A0A3B3V5A1_9TELE Loading...

Zinc finger, MYND-type containing 11

AlphaFold DB , UniProt , Accession A0A3B3V5A1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 665 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
1M53.7Low76.1Confident183 Ų183102.1 Ų102.190%0.90150%0.498SS*.  0137.80-81.2175171.900108.6L137M1-L137 HydrophobicContact CE-CD2 4.23Å; M1-L137 HydrophobicContact SD-CD2 4.21Å
2N64.3Low77.4Confident98 Ų9895.8 Ų95.852%0.52447%0.466SS..  trans-69.4135.5-179.6-75.4-8.8000110.9E4 I5N2-E4 PolarHBondContact O-N 3.07Å; N2-I5 HydrophobicContact CB-CD1 4.29Å; N2-I5 HydrophobicContact CB-CG1 4.4Å; N2-I5 PolarHBondContact O-N 3Å
3K64.2Low78.7Confident195 Ų19589.2 Ų89.285%0.84843%0.433SS*.Hα-helixtrans-58.2-32.2176.9-73.4-177.2175.2-179.90112.4M6K3-M6 PolarHBondContact O-N 3.13Å
4E69Low79.9Confident120 Ų12086.9 Ų86.956%0.56142%0.422SS*.Hα-helixtrans-68.1-35.9179.4-63.4170.9-179.700113.2N2 M6 S7 G149N2-E4 PolarHBondContact O-N 3.07Å; E4-M6 VanDerWaalsContact C-N 3.27Å; E4-M6 PolarHBondContact O-N 3.08Å; E4-S7 PolarHBondContact O-N 3.41Å; E4-S7 PolarHBondContact O-OG 3.38Å; E4-G149 WeakPolarHBondContact O-CA 3.02Å
5I74.5Confident80.8Confident25 Ų2581.1 Ų81.113%0.12839%0.393CS..Hα-helixtrans-67.6-34.6176.3-69.5170.6000110.4N2 S7 R8 L137 P146N2-I5 HydrophobicContact CB-CD1 4.29Å; N2-I5 HydrophobicContact CB-CG1 4.4Å; N2-I5 PolarHBondContact O-N 3Å; I5-S7 VanDerWaalsContact C-N 3.26Å; I5-S7 PolarHBondContact O-N 3.5Å; I5-R8 PolarHBondContact O-N 3.42Å; I5-L137 HydrophobicContact CG2-CD1 3.89Å; I5-L137 HydrophobicContact CG2-CD2 3.74Å; I5-P146 WeakPolarHBondContact CD1-O 3.43Å; I5-P146 HydrophobicContact CG1-CG 4.5Å; I5-P146 HydrophobicContact CG2-CG 3.88Å
6M75.3Confident81.6Confident98 Ų9879 Ų7948%0.48339%0.385SS..Hα-helixtrans-66.9-23.5179.5-63.8-62-61.500113.1K3 E4 R8 V9 L137K3-M6 PolarHBondContact O-N 3.13Å; E4-M6 VanDerWaalsContact C-N 3.27Å; E4-M6 PolarHBondContact O-N 3.08Å; M6-R8 PolarHBondContact O-N 2.63Å; M6-V9 PolarHBondContact O-N 2.73Å; M6-L137 HydrophobicContact SD-CD2 4.47Å
7S78.9Confident82.3Confident96 Ų9674.6 Ų74.667%0.67136%0.364SS*.THydrogen-bonded Turntrans-72.6-13.2178.9690000113.9E4 I5E4-S7 PolarHBondContact O-N 3.41Å; E4-S7 PolarHBondContact O-OG 3.38Å; I5-S7 VanDerWaalsContact C-N 3.26Å; I5-S7 PolarHBondContact O-N 3.5Å
8R83.7Confident82.8Confident38 Ų3872.7 Ų72.714%0.14335%0.353CS..THydrogen-bonded Turntrans-88.4-14.2172.3-58.9-170.970.594.4-7.5113.7I5 M6 V10 L126 P127 D129 G149 S151I5-R8 PolarHBondContact O-N 3.42Å; M6-R8 PolarHBondContact O-N 2.63Å; R8-V10 PolarHBondContact O-N 3.46Å; R8-L126 HydrophobicContact CB-CD1 3.4Å; R8-L126 VanDerWaalsContact CB-CD1 3.4Å; R8-L126 HydrophobicContact CG-CD1 4.46Å; R8-P127 WeakPolarHBondContact O-CD 3.31Å; R8-D129 IonicContact CZ-OD2 2.87Å; R8-D129 IonicContact NH2-OD1 3.87Å; R8-D129 PolarHBondContact NH2-OD1 3.35Å; R8-D129 IonicContact NH2-OD2 3.92Å; R8-D129 PolarHBondContact NH2-OD2 3.4Å; R8-G149 VanDerWaalsContact CD-O 3.28Å; R8-G149 WeakPolarHBondContact CD-O 3.44Å; R8-G149 WeakPolarHBondContact CG-O 3.49Å; R8-G149 PolarHBondContact NH1-O 3.5Å; R8-S151 VanDerWaalsContact CZ-O 3.24Å; R8-S151 PolarHBondContact NH1-O 3.1Å; R8-S151 PolarHBondContact NH2-O 3.3Å
9V89.8Confident83.4Confident30 Ų3069.8 Ų69.818%0.18234%0.34CS..  trans-80.4116.9-176.7-176.20000108.2M6 D124 V125M6-V9 PolarHBondContact O-N 2.73Å; V9-D124 VanDerWaalsContact CG1-C 3.44Å; V9-D124 HydrophobicContact CG1-CB 3.75Å; V9-V125 CarbonylContact C-O 3.21Å; V9-V125 WeakPolarHBondContact CA-O 3.21Å
10V92Very high83.9Confident58 Ų5866.4 Ų66.435%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-98.4141.8178.9-58.10000110.5R8 K12 V125 P127R8-V10 PolarHBondContact O-N 3.46Å; V10-K12 HydrophobicContact CG2-CG 4.22Å; V10-K12 PolarHBondContact O-N 3.44Å; V10-V125 HydrophobicContact CG2-CG2 4.27Å; V10-V125 WeakPolarHBondContact CG2-O 3.43Å; V10-V125 PolarHBondContact N-O 2.81Å; V10-V125 PolarHBondContact O-N 3.46Å; V10-P127 HydrophobicContact CG1-CG 4.34Å; V10-P127 HydrophobicContact CG2-CG 4.2Å
11R91.5Very high84.3Confident182 Ų18263.5 Ų63.569%0.68731%0.31SS*.EExtended strand (participates in β ladder)trans-77.9106.6171.4-178.7157-65.7150.65.8109.1D124R11-D124 WeakPolarHBondContact CB-OD1 3.39Å; R11-D124 WeakPolarHBondContact CG-OD1 3.46Å; R11-D124 IonicContact CZ-OD1 3.72Å; R11-D124 IonicContact CZ-OD2 2.84Å; R11-D124 IonicContact NE-OD1 2.92Å; R11-D124 PolarHBondContact NE-OD1 2.79Å; R11-D124 IonicContact NE-OD2 2.72Å; R11-D124 IonicContact NH2-OD1 3.67Å; R11-D124 IonicContact NH2-OD2 3.87Å; R11-D124 PolarHBondContact NH2-OD2 2.82Å
12K92.6Very high86.2Confident27 Ų2757.8 Ų57.812%0.11728%0.279CS..  trans-92.1-162.9165-70.8-70.4-170.9158.70109V10 Q14 E110 H112 D113 G123 V125V10-K12 HydrophobicContact CG2-CG 4.22Å; V10-K12 PolarHBondContact O-N 3.44Å; K12-Q14 PolarHBondContact O-NE2 3.33Å; K12-E110 IonicContact NZ-OE2 3.77Å; K12-E110 PolarHBondContact NZ-OE2 2.98Å; K12-H112 PolarHBondContact NZ-O 3.43Å; K12-D113 WeakPolarHBondContact CE-O 3.5Å; K12-G123 PolarHBondContact N-O 3.48Å; K12-V125 HydrophobicContact CB-CG2 3.85Å; K12-V125 HydrophobicContact CG-CG2 3.41Å; K12-V125 VanDerWaalsContact CG-CG2 3.41Å
13R93.7Very high87.7Confident9 Ų953.1 Ų53.13%0.03425%0.254CS..  trans-51.2149.8177.1-68.3-177.1-178.8163.74.1112.5D67 W114 Y115 P122 G123 R203R13-D67 WeakPolarHBondContact CA-OD1 3.47Å; R13-D67 WeakPolarHBondContact CA-OD2 3.48Å; R13-D67 HydrophobicContact CB-CB 4.45Å; R13-D67 WeakPolarHBondContact CB-OD2 3.28Å; R13-D67 HydrophobicContact CG-CB 4.03Å; R13-W114 HydrophobicContact CB-CB 4.14Å; R13-W114 HydrophobicContact CG-CB 3.84Å; R13-W114 HydrophobicContact CG-CG 3.87Å; R13-W114 VanDerWaalsContact NH2-CZ2 3.29Å; R13-Y115 WeakPolarHBondContact CD-OH 3.14Å; R13-Y115 PolarHBondContact NH1-OH 3.03Å; R13-P122 WeakPolarHBondContact O-CB 3.41Å; R13-G123 PolarHBondContact O-N 2.88Å; R13-R203 PolarHBondContact NH1-O 2.98Å; R13-R203 PolarHBondContact NH2-O 3.13Å
