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Pyridoxal phosphate homeostasis protein

Pyridoxal 5'-phosphate (PLP)-binding protein, which may be involved in intracellular homeostatic regulation of pyridoxal 5'-phosphate (PLP), the active form of vitamin B6.

AlphaFold DB , UniProt , Accession A0A077ZH81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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
1M58.6Low92.3Very high158 Ų15859.6 Ų59.678%0.77831%0.308SS*.  0117.60-147.5179.1-65.300106.9E5 A6 K9M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CG-CB 4.05Å; M1-E5 HydrophobicContact CG-CG 3.81Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M1-E5 HydrophobicContact SD-CG 4.48Å; M1-A6 HydrophobicContact CG-CB 4.46Å; M1-A6 HydrophobicContact SD-CB 4.02Å; M1-K9 HydrophobicContact SD-CD 4.08Å
2N84.5Confident92.8Very high50 Ų5060.8 Ų60.827%0.26731%0.311SS..  trans-74.7164174.768.263.4000109.9I4 E5 A6 L47N2-I4 VanDerWaalsContact C-N 3.29Å; N2-I4 PolarHBondContact O-N 3.16Å; N2-I4 WeakPolarHBondContact OD1-CA 3.45Å; N2-I4 WeakPolarHBondContact OD1-CB 3.12Å; N2-I4 PolarHBondContact OD1-N 2.7Å; N2-E5 PolarHBondContact O-N 3.34Å; N2-E5 PolarHBondContact OD1-N 3.46Å; N2-A6 PolarHBondContact O-N 3.32Å; N2-A6 VanDerWaalsContact O-N 3.16Å; N2-L47 HydrophobicContact CB-CD1 4.49Å
3C92.8Very high93.2Very high93 Ų9365.4 Ų65.463%0.62833%0.327SS*.Hα-helixtrans-58.8-38.8-176.7-172.90000112.5A6 N7C3-A6 PolarHBondContact O-N 3.07Å; C3-N7 WeakPolarHBondContact O-CB 3.44Å; C3-N7 PolarHBondContact O-N 3.06Å; C3-N7 PolarHBondContact O-ND2 3.44Å
4I96.7Very high93.6Very high13 Ų1366.6 Ų66.67%0.06733%0.326CS..Hα-helixtrans-65.6-45.8-179.3-65.8169.9000111.1N2 A6 N7 L8 D44 L47 A48 I241 F242N2-I4 VanDerWaalsContact C-N 3.29Å; N2-I4 PolarHBondContact O-N 3.16Å; N2-I4 WeakPolarHBondContact OD1-CA 3.45Å; N2-I4 WeakPolarHBondContact OD1-CB 3.12Å; N2-I4 PolarHBondContact OD1-N 2.7Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 2.84Å; I4-N7 PolarHBondContact O-N 3.11Å; I4-L8 HydrophobicContact CG2-CD1 4.16Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 3.48Å; I4-D44 HydrophobicContact CD1-CB 3.6Å; I4-L47 HydrophobicContact CD1-CB 4.21Å; I4-L47 HydrophobicContact CD1-CD1 4.14Å; I4-A48 HydrophobicContact CG2-CB 3.78Å; I4-I241 HydrophobicContact CG2-CG2 4.13Å; I4-F242 HydrophobicContact CD1-CD1 4Å; I4-F242 HydrophobicContact CD1-CE1 4.42Å; I4-F242 HydrophobicContact CG1-CD1 4.25Å; I4-F242 HydrophobicContact CG2-CD1 4.34Å; I4-F242 HydrophobicContact CG2-CE1 4.19Å
5E96.9Very high93.9Very high47 Ų4762.3 Ų62.322%0.2231%0.305CS..Hα-helixtrans-60.3-44.6176.6-176.4-166.8166.400111.2M1 N2 N7 L8 K9 A51M1-E5 WeakPolarHBondContact CA-OE2 3.42Å; M1-E5 HydrophobicContact CG-CB 4.05Å; M1-E5 HydrophobicContact CG-CG 3.81Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M1-E5 HydrophobicContact SD-CG 4.48Å; N2-E5 PolarHBondContact O-N 3.34Å; N2-E5 PolarHBondContact OD1-N 3.46Å; E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.39Å; E5-L8 PolarHBondContact O-N 3.4Å; E5-K9 WeakPolarHBondContact O-CG 3.17Å; E5-K9 PolarHBondContact O-N 3.47Å; E5-K9 VanDerWaalsContact O-N 3.07Å; E5-K9 WeakPolarHBondContact OE1-CE 3.4Å; E5-K9 IonicContact OE1-NZ 2.7Å; E5-K9 PolarHBondContact OE1-NZ 2.97Å; E5-A51 HydrophobicContact CB-CB 4Å; E5-A51 HydrophobicContact CG-CB 3.77Å
6A97Very high94.1Very high28 Ų2862.5 Ų62.523%0.23131%0.308CS..Hα-helixtrans-63.3-40.6177.200000111.7M1 N2 C3 I4 K9 K10M1-A6 HydrophobicContact CG-CB 4.46Å; M1-A6 HydrophobicContact SD-CB 4.02Å; N2-A6 PolarHBondContact O-N 3.32Å; N2-A6 VanDerWaalsContact O-N 3.16Å; C3-A6 PolarHBondContact O-N 3.07Å; I4-A6 VanDerWaalsContact C-N 3.35Å; I4-A6 PolarHBondContact O-N 2.84Å; A6-K9 PolarHBondContact O-N 2.85Å; A6-K10 WeakPolarHBondContact O-CG 3.46Å; A6-K10 PolarHBondContact O-N 3.25Å; A6-K10 VanDerWaalsContact O-N 3.11Å
7N97.7Very high94.3Very high30 Ų3062.5 Ų62.516%0.1631%0.309CS..Hα-helixtrans-67.6-41.6177.4-69.3-17.6000112.1C3 I4 E5 K9 K10 I11 S240 I241C3-N7 WeakPolarHBondContact O-CB 3.44Å; C3-N7 PolarHBondContact O-N 3.06Å; C3-N7 PolarHBondContact O-ND2 3.44Å; I4-N7 PolarHBondContact O-N 3.11Å; E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.39Å; N7-K9 PolarHBondContact O-N 3.14Å; N7-K10 PolarHBondContact O-N 2.94Å; N7-I11 WeakPolarHBondContact O-CG1 3.13Å; N7-I11 PolarHBondContact O-N 3.29Å; N7-S240 WeakPolarHBondContact CB-O 3.5Å; N7-I241 WeakPolarHBondContact CB-O 3.38Å; N7-I241 PolarHBondContact ND2-O 3.47Å
8L98Very high94.4Very high1 Ų159.1 Ų59.11%0.00529%0.293CS..Hα-helixtrans-58-46.7174.2-79.8170.1000111.5I4 E5 K10 I11 Q12 L33 A48 A51 Q53 I241I4-L8 HydrophobicContact CG2-CD1 4.16Å; I4-L8 WeakPolarHBondContact O-CB 3.41Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 3.48Å; E5-L8 PolarHBondContact O-N 3.4Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.15Å; L8-I11 PolarHBondContact O-N 2.9Å; L8-Q12 WeakPolarHBondContact O-CB 3.48Å; L8-Q12 VanDerWaalsContact O-CG 3.26Å; L8-Q12 WeakPolarHBondContact O-CG 3.32Å; L8-Q12 PolarHBondContact O-N 2.98Å; L8-L33 HydrophobicContact CD2-CD2 4.03Å; L8-A48 HydrophobicContact CD1-CB 3.9Å; L8-A51 HydrophobicContact CD1-CB 3.77Å; L8-Q53 HydrophobicContact CD1-CB 4.14Å; L8-Q53 HydrophobicContact CD2-CB 4.44Å; L8-Q53 HydrophobicContact CD2-CG 4.47Å; L8-I241 HydrophobicContact CD2-CD1 3.79Å; L8-I241 HydrophobicContact CD2-CG1 4.08Å; L8-I241 HydrophobicContact CD2-CG2 3.86Å; L8-I241 HydrophobicContact CG-CG2 3.94Å
9K97.4Very high94.6Very high97 Ų9758.2 Ų58.242%0.42229%0.287SS..Hα-helixtrans-60.8-41.7177.1-72.1177.1-174167.90112.1M1 E5 A6 N7 K13M1-K9 HydrophobicContact SD-CD 4.08Å; E5-K9 WeakPolarHBondContact O-CG 3.17Å; E5-K9 PolarHBondContact O-N 3.47Å; E5-K9 VanDerWaalsContact O-N 3.07Å; E5-K9 WeakPolarHBondContact OE1-CE 3.4Å; E5-K9 IonicContact OE1-NZ 2.7Å; E5-K9 PolarHBondContact OE1-NZ 2.97Å; A6-K9 PolarHBondContact O-N 2.85Å; N7-K9 PolarHBondContact O-N 3.14Å; K9-K13 WeakPolarHBondContact O-CB 3.42Å; K9-K13 PolarHBondContact O-N 3.24Å
10K97.6Very high94.6Very high135 Ų13561.8 Ų61.859%0.58730%0.303SS*.Hα-helixtrans-61.8-44.1175-72.1172.6-176.3175.50111.9A6 N7 L8 K13 R14A6-K10 WeakPolarHBondContact O-CG 3.46Å; A6-K10 PolarHBondContact O-N 3.25Å; A6-K10 VanDerWaalsContact O-N 3.11Å; N7-K10 PolarHBondContact O-N 2.94Å; L8-K10 VanDerWaalsContact C-N 3.34Å; L8-K10 PolarHBondContact O-N 3.15Å; K10-K13 PolarHBondContact O-N 3.26Å; K10-R14 WeakPolarHBondContact O-CG 3.45Å; K10-R14 PolarHBondContact O-N 3.44Å
11I98.1Very high94.6Very high4 Ų463.3 Ų63.32%0.02132%0.316CS..Hα-helixtrans-67.9-43.9179.1-68.8-62.5000111.5N7 L8 K13 R14 I15 L33 F224 I237 I241N7-I11 WeakPolarHBondContact O-CG1 3.13Å; N7-I11 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 2.9Å; I11-K13 VanDerWaalsContact C-N 3.29Å; I11-K13 PolarHBondContact O-N 2.77Å; I11-R14 PolarHBondContact O-N 3.17Å; I11-R14 VanDerWaalsContact O-N 3.14Å; I11-I15 HydrophobicContact CG2-CD1 3.87Å; I11-I15 HydrophobicContact CG2-CG1 4.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 2.92Å; I11-L33 HydrophobicContact CG2-CD1 4.11Å; I11-L33 HydrophobicContact CG2-CD2 3.89Å; I11-F224 HydrophobicContact CD1-CE1 4.07Å; I11-F224 HydrophobicContact CD1-CZ 3.9Å; I11-I237 HydrophobicContact CD1-CG2 4.3Å; I11-I237 HydrophobicContact CG2-CD1 3.51Å; I11-I241 HydrophobicContact CG1-CG1 4.26Å
12Q98.2Very high96.3Very high73 Ų7356 Ų5634%0.34128%0.28SS..Hα-helixtrans-59.6-41.8175.7-72.7165.512.200111.3L8 I15 N16 L33L8-Q12 WeakPolarHBondContact O-CB 3.48Å; L8-Q12 VanDerWaalsContact O-CG 3.26Å; L8-Q12 WeakPolarHBondContact O-CG 3.32Å; L8-Q12 PolarHBondContact O-N 2.98Å; Q12-I15 PolarHBondContact O-N 3.27Å; Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 2.93Å; Q12-L33 HydrophobicContact CG-CD2 4.4Å
13K98.1Very high96.6Very high121 Ų12158.3 Ų58.353%0.52629%0.293SS..Hα-helixtrans-59.3-47.7172.6175.2162.9173410112K9 K10 I11 I15 N16 D17K9-K13 WeakPolarHBondContact O-CB 3.42Å; K9-K13 PolarHBondContact O-N 3.24Å; K10-K13 PolarHBondContact O-N 3.26Å; I11-K13 VanDerWaalsContact C-N 3.29Å; I11-K13 PolarHBondContact O-N 2.77Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 PolarHBondContact O-N 3.5Å; K13-N16 WeakPolarHBondContact O-CB 3.5Å; K13-N16 PolarHBondContact O-N 3.2Å; K13-D17 WeakPolarHBondContact CG-OD2 3.48Å; K13-D17 IonicContact NZ-OD1 2.81Å; K13-D17 PolarHBondContact NZ-OD1 3.33Å; K13-D17 IonicContact NZ-OD2 2.75Å; K13-D17 PolarHBondContact NZ-OD2 3.27Å; K13-D17 PolarHBondContact O-N 3.16Å
14R98.2Very high96.5Very high82 Ų8260.7 Ų60.731%0.30930%0.299SS..Hα-helixtrans-62.2-37.5177.7-74.2173.465.7-1632.2113K10 I11 A18 F224 E225K10-R14 WeakPolarHBondContact O-CG 3.45Å; K10-R14 PolarHBondContact O-N 3.44Å; I11-R14 PolarHBondContact O-N 3.17Å; I11-R14 VanDerWaalsContact O-N 3.14Å; R14-A18 VanDerWaalsContact O-CB 3.25Å; R14-A18 WeakPolarHBondContact O-CB 3.48Å; R14-A18 PolarHBondContact O-N 3.22Å; R14-F224 HydrophobicContact CB-CE2 3.99Å; R14-F224 HydrophobicContact CB-CZ 3.85Å; R14-F224 VanDerWaalsContact CZ-CE1 3.46Å; R14-F224 VanDerWaalsContact NH2-CE1 3.32Å; R14-E225 WeakPolarHBondContact CB-OE1 3.31Å; R14-E225 WeakPolarHBondContact CG-OE1 3.21Å; R14-E225 IonicContact CZ-OE1 3.48Å; R14-E225 IonicContact CZ-OE2 3.17Å; R14-E225 IonicContact NE-OE1 2.67Å; R14-E225 PolarHBondContact NE-OE1 3.15Å; R14-E225 IonicContact NE-OE2 3.46Å; R14-E225 PolarHBondContact NE-OE2 3.41Å; R14-E225 VanDerWaalsContact NH2-CD 3.34Å; R14-E225 IonicContact NH2-OE1 3.51Å; R14-E225 IonicContact NH2-OE2 3.06Å; R14-E225 PolarHBondContact NH2-OE2 3.21Å
15I98.3Very high96.2Very high3 Ų365.4 Ų65.42%0.01533%0.333CS..Hα-helixtrans-62.4-46.5173.2-70.4170.6000110.4I11 Q12 K13 A18 F19 F30 P31 L33 F224 I228 V235 I237I11-I15 HydrophobicContact CG2-CD1 3.87Å; I11-I15 HydrophobicContact CG2-CG1 4.37Å; I11-I15 WeakPolarHBondContact O-CG1 3.43Å; I11-I15 PolarHBondContact O-N 2.92Å; Q12-I15 PolarHBondContact O-N 3.27Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 PolarHBondContact O-N 3.5Å; I15-A18 PolarHBondContact O-N 3.31Å; I15-F19 VanDerWaalsContact O-CB 3.28Å; I15-F19 WeakPolarHBondContact O-CB 3.31Å; I15-F19 PolarHBondContact O-N 2.8Å; I15-F30 HydrophobicContact CG2-CE1 4.27Å; I15-F30 HydrophobicContact CG2-CE2 4.41Å; I15-F30 HydrophobicContact CG2-CZ 3.79Å; I15-P31 HydrophobicContact CG2-CB 4.04Å; I15-P31 HydrophobicContact CG2-CG 4.17Å; I15-L33 HydrophobicContact CD1-CB 3.92Å; I15-L33 HydrophobicContact CD1-CD1 4.06Å; I15-L33 HydrophobicContact CD1-CD2 4.26Å; I15-L33 HydrophobicContact CD1-CG 4.31Å; I15-F224 HydrophobicContact CG1-CD2 4.06Å; I15-F224 HydrophobicContact CG1-CE2 3.82Å; I15-I228 HydrophobicContact CB-CD1 4.14Å; I15-I228 HydrophobicContact CG1-CD1 3.9Å; I15-I228 HydrophobicContact CG2-CD1 3.99Å; I15-V235 HydrophobicContact CD1-CG2 3.83Å; I15-V235 HydrophobicContact CG1-CG2 4.32Å; I15-I237 HydrophobicContact CD1-CD1 4.44Å
16N98.1Very high95.8Very high65 Ų6566.2 Ų66.235%0.34833%0.334SS..Hα-helixtrans-59.9-51.4176.4-69.7-15.8000111.1Q12 K13 A18 F19 E20 F30Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 2.93Å; K13-N16 WeakPolarHBondContact O-CB 3.5Å; K13-N16 PolarHBondContact O-N 3.2Å; N16-A18 VanDerWaalsContact C-N 3.33Å; N16-A18 PolarHBondContact O-N 2.88Å; N16-F19 PolarHBondContact O-N 3.33Å; N16-F19 VanDerWaalsContact O-N 3.14Å; N16-E20 WeakPolarHBondContact O-CB 3.47Å; N16-E20 WeakPolarHBondContact O-CG 3.41Å; N16-E20 PolarHBondContact O-N 3.07Å; N16-F30 WeakPolarHBondContact OD1-CE2 3.11Å; N16-F30 WeakPolarHBondContact OD1-CZ 3.28Å
17D97.9Very high95.4Very high62 Ų6268.9 Ų68.933%0.33234%0.338SS..Hα-helixtrans-60.9-42.2-178.5-61.9-16.2000111.2K13 T21K13-D17 WeakPolarHBondContact CG-OD2 3.48Å; K13-D17 IonicContact NZ-OD1 2.81Å; K13-D17 PolarHBondContact NZ-OD1 3.33Å; K13-D17 IonicContact NZ-OD2 2.75Å; K13-D17 PolarHBondContact NZ-OD2 3.27Å; K13-D17 PolarHBondContact O-N 3.16Å; D17-T21 WeakPolarHBondContact O-CG2 3.26Å; D17-T21 PolarHBondContact O-N 2.75Å; D17-T21 PolarHBondContact O-OG1 3.45Å
18A96.1Very high94.9Very high2 Ų268.9 Ų68.92%0.01734%0.34CS..Hα-helixtrans-64.5-43.4175.100000111.7R14 I15 N16 T21 T22 E225 I228R14-A18 VanDerWaalsContact O-CB 3.25Å; R14-A18 WeakPolarHBondContact O-CB 3.48Å; R14-A18 PolarHBondContact O-N 3.22Å; I15-A18 PolarHBondContact O-N 3.31Å; N16-A18 VanDerWaalsContact C-N 3.33Å; N16-A18 PolarHBondContact O-N 2.88Å; A18-T21 PolarHBondContact O-N 2.81Å; A18-T21 PolarHBondContact O-OG1 3.22Å; A18-T22 PolarHBondContact O-N 2.86Å; A18-T22 VanDerWaalsContact O-N 3.1Å; A18-T22 PolarHBondContact O-OG1 2.95Å; A18-E225 HydrophobicContact CB-CB 4.1Å; A18-E225 HydrophobicContact CB-CG 4.16Å; A18-I228 HydrophobicContact CB-CB 4.04Å; A18-I228 HydrophobicContact CB-CD1 4.22Å; A18-I228 HydrophobicContact CB-CG2 3.85Å
19F96.9Very high94.7Very high42 Ų4274.1 Ų74.118%0.18436%0.36CS..Hα-helixtrans-66.6-39.2178.7-178-105.2000112.5I15 N16 T21 T22 R27 R29 F30 P31 I228I15-F19 VanDerWaalsContact O-CB 3.28Å; I15-F19 WeakPolarHBondContact O-CB 3.31Å; I15-F19 PolarHBondContact O-N 2.8Å; N16-F19 PolarHBondContact O-N 3.33Å; N16-F19 VanDerWaalsContact O-N 3.14Å; F19-T21 PolarHBondContact O-N 3.04Å; F19-T22 WeakPolarHBondContact O-CB 3.41Å; F19-T22 PolarHBondContact O-N 2.92Å; F19-R27 HydrophobicContact CD2-CG 4.47Å; F19-R27 HydrophobicContact CE2-CB 4.08Å; F19-R27 HydrophobicContact CE2-CG 3.97Å; F19-R27 HydrophobicContact CZ-CB 4.21Å; F19-R27 HydrophobicContact CZ-CG 4.23Å; F19-R27 PolarHBondContact O-NE 3.34Å; F19-R27 VanDerWaalsContact O-NE 3.09Å; F19-R27 PolarHBondContact O-NH2 3.41Å; F19-R29 WeakPolarHBondContact CE2-O 3.48Å; F19-F30 HydrophobicContact CB-CE2 4.44Å; F19-F30 AromaticContact CD1-CD2 3.72Å; F19-F30 HydrophobicContact CD1-CD2 3.72Å; F19-F30 HydrophobicContact CD1-CE2 4.17Å; F19-F30 AromaticContact CE1-CD2 3.95Å; F19-F30 HydrophobicContact CE1-CD2 3.95Å; F19-F30 HydrophobicContact CG-CD2 4.03Å; F19-F30 HydrophobicContact CG-CE2 4.36Å; F19-F30 HydrophobicContact CZ-CB 4.48Å; F19-F30 HydrophobicContact CZ-CD2 4.46Å; F19-P31 HydrophobicContact CD2-CG 4.19Å; F19-I228 HydrophobicContact CB-CG2 4.01Å
20E96.1Very high94.7Very high129 Ų12974.3 Ų74.360%0.60336%0.361SS*.Hα-helixtrans-68.6-19.8177.1-75.7179.9-175.800113.3N16 R27N16-E20 WeakPolarHBondContact O-CB 3.47Å; N16-E20 WeakPolarHBondContact O-CG 3.41Å; N16-E20 PolarHBondContact O-N 3.07Å; E20-R27 PolarHBondContact O-NH2 3.47Å
21T93.4Very high94.7Very high95 Ų9568 Ų6858%0.58333%0.334SS*.Hα-helixtrans-100-8.4175.853.60000113.5D17 A18 F19D17-T21 WeakPolarHBondContact O-CG2 3.26Å; D17-T21 PolarHBondContact O-N 2.75Å; D17-T21 PolarHBondContact O-OG1 3.45Å; A18-T21 PolarHBondContact O-N 2.81Å; A18-T21 PolarHBondContact O-OG1 3.22Å; F19-T21 PolarHBondContact O-N 3.04Å
22T93.5Very high94.7Very high4 Ų469.3 Ų69.33%0.02534%0.338CS..SBendtrans-65.3140.9174.6-59.30000111.6A18 F19 L24 R26 R27 I228 R229A18-T22 PolarHBondContact O-N 2.86Å; A18-T22 VanDerWaalsContact O-N 3.1Å; A18-T22 PolarHBondContact O-OG1 2.95Å; F19-T22 WeakPolarHBondContact O-CB 3.41Å; F19-T22 PolarHBondContact O-N 2.92Å; T22-L24 PolarHBondContact O-N 3.42Å; T22-R26 HydrophobicContact CG2-CB 3.71Å; T22-R27 HydrophobicContact CG2-CG 3.9Å; T22-R27 PolarHBondContact O-NE 2.92Å; T22-R27 PolarHBondContact O-NH2 3.17Å; T22-I228 PolarHBondContact OG1-O 3.24Å; T22-I228 VanDerWaalsContact OG1-O 3.12Å; T22-R229 WeakPolarHBondContact OG1-CA 3.41Å
23D92Very high94.7Very high99 Ų9966.6 Ų66.653%0.52933%0.326SS..  trans-56.7138.3171.6-69.6-46.8000112.1S25 R26 R27D23-S25 PolarHBondContact O-N 2.99Å; D23-S25 VanDerWaalsContact O-N 3.12Å; D23-R26 HydrophobicContact CB-CG 4.49Å; D23-R26 PolarHBondContact O-N 3.27Å; D23-R27 PolarHBondContact O-N 2.98Å
24L91.3Very high94.8Very high143 Ų14360.9 Ų60.975%0.74930%0.301SS*.G310 helixtrans-55.6-34.3-178.3-70.6177.1000112.8T22 R26 R27T22-L24 PolarHBondContact O-N 3.42Å; L24-R26 PolarHBondContact O-N 3.46Å; L24-R27 PolarHBondContact O-N 2.82Å
25S89.2Confident94.8Very high112 Ų11257 Ų5778%0.78329%0.286SS*.G310 helixtrans-64.1-21.3176.959.60000113.7D23D23-S25 PolarHBondContact O-N 2.99Å; D23-S25 VanDerWaalsContact O-N 3.12Å
26R88.3Confident94.8Very high63 Ų6357.5 Ų57.524%0.23829%0.29CS..G310 helixtrans-99.4-13.7178.8-62.5178.9-178.9-167-5.1112.8T22 D23 L24 S28 E189 R229T22-R26 HydrophobicContact CG2-CB 3.71Å; D23-R26 HydrophobicContact CB-CG 4.49Å; D23-R26 PolarHBondContact O-N 3.27Å; L24-R26 PolarHBondContact O-N 3.46Å; R26-S28 PolarHBondContact O-N 3.46Å; R26-E189 IonicContact CZ-OE1 2.7Å; R26-E189 IonicContact NH1-OE1 3.24Å; R26-E189 PolarHBondContact NH1-OE1 3.29Å; R26-E189 IonicContact NH2-OE1 3.4Å; R26-E189 PolarHBondContact NH2-OE1 2.82Å; R26-R229 VanDerWaalsContact CD-O 3.27Å; R26-R229 WeakPolarHBondContact CD-O 3.45Å
27R89.4Confident94.8Very high84 Ų8454.4 Ų54.432%0.31727%0.273SS..  trans-76.982.5178.8-65.2-170-157-172.21.2111.4F19 E20 T22 D23 L24F19-R27 HydrophobicContact CD2-CG 4.47Å; F19-R27 HydrophobicContact CE2-CB 4.08Å; F19-R27 HydrophobicContact CE2-CG 3.97Å; F19-R27 HydrophobicContact CZ-CB 4.21Å; F19-R27 HydrophobicContact CZ-CG 4.23Å; F19-R27 PolarHBondContact O-NE 3.34Å; F19-R27 VanDerWaalsContact O-NE 3.09Å; F19-R27 PolarHBondContact O-NH2 3.41Å; E20-R27 PolarHBondContact O-NH2 3.47Å; T22-R27 HydrophobicContact CG2-CG 3.9Å; T22-R27 PolarHBondContact O-NE 2.92Å; T22-R27 PolarHBondContact O-NH2 3.17Å; D23-R27 PolarHBondContact O-N 2.98Å; L24-R27 PolarHBondContact O-N 2.82Å
28S87.9Confident94.7Very high30 Ų3055.2 Ų55.221%0.2127%0.274CS..SBendtrans-85.2-40.4176.355.20000113.3R26 R200 T233R26-S28 PolarHBondContact O-N 3.46Å; S28-R200 PolarHBondContact OG-NH1 3.47Å; S28-T233 WeakPolarHBondContact OG-CG2 3.37Å
29R93.6Very high94.6Very high112 Ų11259.2 Ų59.242%0.42329%0.291SS..SBendtrans-155.6149.1179.5178.9179.6-81.6-155.53.7110.1F19 E215 T233F19-R29 WeakPolarHBondContact CE2-O 3.48Å; R29-E215 IonicContact CZ-OE1 3.07Å; R29-E215 IonicContact NH1-OE1 2.72Å; R29-E215 PolarHBondContact NH1-OE1 3.29Å; R29-T233 HydrophobicContact CB-CG2 3.89Å
30F96.5Very high94.6Very high101 Ų10158.2 Ų58.244%0.44329%0.286SS..PPolyproline II helixtrans-61.9128.9170.7-175.2-92.9000110.9I15 N16 F19 R32I15-F30 HydrophobicContact CG2-CE1 4.27Å; I15-F30 HydrophobicContact CG2-CE2 4.41Å; I15-F30 HydrophobicContact CG2-CZ 3.79Å; N16-F30 WeakPolarHBondContact OD1-CE2 3.11Å; N16-F30 WeakPolarHBondContact OD1-CZ 3.28Å; F19-F30 HydrophobicContact CB-CE2 4.44Å; F19-F30 AromaticContact CD1-CD2 3.72Å; F19-F30 HydrophobicContact CD1-CD2 3.72Å; F19-F30 HydrophobicContact CD1-CE2 4.17Å; F19-F30 AromaticContact CE1-CD2 3.95Å; F19-F30 HydrophobicContact CE1-CD2 3.95Å; F19-F30 HydrophobicContact CG-CD2 4.03Å; F19-F30 HydrophobicContact CG-CE2 4.36Å; F19-F30 HydrophobicContact CZ-CB 4.48Å; F19-F30 HydrophobicContact CZ-CD2 4.46Å; F30-R32 PolarHBondContact O-N 2.99Å
31P97.9Very high94.6Very high2 Ų254.8 Ų54.81%0.01328%0.275CS..PPolyproline II helixtrans-63.1127.4-173.2-21.231.1000113.4I15 F19 I228 T233I15-P31 HydrophobicContact CG2-CB 4.04Å; I15-P31 HydrophobicContact CG2-CG 4.17Å; F19-P31 HydrophobicContact CD2-CG 4.19Å; P31-I228 HydrophobicContact CB-CD1 4.2Å; P31-I228 HydrophobicContact CB-CG1 4.06Å; P31-I228 HydrophobicContact CG-CB 4.35Å; P31-I228 HydrophobicContact CG-CD1 4Å; P31-I228 HydrophobicContact CG-CG1 3.69Å; P31-I228 HydrophobicContact CG-CG2 3.82Å; P31-T233 CarbonylContact C-O 3.57Å; P31-T233 WeakPolarHBondContact CA-O 3.18Å
