophobicContact CG2-CE1 3.86Å; V217-N260 HydrophobicContact CB-CB 4.33Å; V217-N260 WeakPolarHBondContact CB-O 3.41Å; V217-N260 WeakPolarHBondContact CG2-O 3.38Å; V217-N260 PolarHBondContact N-O 3.33Å
218N77.5Confident85.2Confident58 Ų5861 Ų6131%0.3130%0.296SS..  trans-66.5127175.4-176.8-26.1000109.7D220 W221 K226N218-D220 VanDerWaalsContact C-N 3.26Å; N218-D220 PolarHBondContact O-N 3.47Å; N218-D220 WeakPolarHBondContact OD1-CB 3.35Å; N218-D220 PolarHBondContact OD1-N 3.33Å; N218-W221 HydrophobicContact CB-CD2 3.82Å; N218-W221 HydrophobicContact CB-CE3 4.48Å; N218-W221 HydrophobicContact CB-CG 3.91Å; N218-W221 HydrophobicContact CB-CZ2 4.19Å; N218-W221 WeakPolarHBondContact O-CB 3.22Å; N218-W221 PolarHBondContact O-N 2.91Å; N218-K226 WeakPolarHBondContact O-CE 3.03Å
219L76.6Confident84.2Confident114 Ų11459.3 Ų59.360%0.59729%0.29SS*.THydrogen-bonded Turntrans-63.9-30.5-177.5-63.5176.7000113V217 W221 K226 N260V217-L219 PolarHBondContact O-N 2.93Å; L219-W221 PolarHBondContact O-N 2.87Å; L219-K226 PolarHBondContact O-NZ 3.05Å; L219-K226 VanDerWaalsContact O-NZ 3.1Å; L219-N260 HydrophobicContact CD2-CB 4.32Å; L219-N260 WeakPolarHBondContact CD2-ND2 3.33Å
220D81.6Confident83.2Confident149 Ų14958.8 Ų58.880%0.79729%0.294SS*.THydrogen-bonded Turntrans-75.9-7.3-179.8-57.9-32.2000113.1N218N218-D220 VanDerWaalsContact C-N 3.26Å; N218-D220 PolarHBondContact O-N 3.47Å; N218-D220 WeakPolarHBondContact OD1-CB 3.35Å; N218-D220 PolarHBondContact OD1-N 3.33Å
221W78.9Confident82.1Confident31 Ų3166.1 Ų66.112%0.11732%0.322CS..SBendtrans-69.5142.4177.1-73.4-0.2000111.5F195 V217 N218 L219 R225 K226 Y229F195-W221 HydrophobicContact CD1-CH2 4.03Å; F195-W221 AromaticContact CD1-CZ2 3.87Å; F195-W221 HydrophobicContact CD1-CZ2 3.87Å; F195-W221 HydrophobicContact CE1-CH2 4.08Å; F195-W221 AromaticContact CE1-CZ2 3.45Å; F195-W221 HydrophobicContact CE1-CZ2 3.45Å; F195-W221 VanDerWaalsContact CE1-CZ2 3.45Å; F195-W221 HydrophobicContact CZ-CZ2 4.03Å; V217-W221 HydrophobicContact CG1-CE3 3.97Å; V217-W221 HydrophobicContact CG1-CZ3 4.36Å; N218-W221 HydrophobicContact CB-CD2 3.82Å; N218-W221 HydrophobicContact CB-CE3 4.48Å; N218-W221 HydrophobicContact CB-CG 3.91Å; N218-W221 HydrophobicContact CB-CZ2 4.19Å; N218-W221 WeakPolarHBondContact O-CB 3.22Å; N218-W221 PolarHBondContact O-N 2.91Å; L219-W221 PolarHBondContact O-N 2.87Å; W221-R225 HydrophobicContact CB-CB 4.18Å; W221-R225 HydrophobicContact CB-CG 4.23Å; W221-R225 HydrophobicContact CD2-CG 3.9Å; W221-R225 HydrophobicContact CE3-CG 4Å; W221-R225 HydrophobicContact CG-CG 4.04Å; W221-K226 HydrophobicContact CB-CG 3.94Å; W221-K226 WeakPolarHBondContact O-CE 3.5Å; W221-Y229 AromaticContact CH2-CD2 3.87Å; W221-Y229 HydrophobicContact CH2-CD2 3.87Å; W221-Y229 HydrophobicContact CH2-CE2 4.24Å; W221-Y229 HydrophobicContact CH2-CG 4.37Å; W221-Y229 HydrophobicContact CZ3-CD1 4.37Å; W221-Y229 AromaticContact CZ3-CD2 3.63Å; W221-Y229 HydrophobicContact CZ3-CD2 3.63Å; W221-Y229 HydrophobicContact CZ3-CE2 4.29Å; W221-Y229 AromaticContact CZ3-CG 3.67Å; W221-Y229 HydrophobicContact CZ3-CG 3.67Å
222S82.1Confident81Confident71 Ų7170.3 Ų70.350%0.49734%0.34SS..  trans-57.8151.416864.60000110.5E224 R225 K226S222-E224 PolarHBondContact O-N 3.14Å; S222-R225 WeakPolarHBondContact O-CA 3.49Å; S222-R225 WeakPolarHBondContact O-CB 3.41Å; S222-R225 PolarHBondContact O-N 3.45Å; S222-R225 WeakPolarHBondContact OG-CB 3.28Å; S222-R225 PolarHBondContact OG-N 2.66Å; S222-K226 PolarHBondContact O-N 3.12Å
223E80.8Confident79.9Confident132 Ų13270.9 Ų70.962%0.61734%0.344SS*.Hα-helixtrans-56.7-39.3-179.3-164.556.4-146.900112R225 K226 V227E223-R225 VanDerWaalsContact C-N 3.32Å; E223-R225 PolarHBondContact O-N 2.91Å; E223-K226 PolarHBondContact O-N 3.21Å; E223-V227 WeakPolarHBondContact O-CG2 3.5Å; E223-V227 PolarHBondContact O-N 3.43Å
224E79.9Confident79.1Confident144 Ų14473.9 Ų73.967%0.67336%0.361SS*.Hα-helixtrans-58.3-42.6174-175.3-177.9-174.100112.4S222 V227 N228S222-E224 PolarHBondContact O-N 3.14Å; E224-V227 PolarHBondContact O-N 2.81Å; E224-N228 WeakPolarHBondContact O-CB 3.4Å; E224-N228 VanDerWaalsContact O-CG 3.3Å; E224-N228 PolarHBondContact O-N 3.43Å; E224-N228 PolarHBondContact O-ND2 3.3Å
225R78.3Confident78.3Confident137 Ų13780.1 Ų80.152%0.51738%0.384SS..Hα-helixtrans-69.2-37.3178.6-173.3174.4-176.1176.64.4111.5W221 S222 E223 N228 Y229W221-R225 HydrophobicContact CB-CB 4.18Å; W221-R225 HydrophobicContact CB-CG 4.23Å; W221-R225 HydrophobicContact CD2-CG 3.9Å; W221-R225 HydrophobicContact CE3-CG 4Å; W221-R225 HydrophobicContact CG-CG 4.04Å; S222-R225 WeakPolarHBondContact O-CA 3.49Å; S222-R225 WeakPolarHBondContact O-CB 3.41Å; S222-R225 PolarHBondContact O-N 3.45Å; S222-R225 WeakPolarHBondContact OG-CB 3.28Å; S222-R225 PolarHBondContact OG-N 2.66Å; E223-R225 VanDerWaalsContact C-N 3.32Å; E223-R225 PolarHBondContact O-N 2.91Å; R225-N228 PolarHBondContact O-N 3.08Å; R225-Y229 WeakPolarHBondContact O-CB 3.43Å; R225-Y229 PolarHBondContact O-N 2.92Å
226K76.2Confident77.8Confident37 Ų3780.9 Ų80.916%0.16139%0.388CS..Hα-helixtrans-61.9-49.4173-63-174.8178163.80111V217 N218 L219 W221 S222 E223 N228 Y229 V230V217-K226 HydrophobicContact CG1-CB 4.08Å; V217-K226 HydrophobicContact CG1-CD 4.05Å; V217-K226 HydrophobicContact CG1-CG 3.6Å; N218-K226 WeakPolarHBondContact O-CE 3.03Å; L219-K226 PolarHBondContact O-NZ 3.05Å; L219-K226 VanDerWaalsContact O-NZ 3.1Å; W221-K226 HydrophobicContact CB-CG 3.94Å; W221-K226 WeakPolarHBondContact O-CE 3.5Å; S222-K226 PolarHBondContact O-N 3.12Å; E223-K226 PolarHBondContact O-N 3.21Å; K226-N228 VanDerWaalsContact C-N 3.34Å; K226-N228 PolarHBondContact O-N 3.42Å; K226-Y229 PolarHBondContact O-N 3.04Å; K226-V230 WeakPolarHBondContact O-CG2 3.03Å; K226-V230 PolarHBondContact O-N 3.33Å
227V76.9Confident77.7Confident54 Ų5479.7 Ų79.733%0.32738%0.381SS..Hα-helixtrans-58.7-44.9176.6171.10000111E223 E224 V230 R231E223-V227 WeakPolarHBondContact O-CG2 3.5Å; E223-V227 PolarHBondContact O-N 3.43Å; E224-V227 PolarHBondContact O-N 2.81Å; V227-V230 PolarHBondContact O-N 2.65Å; V227-R231 WeakPolarHBondContact O-CB 3.2Å; V227-R231 VanDerWaalsContact O-CG 3.32Å; V227-R231 WeakPolarHBondContact O-CG 3.37Å; V227-R231 PolarHBondContact O-N 2.88Å
228N75.7Confident78Confident53 Ų5383.4 Ų83.428%0.28340%0.401SS..Hα-helixtrans-64.7-39.1177.1-75.7-25.2000112.5E224 R225 K226 R231 H232E224-N228 WeakPolarHBondContact O-CB 3.4Å; E224-N228 VanDerWaalsContact O-CG 3.3Å; E224-N228 PolarHBondContact O-N 3.43Å; E224-N228 PolarHBondContact O-ND2 3.3Å; R225-N228 PolarHBondContact O-N 3.08Å; K226-N228 VanDerWaalsContact C-N 3.34Å; K226-N228 PolarHBondContact O-N 3.42Å; N228-R231 PolarHBondContact O-N 3.27Å; N228-R231 PolarHBondContact OD1-NH1 3.43Å; N228-H232 PolarHBondContact O-N 3.24Å; N228-H232 PolarHBondContact O-ND1 3.49Å
229Y74.9Confident78.5Confident45 Ų4581.2 Ų81.218%0.17639%0.388CS..Hα-helixtrans-63-47.2174.7-179.3-95.3000111.9H215 V217 W221 R225 K226 R231 H232 A233 F262H215-Y229 HydrophobicContact CB-CE1 4.49Å; H215-Y229 PolarHBondContact ND1-OH 3.43Å; V217-Y229 HydrophobicContact CG2-CD1 3.68Å; V217-Y229 HydrophobicContact CG2-CE1 3.86Å; W221-Y229 AromaticContact CH2-CD2 3.87Å; W221-Y229 HydrophobicContact CH2-CD2 3.87Å; W221-Y229 HydrophobicContact CH2-CE2 4.24Å; W221-Y229 HydrophobicContact CH2-CG 4.37Å; W221-Y229 HydrophobicContact CZ3-CD1 4.37Å; W221-Y229 AromaticContact CZ3-CD2 3.63Å; W221-Y229 HydrophobicContact CZ3-CD2 3.63Å; W221-Y229 HydrophobicContact CZ3-CE2 4.29Å; W221-Y229 AromaticContact CZ3-CG 3.67Å; W221-Y229 HydrophobicContact CZ3-CG 3.67Å; R225-Y229 WeakPolarHBondContact O-CB 3.43Å; R225-Y229 PolarHBondContact O-N 2.92Å; K226-Y229 PolarHBondContact O-N 3.04Å; Y229-R231 VanDerWaalsContact C-N 3.32Å; Y229-R231 PolarHBondContact O-N 2.99Å; Y229-H232 PolarHBondContact O-N 3.1Å; Y229-H232 VanDerWaalsContact O-N 3.15Å; Y229-A233 PolarHBondContact O-N 3.43Å; Y229-F262 AromaticContact CE1-CE1 3.87Å; Y229-F262 HydrophobicContact CE1-CE1 3.87Å; Y229-F262 HydrophobicContact CE1-CZ 4.45Å
230V74.2Confident79.2Confident63 Ų6376 Ų7638%0.38236%0.361SS..Hα-helixtrans-60.9-41.7176.6173.50000110.9K226 V227 H232 A233 I234K226-V230 WeakPolarHBondContact O-CG2 3.03Å; K226-V230 PolarHBondContact O-N 3.33Å; V227-V230 PolarHBondContact O-N 2.65Å; V230-H232 PolarHBondContact O-N 3.32Å; V230-A233 PolarHBondContact O-N 2.59Å; V230-I234 HydrophobicContact CG1-CD1 3.84Å; V230-I234 HydrophobicContact CG1-CG1 4.42Å; V230-I234 VanDerWaalsContact O-CG1 3.29Å; V230-I234 WeakPolarHBondContact O-CG1 3.36Å; V230-I234 PolarHBondContact O-N 2.91Å
231R75Confident79.7Confident154 Ų15475.7 Ų75.758%0.58135%0.353SS*.Hα-helixtrans-59.4-43.9173.2-74.6177-167.9155.3-2.5112.4V227 N228 Y229 I234 R235V227-R231 WeakPolarHBondContact O-CB 3.2Å; V227-R231 VanDerWaalsContact O-CG 3.32Å; V227-R231 WeakPolarHBondContact O-CG 3.37Å; V227-R231 PolarHBondContact O-N 2.88Å; N228-R231 PolarHBondContact O-N 3.27Å; N228-R231 PolarHBondContact OD1-NH1 3.43Å; Y229-R231 VanDerWaalsContact C-N 3.32Å; Y229-R231 PolarHBondContact O-N 2.99Å; R231-I234 PolarHBondContact O-N 2.8Å; R231-R235 PolarHBondContact O-N 3.05Å
232H74.1Confident80.2Confident99 Ų9977.9 Ų77.946%0.45837%0.373SS..Hα-helixtrans-63.9-42.2176.9-76103.5000111.8N228 Y229 V230 R235 E236N228-H232 PolarHBondContact O-N 3.24Å; N228-H232 PolarHBondContact O-ND1 3.49Å; Y229-H232 PolarHBondContact O-N 3.1Å; Y229-H232 VanDerWaalsContact O-N 3.15Å; V230-H232 PolarHBondContact O-N 3.32Å; H232-R235 PolarHBondContact O-N 3.31Å; H232-E236 PolarHBondContact O-N 3.29Å
233A74.4Confident80.9Confident11 Ų1174.9 Ų74.99%0.09135%0.351CS..Hα-helixtrans-62.9-41.7176.200000113.2Y229 V230 R235 E236 K237 F262Y229-A233 PolarHBondContact O-N 3.43Å; V230-A233 PolarHBondContact O-N 2.59Å; A233-R235 VanDerWaalsContact C-N 3.34Å; A233-E236 PolarHBondContact O-N 3.24Å; A233-K237 WeakPolarHBondContact O-CB 3.2Å; A233-K237 PolarHBondContact O-N 3.38Å; A233-F262 HydrophobicContact CB-CE1 3.61Å; A233-F262 HydrophobicContact CB-CE2 3.94Å; A233-F262 HydrophobicContact CB-CZ 3.17Å
234I75.8Confident81.6Confident86 Ų8673.8 Ų73.844%0.44135%0.349SS..Hα-helixtrans-62.6-43.9174.5-68.9166.4000110.1V230 R231 K237 D238V230-I234 HydrophobicContact CG1-CD1 3.84Å; V230-I234 HydrophobicContact CG1-CG1 4.42Å; V230-I234 VanDerWaalsContact O-CG1 3.29Å; V230-I234 WeakPolarHBondContact O-CG1 3.36Å; V230-I234 PolarHBondContact O-N 2.91Å; R231-I234 PolarHBondContact O-N 2.8Å; I234-K237 WeakPolarHBondContact O-CB 3.41Å; I234-K237 PolarHBondContact O-N 3.09Å; I234-D238 VanDerWaalsContact O-CG 3.28Å; I234-D238 PolarHBondContact O-N 3.19Å
235R76.6Confident82.4Confident135 Ų13567.9 Ų67.951%0.50932%0.322SS..Hα-helixtrans-63.3-44.3176179.6177.4-88.7149.5-7.6112.2R231 H232 A233 K237 D238 I239R231-R235 PolarHBondContact O-N 3.05Å; H232-R235 PolarHBondContact O-N 3.31Å; A233-R235 VanDerWaalsContact C-N 3.34Å; R235-K237 VanDerWaalsContact C-N 3.3Å; R235-K237 PolarHBondContact O-N 3.43Å; R235-D238 PolarHBondContact O-N 3.33Å; R235-I239 HydrophobicContact CG-CD1 3.93Å; R235-I239 HydrophobicContact CG-CG1 4.44Å; R235-I239 VanDerWaalsContact O-CG1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.49Å; R235-I239 PolarHBondContact O-N 3.37Å
236E78.8Confident83.3Confident23 Ų2364.3 Ų64.311%0.10732%0.317CS..Hα-helixtrans-53.4-49.6173.2174.1-179179.100110.2K213 H232 A233 D238 H240 G337K213-E236 IonicContact NZ-OE1 3.8Å; K213-E236 PolarHBondContact NZ-OE1 3.02Å; H232-E236 PolarHBondContact O-N 3.29Å; A233-E236 PolarHBondContact O-N 3.24Å; E236-D238 PolarHBondContact O-N 2.92Å; E236-H240 VanDerWaalsContact O-CB 3.25Å; E236-H240 WeakPolarHBondContact O-CB 3.06Å; E236-H240 PolarHBondContact O-N 3.12Å; E236-G337 WeakPolarHBondContact OE2-CA 3.37Å
237K83.1Confident84.3Confident66 Ų6663.7 Ų63.729%0.28731%0.313SS..Hα-helixtrans-57.4-50.2176.3165.3-163.7168.1-164.50111.9A233 I234 R235 I239 H240 K241 V254A233-K237 WeakPolarHBondContact O-CB 3.2Å; A233-K237 PolarHBondContact O-N 3.38Å; I234-K237 WeakPolarHBondContact O-CB 3.41Å; I234-K237 PolarHBondContact O-N 3.09Å; R235-K237 VanDerWaalsContact C-N 3.3Å; R235-K237 PolarHBondContact O-N 3.43Å; K237-I239 VanDerWaalsContact C-N 3.33Å; K237-I239 PolarHBondContact O-N 2.88Å; K237-H240 PolarHBondContact O-N 3.18Å; K237-K241 WeakPolarHBondContact O-CB 3.45Å; K237-K241 PolarHBondContact O-N 3.14Å; K237-V254 HydrophobicContact CB-CG2 4.19Å; K237-V254 HydrophobicContact CD-CB 3.91Å; K237-V254 HydrophobicContact CD-CG1 4.05Å; K237-V254 HydrophobicContact CD-CG2 3.96Å; K237-V254 HydrophobicContact CG-CB 4.25Å; K237-V254 HydrophobicContact CG-CG2 3.72Å
238D86.5Confident85.3Confident90 Ų9061.1 Ų61.148%0.48130%0.298SS..Hα-helixtrans-67-38.4-172.4-69.8-22.1000111.4I234 R235 E236I234-D238 VanDerWaalsContact O-CG 3.28Å; I234-D238 PolarHBondContact O-N 3.19Å; R235-D238 PolarHBondContact O-N 3.33Å; E236-D238 PolarHBondContact O-N 2.92Å
239I87.7Confident86.3Confident11 Ų1158.7 Ų58.76%0.05629%0.285CS..Hα-helixtrans-60.9-58.3170.8-63169.2000109.2R235 K237 K241 S242 L243 V310 A339 V341R235-I239 HydrophobicContact CG-CD1 3.93Å; R235-I239 HydrophobicContact CG-CG1 4.44Å; R235-I239 VanDerWaalsContact O-CG1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.49Å; R235-I239 PolarHBondContact O-N 3.37Å; K237-I239 VanDerWaalsContact C-N 3.33Å; K237-I239 PolarHBondContact O-N 2.88Å; I239-K241 VanDerWaalsContact C-N 3.34Å; I239-K241 PolarHBondContact O-N 3.4Å; I239-S242 PolarHBondContact O-N 2.94Å; I239-S242 VanDerWaalsContact O-N 3.11Å; I239-S242 PolarHBondContact O-OG 3.34Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-V310 HydrophobicContact CG2-CG1 3.93Å; I239-V310 HydrophobicContact CG2-CG2 3.97Å; I239-A339 HydrophobicContact CD1-CB 4.26Å; I239-A339 HydrophobicContact CG2-CB 4.44Å; I239-V341 HydrophobicContact CD1-CG2 3.48Å; I239-V341 VanDerWaalsContact CD1-CG2 3.48Å; I239-V341 HydrophobicContact CG1-CG2 3.43Å; I239-V341 VanDerWaalsContact CG1-CG2 3.43Å
240H92.4Very high87.3Confident4 Ų460.4 Ų60.42%0.01929%0.293CS..Hα-helixtrans-65.4-35.6-170.5-164.7176.2000112.7E236 K237 S242 L243 V249 L251E236-H240 VanDerWaalsContact O-CB 3.25Å; E236-H240 WeakPolarHBondContact O-CB 3.06Å; E236-H240 PolarHBondContact O-N 3.12Å; K237-H240 PolarHBondContact O-N 3.18Å; H240-S242 PolarHBondContact O-N 2.81Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 3.14Å; H240-V249 PolarHBondContact NE2-O 2.82Å; H240-L251 HydrophobicContact CB-CB 4.45Å; H240-L251 HydrophobicContact CB-CD1 3.88Å
241K90.9Very high88.3Confident143 Ų14358.6 Ų58.662%0.62228%0.281SS*.Hα-helixtrans-60.4-30.5176.1-174.6176179.1-179.10112.9K237 I239 L243 L251K237-K241 WeakPolarHBondContact O-CB 3.45Å; K237-K241 PolarHBondContact O-N 3.14Å; I239-K241 VanDerWaalsContact C-N 3.34Å; I239-K241 PolarHBondContact O-N 3.4Å; K241-L243 VanDerWaalsContact C-N 3.31Å; K241-L251 HydrophobicContact CB-CD2 4.15Å; K241-L251 HydrophobicContact CG-CD2 4.37Å
242S89.8Confident89.2Confident78 Ų7854.2 Ų54.255%0.54527%0.267SS..Hα-helixtrans-78.9-14.9177.176.20000113.5I239 H240I239-S242 PolarHBondContact O-N 2.94Å; I239-S242 VanDerWaalsContact O-N 3.11Å; I239-S242 PolarHBondContact O-OG 3.34Å; H240-S242 PolarHBondContact O-N 2.81Å
243L95.8Very high90.1Very high8 Ų852.1 Ų52.14%0.04226%0.259CS..  trans-83128.7-175.8-53.5-177.8000111.5I239 H240 K241 V248 Y302 L303 I306 F336I239-L243 WeakPolarHBondContact O-CG 3.33Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 3.14Å; K241-L243 VanDerWaalsContact C-N 3.31Å; L243-V248 HydrophobicContact CB-CG1 4.19Å; L243-V248 HydrophobicContact CD1-CG1 4.17Å; L243-Y302 WeakPolarHBondContact CA-OH 3.5Å; L243-Y302 HydrophobicContact CB-CE1 4.44Å; L243-Y302 HydrophobicContact CD2-CE1 4.21Å; L243-L303 HydrophobicContact CD1-CD2 3.94Å; L243-L303 HydrophobicContact CD2-CD2 3.81Å; L243-L303 HydrophobicContact CG-CD2 4.48Å; L243-I306 HydrophobicContact CD2-CD1 3.43Å; L243-I306 VanDerWaalsContact CD2-CD1 3.43Å; L243-F336 HydrophobicContact CD1-CD1 3.73Å; L243-F336 HydrophobicContact CD1-CD2 4.26Å; L243-F336 HydrophobicContact CD1-CE1 3.4Å; L243-F336 HydrophobicContact CD1-CE2 3.99Å; L243-F336 HydrophobicContact CD1-CG 4.16Å; L243-F336 HydrophobicContact CD1-CZ 3.55Å
244N95.8Very high90.9Very high108 Ų10853.2 Ų53.258%0.57826%0.264SS*.  trans-145.795.1176.4-176.923.4000110.2Y302N244-Y302 PolarHBondContact N-OH 3.44Å
245H97.5Very high91.6Very high20 Ų2050.2 Ų50.29%0.09325%0.248CC..  trans-148.9143.3179.2-178.2-96.7000110R247 V248 Y302H245-R247 PolarHBondContact ND1-N 2.92Å; H245-R247 VanDerWaalsContact ND1-N 3.11Å; H245-R247 PolarHBondContact O-N 3.26Å; H245-V248 HydrophobicContact CB-CB 4.26Å; H245-V248 HydrophobicContact CB-CG2 4.08Å; H245-V248 PolarHBondContact O-N 2.89Å; H245-Y302 HydrophobicContact CB-CD1 3.49Å; H245-Y302 VanDerWaalsContact CB-CD1 3.49Å; H245-Y302 HydrophobicContact CB-CD2 4.16Å; H245-Y302 HydrophobicContact CB-CE1 3.63Å; H245-Y302 HydrophobicContact CB-CE2 4.29Å; H245-Y302 HydrophobicContact CB-CG 3.77Å; H245-Y302 AromaticContact CD2-CD2 3.98Å; H245-Y302 AromaticContact CD2-CG 3.66Å; H245-Y302 AromaticContact CG-CD1 3.85Å; H245-Y302 AromaticContact CG-CG 3.76Å
246P96.4Very high92.2Very high63 Ų6348.5 Ų48.541%0.40925%0.253SS..THydrogen-bonded Turntrans-57.9-25.6-177.821-35.2000114.5K332P246-K332 PolarHBondContact O-NZ 3.37Å
247R97.8Very high92.6Very high23 Ų2349.7 Ų49.79%0.08726%0.259CS..THydrogen-bonded Turntrans-99.515.7179.1-51.8-59.2169.5-134.34.6114.2H245 Q295 A299 E330 I331 K332 I333H245-R247 PolarHBondContact ND1-N 2.92Å; H245-R247 VanDerWaalsContact ND1-N 3.11Å; H245-R247 PolarHBondContact O-N 3.26Å; R247-Q295 HydrophobicContact CG-CB 4.27Å; R247-Q295 VanDerWaalsContact CZ-OE1 3.22Å; R247-A299 HydrophobicContact CB-CB 3.78Å; R247-E330 IonicContact CZ-OE1 3.3Å; R247-E330 IonicContact CZ-OE2 3.91Å; R247-E330 IonicContact NH1-OE1 2.69Å; R247-E330 PolarHBondContact NH1-OE1 3.01Å; R247-E330 IonicContact NH1-OE2 3.27Å; R247-E330 PolarHBondContact NH1-OE2 3.29Å; R247-E330 VanDerWaalsContact NH2-CD 3.29Å; R247-E330 IonicContact NH2-OE1 3.88Å; R247-E330 PolarHBondContact NH2-OE1 2.81Å; R247-E330 IonicContact NH2-OE2 2.83Å; R247-I331 HydrophobicContact CB-CD1 4.19Å; R247-I331 WeakPolarHBondContact CD-O 3.4Å; R247-K332 WeakPolarHBondContact O-CA 3.27Å; R247-I333 PolarHBondContact O-N 2.76Å
248V97.7Very high92.8Very high1 Ų150.2 Ų50.21%0.00627%0.265CS..BIsolated β-bridgetrans-126.6132.8174176.90000107.6L243 H245 K250 A299 Y302 F336L243-V248 HydrophobicContact CB-CG1 4.19Å; L243-V248 HydrophobicContact CD1-CG1 4.17Å; H245-V248 HydrophobicContact CB-CB 4.26Å; H245-V248 HydrophobicContact CB-CG2 4.08Å; H245-V248 PolarHBondContact O-N 2.89Å; V248-K250 PolarHBondContact O-N 2.91Å; V248-A299 HydrophobicContact CG2-CB 4.35Å; V248-Y302 HydrophobicContact CG2-CD1 4.47Å; V248-F336 HydrophobicContact CG1-CE2 3.68Å; V248-F336 HydrophobicContact CG1-CZ 3.68Å; V248-F336 HydrophobicContact CG2-CZ 4.46Å
249V96.6Very high92.5Very high1 Ų152.6 Ų52.61%0.00628%0.283CS..PPolyproline II helixtrans-58.8132174.3167.60000108.9H240 L266 E267 L321 K332 I333H240-V249 PolarHBondContact NE2-O 2.82Å; V249-L266 HydrophobicContact CG1-CB 3.87Å; V249-L266 HydrophobicContact CG1-CD2 4.31Å; V249-L266 HydrophobicContact CG1-CG 4.48Å; V249-E267 HydrophobicContact CG1-CB 4.06Å; V249-L321 HydrophobicContact CG2-CD1 3.8Å; V249-K332 HydrophobicContact CG2-CB 3.78Å; V249-K332 HydrophobicContact CG2-CD 4.48Å; V249-I333 PolarHBondContact N-O 2.93Å
250K95.8Very high92.3Very high81 Ų8154.4 Ų54.435%0.35229%0.293SS..PPolyproline II helixtrans-77.3140.4175.8-63.7-178.3177.3-1790111.5V248 F252 L266 E267V248-K250 PolarHBondContact O-N 2.91Å; K250-F252 HydrophobicContact CB-CD1 4.27Å; K250-F252 HydrophobicContact CB-CE1 3.8Å; K250-F252 HydrophobicContact CB-CZ 4.33Å; K250-F252 HydrophobicContact CD-CE1 4.15Å; K250-L266 CarbonylContact O-C 3.38Å; K250-L266 WeakPolarHBondContact O-CA 3.45Å; K250-E267 HydrophobicContact CB-CB 4.11Å; K250-E267 PolarHBondContact N-OE2 3.02Å; K250-E267 VanDerWaalsContact N-OE2 3.14Å; K250-E267 PolarHBondContact O-N 2.86Å
251L95.1Very high92.1Very high26 Ų2654.8 Ų54.814%0.13630%0.296CS..EExtended strand (participates in β ladder)trans-89.2122.4163.3-178.2154.9000108.4H240 K241 V254 T264 L266H240-L251 HydrophobicContact CB-CB 4.45Å; H240-L251 HydrophobicContact CB-CD1 3.88Å; K241-L251 HydrophobicContact CB-CD2 4.15Å; K241-L251 HydrophobicContact CG-CD2 4.37Å; L251-V254 HydrophobicContact CD1-CG2 3.94Å; L251-V254 HydrophobicContact CD2-CG2 4.15Å; L251-V254 HydrophobicContact CG-CG2 4.33Å; L251-T264 HydrophobicContact CD1-CG2 3.91Å; L251-T264 HydrophobicContact CG-CG2 4.29Å; L251-L266 HydrophobicContact CB-CD2 4.18Å; L251-L266 HydrophobicContact CG-CD2 4.44Å