14Q94.9Very high89.1Confident58 Ų5844.1 Ų44.127%0.27121%0.214SC..  trans-123.2-24-176.2-59.1-62.3-54.400112.5K12 L63 D67 G123 D124K12-Q14 PolarHBondContact O-NE2 3.33Å; Q14-L63 HydrophobicContact CB-CD1 4.26Å; Q14-L63 HydrophobicContact CB-CD2 3.9Å; Q14-L63 HydrophobicContact CB-CG 4.45Å; Q14-D67 PolarHBondContact N-OD1 3Å; Q14-D67 PolarHBondContact N-OD2 2.85Å; Q14-G123 VanDerWaalsContact NE2-C 3.29Å; Q14-G123 PolarHBondContact NE2-O 2.87Å; Q14-D124 PolarHBondContact NE2-OD1 3.46Å
15A94Very high90.3Very high0 Ų042 Ų420%021%0.205CC..SBendtrans-69.9138.2176.100000110.8V20 L63 A64 D67 P122A15-V20 HydrophobicContact CB-CG2 3.69Å; A15-L63 HydrophobicContact CB-CB 3.84Å; A15-A64 HydrophobicContact CB-CB 4.23Å; A15-D67 VanDerWaalsContact CB-OD2 3.25Å; A15-D67 WeakPolarHBondContact CB-OD2 3.17Å; A15-D67 PolarHBondContact N-OD2 2.99Å; A15-P122 WeakPolarHBondContact O-CG 3.47Å
16D93.6Very high91.3Very high47 Ų4740.9 Ų40.925%0.25120%0.198SC..  trans-66.7120.9175.3-179.1-56.8000109.3K18 V19 V20D16-K18 PolarHBondContact O-N 3.33Å; D16-K18 VanDerWaalsContact O-N 3.15Å; D16-K18 WeakPolarHBondContact OD1-CA 3.32Å; D16-K18 VanDerWaalsContact OD1-CB 3.24Å; D16-K18 WeakPolarHBondContact OD1-CB 3.37Å; D16-K18 PolarHBondContact OD1-N 2.94Å; D16-V19 HydrophobicContact CB-CB 3.98Å; D16-V19 HydrophobicContact CB-CG2 3.8Å; D16-V19 PolarHBondContact O-N 3.18Å; D16-V19 PolarHBondContact OD1-N 2.88Å; D16-V19 VanDerWaalsContact OD1-N 3.13Å; D16-V20 WeakPolarHBondContact O-CG2 3.29Å; D16-V20 PolarHBondContact O-N 3.36Å
17P93.5Very high92.2Very high5 Ų536.3 Ų36.33%0.03218%0.176CC..Hα-helixtrans-65.5-20.6-173.926.5-34.6000112.9Q21 Y115 L204 I242P17-Q21 VanDerWaalsContact O-CG 3.27Å; P17-Q21 WeakPolarHBondContact O-CG 3.23Å; P17-Q21 PolarHBondContact O-NE2 3.32Å; P17-Y115 HydrophobicContact CB-CE1 3.82Å; P17-Y115 HydrophobicContact CG-CD1 4.17Å; P17-Y115 HydrophobicContact CG-CE1 3.76Å; P17-L204 HydrophobicContact CB-CD2 4.17Å; P17-I242 HydrophobicContact CB-CG2 3.75Å; P17-I242 HydrophobicContact CG-CG2 4.17Å
18K91.4Very high92.9Very high40 Ų4034.6 Ų34.617%0.17416%0.157CC..Hα-helixtrans-78.2-41.8172.8-173.263.4178.3-159.40111.1D16 Q21 Y22 L243 Y244D16-K18 PolarHBondContact O-N 3.33Å; D16-K18 VanDerWaalsContact O-N 3.15Å; D16-K18 WeakPolarHBondContact OD1-CA 3.32Å; D16-K18 VanDerWaalsContact OD1-CB 3.24Å; D16-K18 WeakPolarHBondContact OD1-CB 3.37Å; D16-K18 PolarHBondContact OD1-N 2.94Å; K18-Q21 WeakPolarHBondContact O-CB 3.47Å; K18-Q21 PolarHBondContact O-N 2.9Å; K18-Y22 WeakPolarHBondContact CE-OH 3.41Å; K18-Y22 HydrophobicContact CG-CE2 3.97Å; K18-Y22 PolarHBondContact O-N 3.44Å; K18-L243 PolarHBondContact NZ-O 3.24Å; K18-Y244 VanDerWaalsContact CE-O 3.32Å; K18-Y244 WeakPolarHBondContact CE-O 3.46Å; K18-Y244 PolarHBondContact NZ-O 2.84Å
19V93.3Very high93.4Very high17 Ų1735 Ų3510%0.10316%0.164CC..Hα-helixtrans-65.1-38.9177.1177.30000111.8D16 Q21 Y22 V23 M52 Q60D16-V19 HydrophobicContact CB-CB 3.98Å; D16-V19 HydrophobicContact CB-CG2 3.8Å; D16-V19 PolarHBondContact O-N 3.18Å; D16-V19 PolarHBondContact OD1-N 2.88Å; D16-V19 VanDerWaalsContact OD1-N 3.13Å; V19-Q21 PolarHBondContact O-N 2.88Å; V19-Y22 WeakPolarHBondContact O-CB 3.26Å; V19-Y22 PolarHBondContact O-N 2.7Å; V19-V23 HydrophobicContact CG1-CG2 4.33Å; V19-V23 WeakPolarHBondContact O-CG2 3.47Å; V19-V23 PolarHBondContact O-N 2.87Å; V19-M52 HydrophobicContact CB-CE 4.45Å; V19-M52 HydrophobicContact CG1-CE 3.45Å; V19-M52 VanDerWaalsContact CG1-CE 3.45Å; V19-M52 HydrophobicContact CG1-SD 4.03Å; V19-M52 HydrophobicContact CG2-CE 4.13Å; V19-Q60 HydrophobicContact CB-CB 4.47Å; V19-Q60 HydrophobicContact CB-CG 4.39Å; V19-Q60 HydrophobicContact CG1-CB 3.56Å; V19-Q60 HydrophobicContact CG1-CG 3.81Å
20V94Very high93.5Very high2 Ų234 Ų341%0.01216%0.157CC..Hα-helixtrans-54.4-40.6174.5170.50000111.2A15 D16 Y22 V23 W24 A64 L69 L204A15-V20 HydrophobicContact CB-CG2 3.69Å; D16-V20 WeakPolarHBondContact O-CG2 3.29Å; D16-V20 PolarHBondContact O-N 3.36Å; V20-Y22 PolarHBondContact O-N 3.22Å; V20-V23 WeakPolarHBondContact O-CB 3.44Å; V20-V23 PolarHBondContact O-N 3.23Å; V20-W24 PolarHBondContact O-N 3.11Å; V20-A64 HydrophobicContact CG2-CB 4.04Å; V20-L69 HydrophobicContact CB-CD1 4.5Å; V20-L69 HydrophobicContact CG1-CB 3.96Å; V20-L69 HydrophobicContact CG1-CD1 4.09Å; V20-L69 HydrophobicContact CG2-CD1 3.84Å; V20-L204 HydrophobicContact CG1-CD2 4.38Å
21Q92.7Very high93.4Very high6 Ų633.8 Ų33.83%0.02815%0.15CC..Hα-helixtrans-65.4-38.8178.6-58.2169.853.600112.1P17 K18 V19 V23 W24 E25 M200 L204 I242 L243P17-Q21 VanDerWaalsContact O-CG 3.27Å; P17-Q21 WeakPolarHBondContact O-CG 3.23Å; P17-Q21 PolarHBondContact O-NE2 3.32Å; K18-Q21 WeakPolarHBondContact O-CB 3.47Å; K18-Q21 PolarHBondContact O-N 2.9Å; V19-Q21 PolarHBondContact O-N 2.88Å; Q21-V23 VanDerWaalsContact C-N 3.35Å; Q21-W24 PolarHBondContact O-N 3.07Å; Q21-E25 PolarHBondContact O-N 3.12Å; Q21-M200 HydrophobicContact CB-CE 3.99Å; Q21-M200 HydrophobicContact CB-SD 3.86Å; Q21-M200 HydrophobicContact CG-CE 3.63Å; Q21-M200 HydrophobicContact CG-SD 3.56Å; Q21-M200 VanDerWaalsContact CG-SD 3.56Å; Q21-L204 HydrophobicContact CG-CD1 3.62Å; Q21-I242 PolarHBondContact NE2-O 3.28Å; Q21-L243 PolarHBondContact NE2-O 3.37Å; Q21-L243 PolarHBondContact OE1-O 3.09Å