32R98.5Very high94.8Very high32 Ų3251.5 Ų51.512%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-74.1124168.1-177.3-170.4-64.7132.26.1109.3F30 V34 H55 E215 T233 N234 V235F30-R32 PolarHBondContact O-N 2.99Å; R32-V34 HydrophobicContact CG-CG2 4.49Å; R32-V34 PolarHBondContact O-N 3.38Å; R32-H55 WeakPolarHBondContact CD-ND1 3.42Å; R32-H55 HydrophobicContact CG-CB 4.31Å; R32-H55 PolarHBondContact NE-CE1 3.34Å; R32-E215 IonicContact CZ-OE2 3.5Å; R32-E215 IonicContact NH1-OE2 3.79Å; R32-E215 PolarHBondContact NH1-OE2 3.48Å; R32-E215 IonicContact NH2-OE1 2.72Å; R32-E215 PolarHBondContact NH2-OE1 3Å; R32-E215 IonicContact NH2-OE2 3.46Å; R32-E215 PolarHBondContact NH2-OE2 3.37Å; R32-T233 PolarHBondContact N-O 3.49Å; R32-N234 VanDerWaalsContact CD-OD1 3.25Å; R32-N234 WeakPolarHBondContact CD-OD1 3.4Å; R32-N234 PolarHBondContact NH1-OD1 3.06Å; R32-N234 WeakPolarHBondContact O-CA 3.46Å; R32-V235 PolarHBondContact O-N 3.05Å
33L98.7Very high94.9Very high16 Ų1654.2 Ų54.28%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-80.2114.9168.6175.955000110.2L8 I11 Q12 I15 Q53 V235 I237 I241L8-L33 HydrophobicContact CD2-CD2 4.03Å; I11-L33 HydrophobicContact CG2-CD1 4.11Å; I11-L33 HydrophobicContact CG2-CD2 3.89Å; Q12-L33 HydrophobicContact CG-CD2 4.4Å; I15-L33 HydrophobicContact CD1-CB 3.92Å; I15-L33 HydrophobicContact CD1-CD1 4.06Å; I15-L33 HydrophobicContact CD1-CD2 4.26Å; I15-L33 HydrophobicContact CD1-CG 4.31Å; L33-Q53 PolarHBondContact O-NE2 3.16Å; L33-V235 HydrophobicContact CD1-CG2 4.25Å; L33-I237 HydrophobicContact CD1-CB 3.9Å; L33-I237 HydrophobicContact CD1-CD1 3.73Å; L33-I237 HydrophobicContact CD1-CG1 3.93Å; L33-I241 HydrophobicContact CD1-CD1 4.23Å; L33-I241 HydrophobicContact CD2-CD1 4.27Å
34V98.8Very high95.1Very high0 Ų051.2 Ų51.20%026%0.258CS..EExtended strand (participates in β ladder)trans-97108.1167.9-177.70000108.2R32 V36 H55 H83 V235 R236 I237R32-V34 HydrophobicContact CG-CG2 4.49Å; R32-V34 PolarHBondContact O-N 3.38Å; V34-V36 PolarHBondContact O-N 2.9Å; V34-H55 HydrophobicContact CG2-CB 4.42Å; V34-H83 HydrophobicContact CG1-CB 4.17Å; V34-V235 PolarHBondContact N-O 2.71Å; V34-R236 HydrophobicContact CB-CG 4.23Å; V34-R236 WeakPolarHBondContact O-CA 3.3Å; V34-I237 PolarHBondContact O-N 3.15Å
35A98.6Very high95.5Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-76.8108.4178.400000109.8S37 Q53 H55 F56 G57 I237 I241 F242A35-S37 PolarHBondContact O-N 3.42Å; A35-Q53 HydrophobicContact CB-CG 3.72Å; A35-H55 PolarHBondContact N-O 2.81Å; A35-F56 HydrophobicContact CB-CD1 4Å; A35-F56 HydrophobicContact CB-CE1 4.17Å; A35-F56 CarbonylContact O-C 3.46Å; A35-F56 VanDerWaalsContact O-CA 3.28Å; A35-F56 WeakPolarHBondContact O-CA 3.3Å; A35-G57 PolarHBondContact O-N 2.91Å; A35-I237 CarbonylContact C-O 3.58Å; A35-I237 WeakPolarHBondContact CA-O 3.43Å; A35-I241 HydrophobicContact CB-CD1 3.9Å; A35-F242 HydrophobicContact CB-CE2 4.05Å; A35-F242 HydrophobicContact CB-CZ 4.16Å
36V98.3Very high95.9Very high14 Ų1439.3 Ų39.39%0.08519%0.187CC..EExtended strand (participates in β ladder)trans-81.1101.2-177.4-178.60000109.4V34 K38 G57 I85 R236 I237 G238 F242V34-V36 PolarHBondContact O-N 2.9Å; V36-K38 HydrophobicContact CG1-CB 4.3Å; V36-K38 HydrophobicContact CG1-CD 4.07Å; V36-K38 HydrophobicContact CG1-CG 3.98Å; V36-G57 WeakPolarHBondContact CA-O 3.36Å; V36-I85 HydrophobicContact CB-CD1 4.45Å; V36-I85 HydrophobicContact CG1-CD1 4.02Å; V36-I85 HydrophobicContact CG2-CD1 3.64Å; V36-R236 HydrophobicContact CG2-CB 3.82Å; V36-I237 PolarHBondContact N-O 3.5Å; V36-G238 WeakPolarHBondContact O-CA 3.36Å; V36-F242 WeakPolarHBondContact O-CD2 3.31Å
37S97.6Very high96.3Very high0 Ų039 Ų390%019%0.19CC..  trans-9713-175.5450000113.4A35 F39 K40 G57 E58 K67A35-S37 PolarHBondContact O-N 3.42Å; S37-F39 PolarHBondContact O-N 3.03Å; S37-K40 VanDerWaalsContact O-CB 3.23Å; S37-K40 WeakPolarHBondContact O-CB 3.43Å; S37-K40 PolarHBondContact O-N 3.1Å; S37-G57 PolarHBondContact N-O 3.38Å; S37-G57 VanDerWaalsContact N-O 3.14Å; S37-E58 WeakPolarHBondContact CB-OE1 3.38Å; S37-E58 PolarHBondContact OG-OE1 2.66Å; S37-K67 PolarHBondContact O-NZ 2.75Å
38K95.8Very high96.7Very high80 Ų8035 Ų3535%0.34818%0.175SC..THydrogen-bonded Turntrans-49.2135.4173.977.8-175.8-178.4178.20110V36 K40 E58 N59V36-K38 HydrophobicContact CG1-CB 4.3Å; V36-K38 HydrophobicContact CG1-CD 4.07Å; V36-K38 HydrophobicContact CG1-CG 3.98Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.74Å; K38-E58 WeakPolarHBondContact CA-OE2 3.39Å; K38-N59 HydrophobicContact CB-CB 4.48Å; K38-N59 HydrophobicContact CD-CB 4.23Å; K38-N59 WeakPolarHBondContact CD-ND2 3.42Å
39F95.2Very high97.2Very high86 Ų8634.8 Ų34.838%0.37717%0.17SC..THydrogen-bonded Turntrans53.544.4-173.7-46.8-53.5000112.5S37 Y60 E63 R245S37-F39 PolarHBondContact O-N 3.03Å; F39-Y60 HydrophobicContact CD1-CE2 4.49Å; F39-Y60 HydrophobicContact CE1-CD2 4.12Å; F39-Y60 AromaticContact CE1-CE2 3.59Å; F39-Y60 HydrophobicContact CE1-CE2 3.59Å; F39-Y60 AromaticContact CE2-CE2 3.93Å; F39-Y60 HydrophobicContact CE2-CE2 3.93Å; F39-Y60 HydrophobicContact CZ-CD2 4.23Å; F39-Y60 AromaticContact CZ-CE2 3.27Å; F39-Y60 HydrophobicContact CZ-CE2 3.27Å; F39-Y60 AromaticContact CZ-CZ 3.71Å; F39-E63 VanDerWaalsContact CA-OE1 3.32Å; F39-E63 WeakPolarHBondContact CA-OE1 3.26Å; F39-E63 PolarHBondContact N-OE1 2.7Å; F39-E63 PolarHBondContact N-OE2 3.34Å; F39-R245 VanDerWaalsContact CB-NH1 3.33Å; F39-R245 WeakPolarHBondContact O-CD 3.43Å; F39-R245 WeakPolarHBondContact O-CG 3.37Å; F39-R245 PolarHBondContact O-NE 3.25Å; F39-R245 PolarHBondContact O-NH2 3.13Å
40K96.1Very high97.4Very high20 Ų2036 Ų369%0.08718%0.18CC..  trans-128141.2170.5-60.7-66.8170.2167.20110.4S37 K38 D44 K67 F242 G243S37-K40 VanDerWaalsContact O-CB 3.23Å; S37-K40 WeakPolarHBondContact O-CB 3.43Å; S37-K40 PolarHBondContact O-N 3.1Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.74Å; K40-D44 HydrophobicContact CB-CB 4.25Å; K40-K67 WeakPolarHBondContact O-CE 3.48Å; K40-K67 PolarHBondContact O-NZ 2.73Å; K40-F242 HydrophobicContact CD-CB 3.64Å; K40-F242 HydrophobicContact CD-CG 4.25Å; K40-F242 VanDerWaalsContact CE-CB 3.4Å; K40-F242 HydrophobicContact CG-CB 3.88Å; K40-F242 HydrophobicContact CG-CD1 4.37Å; K40-F242 HydrophobicContact CG-CD2 4.31Å; K40-F242 HydrophobicContact CG-CG 3.96Å; K40-F242 PolarHBondContact NZ-O 3.4Å; K40-G243 PolarHBondContact NZ-O 3Å
41P95.9Very high97.5Very high57 Ų5732.6 Ų32.637%0.3717%0.171SC..  trans-65.4160.1177.430.8-36.3000110.8S43 D44P41-S43 WeakPolarHBondContact CG-OG 3.17Å; P41-S43 PolarHBondContact O-N 3.08Å; P41-D44 WeakPolarHBondContact CD-OD2 3.23Å; P41-D44 HydrophobicContact CG-CB 4.2Å; P41-D44 PolarHBondContact O-N 3.27Å; P41-D44 VanDerWaalsContact O-N 3.15Å
42V97.2Very high97.5Very high26 Ų2634.8 Ų34.816%0.15819%0.193CC..Hα-helixtrans-56.3-37.7176.6165.40000111.7D44 I45 C46 D70 Q72 L73V42-D44 VanDerWaalsContact C-N 3.29Å; V42-D44 PolarHBondContact O-N 3.04Å; V42-I45 WeakPolarHBondContact O-CB 3.19Å; V42-I45 PolarHBondContact O-N 2.87Å; V42-C46 PolarHBondContact O-N 3.17Å; V42-C46 PolarHBondContact O-SG 3.41Å; V42-C46 VanDerWaalsContact O-SG 3.41Å; V42-D70 HydrophobicContact CG2-CB 4.16Å; V42-Q72 HydrophobicContact CG1-CB 4.27Å; V42-L73 HydrophobicContact CB-CD1 4.46Å; V42-L73 HydrophobicContact CG1-CD1 4.08Å; V42-L73 HydrophobicContact CG1-CD2 4.03Å; V42-L73 HydrophobicContact CG1-CG 3.68Å; V42-L73 HydrophobicContact CG2-CD1 3.91Å; V42-L73 HydrophobicContact CG2-CG 4.41Å
43S96.2Very high97.5Very high62 Ų6233.8 Ų33.843%0.43419%0.19SC..Hα-helixtrans-53.8-42.9176.655.80000113.1P41 I45 C46 L47P41-S43 WeakPolarHBondContact CG-OG 3.17Å; P41-S43 PolarHBondContact O-N 3.08Å; S43-I45 VanDerWaalsContact C-N 3.3Å; S43-I45 PolarHBondContact O-N 3.49Å; S43-C46 PolarHBondContact O-N 2.95Å; S43-L47 WeakPolarHBondContact O-CG 3.32Å; S43-L47 PolarHBondContact O-N 3.33Å
44D97Very high97.4Very high35 Ų3536 Ų3619%0.18720%0.197CC..Hα-helixtrans-66.9-36.3-179.7-72.87.7000111.3I4 K40 P41 V42 L47 A48 F242I4-D44 HydrophobicContact CD1-CB 3.6Å; K40-D44 HydrophobicContact CB-CB 4.25Å; P41-D44 WeakPolarHBondContact CD-OD2 3.23Å; P41-D44 HydrophobicContact CG-CB 4.2Å; P41-D44 PolarHBondContact O-N 3.27Å; P41-D44 VanDerWaalsContact O-N 3.15Å; V42-D44 VanDerWaalsContact C-N 3.29Å; V42-D44 PolarHBondContact O-N 3.04Å; D44-L47 PolarHBondContact O-N 2.85Å; D44-A48 WeakPolarHBondContact O-CB 3.44Å; D44-A48 PolarHBondContact O-N 3.14Å; D44-F242 HydrophobicContact CB-CD1 4Å; D44-F242 HydrophobicContact CB-CE1 4.21Å
45I98.2Very high97.4Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-68-45177.3-59.4176.3000109.6V42 S43 L47 A48 Y49 F56 K67 L73 I80 W82V42-I45 WeakPolarHBondContact O-CB 3.19Å; V42-I45 PolarHBondContact O-N 2.87Å; S43-I45 VanDerWaalsContact C-N 3.3Å; S43-I45 PolarHBondContact O-N 3.49Å; I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 PolarHBondContact O-N 2.91Å; I45-A48 PolarHBondContact O-N 3.4Å; I45-Y49 VanDerWaalsContact O-CB 3.3Å; I45-Y49 WeakPolarHBondContact O-CB 3.19Å; I45-Y49 PolarHBondContact O-N 2.77Å; I45-F56 HydrophobicContact CB-CE1 4.41Å; I45-F56 HydrophobicContact CG2-CD1 4.04Å; I45-F56 HydrophobicContact CG2-CE1 3.78Å; I45-F56 HydrophobicContact CG2-CZ 4.04Å; I45-K67 HydrophobicContact CD1-CD 3.63Å; I45-K67 HydrophobicContact CD1-CG 4.22Å; I45-L73 HydrophobicContact CB-CD2 4.09Å; I45-L73 HydrophobicContact CD1-CD1 4.47Å; I45-L73 HydrophobicContact CG2-CD1 4.47Å; I45-L73 HydrophobicContact CG2-CD2 3.64Å; I45-I80 HydrophobicContact CG2-CD1 3.85Å; I45-W82 HydrophobicContact CD1-CH2 4.07Å; I45-W82 HydrophobicContact CG2-CH2 4.16Å
46C97.9Very high97.5Very high6 Ų637 Ų374%0.04120%0.202CC..Hα-helixtrans-58.8-44.3174.6-65.60000111.7V42 S43 Y49 Q50V42-C46 PolarHBondContact O-N 3.17Å; V42-C46 PolarHBondContact O-SG 3.41Å; V42-C46 VanDerWaalsContact O-SG 3.41Å; S43-C46 PolarHBondContact O-N 2.95Å; C46-Y49 PolarHBondContact O-N 2.82Å; C46-Q50 WeakPolarHBondContact O-CB 3.44Å; C46-Q50 VanDerWaalsContact O-CG 3.25Å; C46-Q50 WeakPolarHBondContact O-CG 3.15Å; C46-Q50 PolarHBondContact O-N 3.46Å
47L97.6Very high97.5Very high55 Ų5536.3 Ų36.329%0.28820%0.198SC..Hα-helixtrans-63.2-42.7177.1-68.2176000112.2N2 I4 S43 D44 I45 A51N2-L47 HydrophobicContact CB-CD1 4.49Å; I4-L47 HydrophobicContact CD1-CB 4.21Å; I4-L47 HydrophobicContact CD1-CD1 4.14Å; S43-L47 WeakPolarHBondContact O-CG 3.32Å; S43-L47 PolarHBondContact O-N 3.33Å; D44-L47 PolarHBondContact O-N 2.85Å; I45-L47 VanDerWaalsContact C-N 3.35Å; I45-L47 PolarHBondContact O-N 2.91Å; L47-A51 PolarHBondContact O-N 2.72Å; L47-A51 VanDerWaalsContact O-N 3.16Å
48A98.2Very high97.5Very high0 Ų036.3 Ų36.30%020%0.198CC..Hα-helixtrans-64-41.7174.900000111.8I4 L8 D44 I45 A51 G52 Q53 F56 F242I4-A48 HydrophobicContact CG2-CB 3.78Å; L8-A48 HydrophobicContact CD1-CB 3.9Å; D44-A48 WeakPolarHBondContact O-CB 3.44Å; D44-A48 PolarHBondContact O-N 3.14Å; I45-A48 PolarHBondContact O-N 3.4Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-G52 PolarHBondContact O-N 3.19Å; A48-Q53 HydrophobicContact CB-CB 4.3Å; A48-Q53 WeakPolarHBondContact O-CB 3.02Å; A48-Q53 PolarHBondContact O-N 3.06Å; A48-Q53 VanDerWaalsContact O-N 3.1Å; A48-F56 HydrophobicContact CB-CE1 3.77Å; A48-F56 HydrophobicContact CB-CZ 3.8Å; A48-F242 HydrophobicContact CB-CE1 3.96Å; A48-F242 HydrophobicContact CB-CZ 4.15Å
49Y98.5Very high97.6Very high27 Ų2734.4 Ų34.411%0.10619%0.192CC..Hα-helixtrans-65.1-43.7179.3176.9-85.2000112.1I45 C46 A51 G52 Q53 R54 D76 C77 A78 D79 I80I45-Y49 VanDerWaalsContact O-CB 3.3Å; I45-Y49 WeakPolarHBondContact O-CB 3.19Å; I45-Y49 PolarHBondContact O-N 2.77Å; C46-Y49 PolarHBondContact O-N 2.82Å; Y49-A51 PolarHBondContact O-N 2.88Å; Y49-G52 WeakPolarHBondContact O-CA 3.25Å; Y49-G52 PolarHBondContact O-N 2.92Å; Y49-Q53 WeakPolarHBondContact CA-O 3.21Å; Y49-R54 PolarHBondContact O-NH1 2.98Å; Y49-D76 WeakPolarHBondContact CE1-O 3.25Å; Y49-C77 HydrophobicContact CD1-CB 4.16Å; Y49-C77 HydrophobicContact CD2-CB 3.75Å; Y49-C77 HydrophobicContact CE1-CB 4.23Å; Y49-C77 HydrophobicContact CE2-CB 3.79Å; Y49-C77 HydrophobicContact CG-CB 3.92Å; Y49-C77 VanDerWaalsContact CG-SG 3.53Å; Y49-A78 PolarHBondContact OH-N 2.92Å; Y49-D79 VanDerWaalsContact CE2-OD1 3.25Å; Y49-D79 WeakPolarHBondContact CE2-OD1 3.28Å; Y49-D79 VanDerWaalsContact CZ-OD1 3.26Å; Y49-D79 PolarHBondContact OH-N 2.9Å; Y49-D79 PolarHBondContact OH-OD1 2.98Å; Y49-I80 HydrophobicContact CD2-CB 4.34Å; Y49-I80 HydrophobicContact CE2-CB 4.3Å
50Q97.5Very high97.7Very high136 Ų13635.8 Ų35.864%0.63620%0.195SC*.Hα-helixtrans-61.3-30.6173.9-73.4172.4-300112.1C46 G52C46-Q50 WeakPolarHBondContact O-CB 3.44Å; C46-Q50 VanDerWaalsContact O-CG 3.25Å; C46-Q50 WeakPolarHBondContact O-CG 3.15Å; C46-Q50 PolarHBondContact O-N 3.46Å; Q50-G52 PolarHBondContact O-N 2.55Å
51A97.3Very high97.7Very high31 Ų3135.6 Ų35.626%0.25620%0.196SC..THydrogen-bonded Turntrans-765.2172.400000114.2E5 L8 L47 A48 Y49E5-A51 HydrophobicContact CB-CB 4Å; E5-A51 HydrophobicContact CG-CB 3.77Å; L8-A51 HydrophobicContact CD1-CB 3.77Å; L47-A51 PolarHBondContact O-N 2.72Å; L47-A51 VanDerWaalsContact O-N 3.16Å; A48-A51 WeakPolarHBondContact O-CB 3.32Å; A48-A51 PolarHBondContact O-N 2.97Å; Y49-A51 PolarHBondContact O-N 2.88Å
52G97.6Very high97.8Very high47 Ų4737.5 Ų37.549%0.48520%0.2SC..THydrogen-bonded Turntrans96.2-1176.600000115A48 Y49 Q50A48-G52 PolarHBondContact O-N 3.19Å; Y49-G52 WeakPolarHBondContact O-CA 3.25Å; Y49-G52 PolarHBondContact O-N 2.92Å; Q50-G52 PolarHBondContact O-N 2.55Å
53Q98.5Very high97.8Very high11 Ų1137.9 Ų37.95%0.05120%0.2CC..  trans-68.2138.9175.7-173.356.94000110.3L8 L33 A35 A48 Y49 H55 F56L8-Q53 HydrophobicContact CD1-CB 4.14Å; L8-Q53 HydrophobicContact CD2-CB 4.44Å; L8-Q53 HydrophobicContact CD2-CG 4.47Å; L33-Q53 PolarHBondContact O-NE2 3.16Å; A35-Q53 HydrophobicContact CB-CG 3.72Å; A48-Q53 HydrophobicContact CB-CB 4.3Å; A48-Q53 WeakPolarHBondContact O-CB 3.02Å; A48-Q53 PolarHBondContact O-N 3.06Å; A48-Q53 VanDerWaalsContact O-N 3.1Å; Y49-Q53 WeakPolarHBondContact CA-O 3.21Å; Q53-H55 PolarHBondContact NE2-O 3.24Å; Q53-F56 HydrophobicContact CB-CE2 4.23Å; Q53-F56 HydrophobicContact CB-CZ 3.93Å; Q53-F56 HydrophobicContact CG-CD2 4.46Å; Q53-F56 HydrophobicContact CG-CE1 4.14Å; Q53-F56 HydrophobicContact CG-CE2 3.84Å; Q53-F56 HydrophobicContact CG-CZ 3.66Å
54R98.5Very high97.9Very high63 Ų6334.9 Ų34.924%0.23818%0.179CC..  trans-125.8-34.4179.1-66.5-62.8-179-92.89114.1Y49 F56 D79 R81Y49-R54 PolarHBondContact O-NH1 2.98Å; R54-F56 WeakPolarHBondContact O-CD2 3.17Å; R54-D79 WeakPolarHBondContact CD-OD1 3.36Å; R54-D79 WeakPolarHBondContact CD-OD2 3.25Å; R54-D79 IonicContact CZ-OD1 3.77Å; R54-D79 IonicContact NE-OD1 3.38Å; R54-D79 PolarHBondContact NE-OD1 3.28Å; R54-D79 IonicContact NE-OD2 3.5Å; R54-D79 PolarHBondContact NE-OD2 3.23Å; R54-D79 IonicContact NH2-OD1 2.66Å; R54-R81 WeakPolarHBondContact O-CB 3.48Å; R54-R81 PolarHBondContact O-N 2.78Å
55H98.9Very high98Very high20 Ų2033.9 Ų33.99%0.09317%0.173CC..EExtended strand (participates in β ladder)trans-92.9118.2-177.8-68.5-87.9000110.1R32 V34 A35 Q53 R81 H83 Y104R32-H55 WeakPolarHBondContact CD-ND1 3.42Å; R32-H55 HydrophobicContact CG-CB 4.31Å; R32-H55 PolarHBondContact NE-CE1 3.34Å; V34-H55 HydrophobicContact CG2-CB 4.42Å; A35-H55 PolarHBondContact N-O 2.81Å; Q53-H55 PolarHBondContact NE2-O 3.24Å; H55-R81 WeakPolarHBondContact CA-O 3.34Å; H55-R81 WeakPolarHBondContact CE1-CD 3.48Å; H55-R81 WeakPolarHBondContact NE2-CD 3.5Å; H55-R81 PolarHBondContact NE2-NH1 2.84Å; H55-H83 AromaticContact CE1-NE2 3.79Å; H55-H83 AromaticContact CG-NE2 3.68Å; H55-H83 AromaticContact ND1-CD2 3.81Å; H55-H83 AromaticContact ND1-CE1 3.73Å; H55-H83 AromaticContact ND1-NE2 2.82Å; H55-H83 PolarHBondContact ND1-NE2 2.82Å; H55-Y104 AromaticContact CE1-CD1 3.97Å; H55-Y104 AromaticContact CE1-CE1 3.6Å; H55-Y104 AromaticContact CE1-CZ 3.81Å
56F98.8Very high98Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-123.1134.5-179-70-97.5000110.6A35 I45 A48 Q53 R54 I80 R81 W82 H83 F242A35-F56 HydrophobicContact CB-CD1 4Å; A35-F56 HydrophobicContact CB-CE1 4.17Å; A35-F56 CarbonylContact O-C 3.46Å; A35-F56 VanDerWaalsContact O-CA 3.28Å; A35-F56 WeakPolarHBondContact O-CA 3.3Å; I45-F56 HydrophobicContact CB-CE1 4.41Å; I45-F56 HydrophobicContact CG2-CD1 4.04Å; I45-F56 HydrophobicContact CG2-CE1 3.78Å; I45-F56 HydrophobicContact CG2-CZ 4.04Å; A48-F56 HydrophobicContact CB-CE1 3.77Å; A48-F56 HydrophobicContact CB-CZ 3.8Å; Q53-F56 HydrophobicContact CB-CE2 4.23Å; Q53-F56 HydrophobicContact CB-CZ 3.93Å; Q53-F56 HydrophobicContact CG-CD2 4.46Å; Q53-F56 HydrophobicContact CG-CE1 4.14Å; Q53-F56 HydrophobicContact CG-CE2 3.84Å; Q53-F56 HydrophobicContact CG-CZ 3.66Å; R54-F56 WeakPolarHBondContact O-CD2 3.17Å; F56-I80 HydrophobicContact CD2-CD1 3.54Å; F56-I80 HydrophobicContact CD2-CG1 3.5Å; F56-I80 VanDerWaalsContact CD2-CG1 3.5Å; F56-I80 HydrophobicContact CE2-CD1 3.8Å; F56-I80 HydrophobicContact CE2-CG1 3.92Å; F56-I80 HydrophobicContact CG-CD1 4.11Å; F56-I80 HydrophobicContact CG-CG1 4.36Å; F56-R81 PolarHBondContact N-O 2.8Å; F56-W82 HydrophobicContact CB-CE3 3.7Å; F56-W82 HydrophobicContact CB-CH2 4.39Å; F56-W82 HydrophobicContact CB-CZ3 3.52Å; F56-W82 HydrophobicContact CG-CZ3 4.3Å; F56-H83 PolarHBondContact O-N 2.66Å; F56-F242 HydrophobicContact CE1-CZ 4.17Å
57G98.6Very high98Very high0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-106.2130.5-178.400000112.1A35 V36 S37 H83A35-G57 PolarHBondContact O-N 2.91Å; V36-G57 WeakPolarHBondContact CA-O 3.36Å; S37-G57 PolarHBondContact N-O 3.38Å; S37-G57 VanDerWaalsContact N-O 3.14Å; G57-H83 WeakPolarHBondContact CA-O 3.46Å
58E98.4Very high98Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-122.8138.7173.9-67.4-62.415500111.2S37 K38 L64 K67 W82 H83 I85S37-E58 WeakPolarHBondContact CB-OE1 3.38Å; S37-E58 PolarHBondContact OG-OE1 2.66Å; K38-E58 WeakPolarHBondContact CA-OE2 3.39Å; E58-L64 HydrophobicContact CB-CB 3.78Å; E58-L64 HydrophobicContact CB-CD1 4.08Å; E58-L64 HydrophobicContact CB-CD2 4.35Å; E58-L64 HydrophobicContact CB-CG 4.27Å; E58-L64 HydrophobicContact CG-CB 4.08Å; E58-L64 HydrophobicContact CG-CD1 3.78Å; E58-L64 HydrophobicContact CG-CG 4.43Å; E58-K67 HydrophobicContact CG-CD 4.47Å; E58-K67 WeakPolarHBondContact OE1-CD 3.49Å; E58-K67 IonicContact OE1-NZ 2.74Å; E58-K67 PolarHBondContact OE1-NZ 2.66Å; E58-K67 IonicContact OE2-NZ 3.7Å; E58-K67 PolarHBondContact OE2-NZ 3.04Å; E58-W82 HydrophobicContact CG-CE3 4.12Å; E58-W82 HydrophobicContact CG-CZ3 4.02Å; E58-H83 PolarHBondContact N-O 3.11Å; E58-I85 WeakPolarHBondContact O-CG1 3.22Å; E58-I85 PolarHBondContact O-N 2.8Å
59N97Very high98Very high41 Ų4143.1 Ų43.122%0.21921%0.214CC..SBendtrans-90-31.2179.2-73.524.6000112.3K38 I85 G86K38-N59 HydrophobicContact CB-CB 4.48Å; K38-N59 HydrophobicContact CD-CB 4.23Å; K38-N59 WeakPolarHBondContact CD-ND2 3.42Å; N59-I85 VanDerWaalsContact OD1-CD1 3.28Å; N59-I85 WeakPolarHBondContact OD1-CD1 3.45Å; N59-I85 VanDerWaalsContact OD1-CG1 3.28Å; N59-I85 WeakPolarHBondContact OD1-CG1 3.46Å; N59-G86 WeakPolarHBondContact O-CA 3.44Å
60Y97.4Very high98Very high114 Ų11444 Ų4445%0.44722%0.221SC..  trans-111.4122.3-169.7-57.2-76.1000110.7F39 Q62 E63 L64F39-Y60 HydrophobicContact CD1-CE2 4.49Å; F39-Y60 HydrophobicContact CE1-CD2 4.12Å; F39-Y60 AromaticContact CE1-CE2 3.59Å; F39-Y60 HydrophobicContact CE1-CE2 3.59Å; F39-Y60 AromaticContact CE2-CE2 3.93Å; F39-Y60 HydrophobicContact CE2-CE2 3.93Å; F39-Y60 HydrophobicContact CZ-CD2 4.23Å; F39-Y60 AromaticContact CZ-CE2 3.27Å; F39-Y60 HydrophobicContact CZ-CE2 3.27Å; F39-Y60 AromaticContact CZ-CZ 3.71Å; Y60-Q62 VanDerWaalsContact C-N 3.29Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Y60-E63 PolarHBondContact O-N 3.14Å; Y60-L64 PolarHBondContact O-N 3.47Å