252F94.9Very high91.9Very high62 Ų6249.2 Ų49.227%0.27227%0.271SS..EExtended strand (participates in β ladder)trans-95-42.1178.8-65.5-38.9000112.5R208 V210 K250 V265 E267R208-F252 VanDerWaalsContact NH2-CG 3.28Å; V210-F252 HydrophobicContact CG1-CD2 3.78Å; V210-F252 HydrophobicContact CG1-CE2 4Å; K250-F252 HydrophobicContact CB-CD1 4.27Å; K250-F252 HydrophobicContact CB-CE1 3.8Å; K250-F252 HydrophobicContact CB-CZ 4.33Å; K250-F252 HydrophobicContact CD-CE1 4.15Å; F252-V265 HydrophobicContact CB-CG1 4.24Å; F252-V265 PolarHBondContact N-O 2.87Å; F252-E267 HydrophobicContact CE2-CB 4.08Å; F252-E267 HydrophobicContact CZ-CB 3.96Å; F252-E267 HydrophobicContact CZ-CG 4.46Å
253D93.1Very high92.1Very high55 Ų5545.5 Ų45.529%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-157.8158.1-172.7-1649.2000111.6Y184 V265Y184-D253 WeakPolarHBondContact CE2-OD2 3.31Å; Y184-D253 VanDerWaalsContact OH-CB 3.24Å; Y184-D253 WeakPolarHBondContact OH-CB 3.47Å; Y184-D253 PolarHBondContact OH-OD2 3.45Å; D253-V265 HydrophobicContact CB-CB 3.91Å; D253-V265 HydrophobicContact CB-CG2 3.97Å; D253-V265 PolarHBondContact N-O 2.86Å; D253-V265 PolarHBondContact O-N 2.85Å
254V91.2Very high91.9Very high34 Ų3445.4 Ų45.421%0.20625%0.245CC..EExtended strand (participates in β ladder)trans-143.8125.5169.8-178.30000109.3K237 L251 F262 C263 T264K237-V254 HydrophobicContact CB-CG2 4.19Å; K237-V254 HydrophobicContact CD-CB 3.91Å; K237-V254 HydrophobicContact CD-CG1 4.05Å; K237-V254 HydrophobicContact CD-CG2 3.96Å; K237-V254 HydrophobicContact CG-CB 4.25Å; K237-V254 HydrophobicContact CG-CG2 3.72Å; L251-V254 HydrophobicContact CD1-CG2 3.94Å; L251-V254 HydrophobicContact CD2-CG2 4.15Å; L251-V254 HydrophobicContact CG-CG2 4.33Å; V254-F262 HydrophobicContact CG1-CD2 4.33Å; V254-C263 VanDerWaalsContact CA-O 3.32Å; V254-C263 WeakPolarHBondContact CA-O 3.12Å; V254-T264 HydrophobicContact CG2-CG2 4.1Å
255F90.6Very high91.9Very high23 Ų2340.3 Ų40.310%0.10122%0.218CC..EExtended strand (participates in β ladder)trans-140.2151.7179.260-94.3000111.9F181 H182 Y184 I257 F262 C263 V265F181-F255 HydrophobicContact CB-CE2 3.65Å; F181-F255 HydrophobicContact CB-CZ 3.65Å; F181-F255 HydrophobicContact CG-CE2 4.29Å; H182-F255 AromaticContact CD2-CD2 3.39Å; H182-F255 WeakPolarHBondContact CD2-CD2 3.03Å; H182-F255 AromaticContact CD2-CE2 3.73Å; H182-F255 AromaticContact CD2-CG 3.56Å; H182-F255 AromaticContact NE2-CD2 3.63Å; H182-F255 AromaticContact NE2-CG 3.86Å; Y184-F255 HydrophobicContact CD2-CD1 4.43Å; Y184-F255 AromaticContact CD2-CE1 3.47Å; Y184-F255 HydrophobicContact CD2-CE1 3.47Å; Y184-F255 VanDerWaalsContact CD2-CE1 3.47Å; Y184-F255 AromaticContact CD2-CZ 3.91Å; Y184-F255 HydrophobicContact CD2-CZ 3.91Å; Y184-F255 HydrophobicContact CE2-CD1 4.06Å; Y184-F255 AromaticContact CE2-CE1 3.48Å; Y184-F255 HydrophobicContact CE2-CE1 3.48Å; Y184-F255 VanDerWaalsContact CE2-CE1 3.48Å; Y184-F255 HydrophobicContact CE2-CZ 4.36Å; F255-I257 HydrophobicContact CD2-CG1 4.25Å; F255-I257 HydrophobicContact CE2-CG1 3.8Å; F255-F262 CarbonylContact O-C 3.57Å; F255-F262 WeakPolarHBondContact O-CA 3.47Å; F255-F262 WeakPolarHBondContact O-CB 3.41Å; F255-C263 HydrophobicContact CD1-CB 4.44Å; F255-C263 HydrophobicContact CD2-CB 4.12Å; F255-C263 HydrophobicContact CE1-CB 3.9Å; F255-C263 HydrophobicContact CE2-CB 3.53Å; F255-C263 HydrophobicContact CZ-CB 3.42Å; F255-C263 VanDerWaalsContact CZ-CB 3.42Å; F255-C263 PolarHBondContact N-O 3.14Å; F255-C263 VanDerWaalsContact N-O 3.08Å; F255-C263 PolarHBondContact O-N 3.41Å; F255-V265 HydrophobicContact CD1-CG2 4.28Å; F255-V265 HydrophobicContact CE1-CG2 3.62Å
256T88.1Confident91.8Very high99 Ų9940 Ų4061%0.60722%0.217SC*.EExtended strand (participates in β ladder)trans-78.4131.7173.1-56.60000109.4D258T256-D258 WeakPolarHBondContact CG2-O 3.46Å
257I88.5Confident91.8Very high48 Ų4839 Ų3925%0.24621%0.207CC..EExtended strand (participates in β ladder)trans-87.7-49.1173.4-67.7162.2000109.1F181 I214 F255 S261 C263F181-I257 HydrophobicContact CD1-CG1 4.22Å; F181-I257 HydrophobicContact CD1-CG2 4.18Å; F181-I257 HydrophobicContact CD2-CD1 4.28Å; F181-I257 HydrophobicContact CE1-CD1 4.35Å; F181-I257 HydrophobicContact CE1-CG1 4.28Å; F181-I257 HydrophobicContact CE1-CG2 3.7Å; F181-I257 HydrophobicContact CE2-CD1 4.05Å; F181-I257 HydrophobicContact CG-CG1 4.38Å; F181-I257 HydrophobicContact CZ-CD1 4.08Å; F181-I257 HydrophobicContact CZ-CG2 4.24Å; I214-I257 HydrophobicContact CG1-CD1 4.18Å; I214-I257 HydrophobicContact CG2-CD1 3.86Å; F255-I257 HydrophobicContact CD2-CG1 4.25Å; F255-I257 HydrophobicContact CE2-CG1 3.8Å; I257-S261 WeakPolarHBondContact CB-OG 3.43Å; I257-S261 PolarHBondContact N-O 3.04Å; I257-C263 HydrophobicContact CD1-CB 3.85Å; I257-C263 HydrophobicContact CG1-CB 4.19Å
258D86.4Confident91.7Very high76 Ų7640.5 Ų40.541%0.40621%0.213SC..EExtended strand (participates in β ladder)trans-152-173.9176.664.657.6000111.2T256 N260 S261T256-D258 WeakPolarHBondContact CG2-O 3.46Å; D258-N260 PolarHBondContact O-N 3.25Å; D258-N260 VanDerWaalsContact O-N 3.12Å; D258-N260 WeakPolarHBondContact OD1-CA 3.42Å; D258-N260 PolarHBondContact OD1-N 3.25Å; D258-S261 PolarHBondContact N-O 2.92Å; D258-S261 PolarHBondContact O-N 3.27Å; D258-S261 VanDerWaalsContact O-O 3.06Å; D258-S261 PolarHBondContact OD1-N 3.19Å; D258-S261 PolarHBondContact OD1-OG 3.31Å; D258-S261 PolarHBondContact OD2-OG 2.94Å
259V80.4Confident91.5Very high141 Ų14141.5 Ų41.586%0.85522%0.219SC*.THydrogen-bonded Turntrans-56.6-25.6-179.3-84.70000114.9
260N83.2Confident91.1Very high49 Ų4946.1 Ų46.126%0.26224%0.244SC..THydrogen-bonded Turntrans-120.65.2-175.5-60.4-57.4000113.1V217 L219 D258V217-N260 HydrophobicContact CB-CB 4.33Å; V217-N260 WeakPolarHBondContact CB-O 3.41Å; V217-N260 WeakPolarHBondContact CG2-O 3.38Å; V217-N260 PolarHBondContact N-O 3.33Å; L219-N260 HydrophobicContact CD2-CB 4.32Å; L219-N260 WeakPolarHBondContact CD2-ND2 3.33Å; D258-N260 PolarHBondContact O-N 3.25Å; D258-N260 VanDerWaalsContact O-N 3.12Å; D258-N260 WeakPolarHBondContact OD1-CA 3.42Å; D258-N260 PolarHBondContact OD1-N 3.25Å
261S87.8Confident90.6Very high12 Ų1242.7 Ų42.78%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-144.9144.4-177.476.50000113.7H215 I257 D258H215-S261 VanDerWaalsContact O-CA 3.23Å; H215-S261 WeakPolarHBondContact O-CA 3.31Å; H215-S261 WeakPolarHBondContact O-CB 3.28Å; I257-S261 WeakPolarHBondContact CB-OG 3.43Å; I257-S261 PolarHBondContact N-O 3.04Å; D258-S261 PolarHBondContact N-O 2.92Å; D258-S261 PolarHBondContact O-N 3.27Å; D258-S261 VanDerWaalsContact O-O 3.06Å; D258-S261 PolarHBondContact OD1-N 3.19Å; D258-S261 PolarHBondContact OD1-OG 3.31Å; D258-S261 PolarHBondContact OD2-OG 2.94Å
262F88.2Confident90.4Very high25 Ų2544.5 Ų44.511%0.1124%0.242CC..EExtended strand (participates in β ladder)trans-141.5159.5176.269.4-89.7000110.5H215 Y229 A233 V254 F255H215-F262 HydrophobicContact CB-CD1 3.86Å; H215-F262 HydrophobicContact CB-CD2 4.21Å; H215-F262 HydrophobicContact CB-CE1 3.38Å; H215-F262 HydrophobicContact CB-CE2 3.76Å; H215-F262 HydrophobicContact CB-CG 4.24Å; H215-F262 HydrophobicContact CB-CZ 3.29Å; H215-F262 AromaticContact CD2-CD2 3.88Å; H215-F262 AromaticContact CD2-CE2 3.21Å; H215-F262 WeakPolarHBondContact CD2-CE2 3.24Å; H215-F262 AromaticContact CD2-CZ 3.54Å; H215-F262 AromaticContact CE1-CZ 3.94Å; H215-F262 AromaticContact CG-CE1 3.87Å; H215-F262 AromaticContact CG-CE2 3.42Å; H215-F262 VanDerWaalsContact CG-CE2 3.42Å; H215-F262 AromaticContact CG-CZ 3.18Å; H215-F262 PolarHBondContact N-O 2.95Å; H215-F262 AromaticContact ND1-CE2 3.94Å; H215-F262 AromaticContact ND1-CZ 3.48Å; H215-F262 WeakPolarHBondContact ND1-CZ 3.49Å; H215-F262 AromaticContact NE2-CE2 3.68Å; H215-F262 PolarHBondContact O-N 2.63Å; Y229-F262 AromaticContact CE1-CE1 3.87Å; Y229-F262 HydrophobicContact CE1-CE1 3.87Å; Y229-F262 HydrophobicContact CE1-CZ 4.45Å; A233-F262 HydrophobicContact CB-CE1 3.61Å; A233-F262 HydrophobicContact CB-CE2 3.94Å; A233-F262 HydrophobicContact CB-CZ 3.17Å; V254-F262 HydrophobicContact CG1-CD2 4.33Å; F255-F262 CarbonylContact O-C 3.57Å; F255-F262 WeakPolarHBondContact O-CA 3.47Å; F255-F262 WeakPolarHBondContact O-CB 3.41Å
263C92.5Very high90.4Very high0 Ų042.5 Ų42.50%023%0.234CC..EExtended strand (participates in β ladder)trans-120.1132.6-178.9-175.20000110.8K213 V254 F255 I257K213-C263 WeakPolarHBondContact O-CA 3.44Å; V254-C263 VanDerWaalsContact CA-O 3.32Å; V254-C263 WeakPolarHBondContact CA-O 3.12Å; F255-C263 HydrophobicContact CD1-CB 4.44Å; F255-C263 HydrophobicContact CD2-CB 4.12Å; F255-C263 HydrophobicContact CE1-CB 3.9Å; F255-C263 HydrophobicContact CE2-CB 3.53Å; F255-C263 HydrophobicContact CZ-CB 3.42Å; F255-C263 VanDerWaalsContact CZ-CB 3.42Å; F255-C263 PolarHBondContact N-O 3.14Å; F255-C263 VanDerWaalsContact N-O 3.08Å; F255-C263 PolarHBondContact O-N 3.41Å; I257-C263 HydrophobicContact CD1-CB 3.85Å; I257-C263 HydrophobicContact CG1-CB 4.19Å
264T92.8Very high90.5Very high7 Ų739.9 Ų39.94%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-104121.4167.9-57.10000108.5K213 L251 V254 L266K213-T264 PolarHBondContact N-O 3.26Å; K213-T264 PolarHBondContact O-N 2.8Å; L251-T264 HydrophobicContact CD1-CG2 3.91Å; L251-T264 HydrophobicContact CG-CG2 4.29Å; V254-T264 HydrophobicContact CG2-CG2 4.1Å; T264-L266 HydrophobicContact CG2-CD2 3.67Å; T264-L266 HydrophobicContact CG2-CG 4.01Å
265V95.7Very high90.7Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-97.1119179.4-173.20000109.1Y184 V210 F252 D253 F255Y184-V265 HydrophobicContact CD1-CG1 4.13Å; Y184-V265 HydrophobicContact CD1-CG2 4.46Å; Y184-V265 HydrophobicContact CD2-CG2 4.08Å; Y184-V265 HydrophobicContact CE1-CB 4.49Å; Y184-V265 HydrophobicContact CE1-CG1 3.72Å; Y184-V265 HydrophobicContact CE1-CG2 4.18Å; Y184-V265 HydrophobicContact CE2-CG2 3.78Å; Y184-V265 HydrophobicContact CG-CG2 4.4Å; V210-V265 HydrophobicContact CB-CG1 3.7Å; V210-V265 HydrophobicContact CG1-CG1 3.99Å; V210-V265 HydrophobicContact CG2-CG1 3.75Å; F252-V265 HydrophobicContact CB-CG1 4.24Å; F252-V265 PolarHBondContact N-O 2.87Å; D253-V265 HydrophobicContact CB-CB 3.91Å; D253-V265 HydrophobicContact CB-CG2 3.97Å; D253-V265 PolarHBondContact N-O 2.86Å; D253-V265 PolarHBondContact O-N 2.85Å; F255-V265 HydrophobicContact CD1-CG2 4.28Å; F255-V265 HydrophobicContact CE1-CG2 3.62Å
266L96.1Very high90.8Very high14 Ų1440.2 Ų40.27%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-118159.5-172.9-60174.4000111.3V210 A211 K213 V249 K250 L251 T264 Y268V210-L266 WeakPolarHBondContact CA-O 3.46Å; V210-L266 WeakPolarHBondContact CB-O 2.73Å; A211-L266 HydrophobicContact CB-CB 4.27Å; A211-L266 PolarHBondContact N-O 3.05Å; A211-L266 PolarHBondContact O-N 2.87Å; K213-L266 HydrophobicContact CB-CD1 4.47Å; V249-L266 HydrophobicContact CG1-CB 3.87Å; V249-L266 HydrophobicContact CG1-CD2 4.31Å; V249-L266 HydrophobicContact CG1-CG 4.48Å; K250-L266 CarbonylContact O-C 3.38Å; K250-L266 WeakPolarHBondContact O-CA 3.45Å; L251-L266 HydrophobicContact CB-CD2 4.18Å; L251-L266 HydrophobicContact CG-CD2 4.44Å; T264-L266 HydrophobicContact CG2-CD2 3.67Å; T264-L266 HydrophobicContact CG2-CG 4.01Å; L266-Y268 PolarHBondContact O-N 3.34Å
267E95.8Very high91Very high42 Ų4236.5 Ų36.520%0.19620%0.195CC..EExtended strand (participates in β ladder)trans-55.2125.1164.6178.2179-157.900110.5V249 K250 F252 K332V249-E267 HydrophobicContact CG1-CB 4.06Å; K250-E267 HydrophobicContact CB-CB 4.11Å; K250-E267 PolarHBondContact N-OE2 3.02Å; K250-E267 VanDerWaalsContact N-OE2 3.14Å; K250-E267 PolarHBondContact O-N 2.86Å; F252-E267 HydrophobicContact CE2-CB 4.08Å; F252-E267 HydrophobicContact CZ-CB 3.96Å; F252-E267 HydrophobicContact CZ-CG 4.46Å; E267-K332 VanDerWaalsContact CD-CE 3.45Å; E267-K332 WeakPolarHBondContact OE1-CE 3.42Å; E267-K332 IonicContact OE1-NZ 3.49Å; E267-K332 PolarHBondContact OE1-NZ 2.77Å; E267-K332 WeakPolarHBondContact OE2-CE 3.45Å; E267-K332 IonicContact OE2-NZ 3.39Å; E267-K332 PolarHBondContact OE2-NZ 3.33Å
268Y95.4Very high91.2Very high55 Ų5534.7 Ų34.722%0.21619%0.186CC..  trans-77.3131175178.5-117.1000110.6L190 R200 Y209 A211 L266 D270L190-Y268 HydrophobicContact CD1-CD2 4.13Å; L190-Y268 HydrophobicContact CD1-CE2 3.82Å; L190-Y268 HydrophobicContact CD2-CE2 4.2Å; R200-Y268 HydrophobicContact CB-CE2 4.17Å; R200-Y268 HydrophobicContact CG-CD2 4.46Å; R200-Y268 HydrophobicContact CG-CE2 4.1Å; Y209-Y268 HydrophobicContact CG-CD1 4.36Å; A211-Y268 HydrophobicContact CB-CD2 4.46Å; L266-Y268 PolarHBondContact O-N 3.34Å; Y268-D270 HydrophobicContact CE1-CB 4.05Å
269C93.3Very high91.5Very high21 Ų2135.8 Ų35.814%0.14219%0.187CC..  trans-111.9128.8168.9-580000108L321C269-L321 HydrophobicContact CB-CB 4.03Å; C269-L321 HydrophobicContact CB-CD1 3.88Å
270D87.3Confident91.9Very high98 Ų9833.3 Ų33.352%0.52417%0.166SC..SBendtrans-82.7-21.3-172.965.5-28.5000114Y268 S323Y268-D270 HydrophobicContact CE1-CB 4.05Å; D270-S323 VanDerWaalsContact OD1-O 3.04Å
271G87.1Confident92.2Very high10 Ų1034 Ų3410%0.10317%0.17CC..SBendtrans-84.9170.3171.600000113.3L322G271-L322 CarbonylContact C-O 3.59Å; G271-L322 WeakPolarHBondContact CA-O 3.43Å; G271-L322 PolarHBondContact N-O 3.01Å
272N90.2Very high92.2Very high64 Ų6437.7 Ų37.734%0.34218%0.184SC..PPolyproline II helixtrans-79.8172.9178-65.7-55.1000111.6F276 L322N272-F276 HydrophobicContact CB-CB 3.78Å; N272-F276 HydrophobicContact CB-CD1 3.71Å; N272-F276 HydrophobicContact CB-CD2 4.46Å; N272-F276 HydrophobicContact CB-CE1 4.46Å; N272-F276 HydrophobicContact CB-CG 3.74Å; N272-F276 VanDerWaalsContact ND2-CD1 3.33Å; N272-F276 WeakPolarHBondContact ND2-CD1 3.45Å; N272-F276 WeakPolarHBondContact ND2-CE1 3.22Å; N272-L322 WeakPolarHBondContact O-CB 3.45Å; N272-L322 WeakPolarHBondContact O-CG 3.4Å; N272-L322 PolarHBondContact O-N 3.01Å
273D94.6Very high92.5Very high19 Ų1939 Ų3910%0.10219%0.194CC..BIsolated β-bridgetrans-73.2159.3167.860.974000112.6R166 D275 F276 Y277 I320 L321R166-D273 IonicContact CZ-OD2 3.23Å; R166-D273 IonicContact NH1-OD1 3.02Å; R166-D273 IonicContact NH1-OD2 3.95Å; R166-D273 IonicContact NH2-OD2 2.78Å; R166-D273 PolarHBondContact NH2-OD2 2.94Å; D273-D275 PolarHBondContact O-N 2.92Å; D273-D275 WeakPolarHBondContact OD1-CA 3.47Å; D273-D275 VanDerWaalsContact OD1-CB 3.27Å; D273-D275 WeakPolarHBondContact OD1-CB 3.06Å; D273-D275 PolarHBondContact OD1-N 2.81Å; D273-F276 WeakPolarHBondContact O-CB 3.41Å; D273-F276 PolarHBondContact O-N 2.87Å; D273-F276 PolarHBondContact OD1-N 3.24Å; D273-Y277 PolarHBondContact O-N 2.81Å; D273-Y277 VanDerWaalsContact O-N 3.16Å; D273-I320 CarbonylContact C-O 3.28Å; D273-I320 WeakPolarHBondContact CA-O 3.37Å; D273-L321 HydrophobicContact CB-CD2 4.11Å
274L96.1Very high92.6Very high0 Ų039.2 Ų39.20%020%0.195CC..Hα-helixtrans-63.7-28.5179.3179.764.1000112.1Y277 L278 I284 I292 P317 I320 I391L274-Y277 HydrophobicContact CD1-CD1 4.43Å; L274-Y277 PolarHBondContact O-N 2.86Å; L274-L278 HydrophobicContact CD1-CG 4.46Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 HydrophobicContact CG-CG 4.46Å; L274-L278 WeakPolarHBondContact O-CB 3.35Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 2.86Å; L274-I284 HydrophobicContact CD1-CD1 3.58Å; L274-I292 HydrophobicContact CD1-CD1 3.97Å; L274-I292 HydrophobicContact CD2-CG2 4.2Å; L274-P317 HydrophobicContact CB-CB 4.04Å; L274-P317 WeakPolarHBondContact CB-O 3.4Å; L274-P317 HydrophobicContact CD2-CB 4.19Å; L274-P317 HydrophobicContact CG-CB 4.01Å; L274-P317 PolarHBondContact N-O 3.43Å; L274-P317 VanDerWaalsContact N-O 3.14Å; L274-I320 HydrophobicContact CB-CB 4.08Å; L274-I320 HydrophobicContact CB-CG2 4.28Å; L274-I320 HydrophobicContact CD2-CB 4.43Å; L274-I320 HydrophobicContact CD2-CD1 4.01Å; L274-I320 HydrophobicContact CD2-CG2 4.43Å; L274-I320 PolarHBondContact N-O 3.05Å; L274-I391 HydrophobicContact CD2-CG2 3.86Å
275D94.8Very high92.7Very high28 Ų2842.3 Ų42.315%0.1522%0.216CC..Hα-helixtrans-64.5-43.7174.8-178.573.1000111.5D273 Y277 L278 K279 P317 A318D273-D275 PolarHBondContact O-N 2.92Å; D273-D275 WeakPolarHBondContact OD1-CA 3.47Å; D273-D275 VanDerWaalsContact OD1-CB 3.27Å; D273-D275 WeakPolarHBondContact OD1-CB 3.06Å; D273-D275 PolarHBondContact OD1-N 2.81Å; D275-Y277 VanDerWaalsContact C-N 3.33Å; D275-Y277 PolarHBondContact O-N 2.86Å; D275-L278 PolarHBondContact O-N 2.79Å; D275-K279 WeakPolarHBondContact O-CB 3.5Å; D275-K279 WeakPolarHBondContact O-CG 3.45Å; D275-K279 PolarHBondContact O-N 2.82Å; D275-K279 IonicContact OD1-NZ 3.98Å; D275-K279 WeakPolarHBondContact OD2-CE 3.48Å; D275-K279 IonicContact OD2-NZ 3.92Å; D275-K279 PolarHBondContact OD2-NZ 3.13Å; D275-P317 HydrophobicContact CB-CB 3.88Å; D275-P317 PolarHBondContact N-O 3.33Å; D275-A318 HydrophobicContact CB-CB 4.06Å
276F92.2Very high92.7Very high36 Ų3644.8 Ų44.816%0.15823%0.227CC..Hα-helixtrans-58.4-46.9172.2-174.2-77.2000110.7L163 N272 D273 L278 K279 Q280L163-F276 HydrophobicContact CD1-CE1 4.37Å; L163-F276 HydrophobicContact CD1-CZ 4.11Å; L163-F276 HydrophobicContact CD2-CD2 3.91Å; L163-F276 HydrophobicContact CD2-CE1 4.31Å; L163-F276 HydrophobicContact CD2-CE2 3.61Å; L163-F276 HydrophobicContact CD2-CG 4.39Å; L163-F276 HydrophobicContact CD2-CZ 3.81Å; L163-F276 HydrophobicContact CG-CZ 4.44Å; N272-F276 HydrophobicContact CB-CB 3.78Å; N272-F276 HydrophobicContact CB-CD1 3.71Å; N272-F276 HydrophobicContact CB-CD2 4.46Å; N272-F276 HydrophobicContact CB-CE1 4.46Å; N272-F276 HydrophobicContact CB-CG 3.74Å; N272-F276 VanDerWaalsContact ND2-CD1 3.33Å; N272-F276 WeakPolarHBondContact ND2-CD1 3.45Å; N272-F276 WeakPolarHBondContact ND2-CE1 3.22Å; D273-F276 WeakPolarHBondContact O-CB 3.41Å; D273-F276 PolarHBondContact O-N 2.87Å; D273-F276 PolarHBondContact OD1-N 3.24Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L278 PolarHBondContact O-N 3.23Å; F276-K279 PolarHBondContact O-N 3.06Å; F276-Q280 PolarHBondContact O-N 3Å
277Y92.7Very high92.7Very high22 Ų2253 Ų539%0.08626%0.262CS..Hα-helixtrans-62.9-39.9-179.9-170.2-104.1000112.3D273 L274 D275 Q280 N281 I284 E288 L322 N326D273-Y277 PolarHBondContact O-N 2.81Å; D273-Y277 VanDerWaalsContact O-N 3.16Å; L274-Y277 HydrophobicContact CD1-CD1 4.43Å; L274-Y277 PolarHBondContact O-N 2.86Å; D275-Y277 VanDerWaalsContact C-N 3.33Å; D275-Y277 PolarHBondContact O-N 2.86Å; Y277-Q280 PolarHBondContact O-N 2.97Å; Y277-N281 WeakPolarHBondContact CD2-ND2 3.41Å; Y277-N281 WeakPolarHBondContact CE2-ND2 3.33Å; Y277-N281 PolarHBondContact O-N 3.15Å; Y277-N281 PolarHBondContact O-ND2 3.04Å; Y277-N281 VanDerWaalsContact O-ND2 3.14Å; Y277-I284 HydrophobicContact CD1-CD1 3.59Å; Y277-I284 HydrophobicContact CD1-CG1 3.92Å; Y277-I284 HydrophobicContact CE1-CD1 3.8Å; Y277-I284 HydrophobicContact CE1-CG1 3.79Å; Y277-I284 HydrophobicContact CE1-CG2 4.34Å; Y277-E288 PolarHBondContact OH-OE2 3.2Å; Y277-E288 VanDerWaalsContact OH-OE2 3.07Å; Y277-L322 HydrophobicContact CD2-CD1 4.29Å; Y277-L322 HydrophobicContact CG-CD1 3.98Å; Y277-N326 PolarHBondContact OH-O 3.28Å
278L93.5Very high92.6Very high9 Ų953.8 Ų53.85%0.04727%0.266CS..Hα-helixtrans-66.5-39.7174.4-73.6167.2000112.3L274 D275 F276 Q280 K282 I284 P317 Q394L274-L278 HydrophobicContact CD1-CG 4.46Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 HydrophobicContact CG-CG 4.46Å; L274-L278 WeakPolarHBondContact O-CB 3.35Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.42Å; L274-L278 PolarHBondContact O-N 2.86Å; D275-L278 PolarHBondContact O-N 2.79Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L278 PolarHBondContact O-N 3.23Å; L278-Q280 VanDerWaalsContact C-N 3.27Å; L278-Q280 PolarHBondContact O-N 2.91Å; L278-K282 WeakPolarHBondContact O-CA 3.31Å; L278-K282 PolarHBondContact O-N 3.26Å; L278-I284 HydrophobicContact CD2-CD1 3.67Å; L278-I284 HydrophobicContact CD2-CG1 3.73Å; L278-I284 HydrophobicContact CG-CD1 4.21Å; L278-P317 HydrophobicContact CD1-CB 3.98Å; L278-P317 HydrophobicContact CD1-CG 4.05Å; L278-Q394 HydrophobicContact CD1-CG 4.11Å
279K91.4Very high92.6Very high100 Ų10051.2 Ų51.244%0.43526%0.256SS..Hα-helixtrans-63.9-34.7174.1-76.2168.8176.1166.40112.1R159 L163 D275 F276R159-K279 WeakPolarHBondContact CD-O 3.41Å; R159-K279 WeakPolarHBondContact CG-O 3.42Å; L163-K279 HydrophobicContact CD2-CB 4.32Å; D275-K279 WeakPolarHBondContact O-CB 3.5Å; D275-K279 WeakPolarHBondContact O-CG 3.45Å; D275-K279 PolarHBondContact O-N 2.82Å; D275-K279 IonicContact OD1-NZ 3.98Å; D275-K279 WeakPolarHBondContact OD2-CE 3.48Å; D275-K279 IonicContact OD2-NZ 3.92Å; D275-K279 PolarHBondContact OD2-NZ 3.13Å; F276-K279 PolarHBondContact O-N 3.06Å
280Q88.9Confident92.7Very high89 Ų8952.4 Ų52.442%0.41626%0.257SS..Hα-helixtrans-72.8-48176.9-171.8174.4-6.700111.9R159 L163 F276 Y277 L278R159-Q280 PolarHBondContact NH1-O 3.23Å; L163-Q280 HydrophobicContact CD1-CB 4.11Å; L163-Q280 HydrophobicContact CD1-CG 4.21Å; F276-Q280 PolarHBondContact O-N 3Å; Y277-Q280 PolarHBondContact O-N 2.97Å; L278-Q280 VanDerWaalsContact C-N 3.27Å; L278-Q280 PolarHBondContact O-N 2.91Å