22Y94.5Very high93.4Very high63 Ų6331.5 Ų31.525%0.24715%0.152CC..Hα-helixtrans-65.5-39.7173.9-56.4-37.8000111.7K18 V19 V20 E25 A26 L46 F50 M52K18-Y22 WeakPolarHBondContact CE-OH 3.41Å; K18-Y22 HydrophobicContact CG-CE2 3.97Å; K18-Y22 PolarHBondContact O-N 3.44Å; V19-Y22 WeakPolarHBondContact O-CB 3.26Å; V19-Y22 PolarHBondContact O-N 2.7Å; V20-Y22 PolarHBondContact O-N 3.22Å; Y22-E25 PolarHBondContact O-N 3.33Å; Y22-A26 WeakPolarHBondContact O-CB 3.35Å; Y22-A26 PolarHBondContact O-N 3.33Å; Y22-L46 WeakPolarHBondContact O-CD2 3.41Å; Y22-F50 AromaticContact CD1-CD1 3.69Å; Y22-F50 HydrophobicContact CD1-CD1 3.69Å; Y22-F50 AromaticContact CD1-CD2 3.99Å; Y22-F50 HydrophobicContact CD1-CD2 3.99Å; Y22-F50 AromaticContact CD1-CE1 3.44Å; Y22-F50 HydrophobicContact CD1-CE1 3.44Å; Y22-F50 VanDerWaalsContact CD1-CE1 3.44Å; Y22-F50 AromaticContact CD1-CE2 3.75Å; Y22-F50 HydrophobicContact CD1-CE2 3.75Å; Y22-F50 AromaticContact CD1-CG 3.96Å; Y22-F50 HydrophobicContact CD1-CG 3.96Å; Y22-F50 AromaticContact CD1-CZ 3.48Å; Y22-F50 HydrophobicContact CD1-CZ 3.48Å; Y22-F50 VanDerWaalsContact CD1-CZ 3.48Å; Y22-F50 HydrophobicContact CD2-CB 4.48Å; Y22-F50 HydrophobicContact CD2-CD2 4.44Å; Y22-F50 HydrophobicContact CD2-CG 4.25Å; Y22-F50 AromaticContact CE1-CD1 3.62Å; Y22-F50 HydrophobicContact CE1-CD1 3.62Å; Y22-F50 AromaticContact CE1-CE1 3.54Å; Y22-F50 HydrophobicContact CE1-CE1 3.54Å; Y22-F50 HydrophobicContact CE1-CG 4.24Å; Y22-F50 HydrophobicContact CE1-CZ 4.07Å; Y22-F50 HydrophobicContact CG-CD1 4.16Å; Y22-F50 AromaticContact CG-CD2 3.84Å; Y22-F50 HydrophobicContact CG-CD2 3.84Å; Y22-F50 HydrophobicContact CG-CE1 4.26Å; Y22-F50 AromaticContact CG-CE2 3.91Å; Y22-F50 HydrophobicContact CG-CE2 3.91Å; Y22-F50 AromaticContact CG-CG 3.96Å; Y22-F50 HydrophobicContact CG-CG 3.96Å; Y22-F50 HydrophobicContact CG-CZ 4.13Å; Y22-M52 HydrophobicContact CD2-SD 4.13Å
23V95Very high93.3Very high0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-62.6-42.1175.2169.60000111V19 V20 Q21 A26 I27 L46 L61 V70V19-V23 HydrophobicContact CG1-CG2 4.33Å; V19-V23 WeakPolarHBondContact O-CG2 3.47Å; V19-V23 PolarHBondContact O-N 2.87Å; V20-V23 WeakPolarHBondContact O-CB 3.44Å; V20-V23 PolarHBondContact O-N 3.23Å; Q21-V23 VanDerWaalsContact C-N 3.35Å; V23-A26 WeakPolarHBondContact O-CB 3.38Å; V23-A26 PolarHBondContact O-N 2.86Å; V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.29Å; V23-I27 PolarHBondContact O-N 2.98Å; V23-L46 HydrophobicContact CG2-CD1 3.84Å; V23-L61 HydrophobicContact CG1-CD1 3.6Å; V23-V70 HydrophobicContact CG1-CG2 3.83Å
24W93.9Very high93Very high5 Ų543.5 Ų43.52%0.01921%0.206CC..Hα-helixtrans-60.2-52.6174.6-82.442.9000111.6V20 Q21 A26 I27 E28 L69 L92 P93 P199 M200V20-W24 PolarHBondContact O-N 3.11Å; Q21-W24 PolarHBondContact O-N 3.07Å; W24-A26 PolarHBondContact O-N 2.85Å; W24-I27 PolarHBondContact O-N 3.07Å; W24-E28 WeakPolarHBondContact O-CG 3.29Å; W24-E28 PolarHBondContact O-N 3.36Å; W24-L69 PolarHBondContact NE1-O 3.11Å; W24-L92 HydrophobicContact CB-CD2 4.03Å; W24-L92 HydrophobicContact CD2-CD2 3.63Å; W24-L92 HydrophobicContact CE3-CD1 3.92Å; W24-L92 HydrophobicContact CE3-CD2 3.9Å; W24-L92 HydrophobicContact CE3-CG 4.42Å; W24-L92 HydrophobicContact CG-CD2 3.68Å; W24-L92 HydrophobicContact CZ3-CD1 4.15Å; W24-P93 HydrophobicContact CZ2-CG 4.33Å; W24-P199 HydrophobicContact CZ3-CB 4.45Å; W24-M200 HydrophobicContact CB-SD 4.03Å; W24-M200 HydrophobicContact CD2-CB 4.28Å; W24-M200 HydrophobicContact CD2-CG 3.92Å; W24-M200 HydrophobicContact CD2-SD 3.81Å; W24-M200 HydrophobicContact CE3-CB 3.63Å; W24-M200 HydrophobicContact CE3-CG 3.79Å; W24-M200 HydrophobicContact CE3-SD 3.85Å; W24-M200 HydrophobicContact CG-SD 3.93Å; W24-M200 HydrophobicContact CH2-CB 4.06Å; W24-M200 HydrophobicContact CH2-CG 4.36Å; W24-M200 HydrophobicContact CZ2-CG 4.47Å; W24-M200 HydrophobicContact CZ3-CB 3.51Å; W24-M200 HydrophobicContact CZ3-CG 4.03Å
25E93.7Very high92.6Very high77 Ų7744.4 Ų44.436%0.3621%0.21SC..Hα-helixtrans-57-38.2177.3-171.3178.7158.800111.8Q21 Y22 V29 F50Q21-E25 PolarHBondContact O-N 3.12Å; Y22-E25 PolarHBondContact O-N 3.33Å; E25-V29 WeakPolarHBondContact O-CB 3.11Å; E25-V29 VanDerWaalsContact O-CG2 3.27Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 2.86Å; E25-F50 WeakPolarHBondContact OE2-CZ 3.45Å
26A95.9Very high92.3Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-64.1-46.4173.200000112.4Y22 V23 W24 I30 I42 Y45 L46Y22-A26 WeakPolarHBondContact O-CB 3.35Å; Y22-A26 PolarHBondContact O-N 3.33Å; V23-A26 WeakPolarHBondContact O-CB 3.38Å; V23-A26 PolarHBondContact O-N 2.86Å; W24-A26 PolarHBondContact O-N 2.85Å; A26-I30 WeakPolarHBondContact O-CB 3.41Å; A26-I30 WeakPolarHBondContact O-CD1 3.38Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.47Å; A26-I42 HydrophobicContact CB-CG2 4.3Å; A26-Y45 HydrophobicContact CB-CD1 3.41Å; A26-Y45 VanDerWaalsContact CB-CD1 3.41Å; A26-Y45 HydrophobicContact CB-CE1 3.95Å; A26-Y45 HydrophobicContact CB-CG 4.02Å; A26-L46 HydrophobicContact CB-CD2 4.05Å; A26-L46 HydrophobicContact CB-CG 4.33Å
27I94.3Very high92.3Very high3 Ų343.1 Ų43.12%0.01520%0.203CC..Hα-helixtrans-61.5-50178-70.1166.4000110V23 W24 V29 I30 R31 A37 I42 V70 L92V23-I27 HydrophobicContact CG1-CD1 3.87Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.29Å; V23-I27 PolarHBondContact O-N 2.98Å; W24-I27 PolarHBondContact O-N 3.07Å; I27-V29 PolarHBondContact O-N 3.36Å; I27-I30 PolarHBondContact O-N 2.89Å; I27-R31 HydrophobicContact CG2-CG 3.97Å; I27-R31 WeakPolarHBondContact O-CB 3.2Å; I27-R31 WeakPolarHBondContact O-CG 3.35Å; I27-R31 PolarHBondContact O-N 2.92Å; I27-A37 HydrophobicContact CB-CB 4.33Å; I27-A37 HydrophobicContact CG1-CB 4.06Å; I27-A37 HydrophobicContact CG2-CB 4.21Å; I27-I42 HydrophobicContact CD1-CD1 4.47Å; I27-I42 HydrophobicContact CG1-CD1 3.92Å; I27-I42 HydrophobicContact CG1-CG1 4.39Å; I27-V70 HydrophobicContact CD1-CG1 3.86Å; I27-V70 HydrophobicContact CD1-CG2 4.22Å; I27-L92 HydrophobicContact CB-CD2 4.09Å; I27-L92 HydrophobicContact CD1-CD2 4.32Å; I27-L92 HydrophobicContact CG2-CD2 3.91Å; I27-L92 HydrophobicContact CG2-CG 4.17Å
28E92.9Very high92.2Very high59 Ų5943.6 Ų43.628%0.27621%0.205SC..Hα-helixtrans-54.5-52177.9-71170.9179.800111.5W24 I30 R31 N32 L92 H198W24-E28 WeakPolarHBondContact O-CG 3.29Å; W24-E28 PolarHBondContact O-N 3.36Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 2.99Å; E28-R31 PolarHBondContact O-N 3.43Å; E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.48Å; E28-N32 PolarHBondContact O-N 2.57Å; E28-N32 PolarHBondContact O-ND2 2.8Å; E28-L92 HydrophobicContact CG-CD1 3.76Å; E28-H198 IonicContact OE1-CE1 3.39Å