61V97.7Very high98Very high17 Ų1744.7 Ų44.710%0.10322%0.224CC..Hα-helixtrans-54.6-42.7-179.4168.90000112.4L64 L65 L84 L88 K92 V96V61-L64 PolarHBondContact O-N 2.91Å; V61-L65 HydrophobicContact CG1-CD1 3.71Å; V61-L65 HydrophobicContact CG1-CG 4.36Å; V61-L65 WeakPolarHBondContact O-CB 3.28Å; V61-L65 WeakPolarHBondContact O-CD1 3.13Å; V61-L65 VanDerWaalsContact O-CG 3.23Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 3.25Å; V61-L84 HydrophobicContact CG2-CD1 4.19Å; V61-L84 HydrophobicContact CG2-CD2 4.25Å; V61-L88 HydrophobicContact CG2-CD1 3.98Å; V61-K92 HydrophobicContact CG1-CB 4.31Å; V61-V96 HydrophobicContact CB-CG2 4.33Å; V61-V96 HydrophobicContact CG1-CG2 3.51Å; V61-V96 HydrophobicContact CG2-CG2 3.89Å
62Q97.1Very high98Very high97 Ų9747.5 Ų47.545%0.45323%0.232SC..Hα-helixtrans-67.5-37179.6-61.4-53.7-34.800112.3Y60 L65 K66 K95Y60-Q62 VanDerWaalsContact C-N 3.29Å; Y60-Q62 PolarHBondContact O-N 2.94Å; Q62-L65 PolarHBondContact O-N 3.42Å; Q62-K66 WeakPolarHBondContact O-CB 3.48Å; Q62-K66 PolarHBondContact O-N 2.97Å; Q62-K95 VanDerWaalsContact OE1-NZ 3.11Å
63E97.6Very high98Very high33 Ų3345.3 Ų45.315%0.15421%0.21CC..Hα-helixtrans-68.2-44.1177.3-173170.8-174.600110.8F39 Y60 L65 K66 K67F39-E63 VanDerWaalsContact CA-OE1 3.32Å; F39-E63 WeakPolarHBondContact CA-OE1 3.26Å; F39-E63 PolarHBondContact N-OE1 2.7Å; F39-E63 PolarHBondContact N-OE2 3.34Å; Y60-E63 PolarHBondContact O-N 3.14Å; E63-L65 PolarHBondContact O-N 3.07Å; E63-K66 PolarHBondContact O-N 2.72Å; E63-K67 HydrophobicContact CG-CD 4Å; E63-K67 WeakPolarHBondContact O-CB 3.47Å; E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 2.68Å; E63-K67 VanDerWaalsContact OE1-CE 3.28Å; E63-K67 WeakPolarHBondContact OE1-CE 3.34Å; E63-K67 IonicContact OE1-NZ 3Å; E63-K67 PolarHBondContact OE1-NZ 2.84Å
64L98.3Very high98Very high0 Ų048.2 Ų48.20%023%0.225CC..Hα-helixtrans-61.2-43.1174.9-18054.8000111.7E58 Y60 V61 K66 K67 S68 W82 L84 I100E58-L64 HydrophobicContact CB-CB 3.78Å; E58-L64 HydrophobicContact CB-CD1 4.08Å; E58-L64 HydrophobicContact CB-CD2 4.35Å; E58-L64 HydrophobicContact CB-CG 4.27Å; E58-L64 HydrophobicContact CG-CB 4.08Å; E58-L64 HydrophobicContact CG-CD1 3.78Å; E58-L64 HydrophobicContact CG-CG 4.43Å; Y60-L64 PolarHBondContact O-N 3.47Å; V61-L64 PolarHBondContact O-N 2.91Å; L64-K66 PolarHBondContact O-N 3.49Å; L64-K67 PolarHBondContact O-N 3.27Å; L64-S68 VanDerWaalsContact O-CB 3.22Å; L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.02Å; L64-S68 PolarHBondContact O-OG 2.87Å; L64-W82 HydrophobicContact CD1-CB 3.84Å; L64-W82 HydrophobicContact CD1-CD2 3.57Å; L64-W82 HydrophobicContact CD1-CE3 3.58Å; L64-W82 HydrophobicContact CD1-CG 3.7Å; L64-W82 HydrophobicContact CD1-CZ3 4.34Å; L64-L84 HydrophobicContact CD2-CB 4.17Å; L64-L84 HydrophobicContact CD2-CD1 4.12Å; L64-I100 HydrophobicContact CB-CD1 4.34Å; L64-I100 HydrophobicContact CD1-CG2 4.37Å; L64-I100 HydrophobicContact CD2-CD1 3.43Å; L64-I100 VanDerWaalsContact CD2-CD1 3.43Å; L64-I100 HydrophobicContact CD2-CG2 4.39Å; L64-I100 HydrophobicContact CG-CD1 3.56Å; L64-I100 HydrophobicContact CG-CG1 4.26Å; L64-I100 HydrophobicContact CG-CG2 4.24Å
65L98Very high97.9Very high13 Ų1350.5 Ų50.57%0.06824%0.241CC..Hα-helixtrans-60.9-44.4175.5-77.1162.7000111.8V61 Q62 E63 S68 N69 K95 I100V61-L65 HydrophobicContact CG1-CD1 3.71Å; V61-L65 HydrophobicContact CG1-CG 4.36Å; V61-L65 WeakPolarHBondContact O-CB 3.28Å; V61-L65 WeakPolarHBondContact O-CD1 3.13Å; V61-L65 VanDerWaalsContact O-CG 3.23Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 3.25Å; Q62-L65 PolarHBondContact O-N 3.42Å; E63-L65 PolarHBondContact O-N 3.07Å; L65-S68 PolarHBondContact O-OG 3.31Å; L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 3.19Å; L65-N69 PolarHBondContact O-ND2 2.82Å; L65-K95 HydrophobicContact CD1-CD 3.56Å; L65-K95 VanDerWaalsContact CD1-CE 3.47Å; L65-K95 HydrophobicContact CD1-CG 3.88Å; L65-K95 HydrophobicContact CD2-CG 4.28Å; L65-I100 HydrophobicContact CD2-CD1 4.25Å; L65-I100 HydrophobicContact CD2-CG1 3.68Å; L65-I100 HydrophobicContact CG-CD1 4.34Å; L65-I100 HydrophobicContact CG-CG1 4.2Å
66K98Very high97.8Very high162 Ų16253 Ų5370%0.70426%0.255SS*.Hα-helixtrans-60.7-50.5177-177.7-179.8177.9179.70111.1Q62 E63 L64 D70Q62-K66 WeakPolarHBondContact O-CB 3.48Å; Q62-K66 PolarHBondContact O-N 2.97Å; E63-K66 PolarHBondContact O-N 2.72Å; L64-K66 PolarHBondContact O-N 3.49Å; K66-D70 PolarHBondContact O-N 2.92Å; K66-D70 VanDerWaalsContact O-N 3.16Å
67K98.3Very high97.8Very high9 Ų953 Ų534%0.03926%0.255CS..Hα-helixtrans-67.1-47.4-177.8-72.7169.9173.7171.10112.4S37 K40 I45 E58 E63 L64 N69 D70 L73 W82S37-K67 PolarHBondContact O-NZ 2.75Å; K40-K67 WeakPolarHBondContact O-CE 3.48Å; K40-K67 PolarHBondContact O-NZ 2.73Å; I45-K67 HydrophobicContact CD1-CD 3.63Å; I45-K67 HydrophobicContact CD1-CG 4.22Å; E58-K67 HydrophobicContact CG-CD 4.47Å; E58-K67 WeakPolarHBondContact OE1-CD 3.49Å; E58-K67 IonicContact OE1-NZ 2.74Å; E58-K67 PolarHBondContact OE1-NZ 2.66Å; E58-K67 IonicContact OE2-NZ 3.7Å; E58-K67 PolarHBondContact OE2-NZ 3.04Å; E63-K67 HydrophobicContact CG-CD 4Å; E63-K67 WeakPolarHBondContact O-CB 3.47Å; E63-K67 WeakPolarHBondContact O-CG 3.37Å; E63-K67 PolarHBondContact O-N 2.68Å; E63-K67 VanDerWaalsContact OE1-CE 3.28Å; E63-K67 WeakPolarHBondContact OE1-CE 3.34Å; E63-K67 IonicContact OE1-NZ 3Å; E63-K67 PolarHBondContact OE1-NZ 2.84Å; L64-K67 PolarHBondContact O-N 3.27Å; K67-N69 PolarHBondContact O-N 3.36Å; K67-D70 VanDerWaalsContact O-CB 3.26Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 3.1Å; K67-L73 HydrophobicContact CB-CD1 3.98Å; K67-L73 WeakPolarHBondContact O-CD1 3.28Å; K67-W82 HydrophobicContact CB-CH2 4.09Å; K67-W82 HydrophobicContact CB-CZ2 4.32Å
68S97.8Very high97.6Very high1 Ų156.1 Ų56.11%0.00728%0.28CS..Hα-helixtrans-65.7-23.9-177.958.70000113.4L64 L65 L74 P101L64-S68 VanDerWaalsContact O-CB 3.22Å; L64-S68 WeakPolarHBondContact O-CB 3.41Å; L64-S68 PolarHBondContact O-N 3.02Å; L64-S68 PolarHBondContact O-OG 2.87Å; L65-S68 PolarHBondContact O-OG 3.31Å; S68-L74 WeakPolarHBondContact O-CD2 3.5Å; S68-P101 WeakPolarHBondContact O-CG 3.23Å
69N98.1Very high97.6Very high83 Ų8359.4 Ų59.444%0.44430%0.298SS..THydrogen-bonded Turntrans-1029.3174.5-64.8-88.1000113.1L65 K67 E71 S99L65-N69 WeakPolarHBondContact O-CB 3.44Å; L65-N69 PolarHBondContact O-N 3.19Å; L65-N69 PolarHBondContact O-ND2 2.82Å; K67-N69 PolarHBondContact O-N 3.36Å; N69-E71 PolarHBondContact O-N 3.39Å; N69-S99 PolarHBondContact ND2-O 2.73Å; N69-S99 PolarHBondContact OD1-O 3.45Å
70D98.3Very high97.6Very high47 Ų4757.6 Ų57.625%0.25129%0.288SS..  trans-69.7128.9174.6-172.5-82.8000109.6V42 K66 K67 Q72 L73 L74V42-D70 HydrophobicContact CG2-CB 4.16Å; K66-D70 PolarHBondContact O-N 2.92Å; K66-D70 VanDerWaalsContact O-N 3.16Å; K67-D70 VanDerWaalsContact O-CB 3.26Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 3.1Å; D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 3.14Å; D70-Q72 VanDerWaalsContact OD1-CB 3.3Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.34Å; D70-Q72 PolarHBondContact OD1-N 2.91Å; D70-L73 HydrophobicContact CB-CB 4.32Å; D70-L73 HydrophobicContact CB-CD1 4.18Å; D70-L73 HydrophobicContact CB-CG 4.34Å; D70-L73 PolarHBondContact O-N 3.49Å; D70-L73 VanDerWaalsContact O-N 3.17Å; D70-L73 PolarHBondContact OD1-N 2.82Å; D70-L74 WeakPolarHBondContact O-CG 3.43Å; D70-L74 PolarHBondContact O-N 3.18Å
71E97.7Very high97.7Very high149 Ų14956.5 Ų56.570%0.69628%0.283SS*.Hα-helixtrans-58.6-38.9-175.2-175.8175.4-173.600111.9N69 L74 I75N69-E71 PolarHBondContact O-N 3.39Å; E71-L74 PolarHBondContact O-N 3.49Å; E71-I75 HydrophobicContact CG-CD1 3.81Å; E71-I75 VanDerWaalsContact O-CG1 3.31Å; E71-I75 WeakPolarHBondContact O-CG1 3.46Å; E71-I75 PolarHBondContact O-N 3.45Å; E71-I75 VanDerWaalsContact O-N 3.07Å
72Q97.6Very high97.7Very high90 Ų9055.8 Ų55.842%0.42128%0.279SS..Hα-helixtrans-66.5-44.1179.1-171.917810.400111.1V42 D70 L74 I75 D76V42-Q72 HydrophobicContact CG1-CB 4.27Å; D70-Q72 VanDerWaalsContact C-N 3.26Å; D70-Q72 PolarHBondContact O-N 3.14Å; D70-Q72 VanDerWaalsContact OD1-CB 3.3Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.34Å; D70-Q72 PolarHBondContact OD1-N 2.91Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.96Å; Q72-I75 PolarHBondContact O-N 2.94Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.35Å; Q72-D76 PolarHBondContact NE2-OD2 3.08Å; Q72-D76 VanDerWaalsContact NE2-OD2 3.14Å; Q72-D76 VanDerWaalsContact O-CB 3.28Å; Q72-D76 WeakPolarHBondContact O-CB 3.45Å; Q72-D76 PolarHBondContact O-N 3.03Å
73L98.1Very high97.8Very high2 Ų251.1 Ų51.11%0.0126%0.257CS..Hα-helixtrans-65.9-36.6177.8-70.3173.5000112V42 I45 K67 D70 I75 C77 W82V42-L73 HydrophobicContact CB-CD1 4.46Å; V42-L73 HydrophobicContact CG1-CD1 4.08Å; V42-L73 HydrophobicContact CG1-CD2 4.03Å; V42-L73 HydrophobicContact CG1-CG 3.68Å; V42-L73 HydrophobicContact CG2-CD1 3.91Å; V42-L73 HydrophobicContact CG2-CG 4.41Å; I45-L73 HydrophobicContact CB-CD2 4.09Å; I45-L73 HydrophobicContact CD1-CD1 4.47Å; I45-L73 HydrophobicContact CG2-CD1 4.47Å; I45-L73 HydrophobicContact CG2-CD2 3.64Å; K67-L73 HydrophobicContact CB-CD1 3.98Å; K67-L73 WeakPolarHBondContact O-CD1 3.28Å; D70-L73 HydrophobicContact CB-CB 4.32Å; D70-L73 HydrophobicContact CB-CD1 4.18Å; D70-L73 HydrophobicContact CB-CG 4.34Å; D70-L73 PolarHBondContact O-N 3.49Å; D70-L73 VanDerWaalsContact O-N 3.17Å; D70-L73 PolarHBondContact OD1-N 2.82Å; L73-I75 VanDerWaalsContact C-N 3.32Å; L73-I75 PolarHBondContact O-N 2.78Å; L73-C77 HydrophobicContact CD2-CB 4.23Å; L73-C77 CarbonylContact O-C 3.55Å; L73-C77 VanDerWaalsContact O-CA 3.25Å; L73-C77 WeakPolarHBondContact O-CA 3.4Å; L73-C77 WeakPolarHBondContact O-CB 3.21Å; L73-C77 PolarHBondContact O-N 3.44Å; L73-W82 HydrophobicContact CD1-CH2 4.3Å; L73-W82 HydrophobicContact CD1-CZ2 4.11Å
74L97.5Very high97.9Very high71 Ų7149.6 Ų49.637%0.37225%0.25SC..Hα-helixtrans-64-37.9176.5-72.5171.4000112.5S68 D70 E71 Q72 P101S68-L74 WeakPolarHBondContact O-CD2 3.5Å; D70-L74 WeakPolarHBondContact O-CG 3.43Å; D70-L74 PolarHBondContact O-N 3.18Å; E71-L74 PolarHBondContact O-N 3.49Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.96Å; L74-P101 HydrophobicContact CD2-CB 4.27Å; L74-P101 HydrophobicContact CD2-CG 3.81Å
75I97Very high97.9Very high112 Ų11250 Ų5057%0.57425%0.252SS*.Hα-helixtrans-81.4-54.1-179.4-65.8169.3000111E71 Q72 L73E71-I75 HydrophobicContact CG-CD1 3.81Å; E71-I75 VanDerWaalsContact O-CG1 3.31Å; E71-I75 WeakPolarHBondContact O-CG1 3.46Å; E71-I75 PolarHBondContact O-N 3.45Å; E71-I75 VanDerWaalsContact O-N 3.07Å; Q72-I75 PolarHBondContact O-N 2.94Å; L73-I75 VanDerWaalsContact C-N 3.32Å; L73-I75 PolarHBondContact O-N 2.78Å
76D97Very high97.8Very high72 Ų7249.9 Ų49.939%0.38525%0.254SS..Hα-helixtrans-82-24.6-170-65.8-17000112.3Y49 Q72Y49-D76 WeakPolarHBondContact CE1-O 3.25Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.35Å; Q72-D76 PolarHBondContact NE2-OD2 3.08Å; Q72-D76 VanDerWaalsContact NE2-OD2 3.14Å; Q72-D76 VanDerWaalsContact O-CB 3.28Å; Q72-D76 WeakPolarHBondContact O-CB 3.45Å; Q72-D76 PolarHBondContact O-N 3.03Å
77C98Very high97.6Very high1 Ų146.5 Ų46.51%0.00724%0.24CC..THydrogen-bonded Turntrans-118.745.4-170.6-540000113.6Y49 L73 D79 I80Y49-C77 HydrophobicContact CD1-CB 4.16Å; Y49-C77 HydrophobicContact CD2-CB 3.75Å; Y49-C77 HydrophobicContact CE1-CB 4.23Å; Y49-C77 HydrophobicContact CE2-CB 3.79Å; Y49-C77 HydrophobicContact CG-CB 3.92Å; Y49-C77 VanDerWaalsContact CG-SG 3.53Å; L73-C77 HydrophobicContact CD2-CB 4.23Å; L73-C77 CarbonylContact O-C 3.55Å; L73-C77 VanDerWaalsContact O-CA 3.25Å; L73-C77 WeakPolarHBondContact O-CA 3.4Å; L73-C77 WeakPolarHBondContact O-CB 3.21Å; L73-C77 PolarHBondContact O-N 3.44Å; C77-D79 VanDerWaalsContact C-N 3.29Å; C77-D79 PolarHBondContact O-N 2.85Å; C77-D79 VanDerWaalsContact O-N 3.08Å; C77-I80 HydrophobicContact CB-CB 4.11Å; C77-I80 HydrophobicContact CB-CD1 4.32Å; C77-I80 HydrophobicContact CB-CG2 4.36Å; C77-I80 WeakPolarHBondContact O-CB 3.48Å; C77-I80 WeakPolarHBondContact O-CG2 3.37Å; C77-I80 PolarHBondContact O-N 3.2Å
78A95.2Very high97.5Very high64 Ų6446.2 Ų46.253%0.52924%0.239SC..THydrogen-bonded Turntrans-53.9-31.2-169.900000116.7Y49 Q102Y49-A78 PolarHBondContact OH-N 2.92Å; A78-Q102 PolarHBondContact O-NE2 3.34Å
79D97.2Very high97.3Very high70 Ų7051.3 Ų51.337%0.37426%0.263SS..THydrogen-bonded Turntrans-110.521179.377.9-33.2000113.8Y49 R54 C77Y49-D79 VanDerWaalsContact CE2-OD1 3.25Å; Y49-D79 WeakPolarHBondContact CE2-OD1 3.28Å; Y49-D79 VanDerWaalsContact CZ-OD1 3.26Å; Y49-D79 PolarHBondContact OH-N 2.9Å; Y49-D79 PolarHBondContact OH-OD1 2.98Å; R54-D79 WeakPolarHBondContact CD-OD1 3.36Å; R54-D79 WeakPolarHBondContact CD-OD2 3.25Å; R54-D79 IonicContact CZ-OD1 3.77Å; R54-D79 IonicContact NE-OD1 3.38Å; R54-D79 PolarHBondContact NE-OD1 3.28Å; R54-D79 IonicContact NE-OD2 3.5Å; R54-D79 PolarHBondContact NE-OD2 3.23Å; R54-D79 IonicContact NH2-OD1 2.66Å; C77-D79 VanDerWaalsContact C-N 3.29Å; C77-D79 PolarHBondContact O-N 2.85Å; C77-D79 VanDerWaalsContact O-N 3.08Å
80I98.6Very high97.1Very high2 Ų250.7 Ų50.71%0.0127%0.265CS..  trans-56.6146.2170.7-165.6162000110.7I45 Y49 F56 C77 W82 Q102I45-I80 HydrophobicContact CG2-CD1 3.85Å; Y49-I80 HydrophobicContact CD2-CB 4.34Å; Y49-I80 HydrophobicContact CE2-CB 4.3Å; F56-I80 HydrophobicContact CD2-CD1 3.54Å; F56-I80 HydrophobicContact CD2-CG1 3.5Å; F56-I80 VanDerWaalsContact CD2-CG1 3.5Å; F56-I80 HydrophobicContact CE2-CD1 3.8Å; F56-I80 HydrophobicContact CE2-CG1 3.92Å; F56-I80 HydrophobicContact CG-CD1 4.11Å; F56-I80 HydrophobicContact CG-CG1 4.36Å; C77-I80 HydrophobicContact CB-CB 4.11Å; C77-I80 HydrophobicContact CB-CD1 4.32Å; C77-I80 HydrophobicContact CB-CG2 4.36Å; C77-I80 WeakPolarHBondContact O-CB 3.48Å; C77-I80 WeakPolarHBondContact O-CG2 3.37Å; C77-I80 PolarHBondContact O-N 3.2Å; I80-W82 HydrophobicContact CD1-CD2 4.49Å; I80-W82 HydrophobicContact CD1-CH2 3.63Å; I80-W82 HydrophobicContact CD1-CZ2 3.38Å; I80-W82 HydrophobicContact CD1-CZ3 4.27Å; I80-W82 HydrophobicContact CG1-CD2 4.5Å; I80-W82 HydrophobicContact CG1-CZ2 4.16Å; I80-W82 HydrophobicContact CG2-CZ2 4.45Å; I80-Q102 HydrophobicContact CG2-CB 4.41Å; I80-Q102 HydrophobicContact CG2-CG 4.49Å; I80-Q102 WeakPolarHBondContact O-CB 3.35Å
81R98.7Very high96.9Very high92 Ų9254.1 Ų54.135%0.34728%0.283SS..EExtended strand (participates in β ladder)trans-124.8107-177.2-67175.9-169.6146.87.4108.7R54 H55 F56 H83 Y104R54-R81 WeakPolarHBondContact O-CB 3.48Å; R54-R81 PolarHBondContact O-N 2.78Å; H55-R81 WeakPolarHBondContact CA-O 3.34Å; H55-R81 WeakPolarHBondContact CE1-CD 3.48Å; H55-R81 WeakPolarHBondContact NE2-CD 3.5Å; H55-R81 PolarHBondContact NE2-NH1 2.84Å; F56-R81 PolarHBondContact N-O 2.8Å; R81-H83 PolarHBondContact O-CD2 3.49Å; R81-Y104 HydrophobicContact CB-CD1 4.45Å; R81-Y104 HydrophobicContact CB-CD2 4.17Å; R81-Y104 HydrophobicContact CB-CG 3.86Å; R81-Y104 HydrophobicContact CG-CD2 3.92Å; R81-Y104 HydrophobicContact CG-CG 4.14Å
82W98.8Very high96.9Very high1 Ų150.1 Ų50.10%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-84.6129.9-179.4-65.2112000112I45 F56 E58 L64 K67 L73 I80 I100 Q102 Y104 M105I45-W82 HydrophobicContact CD1-CH2 4.07Å; I45-W82 HydrophobicContact CG2-CH2 4.16Å; F56-W82 HydrophobicContact CB-CE3 3.7Å; F56-W82 HydrophobicContact CB-CH2 4.39Å; F56-W82 HydrophobicContact CB-CZ3 3.52Å; F56-W82 HydrophobicContact CG-CZ3 4.3Å; E58-W82 HydrophobicContact CG-CE3 4.12Å; E58-W82 HydrophobicContact CG-CZ3 4.02Å; L64-W82 HydrophobicContact CD1-CB 3.84Å; L64-W82 HydrophobicContact CD1-CD2 3.57Å; L64-W82 HydrophobicContact CD1-CE3 3.58Å; L64-W82 HydrophobicContact CD1-CG 3.7Å; L64-W82 HydrophobicContact CD1-CZ3 4.34Å; K67-W82 HydrophobicContact CB-CH2 4.09Å; K67-W82 HydrophobicContact CB-CZ2 4.32Å; L73-W82 HydrophobicContact CD1-CH2 4.3Å; L73-W82 HydrophobicContact CD1-CZ2 4.11Å; I80-W82 HydrophobicContact CD1-CD2 4.49Å; I80-W82 HydrophobicContact CD1-CH2 3.63Å; I80-W82 HydrophobicContact CD1-CZ2 3.38Å; I80-W82 HydrophobicContact CD1-CZ3 4.27Å; I80-W82 HydrophobicContact CG1-CD2 4.5Å; I80-W82 HydrophobicContact CG1-CZ2 4.16Å; I80-W82 HydrophobicContact CG2-CZ2 4.45Å; W82-I100 HydrophobicContact CB-CG2 4.44Å; W82-Q102 PolarHBondContact N-O 3.38Å; W82-Y104 WeakPolarHBondContact O-CB 3.5Å; W82-Y104 PolarHBondContact O-N 3.35Å; W82-M105 PolarHBondContact O-N 3.49Å
83H98.8Very high96.9Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-110.2119.7171.4-68.2-126000108.5V34 H55 F56 G57 E58 R81 I85 Y104 M105 E107V34-H83 HydrophobicContact CG1-CB 4.17Å; H55-H83 AromaticContact CE1-NE2 3.79Å; H55-H83 AromaticContact CG-NE2 3.68Å; H55-H83 AromaticContact ND1-CD2 3.81Å; H55-H83 AromaticContact ND1-CE1 3.73Å; H55-H83 AromaticContact ND1-NE2 2.82Å; H55-H83 PolarHBondContact ND1-NE2 2.82Å; F56-H83 PolarHBondContact O-N 2.66Å; G57-H83 WeakPolarHBondContact CA-O 3.46Å; E58-H83 PolarHBondContact N-O 3.11Å; R81-H83 PolarHBondContact O-CD2 3.49Å; H83-I85 HydrophobicContact CB-CG2 3.91Å; H83-I85 PolarHBondContact O-N 2.93Å; H83-Y104 AromaticContact CE1-CD1 3.77Å; H83-Y104 AromaticContact NE2-CD1 3.32Å; H83-Y104 VanDerWaalsContact NE2-CD1 3.32Å; H83-Y104 WeakPolarHBondContact NE2-CD1 3.18Å; H83-Y104 AromaticContact NE2-CE1 3.89Å; H83-M105 WeakPolarHBondContact CA-O 3.43Å; H83-E107 IonicContact CE1-OE1 2.69Å; H83-E107 IonicContact CG-OE1 3.63Å; H83-E107 IonicContact ND1-OE1 3.48Å; H83-E107 PolarHBondContact ND1-OE1 2.84Å
84L98.6Very high96.9Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-83.7111165.2-17863.8000108V61 L64 L88 V96 M105 I106 E107V61-L84 HydrophobicContact CG2-CD1 4.19Å; V61-L84 HydrophobicContact CG2-CD2 4.25Å; L64-L84 HydrophobicContact CD2-CB 4.17Å; L64-L84 HydrophobicContact CD2-CD1 4.12Å; L84-L88 HydrophobicContact CD2-CB 4Å; L84-L88 HydrophobicContact CD2-CD1 4.08Å; L84-L88 HydrophobicContact CD2-CD2 4.04Å; L84-L88 HydrophobicContact CD2-CG 4.27Å; L84-V96 HydrophobicContact CD2-CG1 4.28Å; L84-V96 HydrophobicContact CD2-CG2 4.47Å; L84-M105 PolarHBondContact N-O 3.3Å; L84-I106 HydrophobicContact CB-CG1 4.17Å; L84-I106 HydrophobicContact CD2-CD1 4.49Å; L84-I106 HydrophobicContact CD2-CG1 4.46Å; L84-I106 HydrophobicContact CD2-CG2 4.41Å; L84-E107 PolarHBondContact O-N 2.96Å
85I98Very high96.8Very high10 Ų1050.8 Ų50.85%0.05127%0.266CS..  trans-114.92.7-17559.6164.7000112.8V36 E58 N59 H83 E107 T108V36-I85 HydrophobicContact CB-CD1 4.45Å; V36-I85 HydrophobicContact CG1-CD1 4.02Å; V36-I85 HydrophobicContact CG2-CD1 3.64Å; E58-I85 WeakPolarHBondContact O-CG1 3.22Å; E58-I85 PolarHBondContact O-N 2.8Å; N59-I85 VanDerWaalsContact OD1-CD1 3.28Å; N59-I85 WeakPolarHBondContact OD1-CD1 3.45Å; N59-I85 VanDerWaalsContact OD1-CG1 3.28Å; N59-I85 WeakPolarHBondContact OD1-CG1 3.46Å; H83-I85 HydrophobicContact CB-CG2 3.91Å; H83-I85 PolarHBondContact O-N 2.93Å; I85-E107 HydrophobicContact CG2-CB 4.25Å; I85-E107 HydrophobicContact CG2-CG 4.14Å; I85-T108 WeakPolarHBondContact O-CG2 3.02Å
86G96.1Very high96.9Very high10 Ų1045.5 Ų45.510%0.10324%0.239CC..SBendtrans-108.5161.7171.300000111.9N59 L88 T108N59-G86 WeakPolarHBondContact O-CA 3.44Å; G86-L88 PolarHBondContact O-N 3.11Å; G86-T108 WeakPolarHBondContact O-CG2 3.32Å; G86-T108 PolarHBondContact O-OG1 2.72Å
87H94.4Very high96.9Very high91 Ų9142.2 Ų42.242%0.42122%0.222SC..  trans-53.1130.5-175.1179.671.9000112.6D110H87-D110 IonicContact ND1-OD2 3.42Å