281N89.3Confident93.1Very high63 Ų6350 Ų5034%0.33725%0.249SC..Hα-helixtrans-100.3-10.5-169.4-64.2-65.6000115.2Y277 V283Y277-N281 WeakPolarHBondContact CD2-ND2 3.41Å; Y277-N281 WeakPolarHBondContact CE2-ND2 3.33Å; Y277-N281 PolarHBondContact O-N 3.15Å; Y277-N281 PolarHBondContact O-ND2 3.04Å; Y277-N281 VanDerWaalsContact O-ND2 3.14Å; N281-V283 PolarHBondContact O-N 2.85Å
282K88.6Confident93.6Very high89 Ų8949.6 Ų49.639%0.38724%0.244SC..SBendtrans66.1-54.1-171.9-169.2-178.8-175176.80113.2E155 L278 G398E155-K282 IonicContact OE1-NZ 3Å; E155-K282 IonicContact OE2-NZ 3.01Å; E155-K282 PolarHBondContact OE2-NZ 3.06Å; L278-K282 WeakPolarHBondContact O-CA 3.31Å; L278-K282 PolarHBondContact O-N 3.26Å; K282-G398 WeakPolarHBondContact O-CA 3.48Å
283V94.1Very high93.9Very high54 Ų5446.5 Ų46.533%0.32723%0.227SC..SBendtrans-129.3155.2177.7-60.30000110.1N281N281-V283 PolarHBondContact O-N 2.85Å
284I95.1Very high94.1Very high4 Ų449.3 Ų49.32%0.02124%0.241CC..  trans-113.3129.2176.5-55.8-178.3000107.7L274 Y277 L278 E286 E288 A289 I292 C395L274-I284 HydrophobicContact CD1-CD1 3.58Å; Y277-I284 HydrophobicContact CD1-CD1 3.59Å; Y277-I284 HydrophobicContact CD1-CG1 3.92Å; Y277-I284 HydrophobicContact CE1-CD1 3.8Å; Y277-I284 HydrophobicContact CE1-CG1 3.79Å; Y277-I284 HydrophobicContact CE1-CG2 4.34Å; L278-I284 HydrophobicContact CD2-CD1 3.67Å; L278-I284 HydrophobicContact CD2-CG1 3.73Å; L278-I284 HydrophobicContact CG-CD1 4.21Å; I284-E286 PolarHBondContact O-N 3.32Å; I284-E288 HydrophobicContact CG2-CB 3.52Å; I284-A289 HydrophobicContact CB-CB 4.39Å; I284-A289 HydrophobicContact CG2-CB 4.1Å; I284-I292 HydrophobicContact CD1-CD1 4.24Å; I284-C395 HydrophobicContact CB-CB 4.28Å; I284-C395 HydrophobicContact CD1-CB 4.13Å; I284-C395 HydrophobicContact CG1-CB 4.45Å; I284-C395 PolarHBondContact N-O 3.34Å
285P95.1Very high94.2Very high72 Ų7250.4 Ų50.447%0.46825%0.246SC..  trans-52139.4173.9-27.135.7000111.7K287 E288 A289P285-K287 PolarHBondContact O-N 2.86Å; P285-E288 WeakPolarHBondContact O-CB 3.28Å; P285-E288 PolarHBondContact O-N 3.39Å; P285-A289 PolarHBondContact O-N 2.98Å
286E96.1Very high94.3Very high52 Ų5249.1 Ų49.124%0.24324%0.239CC..Hα-helixtrans-52.7-36.9-173.2-173.2-175.9141.100113I284 E288 A289 R290 L396 V431 S432 A435 Y461I284-E286 PolarHBondContact O-N 3.32Å; E286-E288 PolarHBondContact O-N 3.2Å; E286-A289 PolarHBondContact O-N 3.44Å; E286-R290 WeakPolarHBondContact O-CB 3.29Å; E286-R290 PolarHBondContact O-N 3.32Å; E286-L396 HydrophobicContact CB-CD2 3.9Å; E286-L396 HydrophobicContact CG-CD2 3.95Å; E286-V431 WeakPolarHBondContact OE2-CA 3.38Å; E286-S432 VanDerWaalsContact OE1-CB 3.28Å; E286-S432 WeakPolarHBondContact OE1-CB 3.21Å; E286-S432 PolarHBondContact OE1-OG 3.44Å; E286-S432 PolarHBondContact OE2-N 3.41Å; E286-A435 HydrophobicContact CG-CB 4.49Å; E286-Y461 WeakPolarHBondContact CG-OH 3.5Å
287K94Very high94.6Very high187 Ų18747.4 Ų47.481%0.81323%0.231SC*.Hα-helixtrans-62.8-42.1177.7-173.7-178.5177.9-1750112.8P285 S291P285-K287 PolarHBondContact O-N 2.86Å; K287-S291 PolarHBondContact O-N 3.08Å
288E94.1Very high94.9Very high58 Ų5852.1 Ų52.127%0.27125%0.249SC..Hα-helixtrans-71.6-46.1176.9-73.5169.6-134.300110.4Y277 I284 P285 E286 R290 S291 I292Y277-E288 PolarHBondContact OH-OE2 3.2Å; Y277-E288 VanDerWaalsContact OH-OE2 3.07Å; I284-E288 HydrophobicContact CG2-CB 3.52Å; P285-E288 WeakPolarHBondContact O-CB 3.28Å; P285-E288 PolarHBondContact O-N 3.39Å; E286-E288 PolarHBondContact O-N 3.2Å; E288-R290 VanDerWaalsContact C-N 3.29Å; E288-R290 PolarHBondContact O-N 3.28Å; E288-S291 WeakPolarHBondContact O-CB 3.44Å; E288-S291 PolarHBondContact O-N 3.1Å; E288-I292 PolarHBondContact O-N 2.87Å; E288-I292 VanDerWaalsContact O-N 3.09Å
289A96.1Very high95.1Very high0 Ų051.7 Ų51.70%025%0.247CC..Hα-helixtrans-55.9-46.1176.200000110.8I284 P285 E286 S291 I292 I293 F392 C395 L396I284-A289 HydrophobicContact CB-CB 4.39Å; I284-A289 HydrophobicContact CG2-CB 4.1Å; P285-A289 PolarHBondContact O-N 2.98Å; E286-A289 PolarHBondContact O-N 3.44Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 3.18Å; A289-I292 WeakPolarHBondContact O-CB 3.42Å; A289-I292 PolarHBondContact O-N 2.85Å; A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.4Å; A289-I293 PolarHBondContact O-N 2.94Å; A289-F392 HydrophobicContact CB-CD2 4.27Å; A289-F392 HydrophobicContact CB-CE2 4Å; A289-C395 HydrophobicContact CB-CB 3.88Å; A289-L396 HydrophobicContact CB-CD2 3.92Å
290R96.2Very high95.5Very high46 Ų4647.3 Ų47.317%0.17423%0.228CC..Hα-helixtrans-54.9-47174.6-175.7177.3156.1160.50.2112.5E286 E288 I292 I293 M294 Y461 L462 K463E286-R290 WeakPolarHBondContact O-CB 3.29Å; E286-R290 PolarHBondContact O-N 3.32Å; E288-R290 VanDerWaalsContact C-N 3.29Å; E288-R290 PolarHBondContact O-N 3.28Å; R290-I292 VanDerWaalsContact C-N 3.31Å; R290-I292 PolarHBondContact O-N 3.49Å; R290-I293 PolarHBondContact O-N 3.43Å; R290-M294 HydrophobicContact CG-CG 4.35Å; R290-M294 HydrophobicContact CG-SD 4.12Å; R290-M294 WeakPolarHBondContact O-CB 3.48Å; R290-M294 VanDerWaalsContact O-CG 3.24Å; R290-M294 WeakPolarHBondContact O-CG 3.45Å; R290-M294 PolarHBondContact O-N 3.47Å; R290-Y461 HydrophobicContact CB-CE1 4.23Å; R290-Y461 WeakPolarHBondContact CB-OH 3.47Å; R290-Y461 HydrophobicContact CG-CE1 3.87Å; R290-Y461 PolarHBondContact NE-O 3.42Å; R290-Y461 PolarHBondContact NH1-O 3.06Å; R290-Y461 PolarHBondContact NH2-O 3.11Å; R290-L462 PolarHBondContact NH2-O 2.94Å; R290-K463 PolarHBondContact NH2-O 3.39Å
291S95.3Very high95.9Very high49 Ų4945.1 Ų45.134%0.34322%0.217SC..Hα-helixtrans-59.3-43.2179.1-176.40000111.8K287 E288 A289 Q295K287-S291 PolarHBondContact O-N 3.08Å; E288-S291 WeakPolarHBondContact O-CB 3.44Å; E288-S291 PolarHBondContact O-N 3.1Å; A289-S291 VanDerWaalsContact C-N 3.34Å; A289-S291 PolarHBondContact O-N 3.18Å; S291-Q295 WeakPolarHBondContact O-CG 3.35Å; S291-Q295 PolarHBondContact O-N 3Å; S291-Q295 PolarHBondContact O-NE2 3.15Å
292I96.7Very high96.4Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-62.5-51.5176.3-66163.2000109.8L274 I284 E288 A289 R290 M294 Q295 V296 I331L274-I292 HydrophobicContact CD1-CD1 3.97Å; L274-I292 HydrophobicContact CD2-CG2 4.2Å; I284-I292 HydrophobicContact CD1-CD1 4.24Å; E288-I292 PolarHBondContact O-N 2.87Å; E288-I292 VanDerWaalsContact O-N 3.09Å; A289-I292 WeakPolarHBondContact O-CB 3.42Å; A289-I292 PolarHBondContact O-N 2.85Å; R290-I292 VanDerWaalsContact C-N 3.31Å; R290-I292 PolarHBondContact O-N 3.49Å; I292-M294 PolarHBondContact O-N 2.85Å; I292-Q295 WeakPolarHBondContact O-CB 3.25Å; I292-Q295 PolarHBondContact O-N 3.29Å; I292-Q295 VanDerWaalsContact O-N 3.09Å; I292-V296 HydrophobicContact CG2-CG2 4.37Å; I292-V296 WeakPolarHBondContact O-CG2 3.37Å; I292-V296 PolarHBondContact O-N 3.49Å; I292-I331 HydrophobicContact CG1-CG2 4.29Å; I292-I331 HydrophobicContact CG2-CG2 4.37Å
293I97.9Very high96.8Very high0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-60.4-42.1-178.5-64.6-55.3000111.9A289 R290 Q295 V296 V297 L388 I391 F392 F438 L462A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.4Å; A289-I293 PolarHBondContact O-N 2.94Å; R290-I293 PolarHBondContact O-N 3.43Å; I293-Q295 VanDerWaalsContact C-N 3.26Å; I293-Q295 PolarHBondContact O-N 2.88Å; I293-V296 PolarHBondContact O-N 2.81Å; I293-V297 HydrophobicContact CG2-CG2 4.19Å; I293-V297 VanDerWaalsContact O-CG2 3.28Å; I293-V297 WeakPolarHBondContact O-CG2 3.18Å; I293-V297 PolarHBondContact O-N 3.31Å; I293-L388 HydrophobicContact CD1-CD1 3.6Å; I293-L388 HydrophobicContact CD1-CG 4.43Å; I293-L388 HydrophobicContact CG2-CD1 4.21Å; I293-L388 HydrophobicContact CG2-CD2 4.44Å; I293-I391 HydrophobicContact CD1-CG2 4.41Å; I293-F392 HydrophobicContact CD1-CB 3.62Å; I293-F392 HydrophobicContact CD1-CD2 4.18Å; I293-F392 HydrophobicContact CD1-CG 4.06Å; I293-F392 HydrophobicContact CG1-CB 3.89Å; I293-F392 HydrophobicContact CG1-CD1 4.48Å; I293-F392 HydrophobicContact CG1-CD2 3.55Å; I293-F392 HydrophobicContact CG1-CE2 4.22Å; I293-F392 HydrophobicContact CG1-CG 3.72Å; I293-F438 HydrophobicContact CG2-CE1 3.7Å; I293-F438 HydrophobicContact CG2-CZ 3.82Å; I293-L462 HydrophobicContact CG2-CD2 4.3Å
294M97.4Very high96.9Very high78 Ų7838.5 Ų38.538%0.38418%0.181SC..Hα-helixtrans-55.6-42175.2-74.4176.869.500112.2R290 I292 R298 L462R290-M294 HydrophobicContact CG-CG 4.35Å; R290-M294 HydrophobicContact CG-SD 4.12Å; R290-M294 WeakPolarHBondContact O-CB 3.48Å; R290-M294 VanDerWaalsContact O-CG 3.24Å; R290-M294 WeakPolarHBondContact O-CG 3.45Å; R290-M294 PolarHBondContact O-N 3.47Å; I292-M294 PolarHBondContact O-N 2.85Å; M294-R298 PolarHBondContact O-N 3.14Å; M294-R298 VanDerWaalsContact O-N 3.1Å; M294-L462 WeakPolarHBondContact CE-O 3.25Å; M294-L462 HydrophobicContact CG-CB 4.12Å; M294-L462 HydrophobicContact CG-CD1 4.45Å; M294-L462 HydrophobicContact CG-CD2 3.69Å; M294-L462 HydrophobicContact CG-CG 4.29Å
295Q98Very high97Very high23 Ų2342.7 Ų42.711%0.10720%0.201CC..Hα-helixtrans-72.3-37.7-179.9-66.6179.275.700112.3R247 S291 I292 I293 R298 A299 G329 I331R247-Q295 HydrophobicContact CG-CB 4.27Å; R247-Q295 VanDerWaalsContact CZ-OE1 3.22Å; S291-Q295 WeakPolarHBondContact O-CG 3.35Å; S291-Q295 PolarHBondContact O-N 3Å; S291-Q295 PolarHBondContact O-NE2 3.15Å; I292-Q295 WeakPolarHBondContact O-CB 3.25Å; I292-Q295 PolarHBondContact O-N 3.29Å; I292-Q295 VanDerWaalsContact O-N 3.09Å; I293-Q295 VanDerWaalsContact C-N 3.26Å; I293-Q295 PolarHBondContact O-N 2.88Å; Q295-R298 PolarHBondContact O-N 3.44Å; Q295-A299 PolarHBondContact O-N 2.98Å; Q295-A299 VanDerWaalsContact O-N 3.08Å; Q295-G329 PolarHBondContact NE2-O 2.9Å; Q295-I331 HydrophobicContact CB-CD1 3.91Å; Q295-I331 HydrophobicContact CB-CG1 3.39Å; Q295-I331 HydrophobicContact CG-CG1 4.29Å
296V98.5Very high97Very high0 Ų040.9 Ų40.90%019%0.187CC..Hα-helixtrans-65.6-45.5175.2179.90000110.5I292 I293 R298 A299 L300 L315 I320 I331 I333 L388I292-V296 HydrophobicContact CG2-CG2 4.37Å; I292-V296 WeakPolarHBondContact O-CG2 3.37Å; I292-V296 PolarHBondContact O-N 3.49Å; I293-V296 PolarHBondContact O-N 2.81Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 3.42Å; V296-A299 WeakPolarHBondContact O-CA 3.35Å; V296-A299 WeakPolarHBondContact O-CB 3.48Å; V296-A299 PolarHBondContact O-N 2.83Å; V296-L300 HydrophobicContact CG1-CD1 4.22Å; V296-L300 HydrophobicContact CG1-CG 4.28Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 3.05Å; V296-L315 HydrophobicContact CG1-CD2 4.03Å; V296-I320 HydrophobicContact CG2-CD1 3.94Å; V296-I320 HydrophobicContact CG2-CG1 4.5Å; V296-I331 HydrophobicContact CG2-CD1 3.87Å; V296-I331 HydrophobicContact CG2-CG1 4.41Å; V296-I333 HydrophobicContact CG1-CD1 4.09Å; V296-L388 HydrophobicContact CB-CD1 3.87Å; V296-L388 HydrophobicContact CG1-CD1 3.54Å
297V98.6Very high96.9Very high0 Ų046.8 Ų46.80%021%0.212CC..Hα-helixtrans-58.2-41.4175.6175.10000111.1I293 A299 L300 K301 L388 F438 V453 L456 Y457 L462I293-V297 HydrophobicContact CG2-CG2 4.19Å; I293-V297 VanDerWaalsContact O-CG2 3.28Å; I293-V297 WeakPolarHBondContact O-CG2 3.18Å; I293-V297 PolarHBondContact O-N 3.31Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 3.35Å; V297-L300 PolarHBondContact O-N 3.1Å; V297-K301 WeakPolarHBondContact O-CB 3.11Å; V297-K301 PolarHBondContact O-N 2.87Å; V297-L388 HydrophobicContact CG2-CD2 3.4Å; V297-L388 VanDerWaalsContact CG2-CD2 3.4Å; V297-F438 HydrophobicContact CG2-CZ 4.04Å; V297-V453 HydrophobicContact CG1-CG2 4.26Å; V297-L456 HydrophobicContact CG1-CB 4.27Å; V297-Y457 HydrophobicContact CG1-CD2 4.12Å; V297-L462 HydrophobicContact CB-CD1 4.27Å; V297-L462 HydrophobicContact CG1-CD1 4.22Å; V297-L462 HydrophobicContact CG2-CD1 4.06Å
298R98.3Very high96.8Very high122 Ų12240.7 Ų40.746%0.4619%0.192SC..Hα-helixtrans-61-40.6174.8-170.8-178.1-179.2-179.72.6112.3M294 Q295 V296 Y302 Y457M294-R298 PolarHBondContact O-N 3.14Å; M294-R298 VanDerWaalsContact O-N 3.1Å; Q295-R298 PolarHBondContact O-N 3.44Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 3.42Å; R298-Y302 PolarHBondContact O-N 2.91Å; R298-Y457 HydrophobicContact CB-CE2 4.44Å; R298-Y457 HydrophobicContact CG-CE2 4.43Å
299A98.5Very high96.8Very high0 Ų038.5 Ų38.50%018%0.183CC..Hα-helixtrans-66.7-45.5176.200000112.1R247 V248 Q295 V296 V297 K301 Y302 L303 I333R247-A299 HydrophobicContact CB-CB 3.78Å; V248-A299 HydrophobicContact CG2-CB 4.35Å; Q295-A299 PolarHBondContact O-N 2.98Å; Q295-A299 VanDerWaalsContact O-N 3.08Å; V296-A299 WeakPolarHBondContact O-CA 3.35Å; V296-A299 WeakPolarHBondContact O-CB 3.48Å; V296-A299 PolarHBondContact O-N 2.83Å; V297-A299 VanDerWaalsContact C-N 3.33Å; V297-A299 PolarHBondContact O-N 3.35Å; A299-K301 VanDerWaalsContact C-N 3.32Å; A299-K301 PolarHBondContact O-N 2.77Å; A299-Y302 WeakPolarHBondContact O-CB 3.24Å; A299-Y302 PolarHBondContact O-N 3.1Å; A299-L303 WeakPolarHBondContact O-CG 3.17Å; A299-L303 PolarHBondContact O-N 2.81Å; A299-I333 HydrophobicContact CB-CD1 3.51Å; A299-I333 HydrophobicContact CB-CG1 4.25Å
300L98.6Very high96.8Very high8 Ų838.8 Ų38.84%0.04218%0.184CC..Hα-helixtrans-63.9-38178.1-66.9-177.7000111.8V296 V297 Y302 L303 N304 L315 I333 D384 L388 V453V296-L300 HydrophobicContact CG1-CD1 4.22Å; V296-L300 HydrophobicContact CG1-CG 4.28Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 3.05Å; V297-L300 PolarHBondContact O-N 3.1Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 3.2Å; L300-L303 HydrophobicContact CD2-CD1 4.27Å; L300-L303 PolarHBondContact O-N 2.82Å; L300-N304 WeakPolarHBondContact O-CB 3.4Å; L300-N304 PolarHBondContact O-N 2.8Å; L300-L315 HydrophobicContact CD1-CD2 4.1Å; L300-L315 HydrophobicContact CD2-CD2 4.27Å; L300-I333 HydrophobicContact CD2-CD1 4.49Å; L300-D384 HydrophobicContact CD1-CB 4.06Å; L300-D384 HydrophobicContact CD2-CB 3.77Å; L300-L388 HydrophobicContact CD1-CB 4.48Å; L300-L388 HydrophobicContact CD1-CD2 4.45Å; L300-V453 HydrophobicContact CB-CG2 3.59Å
301K98.4Very high96.7Very high43 Ų4336.6 Ų36.619%0.18718%0.176CC..Hα-helixtrans-59.2-47.1173.5179176.9176.8-72.30110.5V297 A299 L303 N304 E305 V453 F454 Y457V297-K301 WeakPolarHBondContact O-CB 3.11Å; V297-K301 PolarHBondContact O-N 2.87Å; A299-K301 VanDerWaalsContact C-N 3.32Å; A299-K301 PolarHBondContact O-N 2.77Å; K301-L303 PolarHBondContact O-N 2.8Å; K301-N304 WeakPolarHBondContact O-CB 3.43Å; K301-N304 PolarHBondContact O-N 3.01Å; K301-E305 VanDerWaalsContact CE-OE1 3.29Å; K301-E305 WeakPolarHBondContact CE-OE1 3.3Å; K301-E305 HydrophobicContact CG-CG 4.38Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.3Å; K301-E305 IonicContact NZ-OE2 2.76Å; K301-E305 PolarHBondContact NZ-OE2 3.08Å; K301-E305 WeakPolarHBondContact O-CG 3.17Å; K301-E305 PolarHBondContact O-N 2.99Å; K301-V453 HydrophobicContact CB-CG1 4.48Å; K301-V453 HydrophobicContact CB-CG2 4.11Å; K301-F454 HydrophobicContact CD-CD1 4.47Å; K301-F454 HydrophobicContact CG-CD1 4.16Å; K301-F454 HydrophobicContact CG-CE1 4.07Å; K301-Y457 HydrophobicContact CD-CD1 3.98Å; K301-Y457 HydrophobicContact CD-CD2 3.62Å; K301-Y457 HydrophobicContact CD-CE1 4.32Å; K301-Y457 HydrophobicContact CD-CE2 3.99Å; K301-Y457 HydrophobicContact CD-CG 3.62Å
302Y98.6Very high96.8Very high38 Ų3834.3 Ų34.315%0.14916%0.16CC..Hα-helixtrans-57-48.2174.7163.1-100.6000112.4L243 N244 H245 V248 R298 A299 L300 N304 E305 I306L243-Y302 WeakPolarHBondContact CA-OH 3.5Å; L243-Y302 HydrophobicContact CB-CE1 4.44Å; L243-Y302 HydrophobicContact CD2-CE1 4.21Å; N244-Y302 PolarHBondContact N-OH 3.44Å; H245-Y302 HydrophobicContact CB-CD1 3.49Å; H245-Y302 VanDerWaalsContact CB-CD1 3.49Å; H245-Y302 HydrophobicContact CB-CD2 4.16Å; H245-Y302 HydrophobicContact CB-CE1 3.63Å; H245-Y302 HydrophobicContact CB-CE2 4.29Å; H245-Y302 HydrophobicContact CB-CG 3.77Å; H245-Y302 AromaticContact CD2-CD2 3.98Å; H245-Y302 AromaticContact CD2-CG 3.66Å; H245-Y302 AromaticContact CG-CD1 3.85Å; H245-Y302 AromaticContact CG-CG 3.76Å; V248-Y302 HydrophobicContact CG2-CD1 4.47Å; R298-Y302 PolarHBondContact O-N 2.91Å; A299-Y302 WeakPolarHBondContact O-CB 3.24Å; A299-Y302 PolarHBondContact O-N 3.1Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 3.2Å; Y302-N304 PolarHBondContact O-N 3.29Å; Y302-E305 PolarHBondContact O-N 3.27Å; Y302-E305 VanDerWaalsContact O-N 3.08Å; Y302-I306 HydrophobicContact CD2-CG2 3.94Å; Y302-I306 HydrophobicContact CE1-CG2 4.32Å; Y302-I306 HydrophobicContact CE2-CG2 3.37Å; Y302-I306 PolarHBondContact O-N 3.27Å; Y302-I306 VanDerWaalsContact O-N 3.12Å
303L98Very high96.7Very high1 Ų134.3 Ų34.31%0.00516%0.16CC..Hα-helixtrans-61-30.6178.4-64.9177.5000112.7L243 A299 L300 K301 I306 P309 V310 H312 F336L243-L303 HydrophobicContact CD1-CD2 3.94Å; L243-L303 HydrophobicContact CD2-CD2 3.81Å; L243-L303 HydrophobicContact CG-CD2 4.48Å; A299-L303 WeakPolarHBondContact O-CG 3.17Å; A299-L303 PolarHBondContact O-N 2.81Å; L300-L303 HydrophobicContact CD2-CD1 4.27Å; L300-L303 PolarHBondContact O-N 2.82Å; K301-L303 PolarHBondContact O-N 2.8Å; L303-I306 VanDerWaalsContact O-CG1 3.28Å; L303-I306 WeakPolarHBondContact O-CG1 3.48Å; L303-P309 WeakPolarHBondContact O-CA 3.4Å; L303-V310 HydrophobicContact CB-CB 4.47Å; L303-V310 WeakPolarHBondContact CB-O 3.49Å; L303-V310 HydrophobicContact CD2-CB 4.38Å; L303-V310 HydrophobicContact CD2-CG1 4.41Å; L303-V310 PolarHBondContact O-N 3.47Å; L303-H312 HydrophobicContact CD1-CB 4.46Å; L303-F336 HydrophobicContact CD1-CE1 3.92Å; L303-F336 HydrophobicContact CD1-CZ 4.36Å; L303-F336 HydrophobicContact CD2-CE1 3.96Å; L303-F336 HydrophobicContact CD2-CZ 4.37Å
304N96.5Very high96.6Very high27 Ų2735 Ų3514%0.14416%0.163CC..Hα-helixtrans-79.6-26.5175.9-156.4-74000113.6L300 K301 Y302 P309 S381 V453 F454L300-N304 WeakPolarHBondContact O-CB 3.4Å; L300-N304 PolarHBondContact O-N 2.8Å; K301-N304 WeakPolarHBondContact O-CB 3.43Å; K301-N304 PolarHBondContact O-N 3.01Å; Y302-N304 PolarHBondContact O-N 3.29Å; N304-P309 WeakPolarHBondContact O-CB 3.09Å; N304-S381 WeakPolarHBondContact ND2-CB 3.1Å; N304-S381 PolarHBondContact ND2-OG 2.9Å; N304-V453 HydrophobicContact CB-CG1 3.77Å; N304-F454 HydrophobicContact CB-CE2 4.43Å; N304-F454 HydrophobicContact CB-CZ 4.08Å; N304-F454 WeakPolarHBondContact OD1-CE2 3.36Å; N304-F454 VanDerWaalsContact OD1-CZ 3.26Å; N304-F454 WeakPolarHBondContact OD1-CZ 3.42Å
305E96.6Very high96.6Very high93 Ų9331.2 Ų31.244%0.43515%0.145SC..Hα-helixtrans-85.3-30.6-177.5-76.1178.5142.700113.5K301 Y302 F454K301-E305 VanDerWaalsContact CE-OE1 3.29Å; K301-E305 WeakPolarHBondContact CE-OE1 3.3Å; K301-E305 HydrophobicContact CG-CG 4.38Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.3Å; K301-E305 IonicContact NZ-OE2 2.76Å; K301-E305 PolarHBondContact NZ-OE2 3.08Å; K301-E305 WeakPolarHBondContact O-CG 3.17Å; K301-E305 PolarHBondContact O-N 2.99Å; Y302-E305 PolarHBondContact O-N 3.27Å; Y302-E305 VanDerWaalsContact O-N 3.08Å; E305-F454 HydrophobicContact CG-CE1 3.64Å; E305-F454 HydrophobicContact CG-CZ 4.02Å
306I95.3Very high96.6Very high34 Ų3432 Ų3217%0.17415%0.148CC..SBendtrans-61.5157.2176.958.7170.8000111.6L243 Y302 L303 P308 P309 V310L243-I306 HydrophobicContact CD2-CD1 3.43Å; L243-I306 VanDerWaalsContact CD2-CD1 3.43Å; Y302-I306 HydrophobicContact CD2-CG2 3.94Å; Y302-I306 HydrophobicContact CE1-CG2 4.32Å; Y302-I306 HydrophobicContact CE2-CG2 3.37Å; Y302-I306 PolarHBondContact O-N 3.27Å; Y302-I306 VanDerWaalsContact O-N 3.12Å; L303-I306 VanDerWaalsContact O-CG1 3.28Å; L303-I306 WeakPolarHBondContact O-CG1 3.48Å; I306-P308 CarbonylContact O-C 3.57Å; I306-P309 WeakPolarHBondContact O-CA 3.47Å; I306-P309 WeakPolarHBondContact O-CB 3.45Å; I306-P309 WeakPolarHBondContact O-CD 3.48Å; I306-V310 HydrophobicContact CD1-CB 4.22Å; I306-V310 HydrophobicContact CD1-CG2 3.78Å
307K92.9Very high96.6Very high175 Ų17532 Ų3276%0.76115%0.148SC*.SBendtrans-122118-177.6-62.6-60.9178.9-171.80110.3
308P92.5Very high96.5Very high60 Ų6033.8 Ų33.839%0.3916%0.162SC..SBendcis-67.8152-8.329-35.9000112.7I306 V341I306-P308 CarbonylContact O-C 3.57Å; P308-V341 HydrophobicContact CB-CG1 3.54Å; P308-V341 HydrophobicContact CG-CG1 3.16Å
309P94.4Very high96.4Very high12 Ų1228.4 Ų28.48%0.07814%0.143CC..  trans-72.6153.5178.516.4-15000113.1L303 N304 I306 M342L303-P309 WeakPolarHBondContact O-CA 3.4Å; N304-P309 WeakPolarHBondContact O-CB 3.09Å; I306-P309 WeakPolarHBondContact O-CA 3.47Å; I306-P309 WeakPolarHBondContact O-CB 3.45Å; I306-P309 WeakPolarHBondContact O-CD 3.48Å; P309-M342 HydrophobicContact CB-CE 3.47Å; P309-M342 VanDerWaalsContact CB-CE 3.47Å; P309-M342 HydrophobicContact CG-CB 4.21Å; P309-M342 HydrophobicContact CG-CE 3.74Å; P309-M342 PolarHBondContact O-N 3.42Å