29V94.4Very high92.3Very high46 Ų4644 Ų4428%0.27921%0.209SC..Hα-helixtrans-62.9-38.8-179.3171.90000112.1E25 I27 Q33 Y45E25-V29 WeakPolarHBondContact O-CB 3.11Å; E25-V29 VanDerWaalsContact O-CG2 3.27Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 2.86Å; I27-V29 PolarHBondContact O-N 3.36Å; V29-Q33 WeakPolarHBondContact O-CG 3.39Å; V29-Q33 PolarHBondContact O-N 3.39Å; V29-Q33 PolarHBondContact O-NE2 2.8Å; V29-Y45 HydrophobicContact CB-CE2 4.04Å; V29-Y45 HydrophobicContact CG1-CD2 4.36Å; V29-Y45 HydrophobicContact CG1-CE2 3.78Å; V29-Y45 HydrophobicContact CG2-CE2 4.27Å
30I92.8Very high92.3Very high9 Ų947.6 Ų47.65%0.04623%0.227CC..Hα-helixtrans-71.3-40.3178.4-63.3159.8000111.1A26 I27 E28 Q33 Q35 A37 R41 I42A26-I30 WeakPolarHBondContact O-CB 3.41Å; A26-I30 WeakPolarHBondContact O-CD1 3.38Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 3.47Å; I27-I30 PolarHBondContact O-N 2.89Å; E28-I30 VanDerWaalsContact C-N 3.34Å; E28-I30 PolarHBondContact O-N 2.99Å; I30-Q33 WeakPolarHBondContact O-CB 3.35Å; I30-Q33 PolarHBondContact O-N 3.3Å; I30-Q35 HydrophobicContact CG2-CB 3.79Å; I30-Q35 PolarHBondContact O-N 2.8Å; I30-A37 HydrophobicContact CB-CB 4.11Å; I30-A37 HydrophobicContact CD1-CB 4.21Å; I30-A37 HydrophobicContact CG2-CB 4.03Å; I30-R41 HydrophobicContact CD1-CB 3.67Å; I30-R41 HydrophobicContact CG1-CB 4.34Å; I30-I42 HydrophobicContact CD1-CG1 3.86Å
31R88.6Confident92.4Very high55 Ų5551.3 Ų51.321%0.20824%0.241CC..Hα-helixtrans-71.2-37.4-179.9-67.1-72.6176.21724.4111.9I27 E28 Q33 K34 A37 Y90 W91I27-R31 HydrophobicContact CG2-CG 3.97Å; I27-R31 WeakPolarHBondContact O-CB 3.2Å; I27-R31 WeakPolarHBondContact O-CG 3.35Å; I27-R31 PolarHBondContact O-N 2.92Å; E28-R31 PolarHBondContact O-N 3.43Å; R31-Q33 PolarHBondContact O-N 3.28Å; R31-K34 VanDerWaalsContact O-CA 3.3Å; R31-K34 WeakPolarHBondContact O-CA 3.48Å; R31-K34 PolarHBondContact O-N 3.47Å; R31-A37 HydrophobicContact CG-CB 4.4Å; R31-Y90 PolarHBondContact NE-O 3.05Å; R31-Y90 PolarHBondContact NH2-O 2.89Å; R31-W91 VanDerWaalsContact NH1-CZ2 3.33Å; R31-W91 VanDerWaalsContact NH2-CD2 3.32Å
32N91.4Very high92.5Very high134 Ų13451 Ų5172%0.71724%0.24SC*.Hα-helixtrans-61.2-29171.4-74.7-25.2000112.6E28 K34E28-N32 VanDerWaalsContact O-CB 3.27Å; E28-N32 WeakPolarHBondContact O-CB 3.48Å; E28-N32 PolarHBondContact O-N 2.57Å; E28-N32 PolarHBondContact O-ND2 2.8Å; N32-K34 PolarHBondContact O-N 2.73Å
33Q90.8Very high92.6Very high116 Ų11648.7 Ų48.754%0.54223%0.233SC..THydrogen-bonded Turntrans-78.47.8170.3-66.5170.12700113.6V29 I30 R31 Q35V29-Q33 WeakPolarHBondContact O-CG 3.39Å; V29-Q33 PolarHBondContact O-N 3.39Å; V29-Q33 PolarHBondContact O-NE2 2.8Å; I30-Q33 WeakPolarHBondContact O-CB 3.35Å; I30-Q33 PolarHBondContact O-N 3.3Å; R31-Q33 PolarHBondContact O-N 3.28Å; Q33-Q35 HydrophobicContact CB-CG 4.31Å; Q33-Q35 PolarHBondContact O-N 2.84Å
34K86.9Confident92.7Very high171 Ų17155.4 Ų55.474%0.74326%0.262SS*.THydrogen-bonded Turntrans55.736.2-176-55.2-175.9-179.8-176.80112.6R31 N32R31-K34 VanDerWaalsContact O-CA 3.3Å; R31-K34 WeakPolarHBondContact O-CA 3.48Å; R31-K34 PolarHBondContact O-N 3.47Å; N32-K34 PolarHBondContact O-N 2.73Å
35Q87.9Confident92.8Very high77 Ų7756.4 Ų56.436%0.3627%0.266SS..  trans-112.3153.9175.6-59.8-169.818.700111.3I30 Q33 A37 R41I30-Q35 HydrophobicContact CG2-CB 3.79Å; I30-Q35 PolarHBondContact O-N 2.8Å; Q33-Q35 HydrophobicContact CB-CG 4.31Å; Q33-Q35 PolarHBondContact O-N 2.84Å; Q35-A37 PolarHBondContact O-N 2.83Å; Q35-R41 VanDerWaalsContact OE1-CZ 3.29Å
36I87Confident92.9Very high21 Ų2152.8 Ų52.811%0.10825%0.249CC..  trans-69.9121.2169.4-60.6173.4000108.5N38 R41 T75I36-N38 HydrophobicContact CG2-CB 4.49Å; I36-N38 PolarHBondContact O-N 2.87Å; I36-N38 VanDerWaalsContact O-N 3.14Å; I36-R41 WeakPolarHBondContact O-CD 3.34Å; I36-R41 PolarHBondContact O-NH1 1.86Å; I36-T75 HydrophobicContact CD1-CG2 3.62Å; I36-T75 HydrophobicContact CG1-CG2 3.99Å
37A93.1Very high92.9Very high0 Ų054.8 Ų54.80%026%0.263CS..  trans-70.6103.4166.800000108.6I27 I30 R31 Q35 I42 Y90I27-A37 HydrophobicContact CB-CB 4.33Å; I27-A37 HydrophobicContact CG1-CB 4.06Å; I27-A37 HydrophobicContact CG2-CB 4.21Å; I30-A37 HydrophobicContact CB-CB 4.11Å; I30-A37 HydrophobicContact CD1-CB 4.21Å; I30-A37 HydrophobicContact CG2-CB 4.03Å; R31-A37 HydrophobicContact CG-CB 4.4Å; Q35-A37 PolarHBondContact O-N 2.83Å; A37-I42 HydrophobicContact CB-CD1 4.16Å; A37-I42 HydrophobicContact CB-CG1 4.28Å; A37-Y90 WeakPolarHBondContact O-CD2 3.23Å; A37-Y90 PolarHBondContact O-N 3.24Å
38N92.9Very high93Very high14 Ų1463.9 Ų63.98%0.07530%0.297CS..  trans-115.8167.2176.267.73.8000110.1I36 D40 R41 I42 E88I36-N38 HydrophobicContact CG2-CB 4.49Å; I36-N38 PolarHBondContact O-N 2.87Å; I36-N38 VanDerWaalsContact O-N 3.14Å; N38-D40 VanDerWaalsContact C-N 3.27Å; N38-D40 PolarHBondContact O-N 2.95Å; N38-R41 PolarHBondContact O-N 3.19Å; N38-R41 WeakPolarHBondContact OD1-CB 2.96Å; N38-R41 WeakPolarHBondContact OD1-CD 3.18Å; N38-R41 VanDerWaalsContact OD1-CG 3.26Å; N38-R41 WeakPolarHBondContact OD1-CG 3.46Å; N38-R41 PolarHBondContact OD1-N 3.39Å; N38-I42 WeakPolarHBondContact O-CG1 3.48Å; N38-I42 PolarHBondContact O-N 3Å; N38-E88 VanDerWaalsContact CB-O 3.22Å; N38-E88 WeakPolarHBondContact CB-O 3.41Å
39M93.3Very high93.2Very high50 Ų5064.2 Ų64.225%0.24630%0.303CS..Hα-helixtrans-50.6-44.9-177.2-178.365.777.300112.7R41 S43 A58 L61 Y90M39-R41 PolarHBondContact O-N 2.63Å; M39-S43 WeakPolarHBondContact O-CB 3.45Å; M39-S43 PolarHBondContact O-N 2.89Å; M39-A58 HydrophobicContact CE-CB 3.79Å; M39-A58 HydrophobicContact SD-CB 3.76Å; M39-L61 HydrophobicContact CE-CB 4.37Å; M39-L61 HydrophobicContact CE-CD2 3.73Å; M39-L61 HydrophobicContact CE-CG 4.4Å; M39-L61 HydrophobicContact SD-CD2 3.82Å; M39-Y90 HydrophobicContact CB-CE2 4.3Å
40D93.1Very high93.1Very high91 Ų9165 Ų6549%0.48730%0.302SS..Hα-helixtrans-58.2-47.9177.9-85.1-33.4000113.1N38 K44N38-D40 VanDerWaalsContact C-N 3.27Å; N38-D40 PolarHBondContact O-N 2.95Å; D40-K44 WeakPolarHBondContact O-CB 3.31Å; D40-K44 WeakPolarHBondContact O-CD 3.41Å; D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.2Å