88L96.4Very high96.8Very high2 Ų246.6 Ų46.61%0.0125%0.252CS..  trans-103.8107.2178.1178.755.1000110.7V61 L84 G86 K92 V93 V96 I106 L114 L118V61-L88 HydrophobicContact CG2-CD1 3.98Å; L84-L88 HydrophobicContact CD2-CB 4Å; L84-L88 HydrophobicContact CD2-CD1 4.08Å; L84-L88 HydrophobicContact CD2-CD2 4.04Å; L84-L88 HydrophobicContact CD2-CG 4.27Å; G86-L88 PolarHBondContact O-N 3.11Å; L88-K92 HydrophobicContact CD1-CB 3.98Å; L88-V93 HydrophobicContact CD2-CG2 3.96Å; L88-V93 HydrophobicContact CG-CG2 4.06Å; L88-V96 HydrophobicContact CD1-CB 4.46Å; L88-V96 HydrophobicContact CD1-CG2 3.78Å; L88-I106 HydrophobicContact CD2-CD1 3.82Å; L88-I106 HydrophobicContact CD2-CG2 4.5Å; L88-L114 HydrophobicContact CB-CD1 4.43Å; L88-L114 HydrophobicContact CB-CD2 4.5Å; L88-L114 HydrophobicContact CD2-CD1 4.16Å; L88-L114 HydrophobicContact CG-CD1 4.1Å; L88-L118 HydrophobicContact CD2-CD1 4.48Å; L88-L118 HydrophobicContact CD2-CD2 3.95Å; L88-L118 HydrophobicContact CD2-CG 4.48Å
89Q94.3Very high96.8Very high108 Ų10845.6 Ų45.651%0.50524%0.241SC..  trans-67.1136.9172.1-61.3176.8-45.200110.8N91 K92Q89-N91 WeakPolarHBondContact CB-OD1 3.22Å; Q89-N91 PolarHBondContact O-N 2.96Å; Q89-N91 VanDerWaalsContact O-N 3.13Å; Q89-K92 HydrophobicContact CB-CG 4.34Å; Q89-K92 PolarHBondContact O-N 2.94Å
90S92.5Very high96.8Very high70 Ų7042.6 Ų42.649%0.4923%0.225SC..G310 helixtrans-55.1-36.1-177.2-49.40000113.3K92 V93S90-K92 PolarHBondContact O-N 3.46Å; S90-V93 WeakPolarHBondContact O-CB 3.29Å; S90-V93 WeakPolarHBondContact O-CG2 3.39Å; S90-V93 PolarHBondContact O-N 3Å
91N95.1Very high96.6Very high120 Ų12044.5 Ų44.564%0.64224%0.238SC*.G310 helixtrans-70.2-10.9177.970.2-10.9000114.3Q89Q89-N91 WeakPolarHBondContact CB-OD1 3.22Å; Q89-N91 PolarHBondContact O-N 2.96Å; Q89-N91 VanDerWaalsContact O-N 3.13Å
92K97.2Very high96.5Very high65 Ų6543.1 Ų43.128%0.28324%0.235SC..G310 helixtrans-101.2-9.4175.5-58.5-52.1-179.6-170.80113.2V61 L88 Q89 S90 N94 K95 V96V61-K92 HydrophobicContact CG1-CB 4.31Å; L88-K92 HydrophobicContact CD1-CB 3.98Å; Q89-K92 HydrophobicContact CB-CG 4.34Å; Q89-K92 PolarHBondContact O-N 2.94Å; S90-K92 PolarHBondContact O-N 3.46Å; K92-N94 VanDerWaalsContact C-N 3.34Å; K92-N94 PolarHBondContact O-N 3.46Å; K92-K95 PolarHBondContact O-N 2.9Å; K92-K95 VanDerWaalsContact O-N 3.1Å; K92-V96 PolarHBondContact O-N 3.06Å
93V98.1Very high96.4Very high1 Ų144 Ų441%0.00624%0.24CC..Hα-helixtrans-51.5-51-178.2166.40000111.8L88 S90 K95 V96 V97 L114 S117 L118 A121L88-V93 HydrophobicContact CD2-CG2 3.96Å; L88-V93 HydrophobicContact CG-CG2 4.06Å; S90-V93 WeakPolarHBondContact O-CB 3.29Å; S90-V93 WeakPolarHBondContact O-CG2 3.39Å; S90-V93 PolarHBondContact O-N 3Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 2.91Å; V93-V96 PolarHBondContact O-N 2.71Å; V93-V97 HydrophobicContact CG1-CG2 4.44Å; V93-V97 WeakPolarHBondContact O-CB 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.28Å; V93-V97 PolarHBondContact O-N 3.06Å; V93-L114 HydrophobicContact CG2-CD1 3.6Å; V93-S117 WeakPolarHBondContact CG1-O 3.25Å; V93-L118 HydrophobicContact CG1-CD2 3.91Å; V93-L118 HydrophobicContact CG1-CG 4.17Å; V93-L118 HydrophobicContact CG2-CD2 4.48Å; V93-L118 HydrophobicContact CG2-CG 4.43Å; V93-A121 HydrophobicContact CG1-CB 3.76Å
94N96.6Very high96.4Very high87 Ų8746.1 Ų46.147%0.46525%0.248SC..Hα-helixtrans-58.9-46.6-179.3-67.2-12.1000111.4K92 V96 V97 S98 R124K92-N94 VanDerWaalsContact C-N 3.34Å; K92-N94 PolarHBondContact O-N 3.46Å; N94-V96 PolarHBondContact O-N 2.71Å; N94-V97 PolarHBondContact O-N 3.25Å; N94-S98 WeakPolarHBondContact O-CB 3.37Å; N94-S98 PolarHBondContact O-N 3.15Å; N94-S98 PolarHBondContact O-OG 3.41Å; N94-R124 PolarHBondContact OD1-NH2 2.82Å
95K97Very high96.4Very high89 Ų8946.1 Ų46.139%0.38725%0.248SC..Hα-helixtrans-62.4-43.4179.6-165.6-179.4-173-167.40111.6Q62 L65 K92 V93 S99Q62-K95 VanDerWaalsContact OE1-NZ 3.11Å; L65-K95 HydrophobicContact CD1-CD 3.56Å; L65-K95 VanDerWaalsContact CD1-CE 3.47Å; L65-K95 HydrophobicContact CD1-CG 3.88Å; L65-K95 HydrophobicContact CD2-CG 4.28Å; K92-K95 PolarHBondContact O-N 2.9Å; K92-K95 VanDerWaalsContact O-N 3.1Å; V93-K95 VanDerWaalsContact C-N 3.33Å; V93-K95 PolarHBondContact O-N 2.91Å; K95-S99 WeakPolarHBondContact O-CB 3.31Å; K95-S99 PolarHBondContact O-N 3.34Å; K95-S99 PolarHBondContact O-OG 3.48Å
96V97.8Very high96.4Very high0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-62.6-49178.21630000110.9V61 L84 L88 K92 V93 N94 I100 L103 I106V61-V96 HydrophobicContact CB-CG2 4.33Å; V61-V96 HydrophobicContact CG1-CG2 3.51Å; V61-V96 HydrophobicContact CG2-CG2 3.89Å; L84-V96 HydrophobicContact CD2-CG1 4.28Å; L84-V96 HydrophobicContact CD2-CG2 4.47Å; L88-V96 HydrophobicContact CD1-CB 4.46Å; L88-V96 HydrophobicContact CD1-CG2 3.78Å; K92-V96 PolarHBondContact O-N 3.06Å; V93-V96 PolarHBondContact O-N 2.71Å; N94-V96 PolarHBondContact O-N 2.71Å; V96-I100 HydrophobicContact CB-CD1 4.13Å; V96-I100 HydrophobicContact CG1-CD1 3.85Å; V96-I100 HydrophobicContact CG2-CD1 4.1Å; V96-I100 WeakPolarHBondContact O-CB 3.41Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.76Å; V96-L103 HydrophobicContact CG1-CD2 3.98Å; V96-I106 HydrophobicContact CG1-CD1 4.11Å
97V97.3Very high96.6Very high4 Ų445.2 Ų45.22%0.02424%0.241CC..Hα-helixtrans-72.7-34.1-175175.60000112.1V93 N94 L118 A121 V122 R125V93-V97 HydrophobicContact CG1-CG2 4.44Å; V93-V97 WeakPolarHBondContact O-CB 3.28Å; V93-V97 WeakPolarHBondContact O-CG2 3.28Å; V93-V97 PolarHBondContact O-N 3.06Å; N94-V97 PolarHBondContact O-N 3.25Å; V97-L118 HydrophobicContact CG2-CD2 3.81Å; V97-A121 HydrophobicContact CB-CB 3.93Å; V97-A121 HydrophobicContact CG1-CB 3.97Å; V97-A121 HydrophobicContact CG2-CB 3.98Å; V97-V122 HydrophobicContact CG1-CB 4.4Å; V97-V122 HydrophobicContact CG1-CG2 3.76Å; V97-V122 HydrophobicContact CG2-CG2 4.28Å; V97-R125 PolarHBondContact O-NE 2.9Å; V97-R125 VanDerWaalsContact O-NE 3.11Å; V97-R125 PolarHBondContact O-NH2 3.25Å
98S95.5Very high96.7Very high92 Ų9240.9 Ų40.964%0.64322%0.221SC*.Hα-helixtrans-83.7-26.4-179.664.70000114.3N94N94-S98 WeakPolarHBondContact O-CB 3.37Å; N94-S98 PolarHBondContact O-N 3.15Å; N94-S98 PolarHBondContact O-OG 3.41Å
99S96.4Very high96.8Very high43 Ų4340.8 Ų40.830%0.30122%0.22SC..Hα-helixtrans-124.14.7-163.6-51.80000114.7N69 K95 P101N69-S99 PolarHBondContact ND2-O 2.73Å; N69-S99 PolarHBondContact OD1-O 3.45Å; K95-S99 WeakPolarHBondContact O-CB 3.31Å; K95-S99 PolarHBondContact O-N 3.34Å; K95-S99 PolarHBondContact O-OG 3.48Å; S99-P101 VanDerWaalsContact O-CD 3.32Å; S99-P101 WeakPolarHBondContact O-CD 3.39Å
100I96.9Very high96.9Very high7 Ų737 Ų374%0.03620%0.204CC..  trans-104.2100.3171.4-63.5172000108.6L64 L65 W82 V96 L103L64-I100 HydrophobicContact CB-CD1 4.34Å; L64-I100 HydrophobicContact CD1-CG2 4.37Å; L64-I100 HydrophobicContact CD2-CD1 3.43Å; L64-I100 VanDerWaalsContact CD2-CD1 3.43Å; L64-I100 HydrophobicContact CD2-CG2 4.39Å; L64-I100 HydrophobicContact CG-CD1 3.56Å; L64-I100 HydrophobicContact CG-CG1 4.26Å; L64-I100 HydrophobicContact CG-CG2 4.24Å; L65-I100 HydrophobicContact CD2-CD1 4.25Å; L65-I100 HydrophobicContact CD2-CG1 3.68Å; L65-I100 HydrophobicContact CG-CD1 4.34Å; L65-I100 HydrophobicContact CG-CG1 4.2Å; W82-I100 HydrophobicContact CB-CG2 4.44Å; V96-I100 HydrophobicContact CB-CD1 4.13Å; V96-I100 HydrophobicContact CG1-CD1 3.85Å; V96-I100 HydrophobicContact CG2-CD1 4.1Å; V96-I100 WeakPolarHBondContact O-CB 3.41Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.76Å; I100-L103 HydrophobicContact CB-CB 4.2Å; I100-L103 HydrophobicContact CG2-CB 3.83Å; I100-L103 HydrophobicContact CG2-CD1 4.25Å
101P94.2Very high97.2Very high42 Ų4235.1 Ų35.127%0.27319%0.191SC..THydrogen-bonded Turntrans-63.2150.616928.6-34.9000109.9S68 L74 S99 L103S68-P101 WeakPolarHBondContact O-CG 3.23Å; L74-P101 HydrophobicContact CD2-CB 4.27Å; L74-P101 HydrophobicContact CD2-CG 3.81Å; S99-P101 VanDerWaalsContact O-CD 3.32Å; S99-P101 WeakPolarHBondContact O-CD 3.39Å; P101-L103 PolarHBondContact O-N 3.09Å
102Q95.8Very high97.3Very high64 Ų6431.9 Ų31.930%0.29918%0.175SC..THydrogen-bonded Turntrans50.928-176.8-49.4131.7-16.700115.1A78 I80 W82 Y104A78-Q102 PolarHBondContact O-NE2 3.34Å; I80-Q102 HydrophobicContact CG2-CB 4.41Å; I80-Q102 HydrophobicContact CG2-CG 4.49Å; I80-Q102 WeakPolarHBondContact O-CB 3.35Å; W82-Q102 PolarHBondContact N-O 3.38Å; Q102-Y104 PolarHBondContact O-N 3.12Å
103L97.9Very high97.3Very high19 Ų1934.9 Ų34.910%0.09919%0.19CC..EExtended strand (participates in β ladder)trans-59.1108.6168.4-179.762.8000109V96 I100 P101 I106 L132V96-L103 HydrophobicContact CG1-CD2 3.98Å; I100-L103 HydrophobicContact CB-CB 4.2Å; I100-L103 HydrophobicContact CG2-CB 3.83Å; I100-L103 HydrophobicContact CG2-CD1 4.25Å; P101-L103 PolarHBondContact O-N 3.09Å; L103-I106 HydrophobicContact CD1-CG1 4.34Å; L103-I106 HydrophobicContact CD2-CD1 4.35Å; L103-I106 HydrophobicContact CD2-CG1 4.4Å; L103-L132 HydrophobicContact CD2-CD1 3.84Å; L103-L132 HydrophobicContact CD2-CD2 4.31Å; L103-L132 HydrophobicContact CG-CD1 3.84Å
104Y98.3Very high97.3Very high45 Ų4534.9 Ų34.918%0.17619%0.19CC..EExtended strand (participates in β ladder)trans-92-41.3-175.3-178.8-98.2000111.8H55 R81 W82 H83 Q102 N133H55-Y104 AromaticContact CE1-CD1 3.97Å; H55-Y104 AromaticContact CE1-CE1 3.6Å; H55-Y104 AromaticContact CE1-CZ 3.81Å; R81-Y104 HydrophobicContact CB-CD1 4.45Å; R81-Y104 HydrophobicContact CB-CD2 4.17Å; R81-Y104 HydrophobicContact CB-CG 3.86Å; R81-Y104 HydrophobicContact CG-CD2 3.92Å; R81-Y104 HydrophobicContact CG-CG 4.14Å; W82-Y104 WeakPolarHBondContact O-CB 3.5Å; W82-Y104 PolarHBondContact O-N 3.35Å; H83-Y104 AromaticContact CE1-CD1 3.77Å; H83-Y104 AromaticContact NE2-CD1 3.32Å; H83-Y104 VanDerWaalsContact NE2-CD1 3.32Å; H83-Y104 WeakPolarHBondContact NE2-CD1 3.18Å; H83-Y104 AromaticContact NE2-CE1 3.89Å; Q102-Y104 PolarHBondContact O-N 3.12Å; Y104-N133 WeakPolarHBondContact O-CB 3.49Å; Y104-N133 PolarHBondContact O-ND2 3.37Å
105M98.6Very high97.4Very high0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-155.2146.4-174.4-170.5175.5-75.500112.7W82 H83 L84 E107 N133 M135 V171W82-M105 PolarHBondContact O-N 3.49Å; H83-M105 WeakPolarHBondContact CA-O 3.43Å; L84-M105 PolarHBondContact N-O 3.3Å; M105-E107 HydrophobicContact CG-CG 3.9Å; M105-E107 HydrophobicContact SD-CG 3.73Å; M105-N133 VanDerWaalsContact CA-O 3.31Å; M105-N133 WeakPolarHBondContact CA-O 3.38Å; M105-N133 HydrophobicContact CB-CB 4.19Å; M105-N133 HydrophobicContact CE-CB 3.86Å; M105-N133 HydrophobicContact CG-CB 4.07Å; M105-M135 HydrophobicContact CE-CE 4.06Å; M105-M135 HydrophobicContact SD-CE 3.63Å; M105-M135 HydrophobicContact SD-CG 3.89Å; M105-M135 HydrophobicContact SD-SD 3.93Å; M105-V171 HydrophobicContact CE-CB 4.05Å; M105-V171 HydrophobicContact CE-CG1 3.75Å; M105-V171 HydrophobicContact CE-CG2 4.13Å
106I98.7Very high97.5Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-112.9119.7162.4-61-179.4000107.5L84 L88 V96 L103 V109 L118 L132 N133 V134 M135L84-I106 HydrophobicContact CB-CG1 4.17Å; L84-I106 HydrophobicContact CD2-CD1 4.49Å; L84-I106 HydrophobicContact CD2-CG1 4.46Å; L84-I106 HydrophobicContact CD2-CG2 4.41Å; L88-I106 HydrophobicContact CD2-CD1 3.82Å; L88-I106 HydrophobicContact CD2-CG2 4.5Å; V96-I106 HydrophobicContact CG1-CD1 4.11Å; L103-I106 HydrophobicContact CD1-CG1 4.34Å; L103-I106 HydrophobicContact CD2-CD1 4.35Å; L103-I106 HydrophobicContact CD2-CG1 4.4Å; I106-V109 HydrophobicContact CG2-CG2 4.36Å; I106-L118 HydrophobicContact CD1-CD1 4.18Å; I106-L118 HydrophobicContact CD1-CD2 3.44Å; I106-L118 VanDerWaalsContact CD1-CD2 3.44Å; I106-L118 HydrophobicContact CD1-CG 4.49Å; I106-L132 HydrophobicContact CD1-CD2 3.81Å; I106-L132 HydrophobicContact CG1-CD2 4.23Å; I106-N133 PolarHBondContact N-O 3.21Å; I106-N133 VanDerWaalsContact N-O 3.07Å; I106-V134 CarbonylContact O-C 3.58Å; I106-V134 VanDerWaalsContact O-CA 3.26Å; I106-V134 WeakPolarHBondContact O-CA 3.5Å; I106-M135 PolarHBondContact O-N 2.68Å
107E98.7Very high97.5Very high0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-94.6-1.5-173.6-63.4-172.8-148.200113.8H83 L84 I85 M105 M135 M174 S217H83-E107 IonicContact CE1-OE1 2.69Å; H83-E107 IonicContact CG-OE1 3.63Å; H83-E107 IonicContact ND1-OE1 3.48Å; H83-E107 PolarHBondContact ND1-OE1 2.84Å; L84-E107 PolarHBondContact O-N 2.96Å; I85-E107 HydrophobicContact CG2-CB 4.25Å; I85-E107 HydrophobicContact CG2-CG 4.14Å; M105-E107 HydrophobicContact CG-CG 3.9Å; M105-E107 HydrophobicContact SD-CG 3.73Å; E107-M135 CarbonylContact C-O 3.47Å; E107-M135 HydrophobicContact CB-CB 4.35Å; E107-M135 HydrophobicContact CB-SD 4.38Å; E107-M135 HydrophobicContact CG-CG 4.35Å; E107-M135 HydrophobicContact CG-SD 3.91Å; E107-M174 HydrophobicContact CB-CB 4.27Å; E107-M174 HydrophobicContact CB-CE 4.31Å; E107-M174 HydrophobicContact CB-CG 4.09Å; E107-M174 VanDerWaalsContact O-CB 3.31Å; E107-M174 WeakPolarHBondContact O-CB 3.29Å; E107-M174 WeakPolarHBondContact O-CE 3.44Å; E107-S217 WeakPolarHBondContact OE2-CB 3.45Å; E107-S217 PolarHBondContact OE2-OG 3.41Å
108T98Very high97.6Very high0 Ų032.6 Ų32.60%018%0.182CC..EExtended strand (participates in β ladder)trans-115.729.7-164.566.60000113.9I85 G86 D110 Q137 M174I85-T108 WeakPolarHBondContact O-CG2 3.02Å; G86-T108 WeakPolarHBondContact O-CG2 3.32Å; G86-T108 PolarHBondContact O-OG1 2.72Å; T108-D110 PolarHBondContact O-N 2.79Å; T108-Q137 VanDerWaalsContact CB-OE1 3.32Å; T108-M174 HydrophobicContact CG2-CE 3.68Å
109V98.4Very high97.7Very high0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-75.6120.9177.1-178.30000109I106 A115 L118 V134 M135 V136 Q137 I161I106-V109 HydrophobicContact CG2-CG2 4.36Å; V109-A115 HydrophobicContact CG1-CB 3.97Å; V109-L118 HydrophobicContact CG2-CD1 3.7Å; V109-V134 HydrophobicContact CG2-CB 3.94Å; V109-V134 HydrophobicContact CG2-CG1 4.06Å; V109-M135 WeakPolarHBondContact CB-O 3.38Å; V109-M135 PolarHBondContact N-O 2.77Å; V109-M135 VanDerWaalsContact N-O 3.14Å; V109-V136 CarbonylContact O-C 3.55Å; V109-V136 WeakPolarHBondContact O-CA 3.45Å; V109-Q137 PolarHBondContact O-N 3.36Å; V109-I161 HydrophobicContact CG1-CD1 4.1Å
110D97Very high97.8Very high30 Ų3030 Ų3016%0.1617%0.165CC..  trans-129.12.6-173.460.83.5000113.9H87 T108 I149H87-D110 IonicContact ND1-OD2 3.42Å; T108-D110 PolarHBondContact O-N 2.79Å; D110-I149 WeakPolarHBondContact O-CB 3.33Å
111S97.4Very high97.8Very high30 Ų3029.9 Ų29.921%0.2117%0.165CC..SBendtrans-153.5155.1-176.4560000112.4Q113 L114 A115S111-Q113 VanDerWaalsContact C-N 3.29Å; S111-Q113 PolarHBondContact O-N 3.45Å; S111-L114 PolarHBondContact O-N 3.24Å; S111-L114 VanDerWaalsContact OG-CB 3.25Å; S111-L114 WeakPolarHBondContact OG-CB 3.36Å; S111-L114 PolarHBondContact OG-N 3.2Å; S111-A115 PolarHBondContact O-N 3.28Å
112V97.9Very high97.9Very high51 Ų5128.2 Ų28.231%0.30915%0.154SC..Hα-helixtrans-59.5-43.8174.1169.80000110.2L114 A115 E116 L157V112-L114 VanDerWaalsContact C-N 3.33Å; V112-L114 PolarHBondContact O-N 2.97Å; V112-A115 WeakPolarHBondContact O-CB 3.45Å; V112-A115 PolarHBondContact O-N 3.21Å; V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.94Å; V112-L157 HydrophobicContact CG2-CD1 3.95Å
113Q97.8Very high98Very high128 Ų12827.2 Ų27.260%0.59816%0.161SC*.Hα-helixtrans-61.5-41.3-178.6-63.580.22.700111.8S111 S117S111-Q113 VanDerWaalsContact C-N 3.29Å; S111-Q113 PolarHBondContact O-N 3.45Å; Q113-S117 VanDerWaalsContact O-CB 3.26Å; Q113-S117 WeakPolarHBondContact O-CB 3.41Å; Q113-S117 PolarHBondContact O-N 3.15Å; Q113-S117 PolarHBondContact O-OG 2.81Å
114L98.2Very high97.9Very high2 Ų233.5 Ų33.51%0.0118%0.183CC..Hα-helixtrans-68.5-42.5176.1-179.956.8000111.4L88 V93 S111 V112 S117 L118L88-L114 HydrophobicContact CB-CD1 4.43Å; L88-L114 HydrophobicContact CB-CD2 4.5Å; L88-L114 HydrophobicContact CD2-CD1 4.16Å; L88-L114 HydrophobicContact CG-CD1 4.1Å; V93-L114 HydrophobicContact CG2-CD1 3.6Å; S111-L114 PolarHBondContact O-N 3.24Å; S111-L114 VanDerWaalsContact OG-CB 3.25Å; S111-L114 WeakPolarHBondContact OG-CB 3.36Å; S111-L114 PolarHBondContact OG-N 3.2Å; V112-L114 VanDerWaalsContact C-N 3.33Å; V112-L114 PolarHBondContact O-N 2.97Å; L114-S117 PolarHBondContact O-N 2.88Å; L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.29Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.32Å
115A98.5Very high97.6Very high0 Ų034 Ų340%019%0.185CC..Hα-helixtrans-59.9-49.1176.500000112.3V109 S111 V112 S117 L118 N119 L157 I161 L168V109-A115 HydrophobicContact CG1-CB 3.97Å; S111-A115 PolarHBondContact O-N 3.28Å; V112-A115 WeakPolarHBondContact O-CB 3.45Å; V112-A115 PolarHBondContact O-N 3.21Å; A115-S117 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 2.85Å; A115-N119 WeakPolarHBondContact O-CB 3.27Å; A115-N119 PolarHBondContact O-N 2.73Å; A115-L157 HydrophobicContact CB-CD1 4.48Å; A115-I161 HydrophobicContact CB-CD1 4.25Å; A115-I161 HydrophobicContact CB-CG1 3.77Å; A115-L168 WeakPolarHBondContact O-CD1 3.37Å
116E98.4Very high97.3Very high89 Ų8939 Ų3942%0.41622%0.217SC..Hα-helixtrans-64.3-41.2178.3-70.8-177.7161.400111.8V112 L118 N119 A120 H160V112-E116 HydrophobicContact CG1-CG 4.2Å; V112-E116 WeakPolarHBondContact O-CG 3.49Å; V112-E116 PolarHBondContact O-N 2.94Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.16Å; E116-N119 PolarHBondContact O-N 3.49Å; E116-A120 WeakPolarHBondContact O-CB 3.14Å; E116-A120 PolarHBondContact O-N 2.91Å; E116-H160 IonicContact OE1-CE1 3.75Å; E116-H160 PolarHBondContact OE1-CE1 3.1Å; E116-H160 VanDerWaalsContact OE1-CE1 3.26Å; E116-H160 IonicContact OE1-NE2 3.86Å; E116-H160 PolarHBondContact OE1-NE2 3.16Å
117S98.2Very high96.8Very high43 Ų4348.6 Ų48.630%0.30126%0.262SS..Hα-helixtrans-60.3-44.7175.6-63.70000111.5V93 Q113 L114 A115 A121V93-S117 WeakPolarHBondContact CG1-O 3.25Å; Q113-S117 VanDerWaalsContact O-CB 3.26Å; Q113-S117 WeakPolarHBondContact O-CB 3.41Å; Q113-S117 PolarHBondContact O-N 3.15Å; Q113-S117 PolarHBondContact O-OG 2.81Å; L114-S117 PolarHBondContact O-N 2.88Å; A115-S117 PolarHBondContact O-N 2.9Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.09Å
118L98.4Very high96.2Very high0 Ų052.4 Ų52.40%030%0.301CS..Hα-helixtrans-63.6-46.6175.7-80.4167.9000111.2L88 V93 V97 I106 V109 L114 A115 E116 A120 A121 V122 L132 L168L88-L118 HydrophobicContact CD2-CD1 4.48Å; L88-L118 HydrophobicContact CD2-CD2 3.95Å; L88-L118 HydrophobicContact CD2-CG 4.48Å; V93-L118 HydrophobicContact CG1-CD2 3.91Å; V93-L118 HydrophobicContact CG1-CG 4.17Å; V93-L118 HydrophobicContact CG2-CD2 4.48Å; V93-L118 HydrophobicContact CG2-CG 4.43Å; V97-L118 HydrophobicContact CG2-CD2 3.81Å; I106-L118 HydrophobicContact CD1-CD1 4.18Å; I106-L118 HydrophobicContact CD1-CD2 3.44Å; I106-L118 VanDerWaalsContact CD1-CD2 3.44Å; I106-L118 HydrophobicContact CD1-CG 4.49Å; V109-L118 HydrophobicContact CG2-CD1 3.7Å; L114-L118 HydrophobicContact CD1-CD1 4.17Å; L114-L118 HydrophobicContact CD1-CG 4.29Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.45Å; L114-L118 PolarHBondContact O-N 3.32Å; A115-L118 PolarHBondContact O-N 2.85Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.16Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.91Å; L118-A121 PolarHBondContact O-N 2.91Å; L118-A121 VanDerWaalsContact O-N 3.15Å; L118-V122 VanDerWaalsContact O-CG2 3.29Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.55Å; L118-L132 HydrophobicContact CD2-CD2 4.17Å; L118-L168 HydrophobicContact CB-CD1 4.18Å; L118-L168 HydrophobicContact CB-CD2 4.17Å