310V95.4Very high96.4Very high6 Ų628.4 Ų28.44%0.03614%0.143CC..EExtended strand (participates in β ladder)trans-120.2134.7-171.2173.10000110.4I239 L303 I306 A339 K340I239-V310 HydrophobicContact CG2-CG1 3.93Å; I239-V310 HydrophobicContact CG2-CG2 3.97Å; L303-V310 HydrophobicContact CB-CB 4.47Å; L303-V310 WeakPolarHBondContact CB-O 3.49Å; L303-V310 HydrophobicContact CD2-CB 4.38Å; L303-V310 HydrophobicContact CD2-CG1 4.41Å; L303-V310 PolarHBondContact O-N 3.47Å; I306-V310 HydrophobicContact CD1-CB 4.22Å; I306-V310 HydrophobicContact CD1-CG2 3.78Å; V310-A339 HydrophobicContact CG1-CB 4.21Å; V310-K340 CarbonylContact C-O 3.56Å; V310-K340 WeakPolarHBondContact CA-O 3.38Å
311I95.5Very high96.3Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-100.6129.2168.1-47.2174.2000107A339 K340 M342 M353 I379 C380 V383 D384I311-A339 CarbonylContact O-C 3.58Å; I311-A339 WeakPolarHBondContact O-CA 3.44Å; I311-A339 WeakPolarHBondContact O-CB 3.35Å; I311-K340 HydrophobicContact CB-CB 4.22Å; I311-K340 HydrophobicContact CD1-CB 4.35Å; I311-K340 PolarHBondContact N-O 3.2Å; I311-K340 PolarHBondContact O-N 2.9Å; I311-M342 HydrophobicContact CD1-CG 3.95Å; I311-M342 HydrophobicContact CD1-SD 3.7Å; I311-M342 HydrophobicContact CG1-CE 4.01Å; I311-M342 HydrophobicContact CG1-CG 4.04Å; I311-M342 HydrophobicContact CG1-SD 3.74Å; I311-M353 HydrophobicContact CD1-SD 4.05Å; I311-I379 HydrophobicContact CD1-CD1 4.35Å; I311-C380 VanDerWaalsContact CD1-C 3.46Å; I311-V383 HydrophobicContact CG2-CB 4.38Å; I311-D384 WeakPolarHBondContact CG2-OD2 3.23Å
312H96.1Very high96.1Very high0 Ų028 Ų280%014%0.143CC..  trans-69.5-41.9176.1-174.6-74.1000111.6L303 D314 L315 I333 T334 D335 F336 D384L303-H312 HydrophobicContact CD1-CB 4.46Å; H312-D314 VanDerWaalsContact CE1-C 3.49Å; H312-D314 PolarHBondContact CE1-O 3.45Å; H312-D314 PolarHBondContact ND1-N 3.23Å; H312-D314 PolarHBondContact O-N 3.1Å; H312-L315 PolarHBondContact ND1-N 3.38Å; H312-L315 VanDerWaalsContact ND1-N 3.14Å; H312-I333 VanDerWaalsContact CD2-CG2 3.42Å; H312-I333 WeakPolarHBondContact CD2-CG2 3.38Å; H312-I333 WeakPolarHBondContact NE2-CG2 3.42Å; H312-T334 PolarHBondContact NE2-O 2.9Å; H312-D335 PolarHBondContact CE1-O 3.35Å; H312-D335 VanDerWaalsContact CE1-O 3.29Å; H312-D335 PolarHBondContact NE2-O 3.06Å; H312-F336 AromaticContact CD2-CD1 3.9Å; H312-F336 AromaticContact CD2-CE1 3.66Å; H312-F336 AromaticContact CD2-CZ 3.86Å; H312-D384 PolarHBondContact N-OD2 2.87Å
313Y95.3Very high95.5Very high1 Ų128.9 Ų28.90%0.00415%0.154CC..SBendtrans69.2-25173.9-168.7-101.4000116.2L338 L355 L366 I379 V383 D384Y313-L338 HydrophobicContact CD1-CB 3.86Å; Y313-L338 HydrophobicContact CD1-CD1 4.46Å; Y313-L355 HydrophobicContact CE1-CD1 4.23Å; Y313-L355 HydrophobicContact CE2-CD1 3.75Å; Y313-L355 HydrophobicContact CE2-CD2 4.47Å; Y313-L355 VanDerWaalsContact CZ-CD1 3.46Å; Y313-L355 WeakPolarHBondContact OH-CD1 3.23Å; Y313-L355 VanDerWaalsContact OH-CD2 3.32Å; Y313-L355 WeakPolarHBondContact OH-CD2 3.34Å; Y313-L366 HydrophobicContact CE2-CD2 4.36Å; Y313-L366 WeakPolarHBondContact O-CD2 3.43Å; Y313-I379 HydrophobicContact CD2-CD1 3.94Å; Y313-I379 HydrophobicContact CE2-CD1 3.92Å; Y313-V383 HydrophobicContact CD2-CG1 4Å; Y313-V383 HydrophobicContact CE2-CG1 4.42Å; Y313-D384 PolarHBondContact N-OD1 2.87Å
314D95.1Very high94.4Very high13 Ų1330.7 Ų30.77%0.0717%0.167CC..  trans-120.941.6173.3-162.637.1000112.7H312 K316 N319 L338 T362H312-D314 VanDerWaalsContact CE1-C 3.49Å; H312-D314 PolarHBondContact CE1-O 3.45Å; H312-D314 PolarHBondContact ND1-N 3.23Å; H312-D314 PolarHBondContact O-N 3.1Å; D314-K316 PolarHBondContact O-N 3.45Å; D314-K316 IonicContact OD1-NZ 3.75Å; D314-K316 PolarHBondContact OD1-NZ 3.44Å; D314-K316 IonicContact OD2-NZ 2.8Å; D314-K316 PolarHBondContact OD2-NZ 3.03Å; D314-N319 PolarHBondContact O-ND2 3.33Å; D314-L338 HydrophobicContact CB-CB 4.31Å; D314-L338 HydrophobicContact CB-CD1 4Å; D314-L338 HydrophobicContact CB-CG 4.48Å; D314-T362 WeakPolarHBondContact OD1-CB 3.37Å; D314-T362 PolarHBondContact OD1-N 3.19Å; D314-T362 VanDerWaalsContact OD1-N 3.16Å; D314-T362 PolarHBondContact OD1-OG1 2.85Å
315L98.2Very high93.1Very high0 Ų039.2 Ų39.20%020%0.197CC..  trans-70.9120.3178.4-173.870000109.7V296 L300 H312 I320 I333 S387 I391V296-L315 HydrophobicContact CG1-CD2 4.03Å; L300-L315 HydrophobicContact CD1-CD2 4.1Å; L300-L315 HydrophobicContact CD2-CD2 4.27Å; H312-L315 PolarHBondContact ND1-N 3.38Å; H312-L315 VanDerWaalsContact ND1-N 3.14Å; L315-I320 HydrophobicContact CD1-CD1 4.41Å; L315-I320 HydrophobicContact CD1-CG1 4.27Å; L315-I333 HydrophobicContact CD1-CD1 4.03Å; L315-I333 HydrophobicContact CD1-CG1 4.37Å; L315-I333 HydrophobicContact CD1-CG2 4.17Å; L315-S387 WeakPolarHBondContact O-CB 3.16Å; L315-I391 HydrophobicContact CD2-CD1 4.12Å; L315-I391 HydrophobicContact CG-CD1 3.8Å
316K98.1Very high91.8Very high39 Ų3939.4 Ų39.417%0.1720%0.201CC..  trans-154.9165.6-17966.8-160.2-178.5-159.40110.2D314 A318 N319 T362 Y365D314-K316 PolarHBondContact O-N 3.45Å; D314-K316 IonicContact OD1-NZ 3.75Å; D314-K316 PolarHBondContact OD1-NZ 3.44Å; D314-K316 IonicContact OD2-NZ 2.8Å; D314-K316 PolarHBondContact OD2-NZ 3.03Å; K316-A318 HydrophobicContact CG-CB 4.23Å; K316-A318 PolarHBondContact O-N 2.88Å; K316-A318 VanDerWaalsContact O-N 3.15Å; K316-N319 WeakPolarHBondContact CE-ND2 3.4Å; K316-N319 HydrophobicContact CG-CB 4.17Å; K316-N319 PolarHBondContact O-N 3.45Å; K316-T362 HydrophobicContact CD-CG2 4.12Å; K316-T362 WeakPolarHBondContact CD-OG1 3.49Å; K316-T362 PolarHBondContact NZ-OG1 3.19Å; K316-Y365 HydrophobicContact CB-CD1 4.46Å; K316-Y365 HydrophobicContact CB-CD2 3.77Å; K316-Y365 HydrophobicContact CB-CE1 4.49Å; K316-Y365 HydrophobicContact CB-CE2 3.77Å; K316-Y365 HydrophobicContact CB-CG 4.12Å
317P97.7Very high90.3Very high0 Ų037.9 Ų37.90%019%0.194CC..G310 helixtrans-57.4-32.8-178.6-26.236.6000113.8L274 D275 L278 N319 I320 Y365 I391L274-P317 HydrophobicContact CB-CB 4.04Å; L274-P317 WeakPolarHBondContact CB-O 3.4Å; L274-P317 HydrophobicContact CD2-CB 4.19Å; L274-P317 HydrophobicContact CG-CB 4.01Å; L274-P317 PolarHBondContact N-O 3.43Å; L274-P317 VanDerWaalsContact N-O 3.14Å; D275-P317 HydrophobicContact CB-CB 3.88Å; D275-P317 PolarHBondContact N-O 3.33Å; L278-P317 HydrophobicContact CD1-CB 3.98Å; L278-P317 HydrophobicContact CD1-CG 4.05Å; P317-N319 PolarHBondContact O-N 3.36Å; P317-I320 PolarHBondContact O-N 2.88Å; P317-Y365 VanDerWaalsContact CD-CE1 3.44Å; P317-Y365 VanDerWaalsContact CD-OH 3.25Å; P317-Y365 WeakPolarHBondContact CD-OH 3.47Å; P317-Y365 HydrophobicContact CG-CE1 4.09Å; P317-I391 HydrophobicContact CG-CG1 4.11Å; P317-I391 HydrophobicContact CG-CG2 4.47Å
318A95.7Very high89.3Confident37 Ų3732.9 Ų32.931%0.30619%0.186SC..G310 helixtrans-67.1-19.2176.600000113.7D275 K316D275-A318 HydrophobicContact CB-CB 4.06Å; K316-A318 HydrophobicContact CG-CB 4.23Å; K316-A318 PolarHBondContact O-N 2.88Å; K316-A318 VanDerWaalsContact O-N 3.15Å
319N97Very high89Confident10 Ų1031.1 Ų31.15%0.05318%0.178CC..G310 helixtrans-102.311.5-179.3-70.2-2.7000112.4D314 K316 P317 I333 T334D314-N319 PolarHBondContact O-ND2 3.33Å; K316-N319 WeakPolarHBondContact CE-ND2 3.4Å; K316-N319 HydrophobicContact CG-CB 4.17Å; K316-N319 PolarHBondContact O-N 3.45Å; P317-N319 PolarHBondContact O-N 3.36Å; N319-I333 WeakPolarHBondContact O-CA 3.4Å; N319-T334 WeakPolarHBondContact CB-O 3.49Å; N319-T334 PolarHBondContact O-N 3.14Å
320I97.9Very high89Confident0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-115.6104.1173.3-61.9168.8000107.7D273 L274 V296 L315 P317 I331 I391D273-I320 CarbonylContact C-O 3.28Å; D273-I320 WeakPolarHBondContact CA-O 3.37Å; L274-I320 HydrophobicContact CB-CB 4.08Å; L274-I320 HydrophobicContact CB-CG2 4.28Å; L274-I320 HydrophobicContact CD2-CB 4.43Å; L274-I320 HydrophobicContact CD2-CD1 4.01Å; L274-I320 HydrophobicContact CD2-CG2 4.43Å; L274-I320 PolarHBondContact N-O 3.05Å; V296-I320 HydrophobicContact CG2-CD1 3.94Å; V296-I320 HydrophobicContact CG2-CG1 4.5Å; L315-I320 HydrophobicContact CD1-CD1 4.41Å; L315-I320 HydrophobicContact CD1-CG1 4.27Å; P317-I320 PolarHBondContact O-N 2.88Å; I320-I331 HydrophobicContact CG2-CB 4.01Å; I320-I331 HydrophobicContact CG2-CD1 4.38Å; I320-I331 HydrophobicContact CG2-CG1 4.46Å; I320-I331 HydrophobicContact CG2-CG2 4.35Å; I320-I391 HydrophobicContact CD1-CD1 4Å; I320-I391 HydrophobicContact CD1-CG2 4.23Å
321L96.5Very high89.1Confident35 Ų3534.8 Ų34.818%0.18319%0.194CC..EExtended strand (participates in β ladder)trans-83.4138.3178.2-54.7-176.5000110.3V249 C269 D273 I331 K332 T334V249-L321 HydrophobicContact CG2-CD1 3.8Å; C269-L321 HydrophobicContact CB-CB 4.03Å; C269-L321 HydrophobicContact CB-CD1 3.88Å; D273-L321 HydrophobicContact CB-CD2 4.11Å; L321-I331 CarbonylContact O-C 3.55Å; L321-I331 WeakPolarHBondContact O-CA 3.42Å; L321-K332 PolarHBondContact N-O 3.5Å; L321-K332 PolarHBondContact O-N 3.36Å; L321-T334 HydrophobicContact CD1-CG2 4.03Å; L321-T334 HydrophobicContact CD2-CG2 4.08Å; L321-T334 HydrophobicContact CG-CG2 3.83Å
322L94.2Very high89.2Confident7 Ų735.9 Ų35.94%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-100.3136.8175.4-52177.6000109G271 N272 Y277 S324 I331G271-L322 CarbonylContact C-O 3.59Å; G271-L322 WeakPolarHBondContact CA-O 3.43Å; G271-L322 PolarHBondContact N-O 3.01Å; N272-L322 WeakPolarHBondContact O-CB 3.45Å; N272-L322 WeakPolarHBondContact O-CG 3.4Å; N272-L322 PolarHBondContact O-N 3.01Å; Y277-L322 HydrophobicContact CD2-CD1 4.29Å; Y277-L322 HydrophobicContact CG-CD1 3.98Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-I331 HydrophobicContact CD2-CG2 3.6Å
323S85.9Confident89.3Confident56 Ų5635.9 Ų35.939%0.39220%0.198SC..SBendtrans-82.1-4.4175.6-175.20000113.4D270 E330D270-S323 VanDerWaalsContact OD1-O 3.04Å; S323-E330 WeakPolarHBondContact CB-O 3.48Å; S323-E330 PolarHBondContact N-O 3.33Å
324S75Confident89.3Confident40 Ų4036.8 Ų36.828%0.2820%0.204SC..SBendtrans-144.6147.6178.5177.10000110.3L322 N326L322-S324 VanDerWaalsContact C-N 3.28Å; S324-N326 WeakPolarHBondContact CB-OD1 3.39Å; S324-N326 PolarHBondContact O-N 2.91Å; S324-N326 PolarHBondContact OG-OD1 3.44Å
325R70.3Confident89.1Confident206 Ų20638.3 Ų38.378%0.77721%0.212SC*.THydrogen-bonded Turntrans-66.4-19.4-179.9-64.8-175.8179.3-1711.6113.7
326N69.3Low88.8Confident96 Ų9638.3 Ų38.351%0.51321%0.212SC..THydrogen-bonded Turntrans-95.58.4-174.868.9-1.8000114.6Y277 S324 A328Y277-N326 PolarHBondContact OH-O 3.28Å; S324-N326 WeakPolarHBondContact CB-OD1 3.39Å; S324-N326 PolarHBondContact O-N 2.91Å; S324-N326 PolarHBondContact OG-OD1 3.44Å; N326-A328 PolarHBondContact O-N 3.03Å; N326-A328 PolarHBondContact OD1-N 3.33Å
327G63.5Low88.3Confident2 Ų237.7 Ų37.72%0.02122%0.217CC..SBendtrans68.6-11.9179.300000115.7G329G327-G329 PolarHBondContact O-N 3.17Å
328A71.8Confident87.8Confident71 Ų7140.1 Ų40.159%0.58723%0.23SC*.  trans-8726.5-176.700000113.5N326N326-A328 PolarHBondContact O-N 3.03Å; N326-A328 PolarHBondContact OD1-N 3.33Å
329G86.5Confident87.6Confident22 Ų2238.8 Ų38.823%0.22722%0.218CC..SBendtrans-121.6-167-16900000114.9Q295 G327Q295-G329 PolarHBondContact NE2-O 2.9Å; G327-G329 PolarHBondContact O-N 3.17Å
330E94.3Very high87.4Confident95 Ų9539.3 Ų39.344%0.44422%0.22SC..  trans-71.9148.4172.7-59.7-149.1139.600111.5R247 S323R247-E330 IonicContact CZ-OE1 3.3Å; R247-E330 IonicContact CZ-OE2 3.91Å; R247-E330 IonicContact NH1-OE1 2.69Å; R247-E330 PolarHBondContact NH1-OE1 3.01Å; R247-E330 IonicContact NH1-OE2 3.27Å; R247-E330 PolarHBondContact NH1-OE2 3.29Å; R247-E330 VanDerWaalsContact NH2-CD 3.29Å; R247-E330 IonicContact NH2-OE1 3.88Å; R247-E330 PolarHBondContact NH2-OE1 2.81Å; R247-E330 IonicContact NH2-OE2 2.83Å; S323-E330 WeakPolarHBondContact CB-O 3.48Å; S323-E330 PolarHBondContact N-O 3.33Å
331I96.8Very high87Confident1 Ų140.8 Ų40.81%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-116.4155.7171.67184.3000111.6R247 I292 Q295 V296 I320 L321 L322 I333R247-I331 HydrophobicContact CB-CD1 4.19Å; R247-I331 WeakPolarHBondContact CD-O 3.4Å; I292-I331 HydrophobicContact CG1-CG2 4.29Å; I292-I331 HydrophobicContact CG2-CG2 4.37Å; Q295-I331 HydrophobicContact CB-CD1 3.91Å; Q295-I331 HydrophobicContact CB-CG1 3.39Å; Q295-I331 HydrophobicContact CG-CG1 4.29Å; V296-I331 HydrophobicContact CG2-CD1 3.87Å; V296-I331 HydrophobicContact CG2-CG1 4.41Å; I320-I331 HydrophobicContact CG2-CB 4.01Å; I320-I331 HydrophobicContact CG2-CD1 4.38Å; I320-I331 HydrophobicContact CG2-CG1 4.46Å; I320-I331 HydrophobicContact CG2-CG2 4.35Å; L321-I331 CarbonylContact O-C 3.55Å; L321-I331 WeakPolarHBondContact O-CA 3.42Å; L322-I331 HydrophobicContact CD2-CG2 3.6Å; I331-I333 HydrophobicContact CD1-CG1 4.44Å
332K97.7Very high86.7Confident23 Ų2339.2 Ų39.210%0.122%0.221CC..EExtended strand (participates in β ladder)trans-136.9131.8169.7-71.1169.9177.6-80.50110.6P246 R247 V249 E267 L321P246-K332 PolarHBondContact O-NZ 3.37Å; R247-K332 WeakPolarHBondContact O-CA 3.27Å; V249-K332 HydrophobicContact CG2-CB 3.78Å; V249-K332 HydrophobicContact CG2-CD 4.48Å; E267-K332 VanDerWaalsContact CD-CE 3.45Å; E267-K332 WeakPolarHBondContact OE1-CE 3.42Å; E267-K332 IonicContact OE1-NZ 3.49Å; E267-K332 PolarHBondContact OE1-NZ 2.77Å; E267-K332 WeakPolarHBondContact OE2-CE 3.45Å; E267-K332 IonicContact OE2-NZ 3.39Å; E267-K332 PolarHBondContact OE2-NZ 3.33Å; L321-K332 PolarHBondContact N-O 3.5Å; L321-K332 PolarHBondContact O-N 3.36Å
333I98.1Very high86.3Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-78138.5171.6-60.4179.9000109.1R247 V249 V296 A299 L300 H312 L315 N319 I331 F336R247-I333 PolarHBondContact O-N 2.76Å; V249-I333 PolarHBondContact N-O 2.93Å; V296-I333 HydrophobicContact CG1-CD1 4.09Å; A299-I333 HydrophobicContact CB-CD1 3.51Å; A299-I333 HydrophobicContact CB-CG1 4.25Å; L300-I333 HydrophobicContact CD2-CD1 4.49Å; H312-I333 VanDerWaalsContact CD2-CG2 3.42Å; H312-I333 WeakPolarHBondContact CD2-CG2 3.38Å; H312-I333 WeakPolarHBondContact NE2-CG2 3.42Å; L315-I333 HydrophobicContact CD1-CD1 4.03Å; L315-I333 HydrophobicContact CD1-CG1 4.37Å; L315-I333 HydrophobicContact CD1-CG2 4.17Å; N319-I333 WeakPolarHBondContact O-CA 3.4Å; I331-I333 HydrophobicContact CD1-CG1 4.44Å; I333-F336 HydrophobicContact CG2-CE2 4.39Å; I333-F336 HydrophobicContact CG2-CZ 4.17Å
334T95.3Very high86.1Confident19 Ų1946.3 Ų46.312%0.11725%0.252CS..  trans-134.9173.6179.3-164.90000111.2H312 N319 L321H312-T334 PolarHBondContact NE2-O 2.9Å; N319-T334 WeakPolarHBondContact CB-O 3.49Å; N319-T334 PolarHBondContact O-N 3.14Å; L321-T334 HydrophobicContact CD1-CG2 4.03Å; L321-T334 HydrophobicContact CD2-CG2 4.08Å; L321-T334 HydrophobicContact CG-CG2 3.83Å
335D91.6Very high86.5Confident45 Ų4550.4 Ų50.424%0.24127%0.271CS..  trans66.172.2174.2-159.724.2000115.4K213 H312 G337K213-D335 IonicContact NZ-OD1 2.81Å; K213-D335 PolarHBondContact NZ-OD1 2.77Å; H312-D335 PolarHBondContact CE1-O 3.35Å; H312-D335 VanDerWaalsContact CE1-O 3.29Å; H312-D335 PolarHBondContact NE2-O 3.06Å; D335-G337 PolarHBondContact O-N 2.67Å
336F92Very high87.1Confident1 Ų146.1 Ų46.10%0.00426%0.258CS..  trans-8519.2177.1-70.2-97.3000113.4L243 V248 L303 H312 I333 L338 A339L243-F336 HydrophobicContact CD1-CD1 3.73Å; L243-F336 HydrophobicContact CD1-CD2 4.26Å; L243-F336 HydrophobicContact CD1-CE1 3.4Å; L243-F336 HydrophobicContact CD1-CE2 3.99Å; L243-F336 HydrophobicContact CD1-CG 4.16Å; L243-F336 HydrophobicContact CD1-CZ 3.55Å; V248-F336 HydrophobicContact CG1-CE2 3.68Å; V248-F336 HydrophobicContact CG1-CZ 3.68Å; V248-F336 HydrophobicContact CG2-CZ 4.46Å; L303-F336 HydrophobicContact CD1-CE1 3.92Å; L303-F336 HydrophobicContact CD1-CZ 4.36Å; L303-F336 HydrophobicContact CD2-CE1 3.96Å; L303-F336 HydrophobicContact CD2-CZ 4.37Å; H312-F336 AromaticContact CD2-CD1 3.9Å; H312-F336 AromaticContact CD2-CE1 3.66Å; H312-F336 AromaticContact CD2-CZ 3.86Å; I333-F336 HydrophobicContact CG2-CE2 4.39Å; I333-F336 HydrophobicContact CG2-CZ 4.17Å; F336-L338 PolarHBondContact O-N 3.31Å; F336-L338 VanDerWaalsContact O-N 3.14Å; F336-A339 HydrophobicContact CB-CB 3.93Å; F336-A339 HydrophobicContact CD1-CB 3.96Å; F336-A339 HydrophobicContact CG-CB 4.46Å; F336-A339 WeakPolarHBondContact O-CB 3.44Å; F336-A339 PolarHBondContact O-N 2.91Å
337G86.5Confident87.8Confident26 Ų2644 Ų4427%0.26824%0.243SC..THydrogen-bonded Turntrans-62.7-21.4-174.700000115.3E236 D335E236-G337 WeakPolarHBondContact OE2-CA 3.37Å; D335-G337 PolarHBondContact O-N 2.67Å
338L87.7Confident88.7Confident51 Ų5147.4 Ų47.427%0.26726%0.261SS..THydrogen-bonded Turntrans-110.17.4174-57.8-177.2000113.6Y313 D314 F336 K340 A360Y313-L338 HydrophobicContact CD1-CB 3.86Å; Y313-L338 HydrophobicContact CD1-CD1 4.46Å; D314-L338 HydrophobicContact CB-CB 4.31Å; D314-L338 HydrophobicContact CB-CD1 4Å; D314-L338 HydrophobicContact CB-CG 4.48Å; F336-L338 PolarHBondContact O-N 3.31Å; F336-L338 VanDerWaalsContact O-N 3.14Å; L338-K340 WeakPolarHBondContact O-CE 3.42Å; L338-A360 HydrophobicContact CD1-CB 4.11Å; L338-A360 HydrophobicContact CD2-CB 4.25Å
339A92.5Very high89.1Confident8 Ų849.2 Ų49.27%0.06627%0.267CS..  trans-60.3148.6-175.600000112.2I239 V310 I311 F336I239-A339 HydrophobicContact CD1-CB 4.26Å; I239-A339 HydrophobicContact CG2-CB 4.44Å; V310-A339 HydrophobicContact CG1-CB 4.21Å; I311-A339 CarbonylContact O-C 3.58Å; I311-A339 WeakPolarHBondContact O-CA 3.44Å; I311-A339 WeakPolarHBondContact O-CB 3.35Å; F336-A339 HydrophobicContact CB-CB 3.93Å; F336-A339 HydrophobicContact CD1-CB 3.96Å; F336-A339 HydrophobicContact CG-CB 4.46Å; F336-A339 WeakPolarHBondContact O-CB 3.44Å; F336-A339 PolarHBondContact O-N 2.91Å
340K91.1Very high88.7Confident21 Ų2152 Ų529%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-119.6136.3-179.7-52.7-60.7178.2-1700109.9V310 I311 L338 M353 S357 I379V310-K340 CarbonylContact C-O 3.56Å; V310-K340 WeakPolarHBondContact CA-O 3.38Å; I311-K340 HydrophobicContact CB-CB 4.22Å; I311-K340 HydrophobicContact CD1-CB 4.35Å; I311-K340 PolarHBondContact N-O 3.2Å; I311-K340 PolarHBondContact O-N 2.9Å; L338-K340 WeakPolarHBondContact O-CE 3.42Å; K340-M353 HydrophobicContact CB-CE 3.99Å; K340-M353 HydrophobicContact CB-SD 3.86Å; K340-S357 WeakPolarHBondContact CE-OG 3.41Å; K340-S357 PolarHBondContact NZ-OG 3.02Å; K340-I379 HydrophobicContact CG-CD1 4.19Å
341V91Very high88.2Confident31 Ų3150.6 Ų50.619%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-96.7126.4172.6-173.70000108.3I239 P308 E343I239-V341 HydrophobicContact CD1-CG2 3.48Å; I239-V341 VanDerWaalsContact CD1-CG2 3.48Å; I239-V341 HydrophobicContact CG1-CG2 3.43Å; I239-V341 VanDerWaalsContact CG1-CG2 3.43Å; P308-V341 HydrophobicContact CB-CG1 3.54Å; P308-V341 HydrophobicContact CG-CG1 3.16Å; V341-E343 VanDerWaalsContact C-N 3.32Å; V341-E343 HydrophobicContact CB-CG 4.26Å; V341-E343 HydrophobicContact CG1-CG 3.71Å; V341-E343 PolarHBondContact O-N 3.25Å
342M89Confident87.7Confident2 Ų250.9 Ų50.91%0.0129%0.288CS..  trans-8874175.7-67.3-178.3-62.100109P309 I311 Y347 M353P309-M342 HydrophobicContact CB-CE 3.47Å; P309-M342 VanDerWaalsContact CB-CE 3.47Å; P309-M342 HydrophobicContact CG-CB 4.21Å; P309-M342 HydrophobicContact CG-CE 3.74Å; P309-M342 PolarHBondContact O-N 3.42Å; I311-M342 HydrophobicContact CD1-CG 3.95Å; I311-M342 HydrophobicContact CD1-SD 3.7Å; I311-M342 HydrophobicContact CG1-CE 4.01Å; I311-M342 HydrophobicContact CG1-CG 4.04Å; I311-M342 HydrophobicContact CG1-SD 3.74Å; M342-Y347 HydrophobicContact CB-CD1 4.15Å; M342-Y347 HydrophobicContact CB-CD2 3.99Å; M342-Y347 HydrophobicContact CB-CG 3.77Å; M342-Y347 HydrophobicContact CG-CD2 3.86Å; M342-Y347 HydrophobicContact CG-CE2 4.2Å; M342-Y347 HydrophobicContact CG-CG 4.19Å; M342-Y347 HydrophobicContact SD-CD2 3.87Å; M342-Y347 HydrophobicContact SD-CE2 3.56Å; M342-Y347 VanDerWaalsContact SD-CE2 3.56Å; M342-Y347 HydrophobicContact SD-CG 4.5Å; M342-M353 HydrophobicContact CG-SD 3.85Å
343E87Confident87.3Confident65 Ų6550.6 Ų50.630%0.30429%0.288SS..  trans-69.4141175.3-59.5172.7175.100110.5V341 D345 K346 Y347V341-E343 VanDerWaalsContact C-N 3.32Å; V341-E343 HydrophobicContact CB-CG 4.26Å; V341-E343 HydrophobicContact CG1-CG 3.71Å; V341-E343 PolarHBondContact O-N 3.25Å; E343-D345 WeakPolarHBondContact CB-OD1 3.32Å; E343-D345 PolarHBondContact O-N 2.71Å; E343-D345 VanDerWaalsContact O-N 3.11Å; E343-K346 PolarHBondContact O-N 2.73Å; E343-K346 IonicContact OE2-NZ 3.41Å; E343-K346 PolarHBondContact OE2-NZ 3.31Å; E343-Y347 VanDerWaalsContact O-CB 3.25Å; E343-Y347 WeakPolarHBondContact O-CB 3.48Å; E343-Y347 PolarHBondContact O-N 2.88Å
344D81.9Confident86.8Confident148 Ų14854.9 Ų54.979%0.79131%0.307SS*.THydrogen-bonded Turntrans-59.3-26.6-172.5-65.7-29.4000113.8
345D83.3Confident86.4Confident125 Ų12554 Ų5467%0.66830%0.302SS*.THydrogen-bonded Turntrans-80-18.4178.263.6-35.9000113.6E343E343-D345 WeakPolarHBondContact CB-OD1 3.32Å; E343-D345 PolarHBondContact O-N 2.71Å; E343-D345 VanDerWaalsContact O-N 3.11Å
346K81.2Confident85.9Confident117 Ų11756.9 Ų56.951%0.50932%0.322SS..THydrogen-bonded Turntrans-119.5-4.6-175.6-66.2171.1-165.5143.20113.6E343 M353E343-K346 PolarHBondContact O-N 2.73Å; E343-K346 IonicContact OE2-NZ 3.41Å; E343-K346 PolarHBondContact OE2-NZ 3.31Å; K346-M353 WeakPolarHBondContact O-CB 3.45Å