41R94.5Very high93.1Very high81 Ų8167.6 Ų67.631%0.30633%0.332SS..Hα-helixtrans-71.9-44.2-177.7-74.1169.4168.6129.33.1111.2I30 Q35 I36 N38 M39 K44 Y45I30-R41 HydrophobicContact CD1-CB 3.67Å; I30-R41 HydrophobicContact CG1-CB 4.34Å; Q35-R41 VanDerWaalsContact OE1-CZ 3.29Å; I36-R41 WeakPolarHBondContact O-CD 3.34Å; I36-R41 PolarHBondContact O-NH1 1.86Å; N38-R41 PolarHBondContact O-N 3.19Å; N38-R41 WeakPolarHBondContact OD1-CB 2.96Å; N38-R41 WeakPolarHBondContact OD1-CD 3.18Å; N38-R41 VanDerWaalsContact OD1-CG 3.26Å; N38-R41 WeakPolarHBondContact OD1-CG 3.46Å; N38-R41 PolarHBondContact OD1-N 3.39Å; M39-R41 PolarHBondContact O-N 2.63Å; R41-K44 PolarHBondContact O-N 2.84Å; R41-Y45 WeakPolarHBondContact O-CB 3.32Å; R41-Y45 PolarHBondContact O-N 2.78Å
42I96.1Very high93.4Very high0 Ų066.1 Ų66.10%033%0.328CS..Hα-helixtrans-59.9-49.6176.3-66.8168.1000109.2A26 I27 I30 A37 N38 K44 Y45 L46 T57 L61 Y90A26-I42 HydrophobicContact CB-CG2 4.3Å; I27-I42 HydrophobicContact CD1-CD1 4.47Å; I27-I42 HydrophobicContact CG1-CD1 3.92Å; I27-I42 HydrophobicContact CG1-CG1 4.39Å; I30-I42 HydrophobicContact CD1-CG1 3.86Å; A37-I42 HydrophobicContact CB-CD1 4.16Å; A37-I42 HydrophobicContact CB-CG1 4.28Å; N38-I42 WeakPolarHBondContact O-CG1 3.48Å; N38-I42 PolarHBondContact O-N 3Å; I42-K44 PolarHBondContact O-N 2.92Å; I42-Y45 PolarHBondContact O-N 2.87Å; I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.21Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 3.21Å; I42-T57 HydrophobicContact CG2-CG2 4.09Å; I42-L61 HydrophobicContact CD1-CD2 3.97Å; I42-L61 HydrophobicContact CG2-CD2 4.46Å; I42-Y90 HydrophobicContact CD1-CD2 3.82Å; I42-Y90 HydrophobicContact CD1-CG 4Å
43S96.4Very high93.6Very high14 Ų1465.3 Ų65.310%0.09832%0.319CS..Hα-helixtrans-59.9-44.3176.9-174.10000112.8M39 Y45 L46 S47 P54M39-S43 WeakPolarHBondContact O-CB 3.45Å; M39-S43 PolarHBondContact O-N 2.89Å; S43-Y45 VanDerWaalsContact C-N 3.33Å; S43-Y45 PolarHBondContact O-N 3.42Å; S43-L46 PolarHBondContact O-N 2.94Å; S43-S47 VanDerWaalsContact O-CB 3.3Å; S43-S47 WeakPolarHBondContact O-CB 3.34Å; S43-S47 PolarHBondContact O-N 2.89Å; S43-S47 PolarHBondContact O-OG 2.86Å; S43-P54 WeakPolarHBondContact OG-CA 3.3Å; S43-P54 VanDerWaalsContact OG-CB 3.26Å; S43-P54 WeakPolarHBondContact OG-CB 3.46Å
44K96.3Very high93.7Very high140 Ų14062.8 Ų62.861%0.60931%0.313SS*.Hα-helixtrans-63.3-39.3177.2-75.9165.3-173.3166.10112.2D40 R41 I42 R48D40-K44 WeakPolarHBondContact O-CB 3.31Å; D40-K44 WeakPolarHBondContact O-CD 3.41Å; D40-K44 WeakPolarHBondContact O-CG 3.46Å; D40-K44 PolarHBondContact O-N 3.2Å; R41-K44 PolarHBondContact O-N 2.84Å; I42-K44 PolarHBondContact O-N 2.92Å; K44-R48 VanDerWaalsContact O-CB 3.27Å; K44-R48 WeakPolarHBondContact O-CB 2.99Å; K44-R48 PolarHBondContact O-N 3.22Å
45Y96.6Very high94.1Very high27 Ų2762.6 Ų62.611%0.10631%0.312CS..Hα-helixtrans-65.2-53.5176.1-176.6-84.9000110.9A26 V29 R41 I42 S43 S47 R48 V49 F50A26-Y45 HydrophobicContact CB-CD1 3.41Å; A26-Y45 VanDerWaalsContact CB-CD1 3.41Å; A26-Y45 HydrophobicContact CB-CE1 3.95Å; A26-Y45 HydrophobicContact CB-CG 4.02Å; V29-Y45 HydrophobicContact CB-CE2 4.04Å; V29-Y45 HydrophobicContact CG1-CD2 4.36Å; V29-Y45 HydrophobicContact CG1-CE2 3.78Å; V29-Y45 HydrophobicContact CG2-CE2 4.27Å; R41-Y45 WeakPolarHBondContact O-CB 3.32Å; R41-Y45 PolarHBondContact O-N 2.78Å; I42-Y45 PolarHBondContact O-N 2.87Å; S43-Y45 VanDerWaalsContact C-N 3.33Å; S43-Y45 PolarHBondContact O-N 3.42Å; Y45-S47 PolarHBondContact O-N 3.33Å; Y45-R48 PolarHBondContact O-N 3.47Å; Y45-R48 VanDerWaalsContact O-N 3.09Å; Y45-V49 HydrophobicContact CD1-CG2 4.23Å; Y45-V49 HydrophobicContact CD2-CG2 4.25Å; Y45-V49 HydrophobicContact CE1-CB 4.17Å; Y45-V49 HydrophobicContact CE1-CG1 4.45Å; Y45-V49 HydrophobicContact CE1-CG2 3.94Å; Y45-V49 HydrophobicContact CE2-CG2 3.95Å; Y45-V49 HydrophobicContact CG-CG2 4.38Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.43Å; Y45-F50 AromaticContact CE1-CE2 3.93Å; Y45-F50 HydrophobicContact CE1-CE2 3.93Å
46L96Very high94.3Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-63-38.4-178.6-66-175.4000113.1Y22 V23 A26 I42 S43 R48 F50 G51 M52 T57Y22-L46 WeakPolarHBondContact O-CD2 3.41Å; V23-L46 HydrophobicContact CG2-CD1 3.84Å; A26-L46 HydrophobicContact CB-CD2 4.05Å; A26-L46 HydrophobicContact CB-CG 4.33Å; I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.21Å; I42-L46 WeakPolarHBondContact O-CB 3.44Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 3.21Å; S43-L46 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-F50 HydrophobicContact CD2-CD2 3.56Å; L46-F50 HydrophobicContact CD2-CE2 3.91Å; L46-F50 CarbonylContact O-C 3.47Å; L46-F50 WeakPolarHBondContact O-CA 3.47Å; L46-F50 PolarHBondContact O-N 3.12Å; L46-G51 PolarHBondContact O-N 3.33Å; L46-M52 HydrophobicContact CB-CB 4.04Å; L46-M52 HydrophobicContact CB-CG 4.48Å; L46-M52 HydrophobicContact CB-SD 4.19Å; L46-M52 HydrophobicContact CD1-SD 3.96Å; L46-M52 HydrophobicContact CD2-SD 4.4Å; L46-M52 HydrophobicContact CG-SD 4.43Å; L46-M52 PolarHBondContact O-N 3.39Å; L46-T57 HydrophobicContact CD1-CG2 3.46Å; L46-T57 VanDerWaalsContact CD1-CG2 3.46Å; L46-T57 HydrophobicContact CG-CG2 4.46Å
47S95.9Very high94.7Very high42 Ų4261 Ų6129%0.29430%0.304SS..Hα-helixtrans-64.6-36.6173.5-62.90000112.6S43 Y45 G51 M52S43-S47 VanDerWaalsContact O-CB 3.3Å; S43-S47 WeakPolarHBondContact O-CB 3.34Å; S43-S47 PolarHBondContact O-N 2.89Å; S43-S47 PolarHBondContact O-OG 2.86Å; Y45-S47 PolarHBondContact O-N 3.33Å; S47-G51 WeakPolarHBondContact O-CA 3.19Å; S47-G51 PolarHBondContact O-N 3.12Å; S47-M52 VanDerWaalsContact CA-O 3.27Å; S47-M52 WeakPolarHBondContact CA-O 3.48Å; S47-M52 WeakPolarHBondContact CB-O 3.4Å; S47-M52 PolarHBondContact OG-O 2.85Å
48R96.4Very high94.8Very high194 Ų19462.7 Ų62.773%0.73232%0.318SS*.Hα-helixtrans-79.3-40-178.1-177.4-179.164.7178.9-0.2113.2K44 Y45 L46K44-R48 VanDerWaalsContact O-CB 3.27Å; K44-R48 WeakPolarHBondContact O-CB 2.99Å; K44-R48 PolarHBondContact O-N 3.22Å; Y45-R48 PolarHBondContact O-N 3.47Å; Y45-R48 VanDerWaalsContact O-N 3.09Å; L46-R48 VanDerWaalsContact C-N 3.34Å