119N98.2Very high95.7Very high29 Ų2955.5 Ų55.516%0.15532%0.32CS..Hα-helixtrans-58.2-45.9178.7-179.562.8000112A115 E116 A121 V122 G123 C165 N166 N167 L168A115-N119 WeakPolarHBondContact O-CB 3.27Å; A115-N119 PolarHBondContact O-N 2.73Å; E116-N119 PolarHBondContact O-N 3.49Å; N119-A121 VanDerWaalsContact C-N 3.35Å; N119-V122 PolarHBondContact O-N 2.71Å; N119-G123 PolarHBondContact O-N 3.25Å; N119-C165 HydrophobicContact CB-CB 3.85Å; N119-C165 VanDerWaalsContact CG-CA 3.49Å; N119-C165 VanDerWaalsContact OD1-CA 3.3Å; N119-C165 WeakPolarHBondContact OD1-CA 3.45Å; N119-N166 PolarHBondContact OD1-N 2.87Å; N119-N167 PolarHBondContact O-ND2 3.22Å; N119-N167 VanDerWaalsContact OD1-CB 3.29Å; N119-N167 WeakPolarHBondContact OD1-CB 3.48Å; N119-N167 PolarHBondContact OD1-N 2.87Å; N119-N167 PolarHBondContact OD1-ND2 2.72Å; N119-L168 HydrophobicContact CB-CD1 4.17Å; N119-L168 HydrophobicContact CB-CG 4.06Å
120A97.5Very high95.5Very high50 Ų5062.9 Ų62.941%0.41335%0.348SS..Hα-helixtrans-64.6-39.2176.300000111.8E116 L118 G123 R124E116-A120 WeakPolarHBondContact O-CB 3.14Å; E116-A120 PolarHBondContact O-N 2.91Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.91Å; A120-G123 PolarHBondContact O-N 3.05Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.48Å
121A97.5Very high95.5Very high5 Ų566.5 Ų66.54%0.04136%0.362CS..Hα-helixtrans-68.1-41.3177.900000113.2V93 V97 S117 L118 N119 G123 R124V93-A121 HydrophobicContact CG1-CB 3.76Å; V97-A121 HydrophobicContact CB-CB 3.93Å; V97-A121 HydrophobicContact CG1-CB 3.97Å; V97-A121 HydrophobicContact CG2-CB 3.98Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.09Å; L118-A121 PolarHBondContact O-N 2.91Å; L118-A121 VanDerWaalsContact O-N 3.15Å; N119-A121 VanDerWaalsContact C-N 3.35Å; A121-G123 VanDerWaalsContact C-N 3.32Å; A121-R124 VanDerWaalsContact CA-NH2 3.33Å; A121-R124 PolarHBondContact O-N 2.75Å
122V97.3Very high95.5Very high8 Ų865.2 Ų65.25%0.04835%0.353CS..Hα-helixtrans-68.2-35.9176.8179.20000110.3V97 L118 N119 R124 R125 L132 N167 L168V97-V122 HydrophobicContact CG1-CB 4.4Å; V97-V122 HydrophobicContact CG1-CG2 3.76Å; V97-V122 HydrophobicContact CG2-CG2 4.28Å; L118-V122 VanDerWaalsContact O-CG2 3.29Å; L118-V122 WeakPolarHBondContact O-CG2 3.44Å; L118-V122 PolarHBondContact O-N 2.55Å; N119-V122 PolarHBondContact O-N 2.71Å; V122-R124 PolarHBondContact O-N 2.97Å; V122-R124 VanDerWaalsContact O-N 3.13Å; V122-R125 VanDerWaalsContact O-CB 3.25Å; V122-R125 WeakPolarHBondContact O-CB 3.35Å; V122-R125 WeakPolarHBondContact O-CG 3.5Å; V122-R125 PolarHBondContact O-N 3.18Å; V122-L132 HydrophobicContact CG1-CB 4.4Å; V122-L132 HydrophobicContact CG2-CB 3.73Å; V122-L132 HydrophobicContact CG2-CD2 3.79Å; V122-L132 HydrophobicContact CG2-CG 4.43Å; V122-N167 HydrophobicContact CB-CB 3.86Å; V122-N167 HydrophobicContact CG1-CB 3.79Å; V122-L168 HydrophobicContact CG2-CD2 4.16Å
123G96.4Very high95.6Very high42 Ų4263 Ų6343%0.43334%0.34SS..THydrogen-bonded Turntrans-64.3-12.8176.500000115.4N119 A120 A121 N167N119-G123 PolarHBondContact O-N 3.25Å; A120-G123 PolarHBondContact O-N 3.05Å; A121-G123 VanDerWaalsContact C-N 3.32Å; G123-N167 WeakPolarHBondContact CA-ND2 3.26Å; G123-N167 PolarHBondContact N-ND2 3.2Å
124R95.8Very high95.6Very high152 Ų15257 Ų5757%0.57431%0.311SS*.THydrogen-bonded Turntrans-88.7-4.4172-66.1-172.9-59.7-93.61.3113.5N94 A120 A121 V122N94-R124 PolarHBondContact OD1-NH2 2.82Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.48Å; A121-R124 VanDerWaalsContact CA-NH2 3.33Å; A121-R124 PolarHBondContact O-N 2.75Å; V122-R124 PolarHBondContact O-N 2.97Å; V122-R124 VanDerWaalsContact O-N 3.13Å
125R93.7Very high95.7Very high56 Ų5656.9 Ų56.921%0.21131%0.311CS..SBendtrans-72.5158.2171.6-64.2-176.9174.6173.3-9.3109.6V97 V122 T129V97-R125 PolarHBondContact O-NE 2.9Å; V97-R125 VanDerWaalsContact O-NE 3.11Å; V97-R125 PolarHBondContact O-NH2 3.25Å; V122-R125 VanDerWaalsContact O-CB 3.25Å; V122-R125 WeakPolarHBondContact O-CB 3.35Å; V122-R125 WeakPolarHBondContact O-CG 3.5Å; V122-R125 PolarHBondContact O-N 3.18Å; R125-T129 HydrophobicContact CB-CG2 4.17Å
126P92Very high95.7Very high104 Ų10456.9 Ų56.968%0.67531%0.311SS*.PPolyproline II helixtrans-51.9145.8176.7-27.335.6000112.7T129P126-T129 VanDerWaalsContact O-CB 3.26Å; P126-T129 WeakPolarHBondContact O-CB 3.38Å; P126-T129 PolarHBondContact O-N 2.91Å; P126-T129 VanDerWaalsContact O-N 3.15Å; P126-T129 PolarHBondContact O-OG1 3.43Å
127E88Confident95.7Very high202 Ų20253 Ų5394%0.94429%0.293SS*.THydrogen-bonded Turntrans-55.7144.9176.6-168.5174.8-176.100111.2T129E127-T129 PolarHBondContact O-N 3.49Å
128G85Confident95.7Very high80 Ų8051 Ų5183%0.82528%0.279SS*.THydrogen-bonded Turntrans79.7-3.6-174.600000114.7R130G128-R130 PolarHBondContact O-N 2.88Å
129T88.9Confident95.5Very high64 Ų6451.9 Ų51.939%0.39328%0.283SS..PPolyproline II helixtrans-61.2135.5171.1-58.50000110.4R125 P126 E127 K131R125-T129 HydrophobicContact CB-CG2 4.17Å; P126-T129 VanDerWaalsContact O-CB 3.26Å; P126-T129 WeakPolarHBondContact O-CB 3.38Å; P126-T129 PolarHBondContact O-N 2.91Å; P126-T129 VanDerWaalsContact O-N 3.15Å; P126-T129 PolarHBondContact O-OG1 3.43Å; E127-T129 PolarHBondContact O-N 3.49Å; T129-K131 PolarHBondContact O-N 3.48Å
130R93Very high95.3Very high156 Ų15651.4 Ų51.459%0.58928%0.281SS*.PPolyproline II helixtrans-55.2137.3176.8-173.6-171167150.72.7111G128 N133G128-R130 PolarHBondContact O-N 2.88Å; R130-N133 PolarHBondContact NH2-ND2 3.31Å
131K97.4Very high94.7Very high106 Ų10649.8 Ų49.846%0.46127%0.267SS..PPolyproline II helixtrans-52.3140.8168.9-60.5-168.5-175.7-158.60111.2T129 N133 N166 N167 N169T129-K131 PolarHBondContact O-N 3.48Å; K131-N133 PolarHBondContact O-N 3.45Å; K131-N166 VanDerWaalsContact CD-O 3.31Å; K131-N166 WeakPolarHBondContact CD-O 3.32Å; K131-N166 WeakPolarHBondContact CE-O 3.38Å; K131-N166 PolarHBondContact NZ-O 2.99Å; K131-N167 VanDerWaalsContact CA-O 3.28Å; K131-N167 WeakPolarHBondContact CA-O 3.29Å; K131-N167 WeakPolarHBondContact CB-O 3.31Å; K131-N169 HydrophobicContact CB-CB 4.01Å
132L98.3Very high93.9Very high3 Ų355.7 Ų55.72%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-75.8124.3176.5177.261.1000109.6L103 I106 L118 V122 V134 N167 L168 N169L103-L132 HydrophobicContact CD2-CD1 3.84Å; L103-L132 HydrophobicContact CD2-CD2 4.31Å; L103-L132 HydrophobicContact CG-CD1 3.84Å; I106-L132 HydrophobicContact CD1-CD2 3.81Å; I106-L132 HydrophobicContact CG1-CD2 4.23Å; L118-L132 HydrophobicContact CD2-CD2 4.17Å; V122-L132 HydrophobicContact CG1-CB 4.4Å; V122-L132 HydrophobicContact CG2-CB 3.73Å; V122-L132 HydrophobicContact CG2-CD2 3.79Å; V122-L132 HydrophobicContact CG2-CG 4.43Å; L132-V134 HydrophobicContact CG-CG1 4.29Å; L132-N167 PolarHBondContact N-O 3.24Å; L132-L168 HydrophobicContact CB-CD2 4Å; L132-L168 HydrophobicContact CD2-CD2 4.35Å; L132-L168 WeakPolarHBondContact O-CA 3.42Å; L132-N169 PolarHBondContact O-N 3.48Å
133N98.8Very high93.1Very high5 Ų558.4 Ų58.43%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-69.2134.2172.7-58-48.6000109.7Y104 M105 I106 R130 K131 N169 V171Y104-N133 WeakPolarHBondContact O-CB 3.49Å; Y104-N133 PolarHBondContact O-ND2 3.37Å; M105-N133 VanDerWaalsContact CA-O 3.31Å; M105-N133 WeakPolarHBondContact CA-O 3.38Å; M105-N133 HydrophobicContact CB-CB 4.19Å; M105-N133 HydrophobicContact CE-CB 3.86Å; M105-N133 HydrophobicContact CG-CB 4.07Å; I106-N133 PolarHBondContact N-O 3.21Å; I106-N133 VanDerWaalsContact N-O 3.07Å; R130-N133 PolarHBondContact NH2-ND2 3.31Å; K131-N133 PolarHBondContact O-N 3.45Å; N133-N169 CarbonylContact C-O 3.57Å; N133-N169 WeakPolarHBondContact CA-O 3.19Å; N133-N169 PolarHBondContact OD1-ND2 3.16Å; N133-V171 HydrophobicContact CB-CG2 3.67Å
134V98.8Very high92Very high0 Ų065.6 Ų65.60%033%0.332CS..EExtended strand (participates in β ladder)trans-131.5145.5176.2-62.60000111.1I106 V109 L132 I161 L168 N169 V171I106-V134 CarbonylContact O-C 3.58Å; I106-V134 VanDerWaalsContact O-CA 3.26Å; I106-V134 WeakPolarHBondContact O-CA 3.5Å; V109-V134 HydrophobicContact CG2-CB 3.94Å; V109-V134 HydrophobicContact CG2-CG1 4.06Å; L132-V134 HydrophobicContact CG-CG1 4.29Å; V134-I161 HydrophobicContact CG2-CG2 4.18Å; V134-L168 HydrophobicContact CG1-CD1 4.32Å; V134-L168 HydrophobicContact CG1-CD2 4.17Å; V134-L168 HydrophobicContact CG2-CB 4.22Å; V134-L168 HydrophobicContact CG2-CD1 4.44Å; V134-N169 PolarHBondContact N-O 3.33Å; V134-V171 PolarHBondContact O-N 3.45Å
135M98.9Very high90.8Very high0 Ų067.7 Ų67.70%035%0.348CS..EExtended strand (participates in β ladder)trans-113.3150.5162.6-58.4-179164.900110.2M105 I106 E107 V109 V171 G172 M174 E215 S217M105-M135 HydrophobicContact CE-CE 4.06Å; M105-M135 HydrophobicContact SD-CE 3.63Å; M105-M135 HydrophobicContact SD-CG 3.89Å; M105-M135 HydrophobicContact SD-SD 3.93Å; I106-M135 PolarHBondContact O-N 2.68Å; E107-M135 CarbonylContact C-O 3.47Å; E107-M135 HydrophobicContact CB-CB 4.35Å; E107-M135 HydrophobicContact CB-SD 4.38Å; E107-M135 HydrophobicContact CG-CG 4.35Å; E107-M135 HydrophobicContact CG-SD 3.91Å; V109-M135 WeakPolarHBondContact CB-O 3.38Å; V109-M135 PolarHBondContact N-O 2.77Å; V109-M135 VanDerWaalsContact N-O 3.14Å; M135-V171 HydrophobicContact CE-CG1 4.09Å; M135-G172 CarbonylContact C-O 3.57Å; M135-G172 WeakPolarHBondContact CA-O 3.32Å; M135-G172 VanDerWaalsContact CB-O 3.29Å; M135-G172 WeakPolarHBondContact CB-O 3.21Å; M135-M174 HydrophobicContact CB-CB 4.25Å; M135-M174 HydrophobicContact SD-CB 4.36Å; M135-E215 HydrophobicContact CE-CB 3.77Å; M135-S217 WeakPolarHBondContact SD-CB 3.23Å
136V98.7Very high90Very high0 Ų067.6 Ų67.60%035%0.35CS..EExtended strand (participates in β ladder)trans-88121.1172.21700000109V109 V138 I149 L157 I161 F170 G172 F173 M174V109-V136 CarbonylContact O-C 3.55Å; V109-V136 WeakPolarHBondContact O-CA 3.45Å; V136-V138 HydrophobicContact CG1-CG2 4.35Å; V136-I149 HydrophobicContact CG1-CG2 3.72Å; V136-L157 HydrophobicContact CG1-CD2 3.85Å; V136-L157 HydrophobicContact CG2-CD2 4.07Å; V136-L157 HydrophobicContact CG2-CG 4.18Å; V136-I161 HydrophobicContact CG2-CD1 3.66Å; V136-F170 HydrophobicContact CB-CE2 4.32Å; V136-F170 HydrophobicContact CG2-CD2 4.2Å; V136-F170 HydrophobicContact CG2-CE2 3.93Å; V136-G172 PolarHBondContact N-O 3Å; V136-F173 HydrophobicContact CB-CD1 3.79Å; V136-F173 HydrophobicContact CB-CE1 3.98Å; V136-F173 HydrophobicContact CG1-CD1 4.09Å; V136-F173 HydrophobicContact CG1-CE1 4.16Å; V136-F173 CarbonylContact O-C 3.56Å; V136-F173 WeakPolarHBondContact O-CA 3.48Å; V136-M174 PolarHBondContact O-N 2.94Å
137Q98.3Very high89.6Confident9 Ų965 Ų654%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-82122.4174.4177.4173.8-2000110.1T108 V109 S147 G148 I149 M174T108-Q137 VanDerWaalsContact CB-OE1 3.32Å; V109-Q137 PolarHBondContact O-N 3.36Å; Q137-S147 PolarHBondContact NE2-O 3.13Å; Q137-G148 CarbonylContact O-C 3.57Å; Q137-G148 VanDerWaalsContact O-CA 3.23Å; Q137-G148 WeakPolarHBondContact O-CA 3.46Å; Q137-I149 WeakPolarHBondContact O-CG2 3.47Å; Q137-I149 PolarHBondContact O-N 2.8Å; Q137-M174 CarbonylContact C-O 3.5Å; Q137-M174 VanDerWaalsContact CA-O 3.29Å; Q137-M174 WeakPolarHBondContact CA-O 3.31Å; Q137-M174 HydrophobicContact CB-CE 4.04Å; Q137-M174 HydrophobicContact CG-CE 3.81Å; Q137-M174 HydrophobicContact CG-SD 4.27Å
138V98.1Very high89.8Confident1 Ų156.3 Ų56.31%0.00630%0.299CS..BIsolated β-bridgetrans-106.1128.3179.6-175.30000109.4V136 T140 I149 P151 A154 F173 M174 T175 L196 V199V136-V138 HydrophobicContact CG1-CG2 4.35Å; V138-T140 HydrophobicContact CB-CG2 4.3Å; V138-T140 HydrophobicContact CG1-CG2 3.97Å; V138-T140 PolarHBondContact O-N 2.66Å; V138-T140 VanDerWaalsContact O-N 3.12Å; V138-I149 WeakPolarHBondContact CA-O 3.36Å; V138-I149 HydrophobicContact CG2-CG2 4.41Å; V138-P151 HydrophobicContact CG1-CB 4.07Å; V138-P151 HydrophobicContact CG1-CG 3.79Å; V138-A154 HydrophobicContact CG2-CB 3.9Å; V138-F173 HydrophobicContact CG2-CB 4.5Å; V138-F173 HydrophobicContact CG2-CD1 3.85Å; V138-M174 PolarHBondContact N-O 2.97Å; V138-T175 PolarHBondContact O-OG1 3.37Å; V138-L196 HydrophobicContact CB-CD1 3.83Å; V138-L196 HydrophobicContact CG2-CD1 3.88Å; V138-V199 HydrophobicContact CG1-CG2 4.43Å; V138-V199 HydrophobicContact CG2-CG1 4.37Å
139N95.7Very high90.3Very high18 Ų1853.5 Ų53.510%0.09626%0.264CS..  trans-80.384.7170.7-175.21.7000109.3S141 D142 E143 K146 I149 P151N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact OD1-N 3.23Å; N139-S141 PolarHBondContact OD1-OG 3.31Å; N139-D142 PolarHBondContact OD1-N 3.46Å; N139-E143 PolarHBondContact ND2-O 3.17Å; N139-K146 PolarHBondContact ND2-O 3.28Å; N139-I149 PolarHBondContact N-O 2.8Å; N139-P151 WeakPolarHBondContact O-CD 2.92Å
140T93.7Very high90.7Very high18 Ų1857.9 Ų57.911%0.1127%0.274CS..THydrogen-bonded Turntrans-75.4-20-179.257.90000113V138 T175 D192 C195 L196V138-T140 HydrophobicContact CB-CG2 4.3Å; V138-T140 HydrophobicContact CG1-CG2 3.97Å; V138-T140 PolarHBondContact O-N 2.66Å; V138-T140 VanDerWaalsContact O-N 3.12Å; T140-T175 HydrophobicContact CG2-CG2 4.16Å; T140-T175 WeakPolarHBondContact CG2-OG1 3.37Å; T140-T175 PolarHBondContact OG1-OG1 3.06Å; T140-D192 VanDerWaalsContact C-OD1 3.25Å; T140-D192 WeakPolarHBondContact CB-OD1 3.26Å; T140-D192 WeakPolarHBondContact CG2-O 3.47Å; T140-D192 VanDerWaalsContact OG1-CB 3.25Å; T140-D192 WeakPolarHBondContact OG1-CB 3.45Å; T140-D192 PolarHBondContact OG1-OD1 3.24Å; T140-C195 HydrophobicContact CG2-CB 3.93Å; T140-L196 HydrophobicContact CG2-CB 4.25Å; T140-L196 HydrophobicContact CG2-CD1 4.23Å
141S85.5Confident90.8Very high16 Ų1652.4 Ų52.411%0.11226%0.258CS..THydrogen-bonded Turntrans-85.1-7.5-176.347.80000114.6N139 E143 K146 D192N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact OD1-N 3.23Å; N139-S141 PolarHBondContact OD1-OG 3.31Å; S141-E143 PolarHBondContact O-N 2.67Å; S141-K146 WeakPolarHBondContact OG-CD 3.06Å; S141-K146 PolarHBondContact OG-NZ 2.96Å; S141-K146 VanDerWaalsContact OG-NZ 3.13Å; S141-D192 VanDerWaalsContact CA-OD1 3.32Å; S141-D192 WeakPolarHBondContact CA-OD1 3.45Å; S141-D192 PolarHBondContact N-OD1 2.85Å
142D80.4Confident90.7Very high129 Ų12951.9 Ų51.969%0.6927%0.268SS*.  trans52.725-174.6-155.330.9000113.9N139 E144N139-D142 PolarHBondContact OD1-N 3.46Å; D142-E144 PolarHBondContact O-N 3.43Å
143E78.9Confident90.7Very high65 Ų6555.4 Ų55.430%0.30429%0.285SS..  trans-83.7111.5175.7-69.8-178.164.800108.4N139 S141 Q145 K146 R178N139-E143 PolarHBondContact ND2-O 3.17Å; S141-E143 PolarHBondContact O-N 2.67Å; E143-Q145 PolarHBondContact O-N 3.12Å; E143-K146 HydrophobicContact CB-CB 4.35Å; E143-K146 HydrophobicContact CB-CD 4.07Å; E143-K146 HydrophobicContact CB-CG 4.01Å; E143-K146 VanDerWaalsContact CD-CE 3.44Å; E143-K146 PolarHBondContact O-N 2.64Å; E143-K146 WeakPolarHBondContact OE2-CE 3.26Å; E143-K146 IonicContact OE2-NZ 3.74Å; E143-K146 PolarHBondContact OE2-NZ 3.44Å; E143-R178 VanDerWaalsContact OE2-CG 3.26Å; E143-R178 WeakPolarHBondContact OE2-CG 3.5Å; E143-R178 IonicContact OE2-NE 3.93Å; E143-R178 PolarHBondContact OE2-NE 2.88Å
144E74.2Confident90.6Very high193 Ų19355.2 Ų55.290%0.90228%0.284SS*.THydrogen-bonded Turntrans-53.4-27.9-177.8-66.8-170.9158.900113.7D142 K146D142-E144 PolarHBondContact O-N 3.43Å; E144-K146 VanDerWaalsContact C-N 3.35Å
145Q70.9Confident90.5Very high196 Ų19656.2 Ų56.292%0.91629%0.29SS*.THydrogen-bonded Turntrans-82.4-9.8-178.8-58.2-144.311.300114.2E143E143-Q145 PolarHBondContact O-N 3.12Å
146K76.1Confident90.5Very high55 Ų5562.1 Ų62.124%0.23932%0.319CS..SBendtrans-90.6140179.1-73.5-173.8-174.8166.90111.3N139 S141 E143 E144 G177N139-K146 PolarHBondContact ND2-O 3.28Å; S141-K146 WeakPolarHBondContact OG-CD 3.06Å; S141-K146 PolarHBondContact OG-NZ 2.96Å; S141-K146 VanDerWaalsContact OG-NZ 3.13Å; E143-K146 HydrophobicContact CB-CB 4.35Å; E143-K146 HydrophobicContact CB-CD 4.07Å; E143-K146 HydrophobicContact CB-CG 4.01Å; E143-K146 VanDerWaalsContact CD-CE 3.44Å; E143-K146 PolarHBondContact O-N 2.64Å; E143-K146 WeakPolarHBondContact OE2-CE 3.26Å; E143-K146 IonicContact OE2-NZ 3.74Å; E143-K146 PolarHBondContact OE2-NZ 3.44Å; E144-K146 VanDerWaalsContact C-N 3.35Å; K146-G177 PolarHBondContact NZ-O 3.45Å
147S84.4Confident90.5Very high49 Ų4962.3 Ų62.334%0.34332%0.32SS..  trans-63.9153.7170.9-490000111.3Q137Q137-S147 PolarHBondContact NE2-O 3.13Å
148G92.4Very high90.5Very high20 Ų2061.9 Ų61.921%0.20632%0.318CS..SBendtrans125.4153.2179.400000112.6Q137Q137-G148 CarbonylContact O-C 3.57Å; Q137-G148 VanDerWaalsContact O-CA 3.23Å; Q137-G148 WeakPolarHBondContact O-CA 3.46Å
149I95.6Very high90.4Very high20 Ų2063.8 Ų63.810%0.10334%0.335CS..BIsolated β-bridgetrans-79153175.4-162.1166.5000110.5D110 V136 Q137 V138 N139 E153 A154 L157D110-I149 WeakPolarHBondContact O-CB 3.33Å; V136-I149 HydrophobicContact CG1-CG2 3.72Å; Q137-I149 WeakPolarHBondContact O-CG2 3.47Å; Q137-I149 PolarHBondContact O-N 2.8Å; V138-I149 WeakPolarHBondContact CA-O 3.36Å; V138-I149 HydrophobicContact CG2-CG2 4.41Å; N139-I149 PolarHBondContact N-O 2.8Å; I149-E153 HydrophobicContact CD1-CB 3.7Å; I149-E153 HydrophobicContact CG1-CB 3.73Å; I149-A154 HydrophobicContact CG2-CB 3.95Å; I149-L157 HydrophobicContact CB-CD2 4.5Å; I149-L157 HydrophobicContact CD1-CB 3.63Å; I149-L157 HydrophobicContact CD1-CD2 3.69Å; I149-L157 HydrophobicContact CD1-CG 4.27Å; I149-L157 HydrophobicContact CG2-CD2 4.46Å
150R95.9Very high90.5Very high156 Ų15664.8 Ų64.859%0.58934%0.339SS*.  trans-60.8142.9172.7-68.3177.9171.2-178.5-2.8110.3S152 E153 A154R150-S152 PolarHBondContact O-N 3.45Å; R150-S152 VanDerWaalsContact O-N 3.15Å; R150-E153 HydrophobicContact CB-CB 4.49Å; R150-E153 HydrophobicContact CB-CG 4.27Å; R150-E153 PolarHBondContact O-N 2.93Å; R150-A154 PolarHBondContact O-N 3.11Å
151P96.4Very high90.8Very high41 Ų4164 Ų6427%0.26633%0.334SS..G310 helixtrans-51.8-39.2177.3-27.734.5000113.4V138 N139 E153 A154 V199V138-P151 HydrophobicContact CG1-CB 4.07Å; V138-P151 HydrophobicContact CG1-CG 3.79Å; N139-P151 WeakPolarHBondContact O-CD 2.92Å; P151-E153 PolarHBondContact O-N 2.95Å; P151-A154 PolarHBondContact O-N 2.69Å; P151-V199 HydrophobicContact CB-CG2 3.82Å
152S95.6Very high91.3Very high96 Ų9669.2 Ų69.267%0.67135%0.351SS*.G310 helixtrans-65.4-21178.556.90000114.6R150R150-S152 PolarHBondContact O-N 3.45Å; R150-S152 VanDerWaalsContact O-N 3.15Å
153E96.8Very high92.1Very high77 Ų7767 Ų6736%0.3635%0.345SS..G310 helixtrans-105.3-10.6-176-62.7176.4143.200112.4I149 R150 P151 C155 M156 L157I149-E153 HydrophobicContact CD1-CB 3.7Å; I149-E153 HydrophobicContact CG1-CB 3.73Å; R150-E153 HydrophobicContact CB-CB 4.49Å; R150-E153 HydrophobicContact CB-CG 4.27Å; R150-E153 PolarHBondContact O-N 2.93Å; P151-E153 PolarHBondContact O-N 2.95Å; E153-C155 VanDerWaalsContact C-N 3.31Å; E153-C155 PolarHBondContact O-N 3.07Å; E153-M156 HydrophobicContact CB-CE 4.02Å; E153-M156 HydrophobicContact CG-CE 3.83Å; E153-M156 PolarHBondContact O-N 2.93Å; E153-M156 VanDerWaalsContact O-N 3.13Å; E153-L157 PolarHBondContact O-N 2.73Å
154A97.9Very high93Very high0 Ų067.1 Ų67.10%035%0.351CS..Hα-helixtrans-59.6-37.9-177.200000113.2V138 I149 R150 P151 T158 F173 V199V138-A154 HydrophobicContact CG2-CB 3.9Å; I149-A154 HydrophobicContact CG2-CB 3.95Å; R150-A154 PolarHBondContact O-N 3.11Å; P151-A154 PolarHBondContact O-N 2.69Å; A154-T158 WeakPolarHBondContact O-CB 3.46Å; A154-T158 PolarHBondContact O-N 3.48Å; A154-T158 PolarHBondContact O-OG1 2.81Å; A154-F173 HydrophobicContact CB-CE1 3.99Å; A154-V199 HydrophobicContact CB-CG1 3.63Å
155C97.1Very high94.2Very high21 Ų2158 Ų5814%0.14231%0.308CS..Hα-helixtrans-65.8-41.6176.5-66.80000111.7E153 T158 A159 L203E153-C155 VanDerWaalsContact C-N 3.31Å; E153-C155 PolarHBondContact O-N 3.07Å; C155-T158 PolarHBondContact O-N 3.43Å; C155-A159 WeakPolarHBondContact O-CB 3.34Å; C155-A159 PolarHBondContact O-N 3.04Å; C155-L203 HydrophobicContact CB-CD1 4.37Å