347Y84.6Confident85.2Confident51 Ų5158 Ų5820%0.233%0.329CS..EExtended strand (participates in β ladder)trans-121.2120.7-176.7176.8-107.8000110.8M342 E343 P349 M353 C380M342-Y347 HydrophobicContact CB-CD1 4.15Å; M342-Y347 HydrophobicContact CB-CD2 3.99Å; M342-Y347 HydrophobicContact CB-CG 3.77Å; M342-Y347 HydrophobicContact CG-CD2 3.86Å; M342-Y347 HydrophobicContact CG-CE2 4.2Å; M342-Y347 HydrophobicContact CG-CG 4.19Å; M342-Y347 HydrophobicContact SD-CD2 3.87Å; M342-Y347 HydrophobicContact SD-CE2 3.56Å; M342-Y347 VanDerWaalsContact SD-CE2 3.56Å; M342-Y347 HydrophobicContact SD-CG 4.5Å; E343-Y347 VanDerWaalsContact O-CB 3.25Å; E343-Y347 WeakPolarHBondContact O-CB 3.48Å; E343-Y347 PolarHBondContact O-N 2.88Å; Y347-P349 HydrophobicContact CD1-CG 4.44Å; Y347-P349 HydrophobicContact CE1-CB 4.26Å; Y347-P349 HydrophobicContact CE1-CG 3.95Å; Y347-M353 HydrophobicContact CD2-CB 4.19Å; Y347-C380 HydrophobicContact CE2-CB 4.33Å
348D82.6Confident85Confident74 Ų7461.6 Ų61.640%0.39634%0.339SS..EExtended strand (participates in β ladder)trans-101.9123.8167180-26.2000108.3A350 V351 G352D348-A350 PolarHBondContact O-N 3.16Å; D348-A350 WeakPolarHBondContact OD1-CA 3.21Å; D348-A350 WeakPolarHBondContact OD1-CB 3.43Å; D348-A350 PolarHBondContact OD1-N 2.95Å; D348-V351 HydrophobicContact CB-CB 3.99Å; D348-V351 HydrophobicContact CB-CG2 4.46Å; D348-V351 PolarHBondContact O-N 3.45Å; D348-V351 PolarHBondContact OD1-N 2.74Å; D348-V351 WeakPolarHBondContact OD2-CG2 3.39Å; D348-G352 PolarHBondContact N-O 2.69Å; D348-G352 VanDerWaalsContact N-O 3.17Å; D348-G352 VanDerWaalsContact O-CA 3.28Å; D348-G352 WeakPolarHBondContact O-CA 3.41Å; D348-G352 PolarHBondContact O-N 3.49Å
349P79.7Confident84.8Confident109 Ų10961.5 Ų61.571%0.70835%0.35SS*.THydrogen-bonded Turntrans-57.2-30.9176.5-25.834.6000115Y347Y347-P349 HydrophobicContact CD1-CG 4.44Å; Y347-P349 HydrophobicContact CE1-CB 4.26Å; Y347-P349 HydrophobicContact CE1-CG 3.95Å
350A79.5Confident84.5Confident81 Ų8162.3 Ų62.367%0.66936%0.358SS*.THydrogen-bonded Turntrans-82.6-32.1179.400000112.6D348D348-A350 PolarHBondContact O-N 3.16Å; D348-A350 WeakPolarHBondContact OD1-CA 3.21Å; D348-A350 WeakPolarHBondContact OD1-CB 3.43Å; D348-A350 PolarHBondContact OD1-N 2.95Å
351V82.5Confident84.4Confident65 Ų6562.2 Ų62.239%0.39436%0.362SS..THydrogen-bonded Turntrans-107-32.4-173.1-178.90000113.1D348 K378 R447D348-V351 HydrophobicContact CB-CB 3.99Å; D348-V351 HydrophobicContact CB-CG2 4.46Å; D348-V351 PolarHBondContact O-N 3.45Å; D348-V351 PolarHBondContact OD1-N 2.74Å; D348-V351 WeakPolarHBondContact OD2-CG2 3.39Å; V351-K378 HydrophobicContact CG1-CD 4.4Å; V351-K378 HydrophobicContact CG1-CG 3.96Å; V351-K378 VanDerWaalsContact O-CB 3.31Å; V351-K378 WeakPolarHBondContact O-CB 3.22Å; V351-R447 VanDerWaalsContact O-CZ 3.31Å; V351-R447 PolarHBondContact O-NH1 2.99Å; V351-R447 PolarHBondContact O-NH2 2.9Å; V351-R447 VanDerWaalsContact O-NH2 3.09Å
352G86.9Confident84.6Confident6 Ų661.7 Ų61.76%0.06236%0.359CS..EExtended strand (participates in β ladder)trans98.8-164.6-17200000113.2D348 I379D348-G352 PolarHBondContact N-O 2.69Å; D348-G352 VanDerWaalsContact N-O 3.17Å; D348-G352 VanDerWaalsContact O-CA 3.28Å; D348-G352 WeakPolarHBondContact O-CA 3.41Å; D348-G352 PolarHBondContact O-N 3.49Å; G352-I379 CarbonylContact C-O 3.52Å; G352-I379 VanDerWaalsContact CA-O 3.31Å; G352-I379 WeakPolarHBondContact CA-O 3.43Å
353M89.2Confident84.9Confident18 Ų1863.2 Ų63.29%0.08937%0.365CS..EExtended strand (participates in β ladder)trans-114157.8172.764.9176.2-65.600110.9I311 K340 M342 K346 Y347 K378 I379I311-M353 HydrophobicContact CD1-SD 4.05Å; K340-M353 HydrophobicContact CB-CE 3.99Å; K340-M353 HydrophobicContact CB-SD 3.86Å; M342-M353 HydrophobicContact CG-SD 3.85Å; K346-M353 WeakPolarHBondContact O-CB 3.45Å; Y347-M353 HydrophobicContact CD2-CB 4.19Å; M353-K378 CarbonylContact O-C 3.55Å; M353-K378 VanDerWaalsContact O-CA 3.27Å; M353-K378 WeakPolarHBondContact O-CA 3.33Å; M353-I379 HydrophobicContact CG-CG1 3.87Å; M353-I379 PolarHBondContact N-O 3.23Å; M353-I379 PolarHBondContact O-N 2.7Å
354E87.5Confident85.5Confident89 Ų8962.2 Ų62.242%0.41636%0.358SS..EExtended strand (participates in β ladder)trans-69.4132.9175.2-169173.4144.800112.4T356 A376 K378E354-T356 PolarHBondContact O-N 3.28Å; E354-A376 HydrophobicContact CG-CB 4.12Å; E354-K378 IonicContact OE2-NZ 3.97Å
355L86.5Confident86.2Confident2 Ų255.8 Ų55.81%0.0132%0.323CS..  trans-79.798.9171.317158.4000110.2Y313 S357 Q358 C370 P377 I379Y313-L355 HydrophobicContact CE1-CD1 4.23Å; Y313-L355 HydrophobicContact CE2-CD1 3.75Å; Y313-L355 HydrophobicContact CE2-CD2 4.47Å; Y313-L355 VanDerWaalsContact CZ-CD1 3.46Å; Y313-L355 WeakPolarHBondContact OH-CD1 3.23Å; Y313-L355 VanDerWaalsContact OH-CD2 3.32Å; Y313-L355 WeakPolarHBondContact OH-CD2 3.34Å; L355-S357 VanDerWaalsContact C-N 3.3Å; L355-S357 PolarHBondContact O-N 3.11Å; L355-Q358 HydrophobicContact CD2-CG 4.04Å; L355-Q358 HydrophobicContact CG-CG 4.05Å; L355-C370 HydrophobicContact CD2-CB 4.39Å; L355-P377 HydrophobicContact CB-CG 4.19Å; L355-P377 HydrophobicContact CD2-CG 4.5Å; L355-P377 PolarHBondContact N-O 2.91Å; L355-I379 HydrophobicContact CB-CD1 4.29Å; L355-I379 HydrophobicContact CB-CG1 4.23Å; L355-I379 HydrophobicContact CB-CG2 4.09Å; L355-I379 HydrophobicContact CD1-CD1 4.08Å; L355-I379 HydrophobicContact CD2-CG2 4.3Å
356T81.9Confident86.9Confident105 Ų10550 Ų5064%0.64429%0.292SS*.SBendtrans-79.5-5-178.950.60000115.1E354E354-T356 PolarHBondContact O-N 3.28Å
357S78.2Confident87.7Confident24 Ų2444.4 Ų44.417%0.16827%0.268CS..SBendtrans-129.852.7-177.362.90000111.5K340 L355 A360K340-S357 WeakPolarHBondContact CE-OG 3.41Å; K340-S357 PolarHBondContact NZ-OG 3.02Å; L355-S357 VanDerWaalsContact C-N 3.3Å; L355-S357 PolarHBondContact O-N 3.11Å; S357-A360 VanDerWaalsContact O-CB 3.31Å; S357-A360 WeakPolarHBondContact O-CB 3.46Å; S357-A360 PolarHBondContact O-N 2.66Å; S357-A360 VanDerWaalsContact O-N 3.16Å
358Q81.2Confident88.2Confident101 Ų10142.2 Ų42.247%0.47226%0.26SS..THydrogen-bonded Turntrans-54.9139.2175.4-71.6173-81.100110.8L355 A360 D372 P377L355-Q358 HydrophobicContact CD2-CG 4.04Å; L355-Q358 HydrophobicContact CG-CG 4.05Å; Q358-A360 VanDerWaalsContact C-N 3.28Å; Q358-A360 PolarHBondContact O-N 3.06Å; Q358-D372 PolarHBondContact NE2-O 3.33Å; Q358-P377 HydrophobicContact CG-CG 3.79Å; Q358-P377 VanDerWaalsContact NE2-CG 3.35Å
359G84.2Confident88.8Confident49 Ų4939.9 Ų39.951%0.50525%0.247SC..THydrogen-bonded Turntrans79.7-0.1-176.700000115.4Y363G359-Y363 WeakPolarHBondContact CA-OH 3.32Å; G359-Y363 PolarHBondContact O-OH 3.34Å
360A86.2Confident89.5Confident26 Ų2635.1 Ų35.122%0.21522%0.216CC..  trans-86.8162.9167.800000111.6L338 S357 Q358 L366L338-A360 HydrophobicContact CD1-CB 4.11Å; L338-A360 HydrophobicContact CD2-CB 4.25Å; S357-A360 VanDerWaalsContact O-CB 3.31Å; S357-A360 WeakPolarHBondContact O-CB 3.46Å; S357-A360 PolarHBondContact O-N 2.66Å; S357-A360 VanDerWaalsContact O-N 3.16Å; Q358-A360 VanDerWaalsContact C-N 3.28Å; Q358-A360 PolarHBondContact O-N 3.06Å; A360-L366 WeakPolarHBondContact O-CD1 3.36Å
361G88.7Confident90.2Very high18 Ų1832.5 Ų32.519%0.18619%0.189CC..SBendtrans95.7-173.8177.200000113.6Q408G361-Q408 PolarHBondContact O-OE1 3.11Å
362T94.6Very high90.4Very high20 Ų2032.7 Ų32.712%0.12319%0.188CC..  trans-109.1100.6-174.8-50.50000110.1D314 K316 W364 Y365D314-T362 WeakPolarHBondContact OD1-CB 3.37Å; D314-T362 PolarHBondContact OD1-N 3.19Å; D314-T362 VanDerWaalsContact OD1-N 3.16Å; D314-T362 PolarHBondContact OD1-OG1 2.85Å; K316-T362 HydrophobicContact CD-CG2 4.12Å; K316-T362 WeakPolarHBondContact CD-OG1 3.49Å; K316-T362 PolarHBondContact NZ-OG1 3.19Å; T362-W364 VanDerWaalsContact C-N 3.28Å; T362-W364 HydrophobicContact CG2-CE3 3.8Å; T362-W364 HydrophobicContact CG2-CZ3 4.09Å; T362-W364 PolarHBondContact O-N 3.42Å; T362-Y365 HydrophobicContact CG2-CD2 3.55Å; T362-Y365 HydrophobicContact CG2-CE2 3.65Å; T362-Y365 PolarHBondContact O-N 2.81Å
363Y96.8Very high90.3Very high35 Ų3538.9 Ų38.914%0.13723%0.225CC..G310 helixtrans-56-33.6-158.5-69.72.4000115.4G359 Y365 L366 F371 Q408 L412G359-Y363 WeakPolarHBondContact CA-OH 3.32Å; G359-Y363 PolarHBondContact O-OH 3.34Å; Y363-Y365 PolarHBondContact O-N 3.23Å; Y363-L366 HydrophobicContact CD1-CD1 4.06Å; Y363-L366 PolarHBondContact O-N 3.47Å; Y363-F371 HydrophobicContact CD1-CE1 4.16Å; Y363-F371 HydrophobicContact CD1-CZ 4.27Å; Y363-F371 AromaticContact CD2-CE1 3.96Å; Y363-F371 HydrophobicContact CD2-CE1 3.96Å; Y363-F371 HydrophobicContact CE2-CE1 4.4Å; Y363-F371 AromaticContact CG-CE1 3.83Å; Y363-F371 HydrophobicContact CG-CE1 3.83Å; Y363-F371 AromaticContact CG-CZ 3.97Å; Y363-F371 HydrophobicContact CG-CZ 3.97Å; Y363-Q408 HydrophobicContact CD2-CB 3.81Å; Y363-Q408 HydrophobicContact CD2-CG 4.5Å; Y363-Q408 WeakPolarHBondContact CD2-O 3.29Å; Y363-Q408 HydrophobicContact CE2-CB 4.3Å; Y363-Q408 HydrophobicContact CG-CB 4.24Å; Y363-Q408 HydrophobicContact CG-CG 4.45Å; Y363-L412 HydrophobicContact CD2-CB 4.3Å; Y363-L412 HydrophobicContact CE2-CB 4.02Å; Y363-L412 HydrophobicContact CE2-CD1 4.49Å; Y363-L412 HydrophobicContact CE2-CD2 4.14Å; Y363-L412 HydrophobicContact CE2-CG 4.46Å
364W97.8Very high90.1Very high43 Ų4339.9 Ų39.916%0.16323%0.234CC..G310 helixtrans-63.8-21.7178-56.5-85000114.4T362 V390 K400 G403 M406 Q408T362-W364 VanDerWaalsContact C-N 3.28Å; T362-W364 HydrophobicContact CG2-CE3 3.8Å; T362-W364 HydrophobicContact CG2-CZ3 4.09Å; T362-W364 PolarHBondContact O-N 3.42Å; W364-V390 WeakPolarHBondContact O-CG1 3.25Å; W364-K400 HydrophobicContact CB-CD 3.42Å; W364-K400 VanDerWaalsContact CB-CD 3.42Å; W364-K400 HydrophobicContact CD2-CD 4.29Å; W364-K400 HydrophobicContact CG-CD 3.56Å; W364-G403 VanDerWaalsContact CD1-O 3.26Å; W364-G403 PolarHBondContact NE1-O 3.06Å; W364-M406 WeakPolarHBondContact CZ2-O 3.38Å; W364-Q408 HydrophobicContact CE3-CG 4.08Å; W364-Q408 HydrophobicContact CH2-CB 4.35Å; W364-Q408 HydrophobicContact CH2-CG 3.22Å; W364-Q408 HydrophobicContact CZ2-CG 3.83Å; W364-Q408 HydrophobicContact CZ3-CG 3.35Å
365Y98.4Very high89.8Confident13 Ų1341.7 Ų41.75%0.05125%0.253CS..G310 helixtrans-106.91.7-178.4-49.5-86.1000112.4K316 P317 T362 Y363 S387 V390 I391 Q394 K400K316-Y365 HydrophobicContact CB-CD1 4.46Å; K316-Y365 HydrophobicContact CB-CD2 3.77Å; K316-Y365 HydrophobicContact CB-CE1 4.49Å; K316-Y365 HydrophobicContact CB-CE2 3.77Å; K316-Y365 HydrophobicContact CB-CG 4.12Å; P317-Y365 VanDerWaalsContact CD-CE1 3.44Å; P317-Y365 VanDerWaalsContact CD-OH 3.25Å; P317-Y365 WeakPolarHBondContact CD-OH 3.47Å; P317-Y365 HydrophobicContact CG-CE1 4.09Å; T362-Y365 HydrophobicContact CG2-CD2 3.55Å; T362-Y365 HydrophobicContact CG2-CE2 3.65Å; T362-Y365 PolarHBondContact O-N 2.81Å; Y363-Y365 PolarHBondContact O-N 3.23Å; Y365-S387 WeakPolarHBondContact O-CA 3.43Å; Y365-S387 WeakPolarHBondContact O-CB 3.37Å; Y365-S387 PolarHBondContact O-OG 3.47Å; Y365-V390 HydrophobicContact CD1-CB 3.92Å; Y365-V390 HydrophobicContact CD1-CG1 3.34Å; Y365-V390 HydrophobicContact CE1-CG1 3.67Å; Y365-V390 HydrophobicContact CG-CG1 4.23Å; Y365-I391 HydrophobicContact CD1-CG1 4.02Å; Y365-I391 HydrophobicContact CE1-CG1 4.11Å; Y365-Q394 PolarHBondContact OH-OE1 3.15Å; Y365-K400 PolarHBondContact OH-NZ 2.78Å
366L97.5Very high89.6Confident4 Ų443.2 Ų43.22%0.02127%0.266CS..SBendtrans-91.6143.6176-67.4178.6000110.1Y313 A360 Y363 C370 F371 V383 W386 I417Y313-L366 HydrophobicContact CE2-CD2 4.36Å; Y313-L366 WeakPolarHBondContact O-CD2 3.43Å; A360-L366 WeakPolarHBondContact O-CD1 3.36Å; Y363-L366 HydrophobicContact CD1-CD1 4.06Å; Y363-L366 PolarHBondContact O-N 3.47Å; L366-C370 HydrophobicContact CB-CB 4.16Å; L366-C370 HydrophobicContact CD1-CB 4.43Å; L366-F371 HydrophobicContact CB-CE2 3.74Å; L366-F371 HydrophobicContact CB-CZ 4Å; L366-F371 HydrophobicContact CD1-CZ 4.39Å; L366-V383 HydrophobicContact CD2-CG1 4.45Å; L366-W386 VanDerWaalsContact C-CD1 3.49Å; L366-W386 PolarHBondContact O-NE1 2.96Å; L366-I417 WeakPolarHBondContact O-CG2 3.42Å
367P96.9Very high89.9Confident0 Ų038.2 Ų38.20%024%0.236CC..  trans-81.1166.9177.836.7-40.6000112.7E369 C370 F371 V383 W386P367-E369 VanDerWaalsContact C-N 3.29Å; P367-E369 WeakPolarHBondContact CB-OE1 3.33Å; P367-E369 VanDerWaalsContact CB-OE2 3.28Å; P367-E369 WeakPolarHBondContact CB-OE2 3.49Å; P367-E369 HydrophobicContact CG-CG 4.11Å; P367-E369 WeakPolarHBondContact CG-OE1 3.47Å; P367-E369 PolarHBondContact O-N 3.46Å; P367-C370 WeakPolarHBondContact O-CB 3.2Å; P367-C370 PolarHBondContact O-N 3.14Å; P367-F371 WeakPolarHBondContact O-CD2 3.43Å; P367-V383 HydrophobicContact CG-CB 4.26Å; P367-V383 HydrophobicContact CG-CG1 4.16Å; P367-V383 HydrophobicContact CG-CG2 3.92Å; P367-W386 HydrophobicContact CB-CB 3.74Å; P367-W386 HydrophobicContact CB-CD2 3.69Å; P367-W386 HydrophobicContact CB-CE3 4.1Å; P367-W386 HydrophobicContact CB-CG 3.53Å; P367-W386 HydrophobicContact CG-CB 4.37Å; P367-W386 HydrophobicContact CG-CG 4.46Å
368P96Very high90.5Very high5 Ų540.3 Ų40.33%0.03224%0.242CC..G310 helixtrans-54.4-38.1-177.1-25.534000114.4C370 F371 W386 I417 Y445P368-C370 PolarHBondContact O-N 3.02Å; P368-C370 VanDerWaalsContact O-N 3.12Å; P368-F371 PolarHBondContact O-N 3.08Å; P368-W386 HydrophobicContact CG-CH2 4.01Å; P368-W386 HydrophobicContact CG-CZ3 4.28Å; P368-I417 HydrophobicContact CG-CG2 4.16Å; P368-Y445 HydrophobicContact CB-CD2 4.15Å; P368-Y445 HydrophobicContact CB-CE2 3.71Å; P368-Y445 HydrophobicContact CG-CD2 3.64Å; P368-Y445 HydrophobicContact CG-CE2 3.7Å; P368-Y445 HydrophobicContact CG-CG 4.44Å
369E94.8Very high91.1Very high25 Ų2535.5 Ų35.512%0.11722%0.219CC..G310 helixtrans-63.7-18.5-179.566.1-89.8-161.200114.1P367 F371 I379 R450P367-E369 VanDerWaalsContact C-N 3.29Å; P367-E369 WeakPolarHBondContact CB-OE1 3.33Å; P367-E369 VanDerWaalsContact CB-OE2 3.28Å; P367-E369 WeakPolarHBondContact CB-OE2 3.49Å; P367-E369 HydrophobicContact CG-CG 4.11Å; P367-E369 WeakPolarHBondContact CG-OE1 3.47Å; P367-E369 PolarHBondContact O-N 3.46Å; E369-F371 PolarHBondContact O-N 2.87Å; E369-I379 HydrophobicContact CG-CG2 4.5Å; E369-R450 IonicContact OE1-CZ 3.75Å; E369-R450 IonicContact OE1-NH1 2.63Å; E369-R450 PolarHBondContact OE1-NH1 2.91Å; E369-R450 IonicContact OE1-NH2 3.56Å; E369-R450 PolarHBondContact OE1-NH2 3.45Å; E369-R450 IonicContact OE2-CZ 2.81Å; E369-R450 IonicContact OE2-NH1 3.99Å; E369-R450 IonicContact OE2-NH2 2.94Å; E369-R450 PolarHBondContact OE2-NH2 2.89Å
370C94.6Very high91.5Very high9 Ų933.9 Ų33.96%0.06120%0.2CC..G310 helixtrans-77.5-11.1173.9-69.60000113.3L355 L366 P367 P368L355-C370 HydrophobicContact CD2-CB 4.39Å; L366-C370 HydrophobicContact CB-CB 4.16Å; L366-C370 HydrophobicContact CD1-CB 4.43Å; P367-C370 WeakPolarHBondContact O-CB 3.2Å; P367-C370 PolarHBondContact O-N 3.14Å; P368-C370 PolarHBondContact O-N 3.02Å; P368-C370 VanDerWaalsContact O-N 3.12Å
371F93.6Very high92Very high26 Ų2633.6 Ų33.611%0.11420%0.196CC..G310 helixtrans-108.75178.6-59.4-87.1000112.5Y363 L366 P367 P368 E369 T373 L412 I417 L418Y363-F371 HydrophobicContact CD1-CE1 4.16Å; Y363-F371 HydrophobicContact CD1-CZ 4.27Å; Y363-F371 AromaticContact CD2-CE1 3.96Å; Y363-F371 HydrophobicContact CD2-CE1 3.96Å; Y363-F371 HydrophobicContact CE2-CE1 4.4Å; Y363-F371 AromaticContact CG-CE1 3.83Å; Y363-F371 HydrophobicContact CG-CE1 3.83Å; Y363-F371 AromaticContact CG-CZ 3.97Å; Y363-F371 HydrophobicContact CG-CZ 3.97Å; L366-F371 HydrophobicContact CB-CE2 3.74Å; L366-F371 HydrophobicContact CB-CZ 4Å; L366-F371 HydrophobicContact CD1-CZ 4.39Å; P367-F371 WeakPolarHBondContact O-CD2 3.43Å; P368-F371 PolarHBondContact O-N 3.08Å; E369-F371 PolarHBondContact O-N 2.87Å; F371-T373 PolarHBondContact O-N 3.26Å; F371-L412 HydrophobicContact CD1-CD1 4Å; F371-L412 HydrophobicContact CE1-CD1 4.42Å; F371-I417 HydrophobicContact CD2-CB 3.94Å; F371-I417 HydrophobicContact CD2-CG2 3.85Å; F371-I417 HydrophobicContact CE2-CB 3.73Å; F371-I417 HydrophobicContact CE2-CG1 3.85Å; F371-I417 HydrophobicContact CE2-CG2 3.66Å; F371-I417 HydrophobicContact CZ-CB 4.34Å; F371-I417 HydrophobicContact CZ-CG1 4.04Å; F371-L418 HydrophobicContact CB-CD1 4.2Å; F371-L418 HydrophobicContact CB-CD2 3.75Å; F371-L418 HydrophobicContact CB-CG 3.84Å
372D87.1Confident92.4Very high69 Ų6935 Ų3537%0.36920%0.197SC..  trans-61.2127.9173.6179.611.4000110Q358 S374 P377Q358-D372 PolarHBondContact NE2-O 3.33Å; D372-S374 VanDerWaalsContact C-N 3.27Å; D372-S374 WeakPolarHBondContact OD1-CB 3.26Å; D372-S374 PolarHBondContact OD1-N 2.83Å; D372-S374 PolarHBondContact OD1-OG 2.86Å; D372-S374 WeakPolarHBondContact OD2-CB 3.5Å; D372-S374 PolarHBondContact OD2-OG 3.24Å; D372-P377 HydrophobicContact CB-CB 4.05Å
373T84Confident92.5Very high135 Ų13534 Ų3483%0.82819%0.191SC*.  trans-86.73.3179.858.50000112.5F371F371-T373 PolarHBondContact O-N 3.26Å
374S85.6Confident92.6Very high39 Ų3932.6 Ų32.627%0.27319%0.186SC..SBendtrans-56.9153.5170.572.30000110.7D372 A376 P377D372-S374 VanDerWaalsContact C-N 3.27Å; D372-S374 WeakPolarHBondContact OD1-CB 3.26Å; D372-S374 PolarHBondContact OD1-N 2.83Å; D372-S374 PolarHBondContact OD1-OG 2.86Å; D372-S374 WeakPolarHBondContact OD2-CB 3.5Å; D372-S374 PolarHBondContact OD2-OG 3.24Å; S374-A376 PolarHBondContact O-N 3.06Å; S374-A376 VanDerWaalsContact O-N 3.14Å; S374-P377 WeakPolarHBondContact O-CD 3.43Å
375P80.4Confident92.6Very high127 Ų12730.6 Ų30.683%0.82518%0.179SC*.SBendtrans-62-22-176.4-26.135.1000115
376A83.7Confident92.6Very high34 Ų3430 Ų3028%0.28118%0.176SC..SBendtrans-144.168.9-175.300000110.8E354 S374 K378E354-A376 HydrophobicContact CG-CB 4.12Å; S374-A376 PolarHBondContact O-N 3.06Å; S374-A376 VanDerWaalsContact O-N 3.14Å; A376-K378 WeakPolarHBondContact O-CE 3.46Å
377P87.5Confident92.7Very high1 Ų129.8 Ų29.81%0.00618%0.175CC..  trans-63141.6-177.526.2-31.4000110.3L355 Q358 D372 S374L355-P377 HydrophobicContact CB-CG 4.19Å; L355-P377 HydrophobicContact CD2-CG 4.5Å; L355-P377 PolarHBondContact N-O 2.91Å; Q358-P377 HydrophobicContact CG-CG 3.79Å; Q358-P377 VanDerWaalsContact NE2-CG 3.35Å; D372-P377 HydrophobicContact CB-CB 4.05Å; S374-P377 WeakPolarHBondContact O-CD 3.43Å
378K90.9Very high92.8Very high68 Ų6829.8 Ų29.830%0.29618%0.175SC..EExtended strand (participates in β ladder)trans-109.8126.5-171.4-57.8-62.3-177.5-175.80111.6V351 M353 E354 A376 R447V351-K378 HydrophobicContact CG1-CD 4.4Å; V351-K378 HydrophobicContact CG1-CG 3.96Å; V351-K378 VanDerWaalsContact O-CB 3.31Å; V351-K378 WeakPolarHBondContact O-CB 3.22Å; M353-K378 CarbonylContact O-C 3.55Å; M353-K378 VanDerWaalsContact O-CA 3.27Å; M353-K378 WeakPolarHBondContact O-CA 3.33Å; E354-K378 IonicContact OE2-NZ 3.97Å; A376-K378 WeakPolarHBondContact O-CE 3.46Å; K378-R447 PolarHBondContact O-NH1 3.42Å
379I93.4Very high92.9Very high0 Ų029.6 Ų29.60%017%0.174CC..EExtended strand (participates in β ladder)trans-118160.7179.360.3163.8000111.7I311 Y313 K340 G352 M353 L355 E369 V383I311-I379 HydrophobicContact CD1-CD1 4.35Å; Y313-I379 HydrophobicContact CD2-CD1 3.94Å; Y313-I379 HydrophobicContact CE2-CD1 3.92Å; K340-I379 HydrophobicContact CG-CD1 4.19Å; G352-I379 CarbonylContact C-O 3.52Å; G352-I379 VanDerWaalsContact CA-O 3.31Å; G352-I379 WeakPolarHBondContact CA-O 3.43Å; M353-I379 HydrophobicContact CG-CG1 3.87Å; M353-I379 PolarHBondContact N-O 3.23Å; M353-I379 PolarHBondContact O-N 2.7Å; L355-I379 HydrophobicContact CB-CD1 4.29Å; L355-I379 HydrophobicContact CB-CG1 4.23Å; L355-I379 HydrophobicContact CB-CG2 4.09Å; L355-I379 HydrophobicContact CD1-CD1 4.08Å; L355-I379 HydrophobicContact CD2-CG2 4.3Å; E369-I379 HydrophobicContact CG-CG2 4.5Å; I379-V383 HydrophobicContact CB-CG2 3.9Å; I379-V383 HydrophobicContact CG2-CG2 4.05Å
380C93.6Very high93.1Very high15 Ų1528.4 Ų28.410%0.10117%0.168CC..  trans-145.9-178171.268.70000109.9I311 Y347 K382 V383I311-C380 VanDerWaalsContact CD1-C 3.46Å; Y347-C380 HydrophobicContact CE2-CB 4.33Å; C380-K382 PolarHBondContact O-N 2.99Å; C380-V383 WeakPolarHBondContact O-CB 3.14Å; C380-V383 VanDerWaalsContact O-CG2 3.32Å; C380-V383 WeakPolarHBondContact O-CG2 3.47Å; C380-V383 PolarHBondContact O-N 2.62Å
381S95.3Very high93.3Very high20 Ų2028 Ų2814%0.1417%0.165CC..THydrogen-bonded Turntrans-55.6-19.2177.551.90000115.5N304 V383 D384N304-S381 WeakPolarHBondContact ND2-CB 3.1Å; N304-S381 PolarHBondContact ND2-OG 2.9Å; S381-V383 PolarHBondContact O-N 3.17Å; S381-V383 VanDerWaalsContact O-N 3.15Å; S381-D384 PolarHBondContact O-N 2.83Å
382K97.3Very high93.5Very high46 Ų4626.7 Ų26.720%0.216%0.16CC..Hα-helixtrans-66.7-8174.1-64.8-172.2168.487.50113.9C380 V385 W386 R447 R450C380-K382 PolarHBondContact O-N 2.99Å; K382-V385 PolarHBondContact O-N 3.29Å; K382-W386 PolarHBondContact O-N 2.74Å; K382-R447 WeakPolarHBondContact CD-O 3.46Å; K382-R447 WeakPolarHBondContact CE-O 3.49Å; K382-R450 HydrophobicContact CD-CB 4.25Å; K382-R450 WeakPolarHBondContact CD-O 3.44Å; K382-R450 WeakPolarHBondContact CE-O 3.45Å; K382-R450 WeakPolarHBondContact O-CD 3.31Å; K382-R450 PolarHBondContact O-NH1 2.86Å