49V95.8Very high95Very high67 Ų6768 Ų6841%0.40634%0.337SS..Hα-helixtrans-92.4-41-172.5-178.70000111.8Y45Y45-V49 HydrophobicContact CD1-CG2 4.23Å; Y45-V49 HydrophobicContact CD2-CG2 4.25Å; Y45-V49 HydrophobicContact CE1-CB 4.17Å; Y45-V49 HydrophobicContact CE1-CG1 4.45Å; Y45-V49 HydrophobicContact CE1-CG2 3.94Å; Y45-V49 HydrophobicContact CE2-CG2 3.95Å; Y45-V49 HydrophobicContact CG-CG2 4.38Å; Y45-V49 WeakPolarHBondContact O-CG2 3.4Å; Y45-V49 PolarHBondContact O-N 3.43Å
50F92.9Very high95.1Very high61 Ų6166 Ų6627%0.26833%0.328SS..SBendtrans-115.74.5-174.3-54.1-67.4000113.9Y22 E25 Y45 L46 M52Y22-F50 AromaticContact CD1-CD1 3.69Å; Y22-F50 HydrophobicContact CD1-CD1 3.69Å; Y22-F50 AromaticContact CD1-CD2 3.99Å; Y22-F50 HydrophobicContact CD1-CD2 3.99Å; Y22-F50 AromaticContact CD1-CE1 3.44Å; Y22-F50 HydrophobicContact CD1-CE1 3.44Å; Y22-F50 VanDerWaalsContact CD1-CE1 3.44Å; Y22-F50 AromaticContact CD1-CE2 3.75Å; Y22-F50 HydrophobicContact CD1-CE2 3.75Å; Y22-F50 AromaticContact CD1-CG 3.96Å; Y22-F50 HydrophobicContact CD1-CG 3.96Å; Y22-F50 AromaticContact CD1-CZ 3.48Å; Y22-F50 HydrophobicContact CD1-CZ 3.48Å; Y22-F50 VanDerWaalsContact CD1-CZ 3.48Å; Y22-F50 HydrophobicContact CD2-CB 4.48Å; Y22-F50 HydrophobicContact CD2-CD2 4.44Å; Y22-F50 HydrophobicContact CD2-CG 4.25Å; Y22-F50 AromaticContact CE1-CD1 3.62Å; Y22-F50 HydrophobicContact CE1-CD1 3.62Å; Y22-F50 AromaticContact CE1-CE1 3.54Å; Y22-F50 HydrophobicContact CE1-CE1 3.54Å; Y22-F50 HydrophobicContact CE1-CG 4.24Å; Y22-F50 HydrophobicContact CE1-CZ 4.07Å; Y22-F50 HydrophobicContact CG-CD1 4.16Å; Y22-F50 AromaticContact CG-CD2 3.84Å; Y22-F50 HydrophobicContact CG-CD2 3.84Å; Y22-F50 HydrophobicContact CG-CE1 4.26Å; Y22-F50 AromaticContact CG-CE2 3.91Å; Y22-F50 HydrophobicContact CG-CE2 3.91Å; Y22-F50 AromaticContact CG-CG 3.96Å; Y22-F50 HydrophobicContact CG-CG 3.96Å; Y22-F50 HydrophobicContact CG-CZ 4.13Å; E25-F50 WeakPolarHBondContact OE2-CZ 3.45Å; Y45-F50 AromaticContact CE1-CE2 3.93Å; Y45-F50 HydrophobicContact CE1-CE2 3.93Å; L46-F50 HydrophobicContact CD2-CD2 3.56Å; L46-F50 HydrophobicContact CD2-CE2 3.91Å; L46-F50 CarbonylContact O-C 3.47Å; L46-F50 WeakPolarHBondContact O-CA 3.47Å; L46-F50 PolarHBondContact O-N 3.12Å; F50-M52 HydrophobicContact CB-CG 4.14Å; F50-M52 PolarHBondContact O-N 3.19Å
51G94.1Very high95.2Very high65 Ų6561.7 Ų61.767%0.6730%0.304SS*.  trans67.112.8-179.400000114.6L46 S47L46-G51 PolarHBondContact O-N 3.33Å; S47-G51 WeakPolarHBondContact O-CA 3.19Å; S47-G51 PolarHBondContact O-N 3.12Å
52M94.3Very high95.2Very high23 Ų2360.1 Ų60.111%0.11331%0.305CS..  trans-69132.7-175-73.2-17069.600112.5V19 Y22 L46 S47 F50 E56V19-M52 HydrophobicContact CB-CE 4.45Å; V19-M52 HydrophobicContact CG1-CE 3.45Å; V19-M52 VanDerWaalsContact CG1-CE 3.45Å; V19-M52 HydrophobicContact CG1-SD 4.03Å; V19-M52 HydrophobicContact CG2-CE 4.13Å; Y22-M52 HydrophobicContact CD2-SD 4.13Å; L46-M52 HydrophobicContact CB-CB 4.04Å; L46-M52 HydrophobicContact CB-CG 4.48Å; L46-M52 HydrophobicContact CB-SD 4.19Å; L46-M52 HydrophobicContact CD1-SD 3.96Å; L46-M52 HydrophobicContact CD2-SD 4.4Å; L46-M52 HydrophobicContact CG-SD 4.43Å; L46-M52 PolarHBondContact O-N 3.39Å; S47-M52 VanDerWaalsContact CA-O 3.27Å; S47-M52 WeakPolarHBondContact CA-O 3.48Å; S47-M52 WeakPolarHBondContact CB-O 3.4Å; S47-M52 PolarHBondContact OG-O 2.85Å; F50-M52 HydrophobicContact CB-CG 4.14Å; F50-M52 PolarHBondContact O-N 3.19Å; M52-E56 HydrophobicContact CE-CG 4.25Å
53H94.9Very high95.2Very high118 Ų11861.6 Ų61.655%0.54631%0.313SS..  trans-72.6133.7177.7-174.6-91.8000111.3K55 E56 T57H53-K55 VanDerWaalsContact C-N 3.29Å; H53-K55 PolarHBondContact ND1-N 2.92Å; H53-K55 PolarHBondContact O-N 3.42Å; H53-K55 VanDerWaalsContact O-N 3.08Å; H53-E56 WeakPolarHBondContact O-CA 3.4Å; H53-E56 WeakPolarHBondContact O-CB 3.43Å; H53-E56 PolarHBondContact O-N 3.08Å; H53-T57 PolarHBondContact O-N 3.2Å
54P93.6Very high95.1Very high62 Ų6261 Ų6140%0.40331%0.309SS..Hα-helixtrans-51-38.6-174.8-3337.1000116.1S43 E56 T57 A58S43-P54 WeakPolarHBondContact OG-CA 3.3Å; S43-P54 VanDerWaalsContact OG-CB 3.26Å; S43-P54 WeakPolarHBondContact OG-CB 3.46Å; P54-E56 VanDerWaalsContact C-N 3.33Å; P54-E56 PolarHBondContact O-N 2.93Å; P54-T57 WeakPolarHBondContact O-CB 3.39Å; P54-T57 PolarHBondContact O-N 3.41Å; P54-A58 PolarHBondContact O-N 2.66Å
55K93.9Very high95Very high168 Ų16856 Ų5673%0.7329%0.29SS*.Hα-helixtrans-64.2-35.9175.9-66.9-177.2179.3-177.70113.1H53 R59H53-K55 VanDerWaalsContact C-N 3.29Å; H53-K55 PolarHBondContact ND1-N 2.92Å; H53-K55 PolarHBondContact O-N 3.42Å; H53-K55 VanDerWaalsContact O-N 3.08Å; K55-R59 WeakPolarHBondContact O-CB 3.32Å; K55-R59 PolarHBondContact O-N 3.34Å; K55-R59 VanDerWaalsContact O-N 3.09Å
56E93.9Very high94.8Very high64 Ų6462.1 Ų62.130%0.29932%0.318SS..Hα-helixtrans-75.9-38.6178179.259.1-169.100110.5M52 H53 P54 A58 R59 Q60M52-E56 HydrophobicContact CE-CG 4.25Å; H53-E56 WeakPolarHBondContact O-CA 3.4Å; H53-E56 WeakPolarHBondContact O-CB 3.43Å; H53-E56 PolarHBondContact O-N 3.08Å; P54-E56 VanDerWaalsContact C-N 3.33Å; P54-E56 PolarHBondContact O-N 2.93Å; E56-A58 PolarHBondContact O-N 3.42Å; E56-R59 PolarHBondContact O-N 3.32Å; E56-R59 IonicContact OE1-CZ 3.46Å; E56-R59 IonicContact OE1-NE 3.97Å; E56-R59 IonicContact OE1-NH2 2.61Å; E56-R59 PolarHBondContact OE1-NH2 3.17Å; E56-R59 IonicContact OE2-CZ 2.79Å; E56-R59 IonicContact OE2-NE 3.65Å; E56-R59 PolarHBondContact OE2-NE 3.43Å; E56-R59 IonicContact OE2-NH2 3.59Å; E56-R59 PolarHBondContact OE2-NH2 2.88Å; E56-Q60 HydrophobicContact CG-CG 4.24Å; E56-Q60 WeakPolarHBondContact O-CB 3.4Å; E56-Q60 VanDerWaalsContact O-CG 3.27Å; E56-Q60 WeakPolarHBondContact O-CG 3.4Å; E56-Q60 PolarHBondContact O-N 3.34Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.44Å; E56-Q60 PolarHBondContact OE1-NE2 2.66Å