156M97.4Very high95.4Very high124 Ų12453.8 Ų53.861%0.61129%0.292SS*.Hα-helixtrans-64.3-45.8177.6-66.7-169.7-71.400111.9E153 T158 A159 H160E153-M156 HydrophobicContact CB-CE 4.02Å; E153-M156 HydrophobicContact CG-CE 3.83Å; E153-M156 PolarHBondContact O-N 2.93Å; E153-M156 VanDerWaalsContact O-N 3.13Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 PolarHBondContact O-N 3.47Å; M156-A159 PolarHBondContact O-N 2.85Å; M156-H160 PolarHBondContact O-N 3.31Å
157L98.4Very high96.4Very high4 Ų453.9 Ų53.92%0.02130%0.295CS..Hα-helixtrans-60.9-42.2175.4175.158.3000111.4V112 A115 V136 I149 E153 A159 H160 I161V112-L157 HydrophobicContact CG2-CD1 3.95Å; A115-L157 HydrophobicContact CB-CD1 4.48Å; V136-L157 HydrophobicContact CG1-CD2 3.85Å; V136-L157 HydrophobicContact CG2-CD2 4.07Å; V136-L157 HydrophobicContact CG2-CG 4.18Å; I149-L157 HydrophobicContact CB-CD2 4.5Å; I149-L157 HydrophobicContact CD1-CB 3.63Å; I149-L157 HydrophobicContact CD1-CD2 3.69Å; I149-L157 HydrophobicContact CD1-CG 4.27Å; I149-L157 HydrophobicContact CG2-CD2 4.46Å; E153-L157 PolarHBondContact O-N 2.73Å; L157-A159 PolarHBondContact O-N 2.86Å; L157-H160 PolarHBondContact O-N 2.9Å; L157-I161 HydrophobicContact CD1-CD1 4.11Å; L157-I161 HydrophobicContact CD1-CG1 4.24Å; L157-I161 HydrophobicContact CG-CD1 4.01Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 3.3Å
158T98.3Very high97.1Very high0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-63.1-43.4177.8-57.90000111.8A154 C155 M156 H160 I161 R162 F170 F173 L203A154-T158 WeakPolarHBondContact O-CB 3.46Å; A154-T158 PolarHBondContact O-N 3.48Å; A154-T158 PolarHBondContact O-OG1 2.81Å; C155-T158 PolarHBondContact O-N 3.43Å; M156-T158 VanDerWaalsContact C-N 3.31Å; M156-T158 PolarHBondContact O-N 3.47Å; T158-H160 VanDerWaalsContact C-N 3.31Å; T158-H160 PolarHBondContact O-N 2.95Å; T158-I161 PolarHBondContact O-N 3.01Å; T158-R162 HydrophobicContact CG2-CG 4.36Å; T158-R162 WeakPolarHBondContact O-CG 3.38Å; T158-R162 PolarHBondContact O-N 3.33Å; T158-F170 HydrophobicContact CG2-CD1 3.75Å; T158-F170 HydrophobicContact CG2-CD2 3.84Å; T158-F170 HydrophobicContact CG2-CE1 3.58Å; T158-F170 HydrophobicContact CG2-CE2 3.67Å; T158-F170 HydrophobicContact CG2-CG 3.87Å; T158-F170 HydrophobicContact CG2-CZ 3.54Å; T158-F173 WeakPolarHBondContact OG1-CE1 3.34Å; T158-L203 HydrophobicContact CG2-CD1 3.62Å; T158-L203 HydrophobicContact CG2-CD2 3.75Å; T158-L203 HydrophobicContact CG2-CG 4.35Å
159A97.1Very high97.4Very high42 Ų4254.2 Ų54.235%0.34729%0.288SS..Hα-helixtrans-60.6-40.8175.500000111.6C155 M156 L157 S163C155-A159 WeakPolarHBondContact O-CB 3.34Å; C155-A159 PolarHBondContact O-N 3.04Å; M156-A159 PolarHBondContact O-N 2.85Å; L157-A159 PolarHBondContact O-N 2.86Å; A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.35Å; A159-S163 PolarHBondContact O-N 2.94Å; A159-S163 PolarHBondContact O-OG 3.39Å
160H98.3Very high97.5Very high39 Ų3954.5 Ų54.518%0.18129%0.289CS..Hα-helixtrans-62.9-48.8174.517890.1000111.9E116 M156 L157 T158 R162 S163 T164E116-H160 IonicContact OE1-CE1 3.75Å; E116-H160 PolarHBondContact OE1-CE1 3.1Å; E116-H160 VanDerWaalsContact OE1-CE1 3.26Å; E116-H160 IonicContact OE1-NE2 3.86Å; E116-H160 PolarHBondContact OE1-NE2 3.16Å; M156-H160 PolarHBondContact O-N 3.31Å; L157-H160 PolarHBondContact O-N 2.9Å; T158-H160 VanDerWaalsContact C-N 3.31Å; T158-H160 PolarHBondContact O-N 2.95Å; H160-R162 PolarHBondContact O-N 2.76Å; H160-S163 PolarHBondContact O-N 2.78Å; H160-S163 PolarHBondContact O-OG 3.37Å; H160-T164 WeakPolarHBondContact O-CB 3.42Å; H160-T164 PolarHBondContact O-N 3.12Å
161I98.4Very high97.6Very high2 Ų247.7 Ų47.71%0.0126%0.264CS..Hα-helixtrans-56.7-49.4177.7-68.5166.5000110.5V109 A115 V134 V136 L157 T158 S163 C165 L168 F170V109-I161 HydrophobicContact CG1-CD1 4.1Å; A115-I161 HydrophobicContact CB-CD1 4.25Å; A115-I161 HydrophobicContact CB-CG1 3.77Å; V134-I161 HydrophobicContact CG2-CG2 4.18Å; V136-I161 HydrophobicContact CG2-CD1 3.66Å; L157-I161 HydrophobicContact CD1-CD1 4.11Å; L157-I161 HydrophobicContact CD1-CG1 4.24Å; L157-I161 HydrophobicContact CG-CD1 4.01Å; L157-I161 WeakPolarHBondContact O-CG1 3.45Å; L157-I161 PolarHBondContact O-N 3.3Å; T158-I161 PolarHBondContact O-N 3.01Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 2.93Å; I161-C165 HydrophobicContact CG2-CB 4.3Å; I161-C165 WeakPolarHBondContact O-CA 3.25Å; I161-C165 VanDerWaalsContact O-CB 3.24Å; I161-C165 WeakPolarHBondContact O-CB 3.36Å; I161-C165 PolarHBondContact O-N 3.37Å; I161-L168 HydrophobicContact CG2-CB 4.33Å; I161-F170 HydrophobicContact CG2-CB 4.1Å
162R97.4Very high97.7Very high125 Ų12545.7 Ų45.747%0.47225%0.252SS..Hα-helixtrans-67.2-32.4-176-69.8178.371.4-1414.7113.5T158 H160 F170 N207T158-R162 HydrophobicContact CG2-CG 4.36Å; T158-R162 WeakPolarHBondContact O-CG 3.38Å; T158-R162 PolarHBondContact O-N 3.33Å; H160-R162 PolarHBondContact O-N 2.76Å; R162-F170 HydrophobicContact CG-CB 4.03Å; R162-F170 HydrophobicContact CG-CG 4.49Å; R162-N207 PolarHBondContact NH1-OD1 3Å
163S97.1Very high97.9Very high81 Ų8141.1 Ų41.157%0.56622%0.22SC*.Hα-helixtrans-90.6-31.5-175.959.40000113.9A159 H160 I161A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.35Å; A159-S163 PolarHBondContact O-N 2.94Å; A159-S163 PolarHBondContact O-OG 3.39Å; H160-S163 PolarHBondContact O-N 2.78Å; H160-S163 PolarHBondContact O-OG 3.37Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 2.93Å
164T97.9Very high98Very high68 Ų6837.5 Ų37.542%0.41720%0.203SC..Hα-helixtrans-116-29.8-169-54.40000112.7H160 N166H160-T164 WeakPolarHBondContact O-CB 3.42Å; H160-T164 PolarHBondContact O-N 3.12Å; T164-N166 PolarHBondContact O-N 3.41Å
165C98.1Very high97.9Very high2 Ų237.5 Ų37.51%0.01420%0.203CC..  trans-93.471.8-175.3-63.70000112.6N119 I161 N167 L168N119-C165 HydrophobicContact CB-CB 3.85Å; N119-C165 VanDerWaalsContact CG-CA 3.49Å; N119-C165 VanDerWaalsContact OD1-CA 3.3Å; N119-C165 WeakPolarHBondContact OD1-CA 3.45Å; I161-C165 HydrophobicContact CG2-CB 4.3Å; I161-C165 WeakPolarHBondContact O-CA 3.25Å; I161-C165 VanDerWaalsContact O-CB 3.24Å; I161-C165 WeakPolarHBondContact O-CB 3.36Å; I161-C165 PolarHBondContact O-N 3.37Å; C165-N167 PolarHBondContact O-N 3.13Å; C165-N167 VanDerWaalsContact O-N 3.1Å; C165-L168 HydrophobicContact CB-CB 4Å; C165-L168 HydrophobicContact CB-CD1 3.79Å; C165-L168 HydrophobicContact CB-CG 3.9Å; C165-L168 PolarHBondContact O-N 2.99Å
166N96.8Very high97.7Very high107 Ų10739.6 Ų39.657%0.57221%0.212SC*.THydrogen-bonded Turntrans-60.2-23-174.7-69.1-36.7000115.6N119 K131 T164N119-N166 PolarHBondContact OD1-N 2.87Å; K131-N166 VanDerWaalsContact CD-O 3.31Å; K131-N166 WeakPolarHBondContact CD-O 3.32Å; K131-N166 WeakPolarHBondContact CE-O 3.38Å; K131-N166 PolarHBondContact NZ-O 2.99Å; T164-N166 PolarHBondContact O-N 3.41Å
167N97.8Very high97.2Very high58 Ų5834 Ų3431%0.3119%0.186SC..THydrogen-bonded Turntrans-89.1-4.7177.6-57.3-48.1000113.1N119 V122 G123 K131 L132 C165N119-N167 PolarHBondContact O-ND2 3.22Å; N119-N167 VanDerWaalsContact OD1-CB 3.29Å; N119-N167 WeakPolarHBondContact OD1-CB 3.48Å; N119-N167 PolarHBondContact OD1-N 2.87Å; N119-N167 PolarHBondContact OD1-ND2 2.72Å; V122-N167 HydrophobicContact CB-CB 3.86Å; V122-N167 HydrophobicContact CG1-CB 3.79Å; G123-N167 WeakPolarHBondContact CA-ND2 3.26Å; G123-N167 PolarHBondContact N-ND2 3.2Å; K131-N167 VanDerWaalsContact CA-O 3.28Å; K131-N167 WeakPolarHBondContact CA-O 3.29Å; K131-N167 WeakPolarHBondContact CB-O 3.31Å; L132-N167 PolarHBondContact N-O 3.24Å; C165-N167 PolarHBondContact O-N 3.13Å; C165-N167 VanDerWaalsContact O-N 3.1Å
168L98.5Very high96.4Very high8 Ų837.7 Ų37.74%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-104.6150.1177.1-55.5-173.2000110.4A115 L118 N119 V122 L132 V134 I161 C165A115-L168 WeakPolarHBondContact O-CD1 3.37Å; L118-L168 HydrophobicContact CB-CD1 4.18Å; L118-L168 HydrophobicContact CB-CD2 4.17Å; N119-L168 HydrophobicContact CB-CD1 4.17Å; N119-L168 HydrophobicContact CB-CG 4.06Å; V122-L168 HydrophobicContact CG2-CD2 4.16Å; L132-L168 HydrophobicContact CB-CD2 4Å; L132-L168 HydrophobicContact CD2-CD2 4.35Å; L132-L168 WeakPolarHBondContact O-CA 3.42Å; V134-L168 HydrophobicContact CG1-CD1 4.32Å; V134-L168 HydrophobicContact CG1-CD2 4.17Å; V134-L168 HydrophobicContact CG2-CB 4.22Å; V134-L168 HydrophobicContact CG2-CD1 4.44Å; I161-L168 HydrophobicContact CG2-CB 4.33Å; C165-L168 HydrophobicContact CB-CB 4Å; C165-L168 HydrophobicContact CB-CD1 3.79Å; C165-L168 HydrophobicContact CB-CG 3.9Å; C165-L168 PolarHBondContact O-N 2.99Å
169N98.4Very high95.5Very high68 Ų6844.3 Ų44.336%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-118.9105.7170.8179.248.1000107.9K131 L132 N133 V134 V171K131-N169 HydrophobicContact CB-CB 4.01Å; L132-N169 PolarHBondContact O-N 3.48Å; N133-N169 CarbonylContact C-O 3.57Å; N133-N169 WeakPolarHBondContact CA-O 3.19Å; N133-N169 PolarHBondContact OD1-ND2 3.16Å; V134-N169 PolarHBondContact N-O 3.33Å; N169-V171 WeakPolarHBondContact ND2-CG2 3.49Å; N169-V171 PolarHBondContact O-N 3.06Å
170F98.6Very high94.6Very high26 Ų2646.1 Ų46.111%0.11424%0.238CC..EExtended strand (participates in β ladder)trans-65.4124.1171.5172.1-99.8000109.4V136 T158 I161 R162 G172 F173 L203 V214V136-F170 HydrophobicContact CB-CE2 4.32Å; V136-F170 HydrophobicContact CG2-CD2 4.2Å; V136-F170 HydrophobicContact CG2-CE2 3.93Å; T158-F170 HydrophobicContact CG2-CD1 3.75Å; T158-F170 HydrophobicContact CG2-CD2 3.84Å; T158-F170 HydrophobicContact CG2-CE1 3.58Å; T158-F170 HydrophobicContact CG2-CE2 3.67Å; T158-F170 HydrophobicContact CG2-CG 3.87Å; T158-F170 HydrophobicContact CG2-CZ 3.54Å; I161-F170 HydrophobicContact CG2-CB 4.1Å; R162-F170 HydrophobicContact CG-CB 4.03Å; R162-F170 HydrophobicContact CG-CG 4.49Å; F170-G172 WeakPolarHBondContact CE2-O 3.37Å; F170-F173 HydrophobicContact CE2-CE1 4.27Å; F170-F173 HydrophobicContact CE2-CZ 4.44Å; F170-F173 HydrophobicContact CZ-CD2 4.33Å; F170-F173 HydrophobicContact CZ-CE1 4.14Å; F170-F173 AromaticContact CZ-CE2 3.97Å; F170-F173 HydrophobicContact CZ-CE2 3.97Å; F170-F173 AromaticContact CZ-CZ 3.88Å; F170-F173 HydrophobicContact CZ-CZ 3.88Å; F170-L203 HydrophobicContact CE1-CD2 3.75Å; F170-L203 HydrophobicContact CZ-CD2 3.94Å; F170-V214 HydrophobicContact CE1-CG1 4.06Å; F170-V214 HydrophobicContact CZ-CG1 4.18Å
171V98.4Very high93.7Very high12 Ų1245.5 Ų45.57%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-109.9-29-178.4174.90000112.3M105 N133 V134 M135 N169 E215M105-V171 HydrophobicContact CE-CB 4.05Å; M105-V171 HydrophobicContact CE-CG1 3.75Å; M105-V171 HydrophobicContact CE-CG2 4.13Å; N133-V171 HydrophobicContact CB-CG2 3.67Å; V134-V171 PolarHBondContact O-N 3.45Å; M135-V171 HydrophobicContact CE-CG1 4.09Å; N169-V171 WeakPolarHBondContact ND2-CG2 3.49Å; N169-V171 PolarHBondContact O-N 3.06Å; V171-E215 HydrophobicContact CG1-CB 3.94Å; V171-E215 HydrophobicContact CG1-CG 3.72Å; V171-E215 WeakPolarHBondContact CG1-OE1 3.46Å; V171-E215 WeakPolarHBondContact O-CB 3.4Å; V171-E215 PolarHBondContact O-N 3.44Å
172G98.6Very high92.7Very high0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans168.4-167-171.400000115.6M135 V136 F170 E215M135-G172 CarbonylContact C-O 3.57Å; M135-G172 WeakPolarHBondContact CA-O 3.32Å; M135-G172 VanDerWaalsContact CB-O 3.29Å; M135-G172 WeakPolarHBondContact CB-O 3.21Å; V136-G172 PolarHBondContact N-O 3Å; F170-G172 WeakPolarHBondContact CE2-O 3.37Å; G172-E215 CarbonylContact C-O 3.43Å; G172-E215 WeakPolarHBondContact CA-O 3.37Å
173F98.7Very high91.2Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-112.9146.5177.6-63-73.8000111.3V136 V138 A154 T158 F170 L196 V199 R200 L203 V214 E215 L216 S217V136-F173 HydrophobicContact CB-CD1 3.79Å; V136-F173 HydrophobicContact CB-CE1 3.98Å; V136-F173 HydrophobicContact CG1-CD1 4.09Å; V136-F173 HydrophobicContact CG1-CE1 4.16Å; V136-F173 CarbonylContact O-C 3.56Å; V136-F173 WeakPolarHBondContact O-CA 3.48Å; V138-F173 HydrophobicContact CG2-CB 4.5Å; V138-F173 HydrophobicContact CG2-CD1 3.85Å; A154-F173 HydrophobicContact CB-CE1 3.99Å; T158-F173 WeakPolarHBondContact OG1-CE1 3.34Å; F170-F173 HydrophobicContact CE2-CE1 4.27Å; F170-F173 HydrophobicContact CE2-CZ 4.44Å; F170-F173 HydrophobicContact CZ-CD2 4.33Å; F170-F173 HydrophobicContact CZ-CE1 4.14Å; F170-F173 AromaticContact CZ-CE2 3.97Å; F170-F173 HydrophobicContact CZ-CE2 3.97Å; F170-F173 AromaticContact CZ-CZ 3.88Å; F170-F173 HydrophobicContact CZ-CZ 3.88Å; F173-L196 HydrophobicContact CB-CD1 3.7Å; F173-L196 HydrophobicContact CB-CD2 4.47Å; F173-L196 HydrophobicContact CB-CG 4.14Å; F173-V199 HydrophobicContact CD1-CG1 4.03Å; F173-V199 HydrophobicContact CD2-CG1 4.17Å; F173-V199 HydrophobicContact CE1-CG1 3.8Å; F173-V199 HydrophobicContact CE2-CG1 3.92Å; F173-V199 HydrophobicContact CG-CG1 4.21Å; F173-V199 HydrophobicContact CZ-CG1 3.72Å; F173-R200 HydrophobicContact CD2-CB 4.16Å; F173-R200 HydrophobicContact CE2-CB 4.41Å; F173-L203 HydrophobicContact CE2-CB 4.15Å; F173-L203 HydrophobicContact CE2-CD2 3.63Å; F173-L203 HydrophobicContact CE2-CG 4.46Å; F173-L203 HydrophobicContact CZ-CB 4.2Å; F173-L203 HydrophobicContact CZ-CD2 3.7Å; F173-L203 HydrophobicContact CZ-CG 4.36Å; F173-V214 HydrophobicContact CD2-CG1 3.88Å; F173-V214 HydrophobicContact CE2-CG1 3.94Å; F173-E215 PolarHBondContact N-O 2.88Å; F173-L216 HydrophobicContact CB-CD2 4.19Å; F173-L216 CarbonylContact O-C 3.46Å; F173-L216 WeakPolarHBondContact O-CA 3.49Å; F173-S217 PolarHBondContact O-N 3.36Å
174M98.4Very high89.2Confident0 Ų044.5 Ų44.50%024%0.238CC..EExtended strand (participates in β ladder)trans-123.1143.2174.7-170.3-83.9-83.600109.5E107 T108 M135 V136 Q137 V138 I176 S217E107-M174 HydrophobicContact CB-CB 4.27Å; E107-M174 HydrophobicContact CB-CE 4.31Å; E107-M174 HydrophobicContact CB-CG 4.09Å; E107-M174 VanDerWaalsContact O-CB 3.31Å; E107-M174 WeakPolarHBondContact O-CB 3.29Å; E107-M174 WeakPolarHBondContact O-CE 3.44Å; T108-M174 HydrophobicContact CG2-CE 3.68Å; M135-M174 HydrophobicContact CB-CB 4.25Å; M135-M174 HydrophobicContact SD-CB 4.36Å; V136-M174 PolarHBondContact O-N 2.94Å; Q137-M174 CarbonylContact C-O 3.5Å; Q137-M174 VanDerWaalsContact CA-O 3.29Å; Q137-M174 WeakPolarHBondContact CA-O 3.31Å; Q137-M174 HydrophobicContact CB-CE 4.04Å; Q137-M174 HydrophobicContact CG-CE 3.81Å; Q137-M174 HydrophobicContact CG-SD 4.27Å; V138-M174 PolarHBondContact N-O 2.97Å; M174-I176 HydrophobicContact CE-CG1 4.36Å; M174-I176 HydrophobicContact SD-CG1 3.88Å; M174-S217 WeakPolarHBondContact CA-O 3.49Å; M174-S217 WeakPolarHBondContact CG-O 3.25Å
175T97Very high87Confident1 Ų145.2 Ų45.21%0.00626%0.258CS..  trans-137.7153.4164.4-161.60000112.5V138 T140 F193 L196 S217 M218 R236V138-T175 PolarHBondContact O-OG1 3.37Å; T140-T175 HydrophobicContact CG2-CG2 4.16Å; T140-T175 WeakPolarHBondContact CG2-OG1 3.37Å; T140-T175 PolarHBondContact OG1-OG1 3.06Å; T175-F193 HydrophobicContact CG2-CD1 4.46Å; T175-L196 HydrophobicContact CG2-CB 4.33Å; T175-L196 HydrophobicContact CG2-CD1 4.44Å; T175-L196 HydrophobicContact CG2-CD2 3.84Å; T175-L196 HydrophobicContact CG2-CG 4.43Å; T175-S217 PolarHBondContact N-O 2.92Å; T175-M218 HydrophobicContact CG2-CB 4.12Å; T175-R236 PolarHBondContact O-NH2 2.9Å
176I92Very high84.6Confident64 Ų6454.3 Ų54.333%0.32830%0.301SS..  trans-111.399.4165.8-56176.7000106M174 M220M174-I176 HydrophobicContact CE-CG1 4.36Å; M174-I176 HydrophobicContact SD-CG1 3.88Å; I176-M220 HydrophobicContact CG2-CE 4.35Å
177G86.5Confident82.8Confident6 Ų654.9 Ų54.96%0.06230%0.295CS..  trans-63.3172178.200000113K146 D192K146-G177 PolarHBondContact NZ-O 3.45Å; G177-D192 VanDerWaalsContact CA-CG 3.5Å; G177-D192 WeakPolarHBondContact CA-OD2 3.38Å
178R82.9Confident81.6Confident83 Ų8360 Ų6031%0.31332%0.322SS..  trans-69.4141.3172.1-48.6-16867.4-145.5-7.4110.1E143 D180 H181 D192E143-R178 VanDerWaalsContact OE2-CG 3.26Å; E143-R178 WeakPolarHBondContact OE2-CG 3.5Å; E143-R178 IonicContact OE2-NE 3.93Å; E143-R178 PolarHBondContact OE2-NE 2.88Å; R178-D180 VanDerWaalsContact C-N 3.27Å; R178-D180 WeakPolarHBondContact CB-OD1 3.25Å; R178-D180 IonicContact CZ-OD1 3.9Å; R178-D180 IonicContact CZ-OD2 2.67Å; R178-D180 IonicContact NE-OD1 3.2Å; R178-D180 IonicContact NH1-OD1 2.72Å; R178-D180 IonicContact NH1-OD2 3.7Å; R178-D180 PolarHBondContact NH1-OD2 3.31Å; R178-D180 IonicContact NH2-OD2 2.97Å; R178-D180 PolarHBondContact NH2-OD2 2.88Å; R178-D180 PolarHBondContact O-N 3.14Å; R178-H181 HydrophobicContact CB-CB 4.38Å; R178-H181 VanDerWaalsContact CD-CE1 3.45Å; R178-H181 WeakPolarHBondContact CD-CE1 3.39Å; R178-H181 WeakPolarHBondContact O-CB 3.42Å; R178-H181 PolarHBondContact O-N 2.87Å; R178-H181 VanDerWaalsContact O-N 3.16Å; R178-D192 PolarHBondContact N-OD2 3.36Å
179L79Confident80.9Confident138 Ų13862.5 Ų62.572%0.72333%0.334SS*.Hα-helixtrans-64.8-33.9178.9-67.1173.7000111.7H181 S182 M220L179-H181 PolarHBondContact O-N 3.15Å; L179-S182 WeakPolarHBondContact O-CB 3.47Å; L179-S182 PolarHBondContact O-N 2.87Å; L179-S182 VanDerWaalsContact O-N 3.15Å; L179-M220 HydrophobicContact CD2-CE 4.35Å
180D78.4Confident80.6Confident81 Ų8159.3 Ų59.343%0.43332%0.316SS..Hα-helixtrans-71.1-14.5176.864.3-12.8000113.3R178R178-D180 VanDerWaalsContact C-N 3.27Å; R178-D180 WeakPolarHBondContact CB-OD1 3.25Å; R178-D180 IonicContact CZ-OD1 3.9Å; R178-D180 IonicContact CZ-OD2 2.67Å; R178-D180 IonicContact NE-OD1 3.2Å; R178-D180 IonicContact NH1-OD1 2.72Å; R178-D180 IonicContact NH1-OD2 3.7Å; R178-D180 PolarHBondContact NH1-OD2 3.31Å; R178-D180 IonicContact NH2-OD2 2.97Å; R178-D180 PolarHBondContact NH2-OD2 2.88Å; R178-D180 PolarHBondContact O-N 3.14Å
181H79.6Confident80.3Confident25 Ų2560.7 Ų60.712%0.11633%0.328CS..Hα-helixtrans-83.2-19.3171.5-64.2168.1000112.8R178 L179 D183 N190 P191 D192R178-H181 HydrophobicContact CB-CB 4.38Å; R178-H181 VanDerWaalsContact CD-CE1 3.45Å; R178-H181 WeakPolarHBondContact CD-CE1 3.39Å; R178-H181 WeakPolarHBondContact O-CB 3.42Å; R178-H181 PolarHBondContact O-N 2.87Å; R178-H181 VanDerWaalsContact O-N 3.16Å; L179-H181 PolarHBondContact O-N 3.15Å; H181-D183 VanDerWaalsContact C-N 3.33Å; H181-N190 PolarHBondContact O-ND2 2.97Å; H181-P191 WeakPolarHBondContact CE1-CG 3.18Å; H181-P191 WeakPolarHBondContact ND1-CG 3.42Å; H181-D192 IonicContact CE1-OD2 3.2Å; H181-D192 IonicContact CG-OD2 2.97Å; H181-D192 IonicContact ND1-OD2 2.81Å; H181-D192 PolarHBondContact ND1-OD2 3.33Å
182S76.2Confident80.1Confident23 Ų2360.3 Ų60.316%0.16133%0.326CS..Hα-helixtrans-71-26.5178.6-57.10000113.2L179 D223L179-S182 WeakPolarHBondContact O-CB 3.47Å; L179-S182 PolarHBondContact O-N 2.87Å; L179-S182 VanDerWaalsContact O-N 3.15Å; S182-D223 WeakPolarHBondContact CB-OD2 3.45Å; S182-D223 PolarHBondContact OG-OD2 3.3Å
183D66.3Low80Confident145 Ų14560.4 Ų60.478%0.77533%0.326SS*.THydrogen-bonded Turntrans-95.817.1-178.7-72-28.1000113.3H181 G185H181-D183 VanDerWaalsContact C-N 3.33Å; D183-G185 PolarHBondContact O-N 2.83Å
184A54.4Low79.8Confident20 Ų2064 Ų6417%0.16534%0.34CS..  trans-7275.8-178.600000111.2E186 R187A184-E186 PolarHBondContact O-N 3.05Å; A184-R187 HydrophobicContact CB-CB 3.93Å; A184-R187 HydrophobicContact CB-CG 4.2Å
185G53.1Low79.7Confident83 Ų8365.4 Ų65.486%0.85635%0.349SS*.THydrogen-bonded Turntrans-61.5-8.3172.500000113.9D183D183-G185 PolarHBondContact O-N 2.83Å
186E47.5Very low79.7Confident193 Ų19365.4 Ų65.490%0.90235%0.349SS*.THydrogen-bonded Turntrans-124.1-9.4-174.5-65.7-177.5171.600115A184A184-E186 PolarHBondContact O-N 3.05Å
187R58.8Low79.9Confident118 Ų11862.6 Ų62.645%0.44534%0.335SS..  trans-95129.7177-68.8-172.9-84.2-107.7-2110.3A184 E189A184-R187 HydrophobicContact CB-CB 3.93Å; A184-R187 HydrophobicContact CB-CG 4.2Å; R187-E189 WeakPolarHBondContact CB-O 3.32Å; R187-E189 PolarHBondContact O-N 3.13Å