383V97.3Very high94.1Very high0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-60.8-47.9168.3170.70000110.7I311 Y313 L366 P367 I379 C380 S381 V385 W386 S387I311-V383 HydrophobicContact CG2-CB 4.38Å; Y313-V383 HydrophobicContact CD2-CG1 4Å; Y313-V383 HydrophobicContact CE2-CG1 4.42Å; L366-V383 HydrophobicContact CD2-CG1 4.45Å; P367-V383 HydrophobicContact CG-CB 4.26Å; P367-V383 HydrophobicContact CG-CG1 4.16Å; P367-V383 HydrophobicContact CG-CG2 3.92Å; I379-V383 HydrophobicContact CB-CG2 3.9Å; I379-V383 HydrophobicContact CG2-CG2 4.05Å; C380-V383 WeakPolarHBondContact O-CB 3.14Å; C380-V383 VanDerWaalsContact O-CG2 3.32Å; C380-V383 WeakPolarHBondContact O-CG2 3.47Å; C380-V383 PolarHBondContact O-N 2.62Å; S381-V383 PolarHBondContact O-N 3.17Å; S381-V383 VanDerWaalsContact O-N 3.15Å; V383-V385 PolarHBondContact O-N 3.03Å; V383-W386 WeakPolarHBondContact O-CB 3.28Å; V383-W386 PolarHBondContact O-N 2.78Å; V383-S387 PolarHBondContact O-N 3.17Å; V383-S387 VanDerWaalsContact O-N 3.17Å; V383-S387 PolarHBondContact O-OG 3.03Å
384D98.5Very high94.8Very high5 Ų517.9 Ų17.93%0.02711%0.107CC..Hα-helixtrans-69.3-25.8-179-64.6-32.6000112.1L300 I311 H312 Y313 S381 S387 L388L300-D384 HydrophobicContact CD1-CB 4.06Å; L300-D384 HydrophobicContact CD2-CB 3.77Å; I311-D384 WeakPolarHBondContact CG2-OD2 3.23Å; H312-D384 PolarHBondContact N-OD2 2.87Å; Y313-D384 PolarHBondContact N-OD1 2.87Å; S381-D384 PolarHBondContact O-N 2.83Å; D384-S387 PolarHBondContact O-N 3.31Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 PolarHBondContact O-N 3.01Å
385V98.7Very high95.4Very high2 Ų216 Ų161%0.0129%0.094CC..Hα-helixtrans-65.1-43.4172.71690000111.2K382 V383 L388 G389 C442 R450 A451 L456K382-V385 PolarHBondContact O-N 3.29Å; V383-V385 PolarHBondContact O-N 3.03Å; V385-L388 WeakPolarHBondContact O-CB 3.39Å; V385-L388 PolarHBondContact O-N 3.49Å; V385-G389 PolarHBondContact O-N 3.2Å; V385-C442 HydrophobicContact CG1-CB 4.11Å; V385-C442 WeakPolarHBondContact O-CB 3.45Å; V385-R450 HydrophobicContact CG1-CG 4.05Å; V385-A451 WeakPolarHBondContact CG1-O 3.41Å; V385-L456 HydrophobicContact CB-CD1 4.35Å; V385-L456 HydrophobicContact CG1-CD1 3.61Å; V385-L456 HydrophobicContact CG2-CD1 4.07Å
386W98.7Very high96.2Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-61.4-48.1173.9175.2-82.2000111.1L366 P367 P368 K382 V383 L388 G389 V390 F402 I417 A420 L443 Q444L366-W386 VanDerWaalsContact C-CD1 3.49Å; L366-W386 PolarHBondContact O-NE1 2.96Å; P367-W386 HydrophobicContact CB-CB 3.74Å; P367-W386 HydrophobicContact CB-CD2 3.69Å; P367-W386 HydrophobicContact CB-CE3 4.1Å; P367-W386 HydrophobicContact CB-CG 3.53Å; P367-W386 HydrophobicContact CG-CB 4.37Å; P367-W386 HydrophobicContact CG-CG 4.46Å; P368-W386 HydrophobicContact CG-CH2 4.01Å; P368-W386 HydrophobicContact CG-CZ3 4.28Å; K382-W386 PolarHBondContact O-N 2.74Å; V383-W386 WeakPolarHBondContact O-CB 3.28Å; V383-W386 PolarHBondContact O-N 2.78Å; W386-L388 PolarHBondContact O-N 3.28Å; W386-G389 WeakPolarHBondContact O-CA 3.33Å; W386-G389 PolarHBondContact O-N 3.46Å; W386-V390 PolarHBondContact O-N 3.12Å; W386-F402 HydrophobicContact CH2-CD2 4.3Å; W386-F402 AromaticContact CH2-CE2 3.68Å; W386-F402 HydrophobicContact CH2-CE2 3.68Å; W386-F402 HydrophobicContact CH2-CZ 4.28Å; W386-F402 AromaticContact CZ2-CD2 3.71Å; W386-F402 HydrophobicContact CZ2-CD2 3.71Å; W386-F402 AromaticContact CZ2-CE2 3.47Å; W386-F402 HydrophobicContact CZ2-CE2 3.47Å; W386-F402 VanDerWaalsContact CZ2-CE2 3.47Å; W386-F402 HydrophobicContact CZ2-CZ 4.47Å; W386-I417 HydrophobicContact CZ2-CG2 4.23Å; W386-A420 HydrophobicContact CH2-CB 4.19Å; W386-A420 HydrophobicContact CZ2-CB 4.45Å; W386-L443 HydrophobicContact CD2-CD2 3.86Å; W386-L443 HydrophobicContact CE3-CD2 4.06Å; W386-L443 HydrophobicContact CG-CD2 4.23Å; W386-L443 HydrophobicContact CZ3-CB 4.46Å; W386-L443 HydrophobicContact CZ3-CD2 4.47Å; W386-Q444 WeakPolarHBondContact CZ3-O 3.39Å
387S98.7Very high96.9Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-55.3-42.4177.3-51.40000111.7L315 Y365 V383 D384 G389 V390 I391L315-S387 WeakPolarHBondContact O-CB 3.16Å; Y365-S387 WeakPolarHBondContact O-CA 3.43Å; Y365-S387 WeakPolarHBondContact O-CB 3.37Å; Y365-S387 PolarHBondContact O-OG 3.47Å; V383-S387 PolarHBondContact O-N 3.17Å; V383-S387 VanDerWaalsContact O-N 3.17Å; V383-S387 PolarHBondContact O-OG 3.03Å; D384-S387 PolarHBondContact O-N 3.31Å; S387-G389 PolarHBondContact O-N 2.94Å; S387-V390 PolarHBondContact O-N 3.25Å; S387-I391 WeakPolarHBondContact O-CD1 3.46Å; S387-I391 WeakPolarHBondContact O-CG1 3.18Å; S387-I391 PolarHBondContact O-N 2.78Å
388L98.8Very high97.3Very high0 Ų010.4 Ų10.40%06%0.058CC..Hα-helixtrans-59.4-44.4174.2-179.370.5000112.5I293 V296 V297 L300 D384 V385 W386 V390 I391 F392 F438 L456I293-L388 HydrophobicContact CD1-CD1 3.6Å; I293-L388 HydrophobicContact CD1-CG 4.43Å; I293-L388 HydrophobicContact CG2-CD1 4.21Å; I293-L388 HydrophobicContact CG2-CD2 4.44Å; V296-L388 HydrophobicContact CB-CD1 3.87Å; V296-L388 HydrophobicContact CG1-CD1 3.54Å; V297-L388 HydrophobicContact CG2-CD2 3.4Å; V297-L388 VanDerWaalsContact CG2-CD2 3.4Å; L300-L388 HydrophobicContact CD1-CB 4.48Å; L300-L388 HydrophobicContact CD1-CD2 4.45Å; D384-L388 WeakPolarHBondContact O-CB 3.47Å; D384-L388 PolarHBondContact O-N 3.01Å; V385-L388 WeakPolarHBondContact O-CB 3.39Å; V385-L388 PolarHBondContact O-N 3.49Å; W386-L388 PolarHBondContact O-N 3.28Å; L388-V390 VanDerWaalsContact C-N 3.35Å; L388-V390 PolarHBondContact O-N 3.07Å; L388-I391 PolarHBondContact O-N 3.42Å; L388-F392 WeakPolarHBondContact O-CB 3.48Å; L388-F392 PolarHBondContact O-N 3.2Å; L388-F438 HydrophobicContact CD2-CE1 4.24Å; L388-F438 HydrophobicContact CD2-CZ 4.19Å; L388-L456 HydrophobicContact CD2-CD1 3.98Å
389G98.7Very high97.6Very high0 Ų010.5 Ų10.50%06%0.06CC..Hα-helixtrans-59.8-43.6176.700000112.6V385 W386 S387 F392 F393 C442V385-G389 PolarHBondContact O-N 3.2Å; W386-G389 WeakPolarHBondContact O-CA 3.33Å; W386-G389 PolarHBondContact O-N 3.46Å; S387-G389 PolarHBondContact O-N 2.94Å; G389-F392 PolarHBondContact O-N 2.87Å; G389-F393 WeakPolarHBondContact O-CB 3.17Å; G389-F393 PolarHBondContact O-N 3.22Å; G389-C442 VanDerWaalsContact CA-CB 3.48Å
390V98.8Very high97.8Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-63.1-45.9175.4175.20000110.8W364 Y365 W386 S387 L388 F392 F393 Q394 P401 L443W364-V390 WeakPolarHBondContact O-CG1 3.25Å; Y365-V390 HydrophobicContact CD1-CB 3.92Å; Y365-V390 HydrophobicContact CD1-CG1 3.34Å; Y365-V390 HydrophobicContact CE1-CG1 3.67Å; Y365-V390 HydrophobicContact CG-CG1 4.23Å; W386-V390 PolarHBondContact O-N 3.12Å; S387-V390 PolarHBondContact O-N 3.25Å; L388-V390 VanDerWaalsContact C-N 3.35Å; L388-V390 PolarHBondContact O-N 3.07Å; V390-F392 VanDerWaalsContact C-N 3.35Å; V390-F392 PolarHBondContact O-N 3.32Å; V390-F393 PolarHBondContact O-N 3.17Å; V390-Q394 WeakPolarHBondContact O-CB 3.47Å; V390-Q394 PolarHBondContact O-N 2.98Å; V390-P401 HydrophobicContact CB-CG 4.44Å; V390-P401 HydrophobicContact CG1-CG 4.34Å; V390-P401 HydrophobicContact CG2-CG 4.12Å; V390-L443 HydrophobicContact CG2-CD2 3.84Å
391I98.8Very high98Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-60.5-45.9177.9-69.2161.4000110.5L274 I293 L315 P317 I320 Y365 S387 L388 Q394 C395L274-I391 HydrophobicContact CD2-CG2 3.86Å; I293-I391 HydrophobicContact CD1-CG2 4.41Å; L315-I391 HydrophobicContact CD2-CD1 4.12Å; L315-I391 HydrophobicContact CG-CD1 3.8Å; P317-I391 HydrophobicContact CG-CG1 4.11Å; P317-I391 HydrophobicContact CG-CG2 4.47Å; I320-I391 HydrophobicContact CD1-CD1 4Å; I320-I391 HydrophobicContact CD1-CG2 4.23Å; Y365-I391 HydrophobicContact CD1-CG1 4.02Å; Y365-I391 HydrophobicContact CE1-CG1 4.11Å; S387-I391 WeakPolarHBondContact O-CD1 3.46Å; S387-I391 WeakPolarHBondContact O-CG1 3.18Å; S387-I391 PolarHBondContact O-N 2.78Å; L388-I391 PolarHBondContact O-N 3.42Å; I391-Q394 PolarHBondContact O-N 3.27Å; I391-C395 PolarHBondContact O-N 3.02Å; I391-C395 PolarHBondContact O-SG 3.2Å
392F98.7Very high98.1Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-65.4-45.2-178.6-174.6-152.9000111.8A289 I293 L388 G389 V390 Q394 C395 L396 A435 F438 I439 Y461A289-F392 HydrophobicContact CB-CD2 4.27Å; A289-F392 HydrophobicContact CB-CE2 4Å; I293-F392 HydrophobicContact CD1-CB 3.62Å; I293-F392 HydrophobicContact CD1-CD2 4.18Å; I293-F392 HydrophobicContact CD1-CG 4.06Å; I293-F392 HydrophobicContact CG1-CB 3.89Å; I293-F392 HydrophobicContact CG1-CD1 4.48Å; I293-F392 HydrophobicContact CG1-CD2 3.55Å; I293-F392 HydrophobicContact CG1-CE2 4.22Å; I293-F392 HydrophobicContact CG1-CG 3.72Å; L388-F392 WeakPolarHBondContact O-CB 3.48Å; L388-F392 PolarHBondContact O-N 3.2Å; G389-F392 PolarHBondContact O-N 2.87Å; V390-F392 VanDerWaalsContact C-N 3.35Å; V390-F392 PolarHBondContact O-N 3.32Å; F392-Q394 VanDerWaalsContact C-N 3.3Å; F392-Q394 PolarHBondContact O-N 3.45Å; F392-C395 WeakPolarHBondContact O-CB 3.39Å; F392-C395 PolarHBondContact O-N 3.22Å; F392-C395 VanDerWaalsContact O-N 3.14Å; F392-L396 HydrophobicContact CD2-CD1 4.15Å; F392-L396 HydrophobicContact CD2-CG 4.07Å; F392-L396 HydrophobicContact CE1-CD1 4.37Å; F392-L396 HydrophobicContact CE2-CD1 3.63Å; F392-L396 HydrophobicContact CE2-CD2 3.9Å; F392-L396 HydrophobicContact CE2-CG 3.73Å; F392-L396 HydrophobicContact CZ-CD1 3.72Å; F392-L396 HydrophobicContact CZ-CG 4.34Å; F392-L396 WeakPolarHBondContact O-CG 3.48Å; F392-L396 PolarHBondContact O-N 3.46Å; F392-L396 VanDerWaalsContact O-N 3.12Å; F392-A435 HydrophobicContact CE1-CB 4.18Å; F392-A435 HydrophobicContact CZ-CB 3.85Å; F392-F438 AromaticContact CD1-CD1 3.66Å; F392-F438 HydrophobicContact CD1-CD1 3.66Å; F392-F438 HydrophobicContact CD1-CE1 4.19Å; F392-F438 HydrophobicContact CE1-CB 4.36Å; F392-F438 AromaticContact CE1-CD1 3.85Å; F392-F438 HydrophobicContact CE1-CD1 3.85Å; F392-F438 HydrophobicContact CE1-CG 4.4Å; F392-I439 HydrophobicContact CB-CG1 4.38Å; F392-I439 HydrophobicContact CD1-CD1 3.83Å; F392-I439 HydrophobicContact CD1-CG1 3.34Å; F392-I439 HydrophobicContact CE1-CD1 4.08Å; F392-I439 HydrophobicContact CE1-CG1 3.79Å; F392-I439 HydrophobicContact CG-CD1 4.27Å; F392-I439 HydrophobicContact CG-CG1 4.09Å; F392-Y461 HydrophobicContact CE1-CD1 4.3Å; F392-Y461 AromaticContact CE1-CE1 3.69Å; F392-Y461 HydrophobicContact CE1-CE1 3.69Å; F392-Y461 HydrophobicContact CE2-CE1 4.33Å; F392-Y461 HydrophobicContact CZ-CD1 4.41Å; F392-Y461 AromaticContact CZ-CE1 3.4Å; F392-Y461 HydrophobicContact CZ-CE1 3.4Å; F392-Y461 VanDerWaalsContact CZ-CE1 3.4Å; F392-Y461 AromaticContact CZ-CZ 3.49Å; F392-Y461 VanDerWaalsContact CZ-CZ 3.49Å; F392-Y461 VanDerWaalsContact CZ-OH 3.22Å; F392-Y461 WeakPolarHBondContact CZ-OH 3.49Å
393F98.8Very high98.1Very high1 Ų110.6 Ų10.60%0.0046%0.061CC..Hα-helixtrans-56.7-46.2173-175.7-77.2000111.1G389 V390 C395 L396 Y397 Q399 P401 V423 F425 P426 I439G389-F393 WeakPolarHBondContact O-CB 3.17Å; G389-F393 PolarHBondContact O-N 3.22Å; V390-F393 PolarHBondContact O-N 3.17Å; F393-C395 VanDerWaalsContact C-N 3.29Å; F393-C395 PolarHBondContact O-N 3.04Å; F393-L396 PolarHBondContact O-N 2.95Å; F393-Y397 HydrophobicContact CD1-CD2 4.05Å; F393-Y397 AromaticContact CD2-CD2 3.85Å; F393-Y397 HydrophobicContact CD2-CD2 3.85Å; F393-Y397 HydrophobicContact CD2-CE2 4.07Å; F393-Y397 HydrophobicContact CE1-CD2 4.01Å; F393-Y397 HydrophobicContact CE1-CG 4.3Å; F393-Y397 AromaticContact CE2-CD2 3.82Å; F393-Y397 HydrophobicContact CE2-CD2 3.82Å; F393-Y397 HydrophobicContact CE2-CE2 4.01Å; F393-Y397 AromaticContact CG-CD2 3.97Å; F393-Y397 HydrophobicContact CG-CD2 3.97Å; F393-Y397 AromaticContact CZ-CD2 3.91Å; F393-Y397 HydrophobicContact CZ-CD2 3.91Å; F393-Y397 HydrophobicContact CZ-CE2 4.48Å; F393-Y397 HydrophobicContact CZ-CG 4.31Å; F393-Y397 WeakPolarHBondContact O-CD2 3.28Å; F393-Y397 PolarHBondContact O-N 3.02Å; F393-Q399 WeakPolarHBondContact CD1-O 3.35Å; F393-Q399 HydrophobicContact CE1-CG 4.09Å; F393-Q399 WeakPolarHBondContact CE1-O 3.44Å; F393-P401 HydrophobicContact CB-CG 4.28Å; F393-P401 HydrophobicContact CD1-CB 3.86Å; F393-P401 VanDerWaalsContact CD1-CD 3.5Å; F393-P401 HydrophobicContact CD1-CG 4.11Å; F393-P401 HydrophobicContact CD2-CB 4.01Å; F393-P401 HydrophobicContact CE1-CB 3.95Å; F393-P401 HydrophobicContact CE2-CB 4.1Å; F393-P401 HydrophobicContact CG-CB 3.89Å; F393-P401 HydrophobicContact CG-CG 4.1Å; F393-P401 HydrophobicContact CZ-CB 4.06Å; F393-V423 HydrophobicContact CD2-CG2 3.89Å; F393-V423 HydrophobicContact CE2-CG2 3.75Å; F393-F425 HydrophobicContact CD2-CD1 4.27Å; F393-F425 HydrophobicContact CD2-CE1 4.17Å; F393-F425 AromaticContact CE2-CD1 3.98Å; F393-F425 HydrophobicContact CE2-CD1 3.98Å; F393-F425 HydrophobicContact CE2-CE1 4.3Å; F393-P426 HydrophobicContact CZ-CG 4.3Å; F393-I439 HydrophobicContact CB-CD1 4.16Å; F393-I439 HydrophobicContact CB-CG2 4.48Å; F393-I439 HydrophobicContact CD2-CD1 4.41Å; F393-I439 HydrophobicContact CD2-CG2 4.34Å
394Q98.4Very high98Very high17 Ų1713 Ų138%0.0797%0.074CC..Hα-helixtrans-62.6-36.3178.1-171.7-177.3-1000112.2L278 Y365 V390 I391 F392 G398 Q399 K400L278-Q394 HydrophobicContact CD1-CG 4.11Å; Y365-Q394 PolarHBondContact OH-OE1 3.15Å; V390-Q394 WeakPolarHBondContact O-CB 3.47Å; V390-Q394 PolarHBondContact O-N 2.98Å; I391-Q394 PolarHBondContact O-N 3.27Å; F392-Q394 VanDerWaalsContact C-N 3.3Å; F392-Q394 PolarHBondContact O-N 3.45Å; Q394-G398 VanDerWaalsContact O-CA 3.25Å; Q394-G398 WeakPolarHBondContact O-CA 3.42Å; Q394-G398 PolarHBondContact O-N 2.85Å; Q394-Q399 WeakPolarHBondContact CA-O 3.45Å; Q394-K400 VanDerWaalsContact CD-NZ 3.31Å; Q394-K400 VanDerWaalsContact NE2-NZ 3.17Å
395C98Very high97.7Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-60.6-45.5174.3-66.80000111.8I284 A289 I391 F392 F393I284-C395 HydrophobicContact CB-CB 4.28Å; I284-C395 HydrophobicContact CD1-CB 4.13Å; I284-C395 HydrophobicContact CG1-CB 4.45Å; I284-C395 PolarHBondContact N-O 3.34Å; A289-C395 HydrophobicContact CB-CB 3.88Å; I391-C395 PolarHBondContact O-N 3.02Å; I391-C395 PolarHBondContact O-SG 3.2Å; F392-C395 WeakPolarHBondContact O-CB 3.39Å; F392-C395 PolarHBondContact O-N 3.22Å; F392-C395 VanDerWaalsContact O-N 3.14Å; F393-C395 VanDerWaalsContact C-N 3.29Å; F393-C395 PolarHBondContact O-N 3.04Å
396L98.2Very high97.6Very high2 Ų226.6 Ų26.61%0.0113%0.128CC..Hα-helixtrans-76.2-37.8-175.4-64.1-179.6000113.5E286 A289 F392 F393 P429 V431 A435 I439E286-L396 HydrophobicContact CB-CD2 3.9Å; E286-L396 HydrophobicContact CG-CD2 3.95Å; A289-L396 HydrophobicContact CB-CD2 3.92Å; F392-L396 HydrophobicContact CD2-CD1 4.15Å; F392-L396 HydrophobicContact CD2-CG 4.07Å; F392-L396 HydrophobicContact CE1-CD1 4.37Å; F392-L396 HydrophobicContact CE2-CD1 3.63Å; F392-L396 HydrophobicContact CE2-CD2 3.9Å; F392-L396 HydrophobicContact CE2-CG 3.73Å; F392-L396 HydrophobicContact CZ-CD1 3.72Å; F392-L396 HydrophobicContact CZ-CG 4.34Å; F392-L396 WeakPolarHBondContact O-CG 3.48Å; F392-L396 PolarHBondContact O-N 3.46Å; F392-L396 VanDerWaalsContact O-N 3.12Å; F393-L396 PolarHBondContact O-N 2.95Å; L396-P429 WeakPolarHBondContact O-CD 3.45Å; L396-P429 WeakPolarHBondContact O-CG 3.28Å; L396-V431 HydrophobicContact CB-CG1 4.13Å; L396-V431 HydrophobicContact CD1-CB 4.31Å; L396-V431 HydrophobicContact CD1-CG1 4.09Å; L396-V431 HydrophobicContact CD2-CG1 4.38Å; L396-V431 HydrophobicContact CG-CG1 4.44Å; L396-A435 HydrophobicContact CD1-CB 4.22Å; L396-I439 HydrophobicContact CD1-CD1 3.95Å
397Y97.8Very high97.5Very high14 Ų1429.3 Ų29.36%0.05515%0.147CC..Hα-helixtrans-111.2-11.2-169.3-64.9-73.9000114.3F393 Q399 F425 P426 V431F393-Y397 HydrophobicContact CD1-CD2 4.05Å; F393-Y397 AromaticContact CD2-CD2 3.85Å; F393-Y397 HydrophobicContact CD2-CD2 3.85Å; F393-Y397 HydrophobicContact CD2-CE2 4.07Å; F393-Y397 HydrophobicContact CE1-CD2 4.01Å; F393-Y397 HydrophobicContact CE1-CG 4.3Å; F393-Y397 AromaticContact CE2-CD2 3.82Å; F393-Y397 HydrophobicContact CE2-CD2 3.82Å; F393-Y397 HydrophobicContact CE2-CE2 4.01Å; F393-Y397 AromaticContact CG-CD2 3.97Å; F393-Y397 HydrophobicContact CG-CD2 3.97Å; F393-Y397 AromaticContact CZ-CD2 3.91Å; F393-Y397 HydrophobicContact CZ-CD2 3.91Å; F393-Y397 HydrophobicContact CZ-CE2 4.48Å; F393-Y397 HydrophobicContact CZ-CG 4.31Å; F393-Y397 WeakPolarHBondContact O-CD2 3.28Å; F393-Y397 PolarHBondContact O-N 3.02Å; Y397-Q399 PolarHBondContact O-N 2.69Å; Y397-F425 AromaticContact CE2-CD1 3.84Å; Y397-F425 HydrophobicContact CE2-CD1 3.84Å; Y397-P426 HydrophobicContact CD1-CB 3.81Å; Y397-P426 HydrophobicContact CD1-CG 3.66Å; Y397-P426 HydrophobicContact CE1-CB 4.01Å; Y397-P426 HydrophobicContact CE1-CG 4.1Å; Y397-P426 HydrophobicContact CG-CG 4.03Å; Y397-V431 HydrophobicContact CE1-CG1 4.35Å; Y397-V431 HydrophobicContact CE2-CG2 4.43Å; Y397-V431 WeakPolarHBondContact OH-CG2 3.47Å
398G96Very high97.3Very high28 Ų2832.7 Ų32.729%0.28916%0.163SC..SBendtrans70.114.1179.200000114.4K282 Q394K282-G398 WeakPolarHBondContact O-CA 3.48Å; Q394-G398 VanDerWaalsContact O-CA 3.25Å; Q394-G398 WeakPolarHBondContact O-CA 3.42Å; Q394-G398 PolarHBondContact O-N 2.85Å
399Q96.6Very high97.1Very high71 Ų7136.2 Ų36.233%0.33219%0.188SC..SBendtrans-143.8155178.963.5179.84700109.1F393 Q394 Y397 D404F393-Q399 WeakPolarHBondContact CD1-O 3.35Å; F393-Q399 HydrophobicContact CE1-CG 4.09Å; F393-Q399 WeakPolarHBondContact CE1-O 3.44Å; Q394-Q399 WeakPolarHBondContact CA-O 3.45Å; Y397-Q399 PolarHBondContact O-N 2.69Å; Q399-D404 WeakPolarHBondContact CA-OD1 3.35Å; Q399-D404 HydrophobicContact CB-CB 4.36Å; Q399-D404 WeakPolarHBondContact CB-OD2 3.02Å
400K97.7Very high97.1Very high28 Ų2843 Ų4312%0.12221%0.213CC..  trans-76.5148.1175.1-53.5-169.9-160.4-47.90110.2W364 Y365 Q394 F402 D404W364-K400 HydrophobicContact CB-CD 3.42Å; W364-K400 VanDerWaalsContact CB-CD 3.42Å; W364-K400 HydrophobicContact CD2-CD 4.29Å; W364-K400 HydrophobicContact CG-CD 3.56Å; Y365-K400 PolarHBondContact OH-NZ 2.78Å; Q394-K400 VanDerWaalsContact CD-NZ 3.31Å; Q394-K400 VanDerWaalsContact NE2-NZ 3.17Å; K400-F402 PolarHBondContact O-N 2.87Å; K400-D404 HydrophobicContact CB-CB 4.27Å; K400-D404 PolarHBondContact N-OD1 2.92Å
401P98Very high96.9Very high26 Ų2643.2 Ų43.217%0.16921%0.214CC..SBendtrans-66.5-30.6175.726.7-32.1000112V390 F393 V423 L443V390-P401 HydrophobicContact CB-CG 4.44Å; V390-P401 HydrophobicContact CG1-CG 4.34Å; V390-P401 HydrophobicContact CG2-CG 4.12Å; F393-P401 HydrophobicContact CB-CG 4.28Å; F393-P401 HydrophobicContact CD1-CB 3.86Å; F393-P401 VanDerWaalsContact CD1-CD 3.5Å; F393-P401 HydrophobicContact CD1-CG 4.11Å; F393-P401 HydrophobicContact CD2-CB 4.01Å; F393-P401 HydrophobicContact CE1-CB 3.95Å; F393-P401 HydrophobicContact CE2-CB 4.1Å; F393-P401 HydrophobicContact CG-CB 3.89Å; F393-P401 HydrophobicContact CG-CG 4.1Å; F393-P401 HydrophobicContact CZ-CB 4.06Å; P401-V423 HydrophobicContact CB-CG2 4.04Å; P401-L443 HydrophobicContact CB-CD1 4.25Å; P401-L443 HydrophobicContact CG-CD1 3.99Å
402F97.9Very high96.7Very high18 Ų1847.6 Ų47.68%0.07924%0.237CC..SBendtrans-130.3133.3-178-44.9-61.3000110.1W386 K400 D404 T416 I417 A420 V423 L443W386-F402 HydrophobicContact CH2-CD2 4.3Å; W386-F402 AromaticContact CH2-CE2 3.68Å; W386-F402 HydrophobicContact CH2-CE2 3.68Å; W386-F402 HydrophobicContact CH2-CZ 4.28Å; W386-F402 AromaticContact CZ2-CD2 3.71Å; W386-F402 HydrophobicContact CZ2-CD2 3.71Å; W386-F402 AromaticContact CZ2-CE2 3.47Å; W386-F402 HydrophobicContact CZ2-CE2 3.47Å; W386-F402 VanDerWaalsContact CZ2-CE2 3.47Å; W386-F402 HydrophobicContact CZ2-CZ 4.47Å; K400-F402 PolarHBondContact O-N 2.87Å; F402-D404 VanDerWaalsContact C-N 3.3Å; F402-D404 PolarHBondContact O-N 3.26Å; F402-T416 HydrophobicContact CB-CG2 4.28Å; F402-I417 HydrophobicContact CB-CD1 3.77Å; F402-A420 HydrophobicContact CD1-CB 3.57Å; F402-A420 HydrophobicContact CD2-CB 4.01Å; F402-A420 HydrophobicContact CE1-CB 3.65Å; F402-A420 HydrophobicContact CE2-CB 4.06Å; F402-A420 HydrophobicContact CG-CB 3.76Å; F402-A420 HydrophobicContact CZ-CB 3.89Å; F402-V423 HydrophobicContact CZ-CB 4.33Å; F402-L443 HydrophobicContact CE2-CD1 4.1Å; F402-L443 HydrophobicContact CE2-CD2 4.37Å; F402-L443 HydrophobicContact CZ-CD1 4.36Å
403G96.3Very high96.6Very high10 Ų1053.7 Ų53.710%0.10327%0.266CS..SBendtrans66.423.4174.400000115.8W364 R405 M406W364-G403 VanDerWaalsContact CD1-O 3.26Å; W364-G403 PolarHBondContact NE1-O 3.06Å; G403-R405 PolarHBondContact O-N 3.21Å; G403-M406 WeakPolarHBondContact O-CB 3.37Å; G403-M406 PolarHBondContact O-N 2.98Å; G403-M406 VanDerWaalsContact O-N 3.1Å