57T95.3Very high94.5Very high0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-54.6-50.6169.1-59.80000111.5I42 L46 H53 P54 R59 Q60 L61I42-T57 HydrophobicContact CG2-CG2 4.09Å; L46-T57 HydrophobicContact CD1-CG2 3.46Å; L46-T57 VanDerWaalsContact CD1-CG2 3.46Å; L46-T57 HydrophobicContact CG-CG2 4.46Å; H53-T57 PolarHBondContact O-N 3.2Å; P54-T57 WeakPolarHBondContact O-CB 3.39Å; P54-T57 PolarHBondContact O-N 3.41Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 2.9Å; T57-Q60 PolarHBondContact O-N 3.34Å; T57-L61 VanDerWaalsContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CB 3.46Å; T57-L61 PolarHBondContact O-N 2.9Å
58A94.7Very high94.2Very high36 Ų3662.3 Ų62.330%0.29832%0.32SS..Hα-helixtrans-62.6-40.718000000112.5M39 P54 E56 S62M39-A58 HydrophobicContact CE-CB 3.79Å; M39-A58 HydrophobicContact SD-CB 3.76Å; P54-A58 PolarHBondContact O-N 2.66Å; E56-A58 PolarHBondContact O-N 3.42Å; A58-S62 WeakPolarHBondContact O-CB 3.42Å; A58-S62 PolarHBondContact O-N 3.16Å; A58-S62 VanDerWaalsContact O-N 3.11Å
59R96.2Very high94Very high124 Ų12453 Ų5347%0.46829%0.285SS..Hα-helixtrans-60.7-51.8174.8-169.9-17774.984.6-1.1111.3K55 E56 T57 S62 L63K55-R59 WeakPolarHBondContact O-CB 3.32Å; K55-R59 PolarHBondContact O-N 3.34Å; K55-R59 VanDerWaalsContact O-N 3.09Å; E56-R59 PolarHBondContact O-N 3.32Å; E56-R59 IonicContact OE1-CZ 3.46Å; E56-R59 IonicContact OE1-NE 3.97Å; E56-R59 IonicContact OE1-NH2 2.61Å; E56-R59 PolarHBondContact OE1-NH2 3.17Å; E56-R59 IonicContact OE2-CZ 2.79Å; E56-R59 IonicContact OE2-NE 3.65Å; E56-R59 PolarHBondContact OE2-NE 3.43Å; E56-R59 IonicContact OE2-NH2 3.59Å; E56-R59 PolarHBondContact OE2-NH2 2.88Å; T57-R59 VanDerWaalsContact C-N 3.34Å; T57-R59 PolarHBondContact O-N 2.9Å; R59-S62 PolarHBondContact O-N 3.03Å; R59-L63 HydrophobicContact CG-CD1 4.47Å; R59-L63 WeakPolarHBondContact O-CG 3.16Å; R59-L63 PolarHBondContact O-N 2.73Å
60Q95.4Very high93.9Very high10 Ų1049.9 Ų49.95%0.04727%0.266CS..Hα-helixtrans-69.7-35.2-176-68.8-80.67.500112.5V19 E56 T57 L63 A64V19-Q60 HydrophobicContact CB-CB 4.47Å; V19-Q60 HydrophobicContact CB-CG 4.39Å; V19-Q60 HydrophobicContact CG1-CB 3.56Å; V19-Q60 HydrophobicContact CG1-CG 3.81Å; E56-Q60 HydrophobicContact CG-CG 4.24Å; E56-Q60 WeakPolarHBondContact O-CB 3.4Å; E56-Q60 VanDerWaalsContact O-CG 3.27Å; E56-Q60 WeakPolarHBondContact O-CG 3.4Å; E56-Q60 PolarHBondContact O-N 3.34Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.44Å; E56-Q60 PolarHBondContact OE1-NE2 2.66Å; T57-Q60 PolarHBondContact O-N 3.34Å; Q60-L63 PolarHBondContact O-N 3.41Å; Q60-A64 WeakPolarHBondContact O-CB 3.09Å; Q60-A64 PolarHBondContact O-N 3.36Å
61L95.6Very high93.8Very high0 Ų048.4 Ų48.40%026%0.262CS..Hα-helixtrans-63.5-45.8173.2-174.558.2000111V23 M39 I42 T57 L63 A64 V65 V70 Y90V23-L61 HydrophobicContact CG1-CD1 3.6Å; M39-L61 HydrophobicContact CE-CB 4.37Å; M39-L61 HydrophobicContact CE-CD2 3.73Å; M39-L61 HydrophobicContact CE-CG 4.4Å; M39-L61 HydrophobicContact SD-CD2 3.82Å; I42-L61 HydrophobicContact CD1-CD2 3.97Å; I42-L61 HydrophobicContact CG2-CD2 4.46Å; T57-L61 VanDerWaalsContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CB 3.46Å; T57-L61 PolarHBondContact O-N 2.9Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3Å; L61-A64 PolarHBondContact O-N 3.22Å; L61-V65 WeakPolarHBondContact O-CG2 2.87Å; L61-V65 PolarHBondContact O-N 3.34Å; L61-V70 HydrophobicContact CD1-CG1 4.01Å; L61-V70 HydrophobicContact CD1-CG2 4.42Å; L61-Y90 HydrophobicContact CD1-CD1 3.74Å; L61-Y90 HydrophobicContact CD1-CE1 4.09Å; L61-Y90 HydrophobicContact CD1-CG 4.21Å; L61-Y90 HydrophobicContact CD2-CD1 3.84Å; L61-Y90 HydrophobicContact CD2-CD2 3.98Å; L61-Y90 HydrophobicContact CD2-CE1 3.61Å; L61-Y90 HydrophobicContact CD2-CE2 3.81Å; L61-Y90 HydrophobicContact CD2-CG 4.01Å; L61-Y90 HydrophobicContact CG-CD1 3.84Å; L61-Y90 HydrophobicContact CG-CE1 3.64Å; L61-Y90 HydrophobicContact CG-CG 4.43Å
62S95.1Very high93.7Very high47 Ų4749.2 Ų49.233%0.32925%0.248SC..Hα-helixtrans-62.7-34.8174.9-175.90000113.1A58 R59 K66A58-S62 WeakPolarHBondContact O-CB 3.42Å; A58-S62 PolarHBondContact O-N 3.16Å; A58-S62 VanDerWaalsContact O-N 3.11Å; R59-S62 PolarHBondContact O-N 3.03Å; S62-K66 WeakPolarHBondContact O-CG 3.37Å; S62-K66 PolarHBondContact O-N 3.27Å; S62-K66 VanDerWaalsContact O-N 3.17Å
63L95.4Very high93.4Very high31 Ų3150.4 Ų50.416%0.16226%0.257CS..Hα-helixtrans-70.5-41.3172.9-65.8177.9000111.7Q14 A15 R59 Q60 L61 V65 K66 D67Q14-L63 HydrophobicContact CB-CD1 4.26Å; Q14-L63 HydrophobicContact CB-CD2 3.9Å; Q14-L63 HydrophobicContact CB-CG 4.45Å; A15-L63 HydrophobicContact CB-CB 3.84Å; R59-L63 HydrophobicContact CG-CD1 4.47Å; R59-L63 WeakPolarHBondContact O-CG 3.16Å; R59-L63 PolarHBondContact O-N 2.73Å; Q60-L63 PolarHBondContact O-N 3.41Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3Å; L63-V65 VanDerWaalsContact C-N 3.28Å; L63-V65 PolarHBondContact O-N 3.25Å; L63-K66 PolarHBondContact O-N 3.23Å; L63-K66 VanDerWaalsContact O-N 3.16Å; L63-D67 WeakPolarHBondContact O-CB 3.48Å; L63-D67 VanDerWaalsContact O-CG 3.26Å; L63-D67 PolarHBondContact O-N 2.87Å
64A95.1Very high92.9Very high1 Ų151.1 Ų51.11%0.00826%0.264CS..Hα-helixtrans-62.9-35.7177.900000111.9A15 V20 Q60 L61 G68 L69 V70A15-A64 HydrophobicContact CB-CB 4.23Å; V20-A64 HydrophobicContact CG2-CB 4.04Å; Q60-A64 WeakPolarHBondContact O-CB 3.09Å; Q60-A64 PolarHBondContact O-N 3.36Å; L61-A64 PolarHBondContact O-N 3.22Å; A64-G68 PolarHBondContact O-N 2.89Å; A64-L69 HydrophobicContact CB-CB 4.42Å; A64-L69 WeakPolarHBondContact O-CA 3.5Å; A64-L69 PolarHBondContact O-N 3.26Å; A64-V70 HydrophobicContact CB-CB 4.26Å; A64-V70 HydrophobicContact CB-CG2 3.86Å; A64-V70 PolarHBondContact O-N 3.24Å
65V93.3Very high92.3Very high36 Ų3649.2 Ų49.222%0.21825%0.251CS..Hα-helixtrans-66.2-45.2171.9174.10000111.6L61 L63 D67 G68 V70 E72 Y90L61-V65 WeakPolarHBondContact O-CG2 2.87Å; L61-V65 PolarHBondContact O-N 3.34Å; L63-V65 VanDerWaalsContact C-N 3.28Å; L63-V65 PolarHBondContact O-N 3.25Å; V65-D67 VanDerWaalsContact C-N 3.29Å; V65-D67 PolarHBondContact O-N 2.8Å; V65-G68 WeakPolarHBondContact O-CA 3.1Å; V65-G68 PolarHBondContact O-N 3.34Å; V65-V70 WeakPolarHBondContact CA-O 3.38Å; V65-V70 HydrophobicContact CG2-CB 4.08Å; V65-V70 HydrophobicContact CG2-CG1 4.05Å; V65-E72 HydrophobicContact CG1-CB 3.87Å; V65-E72 HydrophobicContact CG2-CB 3.94Å; V65-Y90 HydrophobicContact CG2-CD1 4.08Å; V65-Y90 HydrophobicContact CG2-CE1 4.08Å