188D71.4Confident80.4Confident165 Ų16565.6 Ų65.688%0.88235%0.349SS*.SBendtrans-60.1-32.1171.1-69.4-31.9000111.6
189E85.5Confident81.2Confident62 Ų6262.1 Ų62.129%0.2934%0.337SS..SBendtrans-133.7141.2-178.1-61.9-164.1161.400113.4R26 R187 R194 M230R26-E189 IonicContact CZ-OE1 2.7Å; R26-E189 IonicContact NH1-OE1 3.24Å; R26-E189 PolarHBondContact NH1-OE1 3.29Å; R26-E189 IonicContact NH2-OE1 3.4Å; R26-E189 PolarHBondContact NH2-OE1 2.82Å; R187-E189 WeakPolarHBondContact CB-O 3.32Å; R187-E189 PolarHBondContact O-N 3.13Å; E189-R194 WeakPolarHBondContact OE2-CD 3.32Å; E189-M230 HydrophobicContact CB-CE 3.82Å; E189-M230 HydrophobicContact CB-SD 4.27Å; E189-M230 HydrophobicContact CG-CE 4.14Å
190N91.6Very high82.1Confident0 Ų056 Ų560%030%0.304CS..  trans-80.7121.5169.8-177.8-44000109.4H181 D192 F193 R194 M230H181-N190 PolarHBondContact O-ND2 2.97Å; N190-D192 VanDerWaalsContact C-N 3.29Å; N190-D192 PolarHBondContact O-N 2.89Å; N190-D192 WeakPolarHBondContact OD1-CB 3.34Å; N190-D192 PolarHBondContact OD1-N 2.85Å; N190-F193 HydrophobicContact CB-CB 4.15Å; N190-F193 HydrophobicContact CB-CD2 3.47Å; N190-F193 VanDerWaalsContact CB-CD2 3.47Å; N190-F193 HydrophobicContact CB-CE2 3.95Å; N190-F193 HydrophobicContact CB-CG 3.9Å; N190-F193 PolarHBondContact O-N 3.28Å; N190-F193 VanDerWaalsContact O-N 3.16Å; N190-F193 PolarHBondContact OD1-N 3.13Å; N190-R194 PolarHBondContact O-N 2.86Å; N190-M230 HydrophobicContact CB-SD 4.01Å; N190-M230 PolarHBondContact N-SD 3.49Å; N190-M230 VanDerWaalsContact N-SD 3.43Å
191P92.8Very high83Confident56 Ų5656.1 Ų56.136%0.36430%0.302SS..Hα-helixtrans-65.6-29.2-173.627.1-35.9000113.3H181 R194 C195H181-P191 WeakPolarHBondContact CE1-CG 3.18Å; H181-P191 WeakPolarHBondContact ND1-CG 3.42Å; P191-R194 PolarHBondContact O-N 3.49Å; P191-C195 WeakPolarHBondContact O-CB 3.09Å; P191-C195 PolarHBondContact O-N 3.39Å
192D94.4Very high83.8Confident3 Ų357.2 Ų57.22%0.01632%0.316CS..Hα-helixtrans-67.5-42.5175-70.8-57.1000111.4T140 S141 G177 R178 H181 N190 C195 L196T140-D192 VanDerWaalsContact C-OD1 3.25Å; T140-D192 WeakPolarHBondContact CB-OD1 3.26Å; T140-D192 WeakPolarHBondContact CG2-O 3.47Å; T140-D192 VanDerWaalsContact OG1-CB 3.25Å; T140-D192 WeakPolarHBondContact OG1-CB 3.45Å; T140-D192 PolarHBondContact OG1-OD1 3.24Å; S141-D192 VanDerWaalsContact CA-OD1 3.32Å; S141-D192 WeakPolarHBondContact CA-OD1 3.45Å; S141-D192 PolarHBondContact N-OD1 2.85Å; G177-D192 VanDerWaalsContact CA-CG 3.5Å; G177-D192 WeakPolarHBondContact CA-OD2 3.38Å; R178-D192 PolarHBondContact N-OD2 3.36Å; H181-D192 IonicContact CE1-OD2 3.2Å; H181-D192 IonicContact CG-OD2 2.97Å; H181-D192 IonicContact ND1-OD2 2.81Å; H181-D192 PolarHBondContact ND1-OD2 3.33Å; N190-D192 VanDerWaalsContact C-N 3.29Å; N190-D192 PolarHBondContact O-N 2.89Å; N190-D192 WeakPolarHBondContact OD1-CB 3.34Å; N190-D192 PolarHBondContact OD1-N 2.85Å; D192-C195 PolarHBondContact O-N 2.96Å; D192-L196 PolarHBondContact O-N 3.5Å
193F95.2Very high84.9Confident2 Ų256.1 Ų56.11%0.00931%0.308CS..Hα-helixtrans-68.7-37.8177.8-59.8-14.9000111.1T175 N190 L196 L197 M218 D223 A227 M230T175-F193 HydrophobicContact CG2-CD1 4.46Å; N190-F193 HydrophobicContact CB-CB 4.15Å; N190-F193 HydrophobicContact CB-CD2 3.47Å; N190-F193 VanDerWaalsContact CB-CD2 3.47Å; N190-F193 HydrophobicContact CB-CE2 3.95Å; N190-F193 HydrophobicContact CB-CG 3.9Å; N190-F193 PolarHBondContact O-N 3.28Å; N190-F193 VanDerWaalsContact O-N 3.16Å; N190-F193 PolarHBondContact OD1-N 3.13Å; F193-L196 PolarHBondContact O-N 2.98Å; F193-L197 WeakPolarHBondContact O-CG 3.04Å; F193-L197 PolarHBondContact O-N 3.47Å; F193-M218 HydrophobicContact CB-CE 4.04Å; F193-M218 HydrophobicContact CB-SD 3.6Å; F193-M218 VanDerWaalsContact CB-SD 3.6Å; F193-M218 HydrophobicContact CD1-CB 3.76Å; F193-M218 HydrophobicContact CD1-CG 3.97Å; F193-M218 HydrophobicContact CD1-SD 3.62Å; F193-M218 HydrophobicContact CE1-CB 3.78Å; F193-M218 HydrophobicContact CE1-CG 4.31Å; F193-M218 HydrophobicContact CG-CE 4.38Å; F193-M218 HydrophobicContact CG-CG 4.33Å; F193-M218 HydrophobicContact CG-SD 3.68Å; F193-D223 HydrophobicContact CZ-CB 4.49Å; F193-A227 HydrophobicContact CD2-CB 4.02Å; F193-A227 HydrophobicContact CE2-CB 3.58Å; F193-A227 HydrophobicContact CZ-CB 3.95Å; F193-M230 HydrophobicContact CB-CB 4.41Å; F193-M230 HydrophobicContact CB-CE 3.75Å; F193-M230 HydrophobicContact CB-SD 3.65Å; F193-M230 HydrophobicContact CD2-SD 3.88Å; F193-M230 HydrophobicContact CG-SD 4.29Å
194R95.2Very high86.3Confident77 Ų7749.5 Ų49.529%0.29127%0.273SS..Hα-helixtrans-60-47.5172.1-177.268.2-135.7176.43.5111.3E189 N190 P191 L196 L197 D198 E201 M230E189-R194 WeakPolarHBondContact OE2-CD 3.32Å; N190-R194 PolarHBondContact O-N 2.86Å; P191-R194 PolarHBondContact O-N 3.49Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.32Å; R194-L197 WeakPolarHBondContact O-CB 3.35Å; R194-L197 PolarHBondContact O-N 2.97Å; R194-L197 VanDerWaalsContact O-N 3.16Å; R194-D198 IonicContact CZ-OD1 3.72Å; R194-D198 IonicContact NE-OD1 3.68Å; R194-D198 PolarHBondContact NE-OD1 3.15Å; R194-D198 IonicContact NE-OD2 3.57Å; R194-D198 IonicContact NH2-OD1 2.71Å; R194-D198 PolarHBondContact NH2-OD1 2.99Å; R194-D198 VanDerWaalsContact O-CG 3.3Å; R194-D198 PolarHBondContact O-N 3.37Å; R194-E201 IonicContact NH2-OE1 3.56Å; R194-E201 IonicContact NH2-OE2 3.26Å; R194-M230 HydrophobicContact CB-CE 4.12Å
195C95.9Very high88.3Confident29 Ų2957.5 Ų57.520%0.19630%0.304CS..Hα-helixtrans-58.2-43.2176.7-178.10000112T140 P191 D192 L197 D198 V199T140-C195 HydrophobicContact CG2-CB 3.93Å; P191-C195 WeakPolarHBondContact O-CB 3.09Å; P191-C195 PolarHBondContact O-N 3.39Å; D192-C195 PolarHBondContact O-N 2.96Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 2.97Å; C195-D198 PolarHBondContact O-N 3.1Å; C195-V199 WeakPolarHBondContact O-CG2 3.28Å; C195-V199 PolarHBondContact O-N 3.42Å
196L97.5Very high90.4Very high0 Ų060.6 Ų60.60%030%0.296CS..Hα-helixtrans-65.9-36.1178-16069000112.7V138 T140 F173 T175 D192 F193 R194 V199 R200 L216 M218V138-L196 HydrophobicContact CB-CD1 3.83Å; V138-L196 HydrophobicContact CG2-CD1 3.88Å; T140-L196 HydrophobicContact CG2-CB 4.25Å; T140-L196 HydrophobicContact CG2-CD1 4.23Å; F173-L196 HydrophobicContact CB-CD1 3.7Å; F173-L196 HydrophobicContact CB-CD2 4.47Å; F173-L196 HydrophobicContact CB-CG 4.14Å; T175-L196 HydrophobicContact CG2-CB 4.33Å; T175-L196 HydrophobicContact CG2-CD1 4.44Å; T175-L196 HydrophobicContact CG2-CD2 3.84Å; T175-L196 HydrophobicContact CG2-CG 4.43Å; D192-L196 PolarHBondContact O-N 3.5Å; F193-L196 PolarHBondContact O-N 2.98Å; R194-L196 VanDerWaalsContact C-N 3.31Å; R194-L196 PolarHBondContact O-N 3.32Å; L196-V199 PolarHBondContact O-N 3.35Å; L196-R200 PolarHBondContact O-N 2.67Å; L196-R200 VanDerWaalsContact O-N 3.1Å; L196-L216 HydrophobicContact CD2-CD2 3.95Å; L196-L216 HydrophobicContact CG-CD2 3.93Å; L196-M218 HydrophobicContact CB-SD 4.32Å; L196-M218 HydrophobicContact CD2-CB 4.15Å; L196-M218 HydrophobicContact CD2-CG 4.36Å; L196-M218 HydrophobicContact CD2-SD 3.87Å
197L96.5Very high92.7Very high6 Ų654.4 Ų54.43%0.03127%0.269CS..Hα-helixtrans-61.5-47.1172.4-74.3159.2000111.1F193 R194 C195 V199 R200 E201 L216 M230F193-L197 WeakPolarHBondContact O-CG 3.04Å; F193-L197 PolarHBondContact O-N 3.47Å; R194-L197 WeakPolarHBondContact O-CB 3.35Å; R194-L197 PolarHBondContact O-N 2.97Å; R194-L197 VanDerWaalsContact O-N 3.16Å; C195-L197 VanDerWaalsContact C-N 3.34Å; C195-L197 PolarHBondContact O-N 2.97Å; L197-V199 VanDerWaalsContact C-N 3.31Å; L197-V199 PolarHBondContact O-N 3.27Å; L197-R200 PolarHBondContact O-N 3.16Å; L197-R200 VanDerWaalsContact O-N 3.13Å; L197-E201 WeakPolarHBondContact O-CG 3.37Å; L197-E201 PolarHBondContact O-N 3.46Å; L197-L216 HydrophobicContact CD2-CD1 3.58Å; L197-L216 HydrophobicContact CG-CD1 4.17Å; L197-M230 HydrophobicContact CD1-CB 4.3Å; L197-M230 HydrophobicContact CD1-CE 4.04Å; L197-M230 WeakPolarHBondContact CD1-O 3.3Å; L197-M230 WeakPolarHBondContact CD2-O 3.34Å
198D97.3Very high94.4Very high69 Ų6952 Ų5237%0.36928%0.282SS..Hα-helixtrans-60.3-40.9179.2-63.9-27.3000111.4R194 C195 E201 A202R194-D198 IonicContact CZ-OD1 3.72Å; R194-D198 IonicContact NE-OD1 3.68Å; R194-D198 PolarHBondContact NE-OD1 3.15Å; R194-D198 IonicContact NE-OD2 3.57Å; R194-D198 IonicContact NH2-OD1 2.71Å; R194-D198 PolarHBondContact NH2-OD1 2.99Å; R194-D198 VanDerWaalsContact O-CG 3.3Å; R194-D198 PolarHBondContact O-N 3.37Å; C195-D198 PolarHBondContact O-N 3.1Å; D198-E201 PolarHBondContact O-N 3.04Å; D198-A202 WeakPolarHBondContact O-CB 3.07Å; D198-A202 PolarHBondContact O-N 2.84Å
199V98.2Very high95.5Very high9 Ų945.2 Ų45.26%0.05525%0.245CC..Hα-helixtrans-61.2-45.1174.4170.20000111.5V138 P151 A154 F173 C195 L196 L197 L203V138-V199 HydrophobicContact CG1-CG2 4.43Å; V138-V199 HydrophobicContact CG2-CG1 4.37Å; P151-V199 HydrophobicContact CB-CG2 3.82Å; A154-V199 HydrophobicContact CB-CG1 3.63Å; F173-V199 HydrophobicContact CD1-CG1 4.03Å; F173-V199 HydrophobicContact CD2-CG1 4.17Å; F173-V199 HydrophobicContact CE1-CG1 3.8Å; F173-V199 HydrophobicContact CE2-CG1 3.92Å; F173-V199 HydrophobicContact CG-CG1 4.21Å; F173-V199 HydrophobicContact CZ-CG1 3.72Å; C195-V199 WeakPolarHBondContact O-CG2 3.28Å; C195-V199 PolarHBondContact O-N 3.42Å; L196-V199 PolarHBondContact O-N 3.35Å; L197-V199 VanDerWaalsContact C-N 3.31Å; L197-V199 PolarHBondContact O-N 3.27Å; V199-L203 PolarHBondContact O-N 3.14Å
200R97.9Very high96Very high9 Ų945.1 Ų45.13%0.03425%0.25CS..Hα-helixtrans-63-45.8176.4178.5-178.767.11670.1111.5S28 F173 L196 L197 L203 C204 I211 V214 L216S28-R200 PolarHBondContact OG-NH1 3.47Å; F173-R200 HydrophobicContact CD2-CB 4.16Å; F173-R200 HydrophobicContact CE2-CB 4.41Å; L196-R200 PolarHBondContact O-N 2.67Å; L196-R200 VanDerWaalsContact O-N 3.1Å; L197-R200 PolarHBondContact O-N 3.16Å; L197-R200 VanDerWaalsContact O-N 3.13Å; R200-L203 PolarHBondContact O-N 3.48Å; R200-C204 VanDerWaalsContact O-CB 3.32Å; R200-C204 WeakPolarHBondContact O-CB 3.44Å; R200-C204 PolarHBondContact O-N 3.02Å; R200-C204 PolarHBondContact O-SG 3.42Å; R200-I211 HydrophobicContact CG-CD1 3.93Å; R200-V214 WeakPolarHBondContact CD-O 3.38Å; R200-V214 HydrophobicContact CG-CB 3.89Å; R200-V214 HydrophobicContact CG-CG1 3.76Å; R200-L216 HydrophobicContact CB-CD2 3.97Å; R200-L216 HydrophobicContact CG-CD2 4.43Å
201E97.1Very high96.1Very high84 Ų8448 Ų4839%0.39327%0.265SS..Hα-helixtrans-61.6-44.3179.9-74175.1-169.200111.4R194 L197 D198 C204 K205 I211R194-E201 IonicContact NH2-OE1 3.56Å; R194-E201 IonicContact NH2-OE2 3.26Å; L197-E201 WeakPolarHBondContact O-CG 3.37Å; L197-E201 PolarHBondContact O-N 3.46Å; D198-E201 PolarHBondContact O-N 3.04Å; E201-C204 PolarHBondContact O-N 3.3Å; E201-K205 VanDerWaalsContact O-CB 3.24Å; E201-K205 WeakPolarHBondContact O-CB 3.29Å; E201-K205 PolarHBondContact O-N 2.66Å; E201-I211 HydrophobicContact CG-CD1 4.13Å
202A98Very high96.1Very high48 Ų4849.4 Ų49.440%0.39727%0.269SS..Hα-helixtrans-59.2-51.4175.400000111.7D198 C204 K205 E206D198-A202 WeakPolarHBondContact O-CB 3.07Å; D198-A202 PolarHBondContact O-N 2.84Å; A202-C204 PolarHBondContact O-N 3.46Å; A202-K205 PolarHBondContact O-N 2.87Å; A202-E206 WeakPolarHBondContact O-CB 3.15Å; A202-E206 PolarHBondContact O-N 3.35Å
203L97.8Very high96.2Very high0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-56.8-50.3177.5179.980.1000111.3C155 T158 F170 F173 V199 R200 K205 E206 N207 I209 V214C155-L203 HydrophobicContact CB-CD1 4.37Å; T158-L203 HydrophobicContact CG2-CD1 3.62Å; T158-L203 HydrophobicContact CG2-CD2 3.75Å; T158-L203 HydrophobicContact CG2-CG 4.35Å; F170-L203 HydrophobicContact CE1-CD2 3.75Å; F170-L203 HydrophobicContact CZ-CD2 3.94Å; F173-L203 HydrophobicContact CE2-CB 4.15Å; F173-L203 HydrophobicContact CE2-CD2 3.63Å; F173-L203 HydrophobicContact CE2-CG 4.46Å; F173-L203 HydrophobicContact CZ-CB 4.2Å; F173-L203 HydrophobicContact CZ-CD2 3.7Å; F173-L203 HydrophobicContact CZ-CG 4.36Å; V199-L203 PolarHBondContact O-N 3.14Å; R200-L203 PolarHBondContact O-N 3.48Å; L203-K205 PolarHBondContact O-N 2.87Å; L203-E206 PolarHBondContact O-N 2.87Å; L203-N207 WeakPolarHBondContact O-CB 3.37Å; L203-N207 PolarHBondContact O-N 3.42Å; L203-N207 PolarHBondContact O-ND2 2.93Å; L203-I209 HydrophobicContact CD2-CD1 4.38Å; L203-I209 HydrophobicContact CG-CD1 4.45Å; L203-V214 HydrophobicContact CD2-CG1 4.31Å; L203-V214 HydrophobicContact CD2-CG2 4.29Å
204C96.9Very high96.3Very high6 Ų655.3 Ų55.34%0.04130%0.297CS..Hα-helixtrans-62.3-44.2-176-710000111.4R200 E201 A202 N207 G208 I209 I211 V214R200-C204 VanDerWaalsContact O-CB 3.32Å; R200-C204 WeakPolarHBondContact O-CB 3.44Å; R200-C204 PolarHBondContact O-N 3.02Å; R200-C204 PolarHBondContact O-SG 3.42Å; E201-C204 PolarHBondContact O-N 3.3Å; A202-C204 PolarHBondContact O-N 3.46Å; C204-N207 PolarHBondContact O-N 2.89Å; C204-G208 WeakPolarHBondContact O-CA 3.44Å; C204-G208 PolarHBondContact O-N 3.12Å; C204-I209 VanDerWaalsContact CB-O 3.26Å; C204-I209 WeakPolarHBondContact CB-O 3.34Å; C204-I209 PolarHBondContact O-N 2.95Å; C204-I211 HydrophobicContact CB-CD1 3.9Å; C204-I211 HydrophobicContact CB-CG1 4.26Å; C204-V214 VanDerWaalsContact SG-CG2 3.55Å
205K96.7Very high96.5Very high189 Ų18952.2 Ų52.282%0.82229%0.286SS*.Hα-helixtrans-63.9-46.3177.7-177.1-179.9177.9-177.80112.1E201 A202 L203 N207E201-K205 VanDerWaalsContact O-CB 3.24Å; E201-K205 WeakPolarHBondContact O-CB 3.29Å; E201-K205 PolarHBondContact O-N 2.66Å; A202-K205 PolarHBondContact O-N 2.87Å; L203-K205 PolarHBondContact O-N 2.87Å; K205-N207 VanDerWaalsContact C-N 3.29Å; K205-N207 PolarHBondContact O-N 3.46Å
206E95.9Very high96.6Very high147 Ų14750.9 Ų50.969%0.68728%0.277SS*.Hα-helixtrans-65.9-32.7-178.8-174.6179.8178.900112.5A202 L203A202-E206 WeakPolarHBondContact O-CB 3.15Å; A202-E206 PolarHBondContact O-N 3.35Å; L203-E206 PolarHBondContact O-N 2.87Å
207N95.3Very high96.6Very high63 Ų6350.9 Ų50.934%0.33728%0.277SS..Hα-helixtrans-108.12.7-172.6-69-98.6000114.1R162 L203 C204 K205 I209R162-N207 PolarHBondContact NH1-OD1 3Å; L203-N207 WeakPolarHBondContact O-CB 3.37Å; L203-N207 PolarHBondContact O-N 3.42Å; L203-N207 PolarHBondContact O-ND2 2.93Å; C204-N207 PolarHBondContact O-N 2.89Å; K205-N207 VanDerWaalsContact C-N 3.29Å; K205-N207 PolarHBondContact O-N 3.46Å; N207-I209 HydrophobicContact CB-CD1 3.72Å; N207-I209 HydrophobicContact CB-CG1 3.68Å; N207-I209 PolarHBondContact O-N 3.1Å
208G94.8Very high96.7Very high69 Ų6950.6 Ų50.671%0.71128%0.275SS*.THydrogen-bonded Turntrans60.531.3-176.300000113.9C204C204-G208 WeakPolarHBondContact O-CA 3.44Å; C204-G208 PolarHBondContact O-N 3.12Å
209I95.3Very high96.6Very high22 Ų2247.3 Ų47.311%0.11326%0.258CS..  trans-90.6131.3-178.6-52170.7000109L203 C204 N207 I211 Q213 V214L203-I209 HydrophobicContact CD2-CD1 4.38Å; L203-I209 HydrophobicContact CG-CD1 4.45Å; C204-I209 VanDerWaalsContact CB-O 3.26Å; C204-I209 WeakPolarHBondContact CB-O 3.34Å; C204-I209 PolarHBondContact O-N 2.95Å; N207-I209 HydrophobicContact CB-CD1 3.72Å; N207-I209 HydrophobicContact CB-CG1 3.68Å; N207-I209 PolarHBondContact O-N 3.1Å; I209-I211 PolarHBondContact O-N 2.88Å; I209-Q213 HydrophobicContact CG2-CB 4.02Å; I209-V214 HydrophobicContact CG2-CG2 3.85Å
210P94.9Very high96.4Very high60 Ų6049.4 Ų49.439%0.3927%0.268SS..  trans-58.6134.2169.6-26.437.1000112.2D212 Q213P210-D212 WeakPolarHBondContact CB-OD1 3.19Å; P210-D212 PolarHBondContact O-N 3.24Å; P210-D212 VanDerWaalsContact O-N 3.14Å; P210-Q213 HydrophobicContact CB-CG 4.16Å; P210-Q213 WeakPolarHBondContact O-CB 3.43Å; P210-Q213 PolarHBondContact O-N 2.96Å
211I94Very high96.2Very high60 Ų6050.1 Ų50.131%0.30827%0.274SS..G310 helixtrans-56.2-32.6-175.9-84.7-75.4000113.1R200 E201 C204 I209 Q213 V214R200-I211 HydrophobicContact CG-CD1 3.93Å; E201-I211 HydrophobicContact CG-CD1 4.13Å; C204-I211 HydrophobicContact CB-CD1 3.9Å; C204-I211 HydrophobicContact CB-CG1 4.26Å; I209-I211 PolarHBondContact O-N 2.88Å; I211-Q213 PolarHBondContact O-N 3.42Å; I211-V214 PolarHBondContact O-N 3.2Å
212D93.7Very high95.9Very high86 Ų8649.2 Ų49.246%0.4629%0.288SS..G310 helixtrans-73.9-9.9179.566.2-33.5000114.4P210P210-D212 WeakPolarHBondContact CB-OD1 3.19Å; P210-D212 PolarHBondContact O-N 3.24Å; P210-D212 VanDerWaalsContact O-N 3.14Å
213Q95.7Very high95.7Very high125 Ų12547.3 Ų47.358%0.58427%0.271SS*.G310 helixtrans-90.6-9.6173.2-62.8-176.414.100113.4I209 P210 I211I209-Q213 HydrophobicContact CG2-CB 4.02Å; P210-Q213 HydrophobicContact CB-CG 4.16Å; P210-Q213 WeakPolarHBondContact O-CB 3.43Å; P210-Q213 PolarHBondContact O-N 2.96Å; I211-Q213 PolarHBondContact O-N 3.42Å
214V97.8Very high95.6Very high3 Ų347.4 Ų47.42%0.01827%0.271CS..SBendtrans-111.7102.1177.7-173.40000109.2F170 F173 R200 L203 C204 I209 I211F170-V214 HydrophobicContact CE1-CG1 4.06Å; F170-V214 HydrophobicContact CZ-CG1 4.18Å; F173-V214 HydrophobicContact CD2-CG1 3.88Å; F173-V214 HydrophobicContact CE2-CG1 3.94Å; R200-V214 WeakPolarHBondContact CD-O 3.38Å; R200-V214 HydrophobicContact CG-CB 3.89Å; R200-V214 HydrophobicContact CG-CG1 3.76Å; L203-V214 HydrophobicContact CD2-CG1 4.31Å; L203-V214 HydrophobicContact CD2-CG2 4.29Å; C204-V214 VanDerWaalsContact SG-CG2 3.55Å; I209-V214 HydrophobicContact CG2-CG2 3.85Å; I211-V214 PolarHBondContact O-N 3.2Å
215E98.5Very high95.5Very high13 Ų1349.8 Ų49.86%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-67.9148-179.9-67.2-173.8-159.100111R29 R32 M135 V171 G172 F173 T233 N234R29-E215 IonicContact CZ-OE1 3.07Å; R29-E215 IonicContact NH1-OE1 2.72Å; R29-E215 PolarHBondContact NH1-OE1 3.29Å; R32-E215 IonicContact CZ-OE2 3.5Å; R32-E215 IonicContact NH1-OE2 3.79Å; R32-E215 PolarHBondContact NH1-OE2 3.48Å; R32-E215 IonicContact NH2-OE1 2.72Å; R32-E215 PolarHBondContact NH2-OE1 3Å; R32-E215 IonicContact NH2-OE2 3.46Å; R32-E215 PolarHBondContact NH2-OE2 3.37Å; M135-E215 HydrophobicContact CE-CB 3.77Å; V171-E215 HydrophobicContact CG1-CB 3.94Å; V171-E215 HydrophobicContact CG1-CG 3.72Å; V171-E215 WeakPolarHBondContact CG1-OE1 3.46Å; V171-E215 WeakPolarHBondContact O-CB 3.4Å; V171-E215 PolarHBondContact O-N 3.44Å; G172-E215 CarbonylContact C-O 3.43Å; G172-E215 WeakPolarHBondContact CA-O 3.37Å; F173-E215 PolarHBondContact N-O 2.88Å; E215-T233 WeakPolarHBondContact CA-OG1 3.48Å; E215-T233 WeakPolarHBondContact CB-OG1 3.4Å; E215-N234 PolarHBondContact OE2-ND2 2.98Å
216L98.5Very high95.4Very high0 Ų042.1 Ų42.10%025%0.249CC..EExtended strand (participates in β ladder)trans-113.9129.5168.8-65.1-178000110F173 L196 L197 R200 M218 T233 N234F173-L216 HydrophobicContact CB-CD2 4.19Å; F173-L216 CarbonylContact O-C 3.46Å; F173-L216 WeakPolarHBondContact O-CA 3.49Å; L196-L216 HydrophobicContact CD2-CD2 3.95Å; L196-L216 HydrophobicContact CG-CD2 3.93Å; L197-L216 HydrophobicContact CD2-CD1 3.58Å; L197-L216 HydrophobicContact CG-CD1 4.17Å; R200-L216 HydrophobicContact CB-CD2 3.97Å; R200-L216 HydrophobicContact CG-CD2 4.43Å; L216-M218 HydrophobicContact CD1-CE 3.99Å; L216-T233 PolarHBondContact N-OG1 3.39Å; L216-T233 CarbonylContact O-C 3.52Å; L216-T233 WeakPolarHBondContact O-CA 3.38Å; L216-T233 PolarHBondContact O-N 2.97Å; L216-T233 PolarHBondContact O-OG1 2.92Å; L216-N234 PolarHBondContact O-N 3.42Å
217S98.6Very high95.4Very high0 Ų035.1 Ų35.10%022%0.216CC..EExtended strand (participates in β ladder)trans-113.199.8173.1-171.20000110.4E107 M135 F173 M174 T175 N234 R236E107-S217 WeakPolarHBondContact OE2-CB 3.45Å; E107-S217 PolarHBondContact OE2-OG 3.41Å; M135-S217 WeakPolarHBondContact SD-CB 3.23Å; F173-S217 PolarHBondContact O-N 3.36Å; M174-S217 WeakPolarHBondContact CA-O 3.49Å; M174-S217 WeakPolarHBondContact CG-O 3.25Å; T175-S217 PolarHBondContact N-O 2.92Å; S217-N234 WeakPolarHBondContact CA-O 3.48Å; S217-R236 PolarHBondContact O-NH1 3.31Å; S217-R236 PolarHBondContact OG-NH1 3.41Å