404D95.7Very high96.4Very high50 Ų5056.9 Ų56.927%0.26729%0.285SS..THydrogen-bonded Turntrans-55.8135.9175.4-165.563.1000110.7Q399 K400 F402 M406Q399-D404 WeakPolarHBondContact CA-OD1 3.35Å; Q399-D404 HydrophobicContact CB-CB 4.36Å; Q399-D404 WeakPolarHBondContact CB-OD2 3.02Å; K400-D404 HydrophobicContact CB-CB 4.27Å; K400-D404 PolarHBondContact N-OD1 2.92Å; F402-D404 VanDerWaalsContact C-N 3.3Å; F402-D404 PolarHBondContact O-N 3.26Å; D404-M406 PolarHBondContact O-N 3.07Å
405R93Very high96.2Very high231 Ų23156.8 Ų56.887%0.87229%0.289SS*.THydrogen-bonded Turntrans62.22.6-175.9-49.6170.5-169.4-156.3-1.5116G403G403-R405 PolarHBondContact O-N 3.21Å
406M96.1Very high96.2Very high63 Ų6358.1 Ų58.131%0.3130%0.297SS..  trans-81.8162.3170.8-60.4178.265.800109.9W364 G403 D404 R410 V411 T414 T416W364-M406 WeakPolarHBondContact CZ2-O 3.38Å; G403-M406 WeakPolarHBondContact O-CB 3.37Å; G403-M406 PolarHBondContact O-N 2.98Å; G403-M406 VanDerWaalsContact O-N 3.1Å; D404-M406 PolarHBondContact O-N 3.07Å; M406-R410 HydrophobicContact CB-CB 4.21Å; M406-R410 HydrophobicContact CE-CB 3.85Å; M406-V411 HydrophobicContact CB-CG2 3.9Å; M406-T414 HydrophobicContact CE-CG2 4.13Å; M406-T414 WeakPolarHBondContact CE-OG1 3.37Å; M406-T416 WeakPolarHBondContact CE-OG1 3.06Å
407S96.1Very high96.1Very high57 Ų5758.1 Ų58.140%0.39930%0.297SS..  trans-87.2162.1165.567.90000110.6S409 R410 V411S407-S409 VanDerWaalsContact C-N 3.25Å; S407-S409 PolarHBondContact O-N 3.44Å; S407-R410 PolarHBondContact O-N 3.25Å; S407-R410 VanDerWaalsContact O-N 3.11Å; S407-R410 WeakPolarHBondContact OG-CG 3.42Å; S407-R410 PolarHBondContact OG-N 3.35Å; S407-R410 VanDerWaalsContact OG-N 3.14Å; S407-V411 WeakPolarHBondContact O-CG2 3.13Å; S407-V411 PolarHBondContact O-N 3.05Å
408Q95.1Very high96Very high70 Ų7060.7 Ų60.733%0.32731%0.311SS..Hα-helixtrans-58.6-39.7175.3-63.4-163.793.900111.8G361 Y363 W364 R410 V411 L412G361-Q408 PolarHBondContact O-OE1 3.11Å; Y363-Q408 HydrophobicContact CD2-CB 3.81Å; Y363-Q408 HydrophobicContact CD2-CG 4.5Å; Y363-Q408 WeakPolarHBondContact CD2-O 3.29Å; Y363-Q408 HydrophobicContact CE2-CB 4.3Å; Y363-Q408 HydrophobicContact CG-CB 4.24Å; Y363-Q408 HydrophobicContact CG-CG 4.45Å; W364-Q408 HydrophobicContact CE3-CG 4.08Å; W364-Q408 HydrophobicContact CH2-CB 4.35Å; W364-Q408 HydrophobicContact CH2-CG 3.22Å; W364-Q408 HydrophobicContact CZ2-CG 3.83Å; W364-Q408 HydrophobicContact CZ3-CG 3.35Å; Q408-R410 PolarHBondContact O-N 2.81Å; Q408-V411 PolarHBondContact O-N 3.24Å; Q408-L412 PolarHBondContact O-N 3.33Å
409S95.4Very high95.9Very high75 Ų7564.9 Ų64.952%0.52433%0.327SS..Hα-helixtrans-58.6-45.8174.4-48.70000111.6S407 L412 E413S407-S409 VanDerWaalsContact C-N 3.25Å; S407-S409 PolarHBondContact O-N 3.44Å; S409-L412 PolarHBondContact O-N 3.46Å; S409-E413 WeakPolarHBondContact O-CB 3.26Å; S409-E413 VanDerWaalsContact O-CG 3.28Å; S409-E413 WeakPolarHBondContact O-CG 3.14Å; S409-E413 PolarHBondContact O-N 2.96Å
410R96.9Very high95.9Very high143 Ų14361.7 Ų61.754%0.5431%0.313SS..Hα-helixtrans-65.3-40.9176.6-78.4-59-146.4-168.86.7112.9M406 S407 Q408 L412 E413 T414M406-R410 HydrophobicContact CB-CB 4.21Å; M406-R410 HydrophobicContact CE-CB 3.85Å; S407-R410 PolarHBondContact O-N 3.25Å; S407-R410 VanDerWaalsContact O-N 3.11Å; S407-R410 WeakPolarHBondContact OG-CG 3.42Å; S407-R410 PolarHBondContact OG-N 3.35Å; S407-R410 VanDerWaalsContact OG-N 3.14Å; Q408-R410 PolarHBondContact O-N 2.81Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 3.3Å; R410-E413 WeakPolarHBondContact CD-OE2 3.43Å; R410-E413 IonicContact CZ-OE2 3.54Å; R410-E413 IonicContact NH1-OE2 3.34Å; R410-E413 PolarHBondContact NH1-OE2 2.87Å; R410-E413 PolarHBondContact O-N 2.93Å; R410-T414 WeakPolarHBondContact O-CB 2.86Å; R410-T414 WeakPolarHBondContact O-CG2 3.34Å; R410-T414 PolarHBondContact O-N 2.99Å; R410-T414 PolarHBondContact O-OG1 3.14Å
411V95.9Very high95.7Very high3 Ų365 Ų652%0.01834%0.336CS..Hα-helixtrans-58-42.9176.3167.20000110.5M406 S407 Q408 T414 G415 T416 I417M406-V411 HydrophobicContact CB-CG2 3.9Å; S407-V411 WeakPolarHBondContact O-CG2 3.13Å; S407-V411 PolarHBondContact O-N 3.05Å; Q408-V411 PolarHBondContact O-N 3.24Å; V411-T414 PolarHBondContact O-OG1 3.31Å; V411-G415 PolarHBondContact O-N 3.01Å; V411-T416 PolarHBondContact O-N 3.4Å; V411-I417 HydrophobicContact CG1-CD1 4.21Å; V411-I417 HydrophobicContact CG1-CG1 3.71Å
412L94.5Very high95.6Very high92 Ų9267.5 Ų67.548%0.48235%0.354SS..Hα-helixtrans-69.7-51.8177.4-17565.2000112.2Y363 F371 Q408 S409 R410 T414 G415Y363-L412 HydrophobicContact CD2-CB 4.3Å; Y363-L412 HydrophobicContact CE2-CB 4.02Å; Y363-L412 HydrophobicContact CE2-CD1 4.49Å; Y363-L412 HydrophobicContact CE2-CD2 4.14Å; Y363-L412 HydrophobicContact CE2-CG 4.46Å; F371-L412 HydrophobicContact CD1-CD1 4Å; F371-L412 HydrophobicContact CE1-CD1 4.42Å; Q408-L412 PolarHBondContact O-N 3.33Å; S409-L412 PolarHBondContact O-N 3.46Å; R410-L412 VanDerWaalsContact C-N 3.26Å; R410-L412 PolarHBondContact O-N 3.3Å; L412-T414 VanDerWaalsContact C-N 3.25Å; L412-T414 PolarHBondContact O-N 3.29Å; L412-G415 PolarHBondContact O-N 3.43Å
413E95.3Very high95.5Very high128 Ų12867.6 Ų67.660%0.59836%0.356SS*.Hα-helixtrans-55-39.2-179.3-78167.6-156.200113S409 R410S409-E413 WeakPolarHBondContact O-CB 3.26Å; S409-E413 VanDerWaalsContact O-CG 3.28Å; S409-E413 WeakPolarHBondContact O-CG 3.14Å; S409-E413 PolarHBondContact O-N 2.96Å; R410-E413 WeakPolarHBondContact CD-OE2 3.43Å; R410-E413 IonicContact CZ-OE2 3.54Å; R410-E413 IonicContact NH1-OE2 3.34Å; R410-E413 PolarHBondContact NH1-OE2 2.87Å; R410-E413 PolarHBondContact O-N 2.93Å
414T95.9Very high95.5Very high68 Ų6872.7 Ų72.742%0.41739%0.385SS..THydrogen-bonded Turntrans-89.6-3.6-177.657.20000113.3M406 R410 V411 L412 T416 N419M406-T414 HydrophobicContact CE-CG2 4.13Å; M406-T414 WeakPolarHBondContact CE-OG1 3.37Å; R410-T414 WeakPolarHBondContact O-CB 2.86Å; R410-T414 WeakPolarHBondContact O-CG2 3.34Å; R410-T414 PolarHBondContact O-N 2.99Å; R410-T414 PolarHBondContact O-OG1 3.14Å; V411-T414 PolarHBondContact O-OG1 3.31Å; L412-T414 VanDerWaalsContact C-N 3.25Å; L412-T414 PolarHBondContact O-N 3.29Å; T414-T416 PolarHBondContact O-N 3.16Å; T414-T416 PolarHBondContact OG1-OG1 3.34Å; T414-N419 PolarHBondContact O-ND2 2.87Å
415G94.8Very high95.6Very high15 Ų1572.7 Ų72.716%0.15538%0.383CS..THydrogen-bonded Turntrans56.434-172.100000112.5V411 L412 I417 L418 N419V411-G415 PolarHBondContact O-N 3.01Å; L412-G415 PolarHBondContact O-N 3.43Å; G415-I417 VanDerWaalsContact C-N 3.26Å; G415-I417 PolarHBondContact O-N 3.12Å; G415-L418 PolarHBondContact O-N 2.88Å; G415-N419 PolarHBondContact O-N 3.21Å; G415-N419 PolarHBondContact O-ND2 3.49Å; G415-N419 VanDerWaalsContact O-ND2 3.07Å
416T96.6Very high95.8Very high29 Ų2963.3 Ų63.318%0.17835%0.352CS..THydrogen-bonded Turntrans-54.3-43.5-171.8-710000111.9F402 M406 V411 T414 N419 A420F402-T416 HydrophobicContact CB-CG2 4.28Å; M406-T416 WeakPolarHBondContact CE-OG1 3.06Å; V411-T416 PolarHBondContact O-N 3.4Å; T414-T416 PolarHBondContact O-N 3.16Å; T414-T416 PolarHBondContact OG1-OG1 3.34Å; T416-N419 PolarHBondContact O-N 3.34Å; T416-A420 PolarHBondContact O-N 3.1Å
417I96.6Very high95.8Very high2 Ų264.1 Ų64.11%0.0137%0.368CS..THydrogen-bonded Turntrans-74.8-37.4179.1-52.8-55.1000111.5L366 P368 F371 W386 F402 V411 G415 N419 A420L366-I417 WeakPolarHBondContact O-CG2 3.42Å; P368-I417 HydrophobicContact CG-CG2 4.16Å; F371-I417 HydrophobicContact CD2-CB 3.94Å; F371-I417 HydrophobicContact CD2-CG2 3.85Å; F371-I417 HydrophobicContact CE2-CB 3.73Å; F371-I417 HydrophobicContact CE2-CG1 3.85Å; F371-I417 HydrophobicContact CE2-CG2 3.66Å; F371-I417 HydrophobicContact CZ-CB 4.34Å; F371-I417 HydrophobicContact CZ-CG1 4.04Å; W386-I417 HydrophobicContact CZ2-CG2 4.23Å; F402-I417 HydrophobicContact CB-CD1 3.77Å; V411-I417 HydrophobicContact CG1-CD1 4.21Å; V411-I417 HydrophobicContact CG1-CG1 3.71Å; G415-I417 VanDerWaalsContact C-N 3.26Å; G415-I417 PolarHBondContact O-N 3.12Å; I417-N419 PolarHBondContact O-N 3.33Å; I417-A420 VanDerWaalsContact O-CB 3.23Å; I417-A420 WeakPolarHBondContact O-CB 3.04Å; I417-A420 PolarHBondContact O-N 3.21Å
418L94.9Very high95.7Very high67 Ų6769.8 Ų69.835%0.35139%0.385SS..THydrogen-bonded Turntrans-62.7-23.1174.7-70.1172.6000112.8F371 G415 Y445F371-L418 HydrophobicContact CB-CD1 4.2Å; F371-L418 HydrophobicContact CB-CD2 3.75Å; F371-L418 HydrophobicContact CB-CG 3.84Å; G415-L418 PolarHBondContact O-N 2.88Å; L418-Y445 VanDerWaalsContact O-CE2 3.28Å; L418-Y445 WeakPolarHBondContact O-CE2 3.43Å; L418-Y445 PolarHBondContact O-OH 3.47Å
419N95.3Very high95.7Very high116 Ų11669 Ų6962%0.6239%0.387SS*.THydrogen-bonded Turntrans-98.74.5176.4-65.7-47.7000113.3T414 G415 T416 I417 T421T414-N419 PolarHBondContact O-ND2 2.87Å; G415-N419 PolarHBondContact O-N 3.21Å; G415-N419 PolarHBondContact O-ND2 3.49Å; G415-N419 VanDerWaalsContact O-ND2 3.07Å; T416-N419 PolarHBondContact O-N 3.34Å; I417-N419 PolarHBondContact O-N 3.33Å; N419-T421 PolarHBondContact O-N 3.43Å
420A95Very high95.7Very high5 Ų573 Ų734%0.04140%0.397CS..  trans-80.759.8-176.500000112.5W386 F402 T416 I417 S422W386-A420 HydrophobicContact CH2-CB 4.19Å; W386-A420 HydrophobicContact CZ2-CB 4.45Å; F402-A420 HydrophobicContact CD1-CB 3.57Å; F402-A420 HydrophobicContact CD2-CB 4.01Å; F402-A420 HydrophobicContact CE1-CB 3.65Å; F402-A420 HydrophobicContact CE2-CB 4.06Å; F402-A420 HydrophobicContact CG-CB 3.76Å; F402-A420 HydrophobicContact CZ-CB 3.89Å; T416-A420 PolarHBondContact O-N 3.1Å; I417-A420 VanDerWaalsContact O-CB 3.23Å; I417-A420 WeakPolarHBondContact O-CB 3.04Å; I417-A420 PolarHBondContact O-N 3.21Å; A420-S422 VanDerWaalsContact C-N 3.34Å; A420-S422 PolarHBondContact O-N 3.22Å
421T94.8Very high95.7Very high97 Ų9766.9 Ų66.960%0.59538%0.376SS*.  trans-73-23.4-174.656.90000114.2N419 Y445N419-T421 PolarHBondContact O-N 3.43Å; T421-Y445 HydrophobicContact CG2-CD2 4.19Å; T421-Y445 HydrophobicContact CG2-CE2 4.43Å
422S94.6Very high95.7Very high78 Ų7868.1 Ų68.155%0.54538%0.384SS..SBendtrans-151.7152.7177.459.90000111.6A420A420-S422 VanDerWaalsContact C-N 3.34Å; A420-S422 PolarHBondContact O-N 3.22Å
423V96.7Very high95.9Very high21 Ų2169.4 Ų69.413%0.12739%0.392CS..  trans-91136.3177.159.70000111F393 P401 F402 F425 I439 L443F393-V423 HydrophobicContact CD2-CG2 3.89Å; F393-V423 HydrophobicContact CE2-CG2 3.75Å; P401-V423 HydrophobicContact CB-CG2 4.04Å; F402-V423 HydrophobicContact CZ-CB 4.33Å; V423-F425 HydrophobicContact CG1-CE2 3.69Å; V423-F425 HydrophobicContact CG1-CZ 3.71Å; V423-F425 HydrophobicContact CG2-CE1 4.37Å; V423-F425 HydrophobicContact CG2-CE2 4.5Å; V423-F425 HydrophobicContact CG2-CZ 4.23Å; V423-I439 HydrophobicContact CG2-CG2 4.42Å; V423-L443 HydrophobicContact CB-CD1 4.15Å; V423-L443 HydrophobicContact CG2-CD1 4.01Å
424V97Very high95.9Very high116 Ų11668.3 Ų68.370%0.70339%0.387SS*.  trans-109123175.5-179.60000109.7
425F97.7Very high96Very high51 Ų5165.1 Ų65.122%0.22437%0.367CS..  trans-91.6126.3-178.3-64.3-81.2000111.9F393 Y397 V423 K436 I439F393-F425 HydrophobicContact CD2-CD1 4.27Å; F393-F425 HydrophobicContact CD2-CE1 4.17Å; F393-F425 AromaticContact CE2-CD1 3.98Å; F393-F425 HydrophobicContact CE2-CD1 3.98Å; F393-F425 HydrophobicContact CE2-CE1 4.3Å; Y397-F425 AromaticContact CE2-CD1 3.84Å; Y397-F425 HydrophobicContact CE2-CD1 3.84Å; V423-F425 HydrophobicContact CG1-CE2 3.69Å; V423-F425 HydrophobicContact CG1-CZ 3.71Å; V423-F425 HydrophobicContact CG2-CE1 4.37Å; V423-F425 HydrophobicContact CG2-CE2 4.5Å; V423-F425 HydrophobicContact CG2-CZ 4.23Å; F425-K436 HydrophobicContact CD1-CB 4.46Å; F425-K436 HydrophobicContact CD1-CD 4.29Å; F425-K436 HydrophobicContact CD1-CG 3.85Å; F425-K436 HydrophobicContact CD2-CD 4.28Å; F425-K436 HydrophobicContact CD2-CG 4.41Å; F425-K436 HydrophobicContact CE1-CB 3.96Å; F425-K436 HydrophobicContact CE1-CG 3.79Å; F425-K436 HydrophobicContact CE2-CB 4.09Å; F425-K436 HydrophobicContact CE2-CG 4.36Å; F425-K436 HydrophobicContact CG-CD 4.11Å; F425-K436 HydrophobicContact CG-CG 4.16Å; F425-K436 HydrophobicContact CZ-CB 3.75Å; F425-K436 HydrophobicContact CZ-CG 4.06Å; F425-I439 HydrophobicContact CE1-CB 4.15Å; F425-I439 HydrophobicContact CE1-CD1 4.04Å; F425-I439 HydrophobicContact CE1-CG2 3.97Å; F425-I439 HydrophobicContact CZ-CB 4.17Å; F425-I439 HydrophobicContact CZ-CG2 4Å
426P96.6Very high96.2Very high34 Ų3466.8 Ų66.822%0.22137%0.37CS..  trans-60.3150.8170.6-23.733.8000112.5F393 Y397 K428F393-P426 HydrophobicContact CZ-CG 4.3Å; Y397-P426 HydrophobicContact CD1-CB 3.81Å; Y397-P426 HydrophobicContact CD1-CG 3.66Å; Y397-P426 HydrophobicContact CE1-CB 4.01Å; Y397-P426 HydrophobicContact CE1-CG 4.1Å; Y397-P426 HydrophobicContact CG-CG 4.03Å; P426-K428 VanDerWaalsContact C-N 3.25Å; P426-K428 PolarHBondContact O-N 3.08Å
427A95.1Very high96.3Very high79 Ų7969.6 Ų69.665%0.65338%0.384SS*.SBendtrans-70-19.617700000113.6Q430A427-Q430 PolarHBondContact O-NE2 2.9Å
428K93.9Very high96.4Very high176 Ų17669.5 Ų69.577%0.76538%0.383SS*.SBendtrans-136.5143.8177.5-69.1-173.3179.3-178.90110.8P426P426-K428 VanDerWaalsContact C-N 3.25Å; P426-K428 PolarHBondContact O-N 3.08Å
429P95Very high96.6Very high54 Ų5466.3 Ų66.335%0.35137%0.366SS..SBendcis-66162.5-930-35.1000112L396 V431L396-P429 WeakPolarHBondContact O-CD 3.45Å; L396-P429 WeakPolarHBondContact O-CG 3.28Å; P429-V431 HydrophobicContact CG-CG1 4.37Å; P429-V431 PolarHBondContact O-N 2.91Å
430Q96.2Very high96.7Very high160 Ų16062.7 Ų62.775%0.74835%0.35SS*.  trans-72.9125.8170.2-68.8-70.8-48.800108.1A427A427-Q430 PolarHBondContact O-NE2 2.9Å
431V96.9Very high96.9Very high14 Ų1464 Ų649%0.08536%0.359CS..  trans-125.4153.8178-52.80000108.7E286 L396 Y397 P429 K436E286-V431 WeakPolarHBondContact OE2-CA 3.38Å; L396-V431 HydrophobicContact CB-CG1 4.13Å; L396-V431 HydrophobicContact CD1-CB 4.31Å; L396-V431 HydrophobicContact CD1-CG1 4.09Å; L396-V431 HydrophobicContact CD2-CG1 4.38Å; L396-V431 HydrophobicContact CG-CG1 4.44Å; Y397-V431 HydrophobicContact CE1-CG1 4.35Å; Y397-V431 HydrophobicContact CE2-CG2 4.43Å; Y397-V431 WeakPolarHBondContact OH-CG2 3.47Å; P429-V431 HydrophobicContact CG-CG1 4.37Å; P429-V431 PolarHBondContact O-N 2.91Å; V431-K436 HydrophobicContact CG2-CD 4.22Å; V431-K436 VanDerWaalsContact CG2-CE 3.44Å; V431-K436 HydrophobicContact CG2-CG 3.75Å
432S96.8Very high97Very high29 Ų2959.4 Ų59.420%0.20333%0.33CS..  trans-61.5153.5-178.372.50000112.8E286 E434 A435 K436E286-S432 VanDerWaalsContact OE1-CB 3.28Å; E286-S432 WeakPolarHBondContact OE1-CB 3.21Å; E286-S432 PolarHBondContact OE1-OG 3.44Å; E286-S432 PolarHBondContact OE2-N 3.41Å; S432-E434 VanDerWaalsContact CB-OE2 3.27Å; S432-E434 WeakPolarHBondContact CB-OE2 3.28Å; S432-E434 PolarHBondContact O-N 3.03Å; S432-A435 PolarHBondContact O-N 2.72Å; S432-A435 VanDerWaalsContact OG-CB 3.31Å; S432-A435 WeakPolarHBondContact OG-CB 3.44Å; S432-A435 PolarHBondContact OG-N 3.21Å; S432-A435 VanDerWaalsContact OG-N 3.1Å; S432-K436 PolarHBondContact O-N 3.46Å
433N97.2Very high97.2Very high119 Ų11956 Ų5664%0.63631%0.306SS*.Hα-helixtrans-66.4-32175.8-73.1-26000110.8A435 K436 D437N433-A435 VanDerWaalsContact C-N 3.34Å; N433-A435 PolarHBondContact O-N 3.41Å; N433-K436 PolarHBondContact O-N 2.85Å; N433-D437 VanDerWaalsContact O-CB 3.31Å; N433-D437 WeakPolarHBondContact O-CB 3.43Å; N433-D437 PolarHBondContact O-N 3.12Å
434E96.9Very high97.3Very high105 Ų10558.4 Ų58.449%0.49132%0.316SS..Hα-helixtrans-65.7-36.3177-59.377.6-171.800111.7S432 F438 Y461S432-E434 VanDerWaalsContact CB-OE2 3.27Å; S432-E434 WeakPolarHBondContact CB-OE2 3.28Å; S432-E434 PolarHBondContact O-N 3.03Å; E434-F438 WeakPolarHBondContact O-CB 3.32Å; E434-F438 PolarHBondContact O-N 3.01Å; E434-Y461 HydrophobicContact CB-CD2 3.76Å; E434-Y461 HydrophobicContact CB-CG 4.49Å
435A98Very high97.3Very high0 Ų057.5 Ų57.50%030%0.3CS..Hα-helixtrans-66.7-42.5173.100000111.7E286 F392 L396 S432 N433 F438 I439 Y461E286-A435 HydrophobicContact CG-CB 4.49Å; F392-A435 HydrophobicContact CE1-CB 4.18Å; F392-A435 HydrophobicContact CZ-CB 3.85Å; L396-A435 HydrophobicContact CD1-CB 4.22Å; S432-A435 PolarHBondContact O-N 2.72Å; S432-A435 VanDerWaalsContact OG-CB 3.31Å; S432-A435 WeakPolarHBondContact OG-CB 3.44Å; S432-A435 PolarHBondContact OG-N 3.21Å; S432-A435 VanDerWaalsContact OG-N 3.1Å; N433-A435 VanDerWaalsContact C-N 3.34Å; N433-A435 PolarHBondContact O-N 3.41Å; A435-F438 PolarHBondContact O-N 3.07Å; A435-I439 WeakPolarHBondContact O-CG1 3.35Å; A435-I439 PolarHBondContact O-N 2.94Å; A435-Y461 HydrophobicContact CB-CD2 4.22Å; A435-Y461 HydrophobicContact CB-CE2 3.61Å
436K98.3Very high97.2Very high51 Ų5156.8 Ų56.822%0.22230%0.302CS..Hα-helixtrans-64.6-43.2176.9-66178-176.7171.30111.6F425 V431 S432 N433 I439 C440F425-K436 HydrophobicContact CD1-CB 4.46Å; F425-K436 HydrophobicContact CD1-CD 4.29Å; F425-K436 HydrophobicContact CD1-CG 3.85Å; F425-K436 HydrophobicContact CD2-CD 4.28Å; F425-K436 HydrophobicContact CD2-CG 4.41Å; F425-K436 HydrophobicContact CE1-CB 3.96Å; F425-K436 HydrophobicContact CE1-CG 3.79Å; F425-K436 HydrophobicContact CE2-CB 4.09Å; F425-K436 HydrophobicContact CE2-CG 4.36Å; F425-K436 HydrophobicContact CG-CD 4.11Å; F425-K436 HydrophobicContact CG-CG 4.16Å; F425-K436 HydrophobicContact CZ-CB 3.75Å; F425-K436 HydrophobicContact CZ-CG 4.06Å; V431-K436 HydrophobicContact CG2-CD 4.22Å; V431-K436 VanDerWaalsContact CG2-CE 3.44Å; V431-K436 HydrophobicContact CG2-CG 3.75Å; S432-K436 PolarHBondContact O-N 3.46Å; N433-K436 PolarHBondContact O-N 2.85Å; K436-I439 WeakPolarHBondContact O-CB 3.48Å; K436-I439 PolarHBondContact O-N 3.47Å; K436-C440 PolarHBondContact O-N 2.83Å; K436-C440 PolarHBondContact O-SG 2.85Å
437D98.2Very high97Very high87 Ų8757.6 Ų57.647%0.46530%0.301SS..Hα-helixtrans-58-48.4175.4-176.359.9000111.2N433 I439 C440 C441 H459N433-D437 VanDerWaalsContact O-CB 3.31Å; N433-D437 WeakPolarHBondContact O-CB 3.43Å; N433-D437 PolarHBondContact O-N 3.12Å; D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 3.47Å; D437-C440 WeakPolarHBondContact O-CA 3.26Å; D437-C440 WeakPolarHBondContact O-CB 3.38Å; D437-C440 PolarHBondContact O-N 2.84Å; D437-C441 PolarHBondContact O-N 2.83Å; D437-C441 PolarHBondContact O-SG 3.44Å; D437-H459 IonicContact OD2-CE1 3.77Å; D437-H459 PolarHBondContact OD2-CE1 3.22Å; D437-H459 VanDerWaalsContact OD2-CE1 3.3Å; D437-H459 IonicContact OD2-NE2 2.77Å; D437-H459 PolarHBondContact OD2-NE2 3.44Å
438F98.6Very high97Very high0 Ų059.8 Ų59.80%030%0.297CS..Hα-helixtrans-57.1-43.6174.4-174.2-82.3000112.4I293 V297 L388 F392 E434 A435 C441 C442 L456 H459 Y461 L462I293-F438 HydrophobicContact CG2-CE1 3.7Å; I293-F438 HydrophobicContact CG2-CZ 3.82Å; V297-F438 HydrophobicContact CG2-CZ 4.04Å; L388-F438 HydrophobicContact CD2-CE1 4.24Å; L388-F438 HydrophobicContact CD2-CZ 4.19Å; F392-F438 AromaticContact CD1-CD1 3.66Å; F392-F438 HydrophobicContact CD1-CD1 3.66Å; F392-F438 HydrophobicContact CD1-CE1 4.19Å; F392-F438 HydrophobicContact CE1-CB 4.36Å; F392-F438 AromaticContact CE1-CD1 3.85Å; F392-F438 HydrophobicContact CE1-CD1 3.85Å; F392-F438 HydrophobicContact CE1-CG 4.4Å; E434-F438 WeakPolarHBondContact O-CB 3.32Å; E434-F438 PolarHBondContact O-N 3.01Å; A435-F438 PolarHBondContact O-N 3.07Å; F438-C441 PolarHBondContact O-N 3.26Å; F438-C442 PolarHBondContact O-N 3.16Å; F438-C442 PolarHBondContact O-SG 3.35Å; F438-L456 HydrophobicContact CD2-CD2 4.3Å; F438-L456 HydrophobicContact CE2-CB 4.14Å; F438-L456 HydrophobicContact CE2-CD2 3.86Å; F438-L456 HydrophobicContact CE2-CG 4.45Å; F438-L456 HydrophobicContact CZ-CB 4.24Å; F438-L456 HydrophobicContact CZ-CD1 4.15Å; F438-L456 HydrophobicContact CZ-CD2 4.03Å; F438-L456 HydrophobicContact CZ-CG 4.39Å; F438-H459 HydrophobicContact CD2-CB 3.91Å; F438-H459 AromaticContact CD2-CG 3.62Å; F438-H459 AromaticContact CD2-ND1 3.68Å; F438-H459 HydrophobicContact CE2-CB 4.08Å; F438-Y461 HydrophobicContact CB-CD1 3.95Å; F438-Y461 HydrophobicContact CB-CG 4.13Å; F438-Y461 HydrophobicContact CD2-CD1 4Å; F438-Y461 AromaticContact CG-CD1 3.9Å; F438-Y461 HydrophobicContact CG-CD1 3.9Å; F438-Y461 HydrophobicContact CG-CG 4.49Å; F438-L462 HydrophobicContact CD2-CD2 4.4Å; F438-L462 HydrophobicContact CD2-CG 4.3Å; F438-L462 HydrophobicContact CE2-CD1 3.76Å; F438-L462 HydrophobicContact CE2-CD2 4Å; F438-L462 HydrophobicContact CE2-CG 3.79Å; F438-L462 HydrophobicContact CZ-CD1 4.23Å; F438-L462 HydrophobicContact CZ-CD2 4.4Å