218M97.3Very high95.4Very high0 Ų032.2 Ų32.20%020%0.2CC..EExtended strand (participates in β ladder)trans-156.5152.6-178.362.6-174.7-175.300110.1T175 F193 L196 L216 A227 M230 S232 N234T175-M218 HydrophobicContact CG2-CB 4.12Å; F193-M218 HydrophobicContact CB-CE 4.04Å; F193-M218 HydrophobicContact CB-SD 3.6Å; F193-M218 VanDerWaalsContact CB-SD 3.6Å; F193-M218 HydrophobicContact CD1-CB 3.76Å; F193-M218 HydrophobicContact CD1-CG 3.97Å; F193-M218 HydrophobicContact CD1-SD 3.62Å; F193-M218 HydrophobicContact CE1-CB 3.78Å; F193-M218 HydrophobicContact CE1-CG 4.31Å; F193-M218 HydrophobicContact CG-CE 4.38Å; F193-M218 HydrophobicContact CG-CG 4.33Å; F193-M218 HydrophobicContact CG-SD 3.68Å; L196-M218 HydrophobicContact CB-SD 4.32Å; L196-M218 HydrophobicContact CD2-CB 4.15Å; L196-M218 HydrophobicContact CD2-CG 4.36Å; L196-M218 HydrophobicContact CD2-SD 3.87Å; L216-M218 HydrophobicContact CD1-CE 3.99Å; M218-A227 HydrophobicContact CG-CB 4.22Å; M218-A227 WeakPolarHBondContact O-CB 3.36Å; M218-M230 HydrophobicContact CE-CB 4.18Å; M218-S232 PolarHBondContact N-OG 3.42Å; M218-S232 WeakPolarHBondContact O-CB 3.33Å; M218-S232 PolarHBondContact O-OG 3.04Å; M218-N234 PolarHBondContact N-O 3.42Å; M218-N234 VanDerWaalsContact N-O 3.09Å; M218-N234 VanDerWaalsContact O-O 3.09Å
219G95.5Very high95.4Very high1 Ų134.1 Ų34.11%0.0119%0.186CC..EExtended strand (participates in β ladder)trans97125.5-173.800000113.2D223 A227 R236G219-D223 WeakPolarHBondContact CA-OD1 3.43Å; G219-A227 VanDerWaalsContact CA-CB 3.5Å; G219-R236 PolarHBondContact O-N 3.06Å
220M95.2Very high95.4Very high52 Ų5233.2 Ų33.226%0.25618%0.181SC..EExtended strand (participates in β ladder)trans-119-174.2177.2-64-176.4-69.800110.5I176 L179 G222 D223 F224 R236I176-M220 HydrophobicContact CG2-CE 4.35Å; L179-M220 HydrophobicContact CD2-CE 4.35Å; M220-G222 PolarHBondContact O-N 3.01Å; M220-D223 PolarHBondContact N-OD1 3.43Å; M220-D223 PolarHBondContact O-N 2.77Å; M220-D223 VanDerWaalsContact O-N 3.11Å; M220-F224 VanDerWaalsContact O-CB 3.29Å; M220-F224 WeakPolarHBondContact O-CB 3Å; M220-F224 WeakPolarHBondContact O-CD1 3.32Å; M220-F224 PolarHBondContact O-N 3.26Å; M220-R236 VanDerWaalsContact CA-O 3.31Å; M220-R236 WeakPolarHBondContact CA-O 3.26Å
221S93.1Very high95.4Very high25 Ų2530.5 Ų30.518%0.17517%0.165CC..THydrogen-bonded Turntrans-48.5-32.1-176.9-60.60000115.1G238 S239 S240S221-G238 PolarHBondContact OG-N 3.44Å; S221-S239 WeakPolarHBondContact CB-OG 3.41Å; S221-S239 PolarHBondContact OG-OG 2.88Å; S221-S240 WeakPolarHBondContact CB-OG 3.24Å
222G91.2Very high95.6Very high65 Ų6527.8 Ų27.867%0.6715%0.151SC*.THydrogen-bonded Turntrans-85.6-27.9-177.300000115.1M220M220-G222 PolarHBondContact O-N 3.01Å
223D93.9Very high95.8Very high8 Ų823.9 Ų23.94%0.04313%0.13CC..THydrogen-bonded Turntrans-136.67.9-165.858.66.8000114.2S182 F193 G219 M220 E225 Q226 A227S182-D223 WeakPolarHBondContact CB-OD2 3.45Å; S182-D223 PolarHBondContact OG-OD2 3.3Å; F193-D223 HydrophobicContact CZ-CB 4.49Å; G219-D223 WeakPolarHBondContact CA-OD1 3.43Å; M220-D223 PolarHBondContact N-OD1 3.43Å; M220-D223 PolarHBondContact O-N 2.77Å; M220-D223 VanDerWaalsContact O-N 3.11Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.86Å; D223-Q226 PolarHBondContact O-N 3.27Å; D223-Q226 VanDerWaalsContact O-N 3.11Å; D223-A227 PolarHBondContact O-N 3Å
224F95.6Very high95.9Very high1 Ų117.9 Ų17.90%0.00410%0.102CC..Hα-helixtrans-59.8-32.7-176.274.4-88.3000114.2I11 R14 I15 M220 A227 I228 V235 I237I11-F224 HydrophobicContact CD1-CE1 4.07Å; I11-F224 HydrophobicContact CD1-CZ 3.9Å; R14-F224 HydrophobicContact CB-CE2 3.99Å; R14-F224 HydrophobicContact CB-CZ 3.85Å; R14-F224 VanDerWaalsContact CZ-CE1 3.46Å; R14-F224 VanDerWaalsContact NH2-CE1 3.32Å; I15-F224 HydrophobicContact CG1-CD2 4.06Å; I15-F224 HydrophobicContact CG1-CE2 3.82Å; M220-F224 VanDerWaalsContact O-CB 3.29Å; M220-F224 WeakPolarHBondContact O-CB 3Å; M220-F224 WeakPolarHBondContact O-CD1 3.32Å; M220-F224 PolarHBondContact O-N 3.26Å; F224-A227 WeakPolarHBondContact O-CB 3.26Å; F224-A227 PolarHBondContact O-N 3.49Å; F224-I228 HydrophobicContact CD2-CD1 3.94Å; F224-I228 WeakPolarHBondContact O-CG1 3.24Å; F224-I228 PolarHBondContact O-N 3.02Å; F224-V235 HydrophobicContact CB-CB 3.93Å; F224-V235 HydrophobicContact CB-CG1 3.86Å; F224-I237 HydrophobicContact CB-CD1 4.06Å; F224-I237 HydrophobicContact CB-CG1 4.33Å; F224-I237 HydrophobicContact CD1-CD1 3.63Å; F224-I237 HydrophobicContact CD1-CG1 4.22Å; F224-I237 HydrophobicContact CD2-CD1 3.7Å; F224-I237 HydrophobicContact CE1-CD1 3.9Å; F224-I237 HydrophobicContact CE2-CD1 3.98Å; F224-I237 HydrophobicContact CG-CD1 3.52Å; F224-I237 HydrophobicContact CG-CG1 4.21Å; F224-I237 HydrophobicContact CZ-CD1 4.06Å
225E95.2Very high96Very high57 Ų5717.8 Ų17.827%0.26610%0.101SC..Hα-helixtrans-67.5-39.5177.9-68.5170.9131.400111.2R14 A18 D223 I228 R229R14-E225 WeakPolarHBondContact CB-OE1 3.31Å; R14-E225 WeakPolarHBondContact CG-OE1 3.21Å; R14-E225 IonicContact CZ-OE1 3.48Å; R14-E225 IonicContact CZ-OE2 3.17Å; R14-E225 IonicContact NE-OE1 2.67Å; R14-E225 PolarHBondContact NE-OE1 3.15Å; R14-E225 IonicContact NE-OE2 3.46Å; R14-E225 PolarHBondContact NE-OE2 3.41Å; R14-E225 VanDerWaalsContact NH2-CD 3.34Å; R14-E225 IonicContact NH2-OE1 3.51Å; R14-E225 IonicContact NH2-OE2 3.06Å; R14-E225 PolarHBondContact NH2-OE2 3.21Å; A18-E225 HydrophobicContact CB-CB 4.1Å; A18-E225 HydrophobicContact CB-CG 4.16Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.86Å; E225-I228 PolarHBondContact O-N 3.18Å; E225-R229 PolarHBondContact O-N 3.05Å; E225-R229 VanDerWaalsContact O-N 3.08Å
226Q94Very high96Very high27 Ų2717.7 Ų17.713%0.12610%0.101CC..Hα-helixtrans-66.1-43.8172.7-174.1-174.955.600110.5D223 I228 R229 M230D223-Q226 PolarHBondContact O-N 3.27Å; D223-Q226 VanDerWaalsContact O-N 3.11Å; Q226-I228 VanDerWaalsContact C-N 3.28Å; Q226-I228 PolarHBondContact O-N 3.47Å; Q226-R229 PolarHBondContact O-N 2.73Å; Q226-R229 VanDerWaalsContact O-N 3.15Å; Q226-M230 HydrophobicContact CG-SD 4.43Å; Q226-M230 WeakPolarHBondContact O-CG 3.29Å; Q226-M230 PolarHBondContact O-N 2.98Å
227A95.4Very high95.9Very high0 Ų017.7 Ų17.70%010%0.101CC..Hα-helixtrans-56.8-41.6175.900000112.2F193 M218 G219 D223 F224 M230 G231 S232F193-A227 HydrophobicContact CD2-CB 4.02Å; F193-A227 HydrophobicContact CE2-CB 3.58Å; F193-A227 HydrophobicContact CZ-CB 3.95Å; M218-A227 HydrophobicContact CG-CB 4.22Å; M218-A227 WeakPolarHBondContact O-CB 3.36Å; G219-A227 VanDerWaalsContact CA-CB 3.5Å; D223-A227 PolarHBondContact O-N 3Å; F224-A227 WeakPolarHBondContact O-CB 3.26Å; F224-A227 PolarHBondContact O-N 3.49Å; A227-M230 CarbonylContact O-C 3.57Å; A227-M230 PolarHBondContact O-N 3.32Å; A227-G231 PolarHBondContact O-N 2.93Å; A227-G231 VanDerWaalsContact O-N 3.16Å; A227-S232 VanDerWaalsContact C-CB 3.48Å; A227-S232 WeakPolarHBondContact O-CB 3.39Å; A227-S232 PolarHBondContact O-N 3.38Å
228I96.4Very high95.8Very high2 Ų218.3 Ų18.31%0.0111%0.107CC..Hα-helixtrans-66.1-42.7176.4-69.1165.9000111.5I15 A18 F19 T22 P31 F224 E225 Q226 M230 G231 V235I15-I228 HydrophobicContact CB-CD1 4.14Å; I15-I228 HydrophobicContact CG1-CD1 3.9Å; I15-I228 HydrophobicContact CG2-CD1 3.99Å; A18-I228 HydrophobicContact CB-CB 4.04Å; A18-I228 HydrophobicContact CB-CD1 4.22Å; A18-I228 HydrophobicContact CB-CG2 3.85Å; F19-I228 HydrophobicContact CB-CG2 4.01Å; T22-I228 PolarHBondContact OG1-O 3.24Å; T22-I228 VanDerWaalsContact OG1-O 3.12Å; P31-I228 HydrophobicContact CB-CD1 4.2Å; P31-I228 HydrophobicContact CB-CG1 4.06Å; P31-I228 HydrophobicContact CG-CB 4.35Å; P31-I228 HydrophobicContact CG-CD1 4Å; P31-I228 HydrophobicContact CG-CG1 3.69Å; P31-I228 HydrophobicContact CG-CG2 3.82Å; F224-I228 HydrophobicContact CD2-CD1 3.94Å; F224-I228 WeakPolarHBondContact O-CG1 3.24Å; F224-I228 PolarHBondContact O-N 3.02Å; E225-I228 PolarHBondContact O-N 3.18Å; Q226-I228 VanDerWaalsContact C-N 3.28Å; Q226-I228 PolarHBondContact O-N 3.47Å; I228-M230 PolarHBondContact O-N 2.91Å; I228-G231 PolarHBondContact O-N 3.37Å; I228-V235 HydrophobicContact CD1-CG1 4.04Å; I228-V235 HydrophobicContact CG1-CG1 3.79Å
229R95.1Very high95.6Very high109 Ų10921.3 Ų21.341%0.41113%0.128SC..Hα-helixtrans-62.8-25.4173.5-72.9-171.1-64.5-87.21.6113T22 R26 E225 Q226 G231T22-R229 WeakPolarHBondContact OG1-CA 3.41Å; R26-R229 VanDerWaalsContact CD-O 3.27Å; R26-R229 WeakPolarHBondContact CD-O 3.45Å; E225-R229 PolarHBondContact O-N 3.05Å; E225-R229 VanDerWaalsContact O-N 3.08Å; Q226-R229 PolarHBondContact O-N 2.73Å; Q226-R229 VanDerWaalsContact O-N 3.15Å; R229-G231 VanDerWaalsContact C-N 3.34Å
230M94Very high95.6Very high3 Ų323.1 Ų23.12%0.01514%0.14CC..THydrogen-bonded Turntrans-87.92.8171.7-65.7-170.872.800113.5E189 N190 F193 R194 L197 M218 Q226 A227 I228E189-M230 HydrophobicContact CB-CE 3.82Å; E189-M230 HydrophobicContact CB-SD 4.27Å; E189-M230 HydrophobicContact CG-CE 4.14Å; N190-M230 HydrophobicContact CB-SD 4.01Å; N190-M230 PolarHBondContact N-SD 3.49Å; N190-M230 VanDerWaalsContact N-SD 3.43Å; F193-M230 HydrophobicContact CB-CB 4.41Å; F193-M230 HydrophobicContact CB-CE 3.75Å; F193-M230 HydrophobicContact CB-SD 3.65Å; F193-M230 HydrophobicContact CD2-SD 3.88Å; F193-M230 HydrophobicContact CG-SD 4.29Å; R194-M230 HydrophobicContact CB-CE 4.12Å; L197-M230 HydrophobicContact CD1-CB 4.3Å; L197-M230 HydrophobicContact CD1-CE 4.04Å; L197-M230 WeakPolarHBondContact CD1-O 3.3Å; L197-M230 WeakPolarHBondContact CD2-O 3.34Å; M218-M230 HydrophobicContact CE-CB 4.18Å; Q226-M230 HydrophobicContact CG-SD 4.43Å; Q226-M230 WeakPolarHBondContact O-CG 3.29Å; Q226-M230 PolarHBondContact O-N 2.98Å; A227-M230 CarbonylContact O-C 3.57Å; A227-M230 PolarHBondContact O-N 3.32Å; I228-M230 PolarHBondContact O-N 2.91Å
231G95.4Very high95.7Very high4 Ų420.7 Ų20.74%0.04113%0.128CC..THydrogen-bonded Turntrans93.220.1174.400000115.3A227 I228 R229A227-G231 PolarHBondContact O-N 2.93Å; A227-G231 VanDerWaalsContact O-N 3.16Å; I228-G231 PolarHBondContact O-N 3.37Å; R229-G231 VanDerWaalsContact C-N 3.34Å
232S97.2Very high95.8Very high3 Ų320.2 Ų20.22%0.02112%0.123CC..  trans-58.5136.3169.3-1740000111.1M218 A227 N234M218-S232 PolarHBondContact N-OG 3.42Å; M218-S232 WeakPolarHBondContact O-CB 3.33Å; M218-S232 PolarHBondContact O-OG 3.04Å; A227-S232 VanDerWaalsContact C-CB 3.48Å; A227-S232 WeakPolarHBondContact O-CB 3.39Å; A227-S232 PolarHBondContact O-N 3.38Å; S232-N234 PolarHBondContact OG-N 3.44Å; S232-N234 PolarHBondContact OG-O 3.41Å
233T98.2Very high95.7Very high3 Ų318.6 Ų18.62%0.01811%0.107CC..SBendtrans-107.6-7.317864.30000112.4S28 R29 P31 R32 E215 L216S28-T233 WeakPolarHBondContact OG-CG2 3.37Å; R29-T233 HydrophobicContact CB-CG2 3.89Å; P31-T233 CarbonylContact C-O 3.57Å; P31-T233 WeakPolarHBondContact CA-O 3.18Å; R32-T233 PolarHBondContact N-O 3.49Å; E215-T233 WeakPolarHBondContact CA-OG1 3.48Å; E215-T233 WeakPolarHBondContact CB-OG1 3.4Å; L216-T233 PolarHBondContact N-OG1 3.39Å; L216-T233 CarbonylContact O-C 3.52Å; L216-T233 WeakPolarHBondContact O-CA 3.38Å; L216-T233 PolarHBondContact O-N 2.97Å; L216-T233 PolarHBondContact O-OG1 2.92Å
234N98.7Very high95Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-144.4121.8178.7-68.3-98.6000108.6R32 E215 L216 S217 M218 S232R32-N234 VanDerWaalsContact CD-OD1 3.25Å; R32-N234 WeakPolarHBondContact CD-OD1 3.4Å; R32-N234 PolarHBondContact NH1-OD1 3.06Å; R32-N234 WeakPolarHBondContact O-CA 3.46Å; E215-N234 PolarHBondContact OE2-ND2 2.98Å; L216-N234 PolarHBondContact O-N 3.42Å; S217-N234 WeakPolarHBondContact CA-O 3.48Å; M218-N234 PolarHBondContact N-O 3.42Å; M218-N234 VanDerWaalsContact N-O 3.09Å; M218-N234 VanDerWaalsContact O-O 3.09Å; S232-N234 PolarHBondContact OG-N 3.44Å; S232-N234 PolarHBondContact OG-O 3.41Å
235V98.4Very high93.4Very high0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-117.1137.1176.2-66.50000110.1I15 R32 L33 V34 F224 I228 I237I15-V235 HydrophobicContact CD1-CG2 3.83Å; I15-V235 HydrophobicContact CG1-CG2 4.32Å; R32-V235 PolarHBondContact O-N 3.05Å; L33-V235 HydrophobicContact CD1-CG2 4.25Å; V34-V235 PolarHBondContact N-O 2.71Å; F224-V235 HydrophobicContact CB-CB 3.93Å; F224-V235 HydrophobicContact CB-CG1 3.86Å; I228-V235 HydrophobicContact CD1-CG1 4.04Å; I228-V235 HydrophobicContact CG1-CG1 3.79Å; V235-I237 HydrophobicContact CB-CD1 4.49Å; V235-I237 HydrophobicContact CB-CG1 4.47Å; V235-I237 HydrophobicContact CG2-CD1 4.04Å; V235-I237 HydrophobicContact CG2-CG1 4.4Å
236R98.4Very high91.2Very high12 Ų1234.5 Ų34.55%0.04519%0.189CC..EExtended strand (participates in β ladder)trans-111.594.8-171.1-61.1-178.9-57.4-86.50.5110.4V34 V36 T175 S217 G219 M220V34-R236 HydrophobicContact CB-CG 4.23Å; V34-R236 WeakPolarHBondContact O-CA 3.3Å; V36-R236 HydrophobicContact CG2-CB 3.82Å; T175-R236 PolarHBondContact O-NH2 2.9Å; S217-R236 PolarHBondContact O-NH1 3.31Å; S217-R236 PolarHBondContact OG-NH1 3.41Å; G219-R236 PolarHBondContact O-N 3.06Å; M220-R236 VanDerWaalsContact CA-O 3.31Å; M220-R236 WeakPolarHBondContact CA-O 3.26Å
237I98Very high88.8Confident0 Ų037.8 Ų37.80%022%0.221CC..EExtended strand (participates in β ladder)trans-114.1128.1-168.9-55.8177.7000109.6I11 I15 L33 V34 A35 V36 F224 V235 I241I11-I237 HydrophobicContact CD1-CG2 4.3Å; I11-I237 HydrophobicContact CG2-CD1 3.51Å; I15-I237 HydrophobicContact CD1-CD1 4.44Å; L33-I237 HydrophobicContact CD1-CB 3.9Å; L33-I237 HydrophobicContact CD1-CD1 3.73Å; L33-I237 HydrophobicContact CD1-CG1 3.93Å; V34-I237 PolarHBondContact O-N 3.15Å; A35-I237 CarbonylContact C-O 3.58Å; A35-I237 WeakPolarHBondContact CA-O 3.43Å; V36-I237 PolarHBondContact N-O 3.5Å; F224-I237 HydrophobicContact CB-CD1 4.06Å; F224-I237 HydrophobicContact CB-CG1 4.33Å; F224-I237 HydrophobicContact CD1-CD1 3.63Å; F224-I237 HydrophobicContact CD1-CG1 4.22Å; F224-I237 HydrophobicContact CD2-CD1 3.7Å; F224-I237 HydrophobicContact CE1-CD1 3.9Å; F224-I237 HydrophobicContact CE2-CD1 3.98Å; F224-I237 HydrophobicContact CG-CD1 3.52Å; F224-I237 HydrophobicContact CG-CG1 4.21Å; F224-I237 HydrophobicContact CZ-CD1 4.06Å; V235-I237 HydrophobicContact CB-CD1 4.49Å; V235-I237 HydrophobicContact CB-CG1 4.47Å; V235-I237 HydrophobicContact CG2-CD1 4.04Å; V235-I237 HydrophobicContact CG2-CG1 4.4Å; I237-I241 HydrophobicContact CB-CD1 4.14Å; I237-I241 HydrophobicContact CG2-CD1 4.11Å; I237-I241 HydrophobicContact CG2-CG1 4.03Å; I237-I241 WeakPolarHBondContact O-CD1 3.37Å
238G96.2Very high86.2Confident12 Ų1241.8 Ų41.812%0.12425%0.254CS..  trans-121.4-76.9-177.700000112.6V36 S221 S240 I241 F242V36-G238 WeakPolarHBondContact O-CA 3.36Å; S221-G238 PolarHBondContact OG-N 3.44Å; G238-S240 PolarHBondContact O-N 2.95Å; G238-S240 VanDerWaalsContact O-N 3.15Å; G238-I241 PolarHBondContact O-N 3.31Å; G238-F242 PolarHBondContact O-N 3.34Å
239S93.3Very high83Confident64 Ų6450.4 Ų50.445%0.44829%0.294SS..Hα-helixtrans-53.6-35.7-175.350.50000114.1S221 I241 G243S221-S239 WeakPolarHBondContact CB-OG 3.41Å; S221-S239 PolarHBondContact OG-OG 2.88Å; S239-I241 VanDerWaalsContact C-N 3.26Å; S239-I241 PolarHBondContact O-N 2.92Å; S239-G243 CarbonylContact O-C 3.5Å; S239-G243 WeakPolarHBondContact O-CA 3.46Å; S239-G243 PolarHBondContact O-N 2.93Å
240S94.5Very high80Confident39 Ų3950.4 Ų50.427%0.27331%0.311SS..Hα-helixtrans-72.7-16.6178.3-48.60000114N7 S221 G238N7-S240 WeakPolarHBondContact CB-O 3.5Å; S221-S240 WeakPolarHBondContact CB-OG 3.24Å; G238-S240 PolarHBondContact O-N 2.95Å; G238-S240 VanDerWaalsContact O-N 3.15Å
241I96.9Very high77Confident0 Ų060.9 Ų60.90%037%0.367CS..Hα-helixtrans-94.2-53.9176.1-64.9171.1000109.9I4 N7 L8 I11 L33 A35 I237 G238 S239I4-I241 HydrophobicContact CG2-CG2 4.13Å; N7-I241 WeakPolarHBondContact CB-O 3.38Å; N7-I241 PolarHBondContact ND2-O 3.47Å; L8-I241 HydrophobicContact CD2-CD1 3.79Å; L8-I241 HydrophobicContact CD2-CG1 4.08Å; L8-I241 HydrophobicContact CD2-CG2 3.86Å; L8-I241 HydrophobicContact CG-CG2 3.94Å; I11-I241 HydrophobicContact CG1-CG1 4.26Å; L33-I241 HydrophobicContact CD1-CD1 4.23Å; L33-I241 HydrophobicContact CD2-CD1 4.27Å; A35-I241 HydrophobicContact CB-CD1 3.9Å; I237-I241 HydrophobicContact CB-CD1 4.14Å; I237-I241 HydrophobicContact CG2-CD1 4.11Å; I237-I241 HydrophobicContact CG2-CG1 4.03Å; I237-I241 WeakPolarHBondContact O-CD1 3.37Å; G238-I241 PolarHBondContact O-N 3.31Å; S239-I241 VanDerWaalsContact C-N 3.26Å; S239-I241 PolarHBondContact O-N 2.92Å
242F96Very high76.1Confident15 Ų1563.8 Ų63.87%0.06638%0.384CS..Hα-helixtrans-100.72.1-168.1-59.6-73.1000114.2I4 A35 V36 K40 D44 A48 F56 G238I4-F242 HydrophobicContact CD1-CD1 4Å; I4-F242 HydrophobicContact CD1-CE1 4.42Å; I4-F242 HydrophobicContact CG1-CD1 4.25Å; I4-F242 HydrophobicContact CG2-CD1 4.34Å; I4-F242 HydrophobicContact CG2-CE1 4.19Å; A35-F242 HydrophobicContact CB-CE2 4.05Å; A35-F242 HydrophobicContact CB-CZ 4.16Å; V36-F242 WeakPolarHBondContact O-CD2 3.31Å; K40-F242 HydrophobicContact CD-CB 3.64Å; K40-F242 HydrophobicContact CD-CG 4.25Å; K40-F242 VanDerWaalsContact CE-CB 3.4Å; K40-F242 HydrophobicContact CG-CB 3.88Å; K40-F242 HydrophobicContact CG-CD1 4.37Å; K40-F242 HydrophobicContact CG-CD2 4.31Å; K40-F242 HydrophobicContact CG-CG 3.96Å; K40-F242 PolarHBondContact NZ-O 3.4Å; D44-F242 HydrophobicContact CB-CD1 4Å; D44-F242 HydrophobicContact CB-CE1 4.21Å; A48-F242 HydrophobicContact CB-CE1 3.96Å; A48-F242 HydrophobicContact CB-CZ 4.15Å; F56-F242 HydrophobicContact CE1-CZ 4.17Å; G238-F242 PolarHBondContact O-N 3.34Å
243G88.8Confident75Confident32 Ų3266.9 Ų66.933%0.3340%0.403SS..  trans70.7173.3-170.300000113.4K40 S239K40-G243 PolarHBondContact NZ-O 3Å; S239-G243 CarbonylContact O-C 3.5Å; S239-G243 WeakPolarHBondContact O-CA 3.46Å; S239-G243 PolarHBondContact O-N 2.93Å
244T80.2Confident73.7Confident126 Ų12670.5 Ų70.577%0.77342%0.424SS*.PPolyproline II helixtrans-68.7149.8165.947.90000109.7
245R62.2Low72.3Confident122 Ų12274.6 Ų74.646%0.4645%0.449SS..PPolyproline II helixtrans-85.3141.3164.7-107.1-155.8178.9154.812.4107.7F39 A247F39-R245 VanDerWaalsContact CB-NH1 3.33Å; F39-R245 WeakPolarHBondContact O-CD 3.43Å; F39-R245 WeakPolarHBondContact O-CG 3.37Å; F39-R245 PolarHBondContact O-NE 3.25Å; F39-R245 PolarHBondContact O-NH2 3.13Å; R245-A247 PolarHBondContact O-N 3.3Å
246D47.7Very low70.6Confident152 Ų15279.3 Ų79.381%0.81348%0.477SS*.PPolyproline II helixtrans-63.7119.3147.1-63.9-35.5000105.6A248D246-A248 PolarHBondContact O-N 2.99Å; D246-A248 VanDerWaalsContact O-N 3.17Å
247A43Very low68.8Low96 Ų9683.8 Ų83.879%0.79351%0.506SS*.PPolyproline II helixtrans-51.5127.7171.800000107.1R245 Q249R245-A247 PolarHBondContact O-N 3.3Å; A247-Q249 PolarHBondContact O-N 3.42Å
248A41.8Very low66.7Low84 Ų8489.8 Ų89.869%0.69454%0.542SS*.  trans-39.2127.2-169.600000112D246 S250D246-A248 PolarHBondContact O-N 2.99Å; D246-A248 VanDerWaalsContact O-N 3.17Å; A248-S250 VanDerWaalsContact C-N 3.3Å; A248-S250 PolarHBondContact O-N 3.06Å
249Q29Very low64.4Low182 Ų18295.8 Ų95.885%0.8557%0.574SS**  trans-52.3107.4151.5-75.5177.8-7.100105.7A247 D251A247-Q249 PolarHBondContact O-N 3.42Å; Q249-D251 PolarHBondContact O-N 3.26Å
250S32.9Very low62Low110 Ų11098.4 Ų98.477%0.76959%0.585SS**  trans-68.1104.2163.251.10000106.2A248A248-S250 VanDerWaalsContact C-N 3.3Å; A248-S250 PolarHBondContact O-N 3.06Å
251D31.1Very low59.1Low223 Ų223103.8 Ų103.8100%1.19361%0.613SS**  trans-79.50149.9-74.7-23.2000108.6Q249Q249-D251 PolarHBondContact O-N 3.26Å

Retrieved 251 of 251 residues in 186.9 ms (Link to these results)

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