439I98.7Very high97.1Very high0 Ų056.8 Ų56.80%029%0.289CS..Hα-helixtrans-62.4-43.6175.4-69.5169.1000110.8F392 F393 L396 V423 F425 A435 K436 D437 C441 C442 L443F392-I439 HydrophobicContact CB-CG1 4.38Å; F392-I439 HydrophobicContact CD1-CD1 3.83Å; F392-I439 HydrophobicContact CD1-CG1 3.34Å; F392-I439 HydrophobicContact CE1-CD1 4.08Å; F392-I439 HydrophobicContact CE1-CG1 3.79Å; F392-I439 HydrophobicContact CG-CD1 4.27Å; F392-I439 HydrophobicContact CG-CG1 4.09Å; F393-I439 HydrophobicContact CB-CD1 4.16Å; F393-I439 HydrophobicContact CB-CG2 4.48Å; F393-I439 HydrophobicContact CD2-CD1 4.41Å; F393-I439 HydrophobicContact CD2-CG2 4.34Å; L396-I439 HydrophobicContact CD1-CD1 3.95Å; V423-I439 HydrophobicContact CG2-CG2 4.42Å; F425-I439 HydrophobicContact CE1-CB 4.15Å; F425-I439 HydrophobicContact CE1-CD1 4.04Å; F425-I439 HydrophobicContact CE1-CG2 3.97Å; F425-I439 HydrophobicContact CZ-CB 4.17Å; F425-I439 HydrophobicContact CZ-CG2 4Å; A435-I439 WeakPolarHBondContact O-CG1 3.35Å; A435-I439 PolarHBondContact O-N 2.94Å; K436-I439 WeakPolarHBondContact O-CB 3.48Å; K436-I439 PolarHBondContact O-N 3.47Å; D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 3.47Å; I439-C441 VanDerWaalsContact C-N 3.33Å; I439-C441 PolarHBondContact O-N 3.01Å; I439-C442 WeakPolarHBondContact O-CB 3.18Å; I439-C442 PolarHBondContact O-N 3.45Å; I439-C442 VanDerWaalsContact O-N 3.1Å; I439-L443 HydrophobicContact CG2-CD1 3.58Å; I439-L443 HydrophobicContact CG2-CG 4.1Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.31Å; I439-L443 PolarHBondContact O-N 3.03Å
440C98.4Very high97.2Very high40 Ų4054.3 Ų54.327%0.2727%0.273SS..Hα-helixtrans-61.8-38.5176.8-71.50000112.3K436 D437 C442 L443 Q444K436-C440 PolarHBondContact O-N 2.83Å; K436-C440 PolarHBondContact O-SG 2.85Å; D437-C440 WeakPolarHBondContact O-CA 3.26Å; D437-C440 WeakPolarHBondContact O-CB 3.38Å; D437-C440 PolarHBondContact O-N 2.84Å; C440-C442 PolarHBondContact O-N 2.92Å; C440-L443 PolarHBondContact O-N 2.89Å; C440-Q444 WeakPolarHBondContact O-CG 3.29Å; C440-Q444 PolarHBondContact O-NE2 3.24Å
441C98.3Very high97.3Very high34 Ų3447.2 Ų47.223%0.2324%0.242CC..Hα-helixtrans-62.8-31.7173.8-68.20000112.7D437 F438 I439 A451 L456D437-C441 PolarHBondContact O-N 2.83Å; D437-C441 PolarHBondContact O-SG 3.44Å; F438-C441 PolarHBondContact O-N 3.26Å; I439-C441 VanDerWaalsContact C-N 3.33Å; I439-C441 PolarHBondContact O-N 3.01Å; C441-A451 HydrophobicContact CB-CB 4.05Å; C441-A451 PolarHBondContact O-N 3.45Å; C441-L456 HydrophobicContact CB-CD2 4.12Å
442C98.6Very high97.3Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-80.5-39.4177.6-610000112.9V385 G389 F438 I439 C440 Q444 R450V385-C442 HydrophobicContact CG1-CB 4.11Å; V385-C442 WeakPolarHBondContact O-CB 3.45Å; G389-C442 VanDerWaalsContact CA-CB 3.48Å; F438-C442 PolarHBondContact O-N 3.16Å; F438-C442 PolarHBondContact O-SG 3.35Å; I439-C442 WeakPolarHBondContact O-CB 3.18Å; I439-C442 PolarHBondContact O-N 3.45Å; I439-C442 VanDerWaalsContact O-N 3.1Å; C440-C442 PolarHBondContact O-N 2.92Å; C442-Q444 PolarHBondContact O-N 3.3Å; C442-R450 WeakPolarHBondContact O-CD 3.28Å; C442-R450 VanDerWaalsContact O-CG 3.26Å; C442-R450 WeakPolarHBondContact O-CG 3.22Å
443L98.5Very high97.4Very high5 Ų547.4 Ų47.43%0.02624%0.241CC..  trans-98.940.9-171.9-59.2-175.7000112.7W386 V390 P401 F402 V423 I439 C440W386-L443 HydrophobicContact CD2-CD2 3.86Å; W386-L443 HydrophobicContact CE3-CD2 4.06Å; W386-L443 HydrophobicContact CG-CD2 4.23Å; W386-L443 HydrophobicContact CZ3-CB 4.46Å; W386-L443 HydrophobicContact CZ3-CD2 4.47Å; V390-L443 HydrophobicContact CG2-CD2 3.84Å; P401-L443 HydrophobicContact CB-CD1 4.25Å; P401-L443 HydrophobicContact CG-CD1 3.99Å; F402-L443 HydrophobicContact CE2-CD1 4.1Å; F402-L443 HydrophobicContact CE2-CD2 4.37Å; F402-L443 HydrophobicContact CZ-CD1 4.36Å; V423-L443 HydrophobicContact CB-CD1 4.15Å; V423-L443 HydrophobicContact CG2-CD1 4.01Å; I439-L443 HydrophobicContact CG2-CD1 3.58Å; I439-L443 HydrophobicContact CG2-CG 4.1Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 WeakPolarHBondContact O-CG 3.31Å; I439-L443 PolarHBondContact O-N 3.03Å; C440-L443 PolarHBondContact O-N 2.89Å
444Q98.1Very high97.4Very high72 Ų7245.1 Ų45.134%0.33623%0.225SC..  trans-77.2130.7167.6-65.9-62.4-38.200109.8W386 C440 C442 D449 R450W386-Q444 WeakPolarHBondContact CZ3-O 3.39Å; C440-Q444 WeakPolarHBondContact O-CG 3.29Å; C440-Q444 PolarHBondContact O-NE2 3.24Å; C442-Q444 PolarHBondContact O-N 3.3Å; Q444-D449 HydrophobicContact CB-CB 4.24Å; Q444-D449 HydrophobicContact CG-CB 4.28Å; Q444-R450 HydrophobicContact CB-CB 3.84Å; Q444-R450 HydrophobicContact CB-CG 4.28Å; Q444-R450 PolarHBondContact O-NE 3.18Å; Q444-R450 VanDerWaalsContact O-NE 3.07Å; Q444-R450 PolarHBondContact O-NH2 2.91Å
445Y97Very high97.5Very high97 Ų9745.4 Ų45.438%0.3823%0.226SC..SBendtrans-59.6-53.9178.9179.7-92.6000111.1P368 L418 T421 R450P368-Y445 HydrophobicContact CB-CD2 4.15Å; P368-Y445 HydrophobicContact CB-CE2 3.71Å; P368-Y445 HydrophobicContact CG-CD2 3.64Å; P368-Y445 HydrophobicContact CG-CE2 3.7Å; P368-Y445 HydrophobicContact CG-CG 4.44Å; L418-Y445 VanDerWaalsContact O-CE2 3.28Å; L418-Y445 WeakPolarHBondContact O-CE2 3.43Å; L418-Y445 PolarHBondContact O-OH 3.47Å; T421-Y445 HydrophobicContact CG2-CD2 4.19Å; T421-Y445 HydrophobicContact CG2-CE2 4.43Å; Y445-R450 PolarHBondContact O-NH2 3.41Å
446S95Very high97.5Very high37 Ų3745.5 Ų45.526%0.25923%0.227SC..SBendtrans-71.2131.2173.8177.80000110.1E448 D449 R450S446-E448 VanDerWaalsContact C-N 3.26Å; S446-E448 PolarHBondContact O-N 3.42Å; S446-E448 PolarHBondContact OG-OE2 3.15Å; S446-D449 WeakPolarHBondContact CB-OD2 3.48Å; S446-D449 PolarHBondContact O-N 2.76Å; S446-D449 PolarHBondContact OG-OD2 3.4Å; S446-R450 PolarHBondContact O-N 2.93Å
447R93.7Very high97.5Very high51 Ų5148 Ų4819%0.19224%0.235CC..THydrogen-bonded Turntrans-70.3-25.6179.867.3-179.2-172.516811.9112V351 K378 K382V351-R447 VanDerWaalsContact O-CZ 3.31Å; V351-R447 PolarHBondContact O-NH1 2.99Å; V351-R447 PolarHBondContact O-NH2 2.9Å; V351-R447 VanDerWaalsContact O-NH2 3.09Å; K378-R447 PolarHBondContact O-NH1 3.42Å; K382-R447 WeakPolarHBondContact CD-O 3.46Å; K382-R447 WeakPolarHBondContact CE-O 3.49Å
448E93.9Very high97.4Very high124 Ų12448.7 Ų48.758%0.57924%0.239SC*.THydrogen-bonded Turntrans-69.5-36.9178.4-6870.3-155.200111.2S446S446-E448 VanDerWaalsContact C-N 3.26Å; S446-E448 PolarHBondContact O-N 3.42Å; S446-E448 PolarHBondContact OG-OE2 3.15Å
449D96.7Very high97.3Very high113 Ų11349.8 Ų49.860%0.60424%0.244SC*.THydrogen-bonded Turntrans-83.4-21178.9-59.3-49.4000112.4Q444 S446Q444-D449 HydrophobicContact CB-CB 4.24Å; Q444-D449 HydrophobicContact CG-CB 4.28Å; S446-D449 WeakPolarHBondContact CB-OD2 3.48Å; S446-D449 PolarHBondContact O-N 2.76Å; S446-D449 PolarHBondContact OG-OD2 3.4Å
450R97.8Very high97.1Very high2 Ų255.5 Ų55.51%0.00827%0.271CS..SBendtrans-67133.6178.9-163.6-178.2-54.6145.18110.5E369 K382 V385 C442 Q444 Y445 S446E369-R450 IonicContact OE1-CZ 3.75Å; E369-R450 IonicContact OE1-NH1 2.63Å; E369-R450 PolarHBondContact OE1-NH1 2.91Å; E369-R450 IonicContact OE1-NH2 3.56Å; E369-R450 PolarHBondContact OE1-NH2 3.45Å; E369-R450 IonicContact OE2-CZ 2.81Å; E369-R450 IonicContact OE2-NH1 3.99Å; E369-R450 IonicContact OE2-NH2 2.94Å; E369-R450 PolarHBondContact OE2-NH2 2.89Å; K382-R450 HydrophobicContact CD-CB 4.25Å; K382-R450 WeakPolarHBondContact CD-O 3.44Å; K382-R450 WeakPolarHBondContact CE-O 3.45Å; K382-R450 WeakPolarHBondContact O-CD 3.31Å; K382-R450 PolarHBondContact O-NH1 2.86Å; V385-R450 HydrophobicContact CG1-CG 4.05Å; C442-R450 WeakPolarHBondContact O-CD 3.28Å; C442-R450 VanDerWaalsContact O-CG 3.26Å; C442-R450 WeakPolarHBondContact O-CG 3.22Å; Q444-R450 HydrophobicContact CB-CB 3.84Å; Q444-R450 HydrophobicContact CB-CG 4.28Å; Q444-R450 PolarHBondContact O-NE 3.18Å; Q444-R450 VanDerWaalsContact O-NE 3.07Å; Q444-R450 PolarHBondContact O-NH2 2.91Å; Y445-R450 PolarHBondContact O-NH2 3.41Å; S446-R450 PolarHBondContact O-N 2.93Å
451A97.9Very high97Very high11 Ų1153.9 Ų53.99%0.09126%0.259CS..PPolyproline II helixtrans-60143.817700000111.2V385 C441 Q455 L456V385-A451 WeakPolarHBondContact CG1-O 3.41Å; C441-A451 HydrophobicContact CB-CB 4.05Å; C441-A451 PolarHBondContact O-N 3.45Å; A451-Q455 VanDerWaalsContact CA-OE1 3.27Å; A451-Q455 HydrophobicContact CB-CB 4.2Å; A451-L456 HydrophobicContact CB-CD2 3.74Å; A451-L456 HydrophobicContact CB-CG 4.02Å
452D97.4Very high96.9Very high43 Ų4352.8 Ų52.823%0.2325%0.251CS..PPolyproline II helixtrans-81.5170.3163.770.642.3000111.5F454 Q455 L456D452-F454 PolarHBondContact O-N 3Å; D452-F454 WeakPolarHBondContact OD1-CA 3.27Å; D452-F454 WeakPolarHBondContact OD1-CB 3.37Å; D452-F454 PolarHBondContact OD1-N 3.22Å; D452-Q455 PolarHBondContact O-N 3.23Å; D452-Q455 WeakPolarHBondContact OD1-CG 3.32Å; D452-Q455 PolarHBondContact OD1-N 3.34Å; D452-L456 WeakPolarHBondContact O-CG 3.5Å; D452-L456 PolarHBondContact O-N 2.86Å
453V97.8Very high96.5Very high5 Ų557 Ų573%0.0327%0.27CS..Hα-helixtrans-66.5-25.3-176.671.50000113.3V297 L300 K301 N304 Y457V297-V453 HydrophobicContact CG1-CG2 4.26Å; L300-V453 HydrophobicContact CB-CG2 3.59Å; K301-V453 HydrophobicContact CB-CG1 4.48Å; K301-V453 HydrophobicContact CB-CG2 4.11Å; N304-V453 HydrophobicContact CB-CG1 3.77Å; V453-Y457 VanDerWaalsContact O-CB 3.3Å; V453-Y457 WeakPolarHBondContact O-CB 3.38Å; V453-Y457 PolarHBondContact O-N 3.35Å
454F98Very high95.7Very high70 Ų7062.2 Ų62.231%0.30730%0.304SS..Hα-helixtrans-74.9-39.1178.2-54.8-76.3000111.1K301 N304 E305 D452 Y457 N458K301-F454 HydrophobicContact CD-CD1 4.47Å; K301-F454 HydrophobicContact CG-CD1 4.16Å; K301-F454 HydrophobicContact CG-CE1 4.07Å; N304-F454 HydrophobicContact CB-CE2 4.43Å; N304-F454 HydrophobicContact CB-CZ 4.08Å; N304-F454 WeakPolarHBondContact OD1-CE2 3.36Å; N304-F454 VanDerWaalsContact OD1-CZ 3.26Å; N304-F454 WeakPolarHBondContact OD1-CZ 3.42Å; E305-F454 HydrophobicContact CG-CE1 3.64Å; E305-F454 HydrophobicContact CG-CZ 4.02Å; D452-F454 PolarHBondContact O-N 3Å; D452-F454 WeakPolarHBondContact OD1-CA 3.27Å; D452-F454 WeakPolarHBondContact OD1-CB 3.37Å; D452-F454 PolarHBondContact OD1-N 3.22Å; F454-Y457 PolarHBondContact O-N 2.74Å; F454-N458 PolarHBondContact O-N 3.2Å; F454-N458 PolarHBondContact O-ND2 2.67Å
455Q98.3Very high94.7Very high112 Ų11267 Ų6752%0.52332%0.323SS..Hα-helixtrans-62.2-46.7170.7-67.7173-45.400110.4A451 D452 Y457 N458 H459A451-Q455 VanDerWaalsContact CA-OE1 3.27Å; A451-Q455 HydrophobicContact CB-CB 4.2Å; D452-Q455 PolarHBondContact O-N 3.23Å; D452-Q455 WeakPolarHBondContact OD1-CG 3.32Å; D452-Q455 PolarHBondContact OD1-N 3.34Å; Q455-Y457 PolarHBondContact O-N 2.98Å; Q455-N458 CarbonylContact O-C 3.2Å; Q455-N458 PolarHBondContact O-N 2.86Å; Q455-H459 PolarHBondContact O-N 3.4Å; Q455-H459 VanDerWaalsContact O-N 3.08Å
456L98.2Very high93.2Very high1 Ų167 Ų671%0.00534%0.338CS..Hα-helixtrans-62.4-40.4176.8-68.3-171.7000113V297 V385 L388 F438 C441 A451 D452 N458 H459 L462V297-L456 HydrophobicContact CG1-CB 4.27Å; V385-L456 HydrophobicContact CB-CD1 4.35Å; V385-L456 HydrophobicContact CG1-CD1 3.61Å; V385-L456 HydrophobicContact CG2-CD1 4.07Å; L388-L456 HydrophobicContact CD2-CD1 3.98Å; F438-L456 HydrophobicContact CD2-CD2 4.3Å; F438-L456 HydrophobicContact CE2-CB 4.14Å; F438-L456 HydrophobicContact CE2-CD2 3.86Å; F438-L456 HydrophobicContact CE2-CG 4.45Å; F438-L456 HydrophobicContact CZ-CB 4.24Å; F438-L456 HydrophobicContact CZ-CD1 4.15Å; F438-L456 HydrophobicContact CZ-CD2 4.03Å; F438-L456 HydrophobicContact CZ-CG 4.39Å; C441-L456 HydrophobicContact CB-CD2 4.12Å; A451-L456 HydrophobicContact CB-CD2 3.74Å; A451-L456 HydrophobicContact CB-CG 4.02Å; D452-L456 WeakPolarHBondContact O-CG 3.5Å; D452-L456 PolarHBondContact O-N 2.86Å; L456-N458 PolarHBondContact O-N 2.9Å; L456-H459 WeakPolarHBondContact O-CB 3.32Å; L456-H459 PolarHBondContact O-N 2.85Å; L456-H459 VanDerWaalsContact O-N 3.1Å; L456-L462 VanDerWaalsContact O-CD1 3.29Å; L456-L462 WeakPolarHBondContact O-CD1 3.31Å
457Y97.6Very high91.2Very high103 Ų10374 Ų7440%0.40437%0.366SS..Hα-helixtrans-59.8-32.4177.6-174.4-93.3000112.4V297 R298 K301 V453 F454 Q455V297-Y457 HydrophobicContact CG1-CD2 4.12Å; R298-Y457 HydrophobicContact CB-CE2 4.44Å; R298-Y457 HydrophobicContact CG-CE2 4.43Å; K301-Y457 HydrophobicContact CD-CD1 3.98Å; K301-Y457 HydrophobicContact CD-CD2 3.62Å; K301-Y457 HydrophobicContact CD-CE1 4.32Å; K301-Y457 HydrophobicContact CD-CE2 3.99Å; K301-Y457 HydrophobicContact CD-CG 3.62Å; V453-Y457 VanDerWaalsContact O-CB 3.3Å; V453-Y457 WeakPolarHBondContact O-CB 3.38Å; V453-Y457 PolarHBondContact O-N 3.35Å; F454-Y457 PolarHBondContact O-N 2.74Å; Q455-Y457 PolarHBondContact O-N 2.98Å
458N96.7Very high89.1Confident102 Ų10280.5 Ų80.555%0.54540%0.395SS..THydrogen-bonded Turntrans-97.15.4178.8-66.5-62.1000113.7F454 Q455 L456 K463F454-N458 PolarHBondContact O-N 3.2Å; F454-N458 PolarHBondContact O-ND2 2.67Å; Q455-N458 CarbonylContact O-C 3.2Å; Q455-N458 PolarHBondContact O-N 2.86Å; L456-N458 PolarHBondContact O-N 2.9Å; N458-K463 WeakPolarHBondContact O-CE 3.41Å
459H97.3Very high86.7Confident24 Ų2482.1 Ų82.111%0.11141%0.405CS..  trans-64.6140.5-177.6-166.3-76.7000111.7D437 F438 Q455 L456 Y461 L462D437-H459 IonicContact OD2-CE1 3.77Å; D437-H459 PolarHBondContact OD2-CE1 3.22Å; D437-H459 VanDerWaalsContact OD2-CE1 3.3Å; D437-H459 IonicContact OD2-NE2 2.77Å; D437-H459 PolarHBondContact OD2-NE2 3.44Å; F438-H459 HydrophobicContact CD2-CB 3.91Å; F438-H459 AromaticContact CD2-CG 3.62Å; F438-H459 AromaticContact CD2-ND1 3.68Å; F438-H459 HydrophobicContact CE2-CB 4.08Å; Q455-H459 PolarHBondContact O-N 3.4Å; Q455-H459 VanDerWaalsContact O-N 3.08Å; L456-H459 WeakPolarHBondContact O-CB 3.32Å; L456-H459 PolarHBondContact O-N 2.85Å; L456-H459 VanDerWaalsContact O-N 3.1Å; H459-Y461 VanDerWaalsContact C-N 3.27Å; H459-Y461 VanDerWaalsContact ND1-CB 3.33Å; H459-Y461 WeakPolarHBondContact ND1-CB 3.36Å; H459-Y461 PolarHBondContact ND1-N 3.34Å; H459-Y461 VanDerWaalsContact ND1-N 3.15Å; H459-Y461 PolarHBondContact O-N 3.4Å; H459-L462 PolarHBondContact O-N 2.89Å
460E94.5Very high84Confident119 Ų11986.6 Ų86.656%0.55642%0.422SS*.G310 helixtrans-58.1-39.4-174.6-166.560-157.500112.5L462 K463E460-L462 PolarHBondContact O-N 3.37Å; E460-L462 VanDerWaalsContact O-N 3.13Å; E460-K463 PolarHBondContact O-N 3.4Å; E460-K463 WeakPolarHBondContact OE2-CD 3.16Å; E460-K463 IonicContact OE2-NZ 2.72Å; E460-K463 PolarHBondContact OE2-NZ 2.94Å
461Y96.3Very high81.2Confident6 Ų689.8 Ų89.82%0.02445%0.449CS..G310 helixtrans-49.4-37.2173.7-178.7-114.1000114.5E286 R290 F392 E434 A435 F438 H459E286-Y461 WeakPolarHBondContact CG-OH 3.5Å; R290-Y461 HydrophobicContact CB-CE1 4.23Å; R290-Y461 WeakPolarHBondContact CB-OH 3.47Å; R290-Y461 HydrophobicContact CG-CE1 3.87Å; R290-Y461 PolarHBondContact NE-O 3.42Å; R290-Y461 PolarHBondContact NH1-O 3.06Å; R290-Y461 PolarHBondContact NH2-O 3.11Å; F392-Y461 HydrophobicContact CE1-CD1 4.3Å; F392-Y461 AromaticContact CE1-CE1 3.69Å; F392-Y461 HydrophobicContact CE1-CE1 3.69Å; F392-Y461 HydrophobicContact CE2-CE1 4.33Å; F392-Y461 HydrophobicContact CZ-CD1 4.41Å; F392-Y461 AromaticContact CZ-CE1 3.4Å; F392-Y461 HydrophobicContact CZ-CE1 3.4Å; F392-Y461 VanDerWaalsContact CZ-CE1 3.4Å; F392-Y461 AromaticContact CZ-CZ 3.49Å; F392-Y461 VanDerWaalsContact CZ-CZ 3.49Å; F392-Y461 VanDerWaalsContact CZ-OH 3.22Å; F392-Y461 WeakPolarHBondContact CZ-OH 3.49Å; E434-Y461 HydrophobicContact CB-CD2 3.76Å; E434-Y461 HydrophobicContact CB-CG 4.49Å; A435-Y461 HydrophobicContact CB-CD2 4.22Å; A435-Y461 HydrophobicContact CB-CE2 3.61Å; F438-Y461 HydrophobicContact CB-CD1 3.95Å; F438-Y461 HydrophobicContact CB-CG 4.13Å; F438-Y461 HydrophobicContact CD2-CD1 4Å; F438-Y461 AromaticContact CG-CD1 3.9Å; F438-Y461 HydrophobicContact CG-CD1 3.9Å; F438-Y461 HydrophobicContact CG-CG 4.49Å; H459-Y461 VanDerWaalsContact C-N 3.27Å; H459-Y461 VanDerWaalsContact ND1-CB 3.33Å; H459-Y461 WeakPolarHBondContact ND1-CB 3.36Å; H459-Y461 PolarHBondContact ND1-N 3.34Å; H459-Y461 VanDerWaalsContact ND1-N 3.15Å; H459-Y461 PolarHBondContact O-N 3.4Å
462L95.4Very high78.5Confident11 Ų1194 Ų946%0.05848%0.484CS..G310 helixtrans-86.3-19.3-177.3-56.6-171.5000112.9R290 I293 M294 V297 F438 L456 H459 E460R290-L462 PolarHBondContact NH2-O 2.94Å; I293-L462 HydrophobicContact CG2-CD2 4.3Å; M294-L462 WeakPolarHBondContact CE-O 3.25Å; M294-L462 HydrophobicContact CG-CB 4.12Å; M294-L462 HydrophobicContact CG-CD1 4.45Å; M294-L462 HydrophobicContact CG-CD2 3.69Å; M294-L462 HydrophobicContact CG-CG 4.29Å; V297-L462 HydrophobicContact CB-CD1 4.27Å; V297-L462 HydrophobicContact CG1-CD1 4.22Å; V297-L462 HydrophobicContact CG2-CD1 4.06Å; F438-L462 HydrophobicContact CD2-CD2 4.4Å; F438-L462 HydrophobicContact CD2-CG 4.3Å; F438-L462 HydrophobicContact CE2-CD1 3.76Å; F438-L462 HydrophobicContact CE2-CD2 4Å; F438-L462 HydrophobicContact CE2-CG 3.79Å; F438-L462 HydrophobicContact CZ-CD1 4.23Å; F438-L462 HydrophobicContact CZ-CD2 4.4Å; L456-L462 VanDerWaalsContact O-CD1 3.29Å; L456-L462 WeakPolarHBondContact O-CD1 3.31Å; H459-L462 PolarHBondContact O-N 2.89Å; E460-L462 PolarHBondContact O-N 3.37Å; E460-L462 VanDerWaalsContact O-N 3.13Å
463K90.2Very high75.6Confident90 Ų9095.6 Ų95.639%0.39151%0.51SS..SBendtrans-71.7145.2179.3-65.2-175.9-161.31510112R290 N458 E460 K465R290-K463 PolarHBondContact NH2-O 3.39Å; N458-K463 WeakPolarHBondContact O-CE 3.41Å; E460-K463 PolarHBondContact O-N 3.4Å; E460-K463 WeakPolarHBondContact OE2-CD 3.16Å; E460-K463 IonicContact OE2-NZ 2.72Å; E460-K463 PolarHBondContact OE2-NZ 2.94Å; K463-K465 PolarHBondContact O-N 2.75Å
464P82.4Confident72.8Confident114 Ų114100.8 Ų100.874%0.7455%0.547SS*.PPolyproline II helixtrans-49.6135.8174.5-23.832.6000110.2S466P464-S466 PolarHBondContact O-N 3.25Å
465K76.2Confident69.8Low172 Ų172104.6 Ų104.675%0.74857%0.571SS**PPolyproline II helixtrans-58.2120.4170.5-68-171.1177.8-1720106.3K463 H467K463-K465 PolarHBondContact O-N 2.75Å; K465-H467 PolarHBondContact O-N 3.23Å
466S66.8Low67.1Low98 Ų98105.3 Ų105.369%0.68559%0.585SS**PPolyproline II helixtrans-55.5116.2170.652.90000106.3P464 K468P464-S466 PolarHBondContact O-N 3.25Å; S466-K468 PolarHBondContact O-N 3.09Å
467H52.5Low64.2Low183 Ų183110.6 Ų110.685%0.84762%0.622SS**  trans-59.4100160.3-80.3-72.9000103.6K465 M469K465-H467 PolarHBondContact O-N 3.23Å; H467-M469 PolarHBondContact O-N 2.69Å
468K48.9Very low61.2Low187 Ų187110.1 Ų110.181%0.81364%0.639SS**  trans-53.3103.2162.6-79.9-172.5176.9-178.70104S466 Q470S466-K468 PolarHBondContact O-N 3.09Å; K468-Q470 PolarHBondContact O-N 3.17Å
469M43.5Very low58.4Low159 Ų159110.9 Ų110.978%0.78365%0.652SS**  trans-52110.4168.2-75.7172.564.500104.6H467 A471H467-M469 PolarHBondContact O-N 2.69Å; M469-A471 HydrophobicContact CB-CB 4.19Å; M469-A471 HydrophobicContact CE-CB 4.23Å; M469-A471 PolarHBondContact O-N 2.94Å
470Q40.7Very low55.4Low206 Ų206115.8 Ų115.896%0.96368%0.684SS**SBendtrans-66.574.1159.2-73.7179.9-0.400106K468K468-Q470 PolarHBondContact O-N 3.17Å
471A39.1Very low52.8Low70 Ų70115 Ų11558%0.57969%0.692SS**  trans-156.761.7177.200000107.9M469M469-A471 HydrophobicContact CB-CB 4.19Å; M469-A471 HydrophobicContact CE-CB 4.23Å; M469-A471 PolarHBondContact O-N 2.94Å
472A41.5Very low50Low100 Ų100123 Ų12383%0.82673%0.729SS**  trans-11884.414500000104.9S474A472-S474 PolarHBondContact O-N 2.98Å
473G35.1Very low47.5Very low75 Ų75130.8 Ų130.877%0.77377%0.769SS**  trans-54.9111.2165.400000107.6N475G473-N475 PolarHBondContact O-N 3.11Å
474S39.4Very low45.1Very low115 Ų115130.8 Ų130.880%0.80479%0.786SS**  trans-64.3100163.2500000107.4A472A472-S474 PolarHBondContact O-N 2.98Å
475N36.1Very low42.6Very low150 Ų150134 Ų13480%0.80279%0.791SS**  trans-56127.6162.7-98.3-14000108.5G473 S477G473-N475 PolarHBondContact O-N 3.11Å; N475-S477 PolarHBondContact O-N 2.68Å; N475-S477 VanDerWaalsContact O-N 3.17Å
476P39.8Very low40.6Very low126 Ų126135.8 Ų135.882%0.81882%0.816SS**  trans-81.893.1172.230.9-28.5000108.6A478P476-A478 PolarHBondContact O-N 3.14Å
477S38.5Very low39.3Very low112 Ų112137.7 Ų137.778%0.78382%0.823SS**  trans-85.2109.7162.354.60000109.1N475N475-S477 PolarHBondContact O-N 2.68Å; N475-S477 VanDerWaalsContact O-N 3.17Å
478A35.3Very low38.6Very low93 Ų93135.3 Ų135.377%0.76982%0.822SS**  trans-22.1128.916300000115.9P476P476-A478 PolarHBondContact O-N 3.14Å
479S37.1Very low38Very low118 Ų118132.4 Ų132.483%0.82582%0.822SS**  trans-128.597.714952.20000109.1
480T34.2Very low37.7Very low127 Ų127130.8 Ų130.878%0.77982%0.824SS**  trans-73.5121.9162.7-42.80000107.7
481S39.5Very low37.5Very low102 Ų102126.1 Ų126.171%0.71382%0.816SS**  trans-145.798.1158.849.50000111.1
482H38.9Very low37.4Very low176 Ų176129.9 Ų129.982%0.81583%0.832SS**  trans20.9108.4143.2-67.2-73.9000118.9
483I41.7Very low37.1Very low174 Ų174132 Ų13289%0.89283%0.832SS**  trans-92.2109.6145.3-65.3174.9000106.2
484A39Very low37.3Very low90 Ų90136.4 Ų136.474%0.74484%0.836SS**  trans-73.5147.917300000110.9
485Q31.4Very low37.1Very low180 Ų180138.2 Ų138.284%0.84184%0.839SS**  trans-69.9156.1-176.6-67.3164.6-31.200113.3
486T33.5Very low37.2Very low210 Ų210137.1 Ų137.1100%1.28884%0.843SS**  trans38014755.90000119.4

Retrieved 486 of 486 residues in 138.3 ms (Link to these results)

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