66K91.9Very high91.5Very high156 Ų15644.5 Ų44.568%0.67824%0.236SC*.Hα-helixtrans-64.3-32.1176.8-73.9168.4-177.8166.10113.7S62 L63 G68S62-K66 WeakPolarHBondContact O-CG 3.37Å; S62-K66 PolarHBondContact O-N 3.27Å; S62-K66 VanDerWaalsContact O-N 3.17Å; L63-K66 PolarHBondContact O-N 3.23Å; L63-K66 VanDerWaalsContact O-N 3.16Å; K66-G68 PolarHBondContact O-N 2.75Å
67D91.4Very high90.3Very high25 Ų2541.8 Ų41.813%0.13423%0.226CC..THydrogen-bonded Turntrans-81.5-0.3174.3-67.8-10.6000112.6R13 Q14 A15 L63 V65 L69R13-D67 WeakPolarHBondContact CA-OD1 3.47Å; R13-D67 WeakPolarHBondContact CA-OD2 3.48Å; R13-D67 HydrophobicContact CB-CB 4.45Å; R13-D67 WeakPolarHBondContact CB-OD2 3.28Å; R13-D67 HydrophobicContact CG-CB 4.03Å; Q14-D67 PolarHBondContact N-OD1 3Å; Q14-D67 PolarHBondContact N-OD2 2.85Å; A15-D67 VanDerWaalsContact CB-OD2 3.25Å; A15-D67 WeakPolarHBondContact CB-OD2 3.17Å; A15-D67 PolarHBondContact N-OD2 2.99Å; L63-D67 WeakPolarHBondContact O-CB 3.48Å; L63-D67 VanDerWaalsContact O-CG 3.26Å; L63-D67 PolarHBondContact O-N 2.87Å; V65-D67 VanDerWaalsContact C-N 3.29Å; V65-D67 PolarHBondContact O-N 2.8Å; D67-L69 HydrophobicContact CB-CD1 4.1Å; D67-L69 HydrophobicContact CB-CG 4.11Å; D67-L69 PolarHBondContact O-N 2.86Å
68G89.6Confident89Confident20 Ų2047.5 Ų47.521%0.20626%0.264CS..THydrogen-bonded Turntrans6511.7-176.400000114.8A64 V65 K66 V70 P93 W107A64-G68 PolarHBondContact O-N 2.89Å; V65-G68 WeakPolarHBondContact O-CA 3.1Å; V65-G68 PolarHBondContact O-N 3.34Å; K66-G68 PolarHBondContact O-N 2.75Å; G68-V70 VanDerWaalsContact C-N 3.28Å; G68-P93 VanDerWaalsContact O-CG 3.26Å; G68-P93 WeakPolarHBondContact O-CG 3.44Å; G68-W107 WeakPolarHBondContact O-CH2 3.38Å; G68-W107 VanDerWaalsContact O-CZ2 3.25Å; G68-W107 WeakPolarHBondContact O-CZ2 3.42Å
69L91.4Very high87.5Confident0 Ų053.3 Ų53.30%028%0.282CS..SBendtrans-77.7-14.6178.2-66.7174.9000112.7V20 W24 A64 D67 P93 R203 L204V20-L69 HydrophobicContact CB-CD1 4.5Å; V20-L69 HydrophobicContact CG1-CB 3.96Å; V20-L69 HydrophobicContact CG1-CD1 4.09Å; V20-L69 HydrophobicContact CG2-CD1 3.84Å; W24-L69 PolarHBondContact NE1-O 3.11Å; A64-L69 HydrophobicContact CB-CB 4.42Å; A64-L69 WeakPolarHBondContact O-CA 3.5Å; A64-L69 PolarHBondContact O-N 3.26Å; D67-L69 HydrophobicContact CB-CD1 4.1Å; D67-L69 HydrophobicContact CB-CG 4.11Å; D67-L69 PolarHBondContact O-N 2.86Å; L69-P93 WeakPolarHBondContact O-CD 3.36Å; L69-P93 WeakPolarHBondContact O-CG 3.41Å; L69-R203 HydrophobicContact CD2-CB 4.05Å; L69-L204 HydrophobicContact CD1-CD2 4.17Å; L69-L204 HydrophobicContact CD2-CD2 4.31Å
70V92.8Very high86.2Confident1 Ų150.2 Ų50.21%0.00629%0.29CS..SBendtrans-138.3146.4170.9173.90000107.4V23 I27 L61 A64 V65 G68 Y90V23-V70 HydrophobicContact CG1-CG2 3.83Å; I27-V70 HydrophobicContact CD1-CG1 3.86Å; I27-V70 HydrophobicContact CD1-CG2 4.22Å; L61-V70 HydrophobicContact CD1-CG1 4.01Å; L61-V70 HydrophobicContact CD1-CG2 4.42Å; A64-V70 HydrophobicContact CB-CB 4.26Å; A64-V70 HydrophobicContact CB-CG2 3.86Å; A64-V70 PolarHBondContact O-N 3.24Å; V65-V70 WeakPolarHBondContact CA-O 3.38Å; V65-V70 HydrophobicContact CG2-CB 4.08Å; V65-V70 HydrophobicContact CG2-CG1 4.05Å; G68-V70 VanDerWaalsContact C-N 3.28Å; V70-Y90 HydrophobicContact CG1-CD1 4.01Å; V70-Y90 HydrophobicContact CG1-CG 4.48Å
71V91.2Very high84.8Confident30 Ų3056.2 Ų56.218%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-105.1133.8174.8-176.70000109.5T73 Y90 W91 P93 E96V71-T73 HydrophobicContact CG1-CG2 4.03Å; V71-Y90 CarbonylContact O-C 3.59Å; V71-Y90 VanDerWaalsContact O-CA 3.29Å; V71-Y90 WeakPolarHBondContact O-CA 3.46Å; V71-W91 HydrophobicContact CB-CB 4.4Å; V71-W91 PolarHBondContact N-O 2.85Å; V71-W91 PolarHBondContact O-N 2.85Å; V71-P93 HydrophobicContact CG2-CB 3.81Å; V71-P93 HydrophobicContact CG2-CG 4.08Å; V71-E96 HydrophobicContact CG1-CG 4.2Å
72E91.7Very high83.5Confident82 Ų8261.3 Ų61.338%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-110.9124.2178-179.2178-176.800109.2V65 Y90V65-E72 HydrophobicContact CG1-CB 3.87Å; V65-E72 HydrophobicContact CG2-CB 3.94Å; E72-Y90 HydrophobicContact CB-CD1 4.11Å; E72-Y90 HydrophobicContact CB-CE1 4.04Å; E72-Y90 HydrophobicContact CG-CD1 4.25Å; E72-Y90 HydrophobicContact CG-CE1 3.81Å
73T88Confident82.3Confident48 Ų4861.8 Ų61.829%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-136.3153.1175.6750000111.3V71 T75 G89 W91V71-T73 HydrophobicContact CG1-CG2 4.03Å; T73-T75 PolarHBondContact O-N 2.95Å; T73-T75 PolarHBondContact O-OG1 3.48Å; T73-T75 PolarHBondContact OG1-OG1 2.89Å; T73-G89 PolarHBondContact N-O 2.87Å; T73-G89 PolarHBondContact O-N 2.89Å; T73-W91 PolarHBondContact OG1-NE1 2.95Å
74L85.4Confident81.1Confident132 Ų13263.1 Ų63.169%0.69138%0.382SS*.EExtended strand (participates in β ladder)trans-71.4121.6167.1-65.8175.1000108.8
75T80.2Confident80.3Confident22 Ų2267.1 Ų67.114%0.13540%0.403CS..EExtended strand (participates in β ladder)trans-127.4130.8-176.5-51.10000110.5I36 T73 Q87 W91I36-T75 HydrophobicContact CD1-CG2 3.62Å; I36-T75 HydrophobicContact CG1-CG2 3.99Å; T73-T75 PolarHBondContact O-N 2.95Å; T73-T75 PolarHBondContact O-OG1 3.48Å; T73-T75 PolarHBondContact OG1-OG1 2.89Å; T75-Q87 PolarHBondContact N-O 2.86Å; T75-Q87 PolarHBondContact O-N 3Å; T75-W91 HydrophobicContact CG2-CH2 4.49Å; T75-W91 HydrophobicContact CG2-CZ2 3.89Å; T75-W91 WeakPolarHBondContact OG1-CZ2 3.35Å
76V78.9Confident79.6Confident70 Ų7071.8 Ų71.842%0.42442%0.422SS..EExtended strand (participates in β ladder)trans-80131.8175-1780000110.6C78 E86V76-C78 PolarHBondContact O-N 2.92Å; V76-E86 HydrophobicContact CG2-CG 3.82Å
77G67.6Low79.2Confident7 Ų765.9 Ų65.97%0.07240%0.397CS..  trans-64.6117.6173.400000112.9A83 G84 I85G77-A83 CarbonylContact O-C 3.45Å; G77-A83 WeakPolarHBondContact O-CA 3.2Å; G77-G84 PolarHBondContact O-N 2.66Å; G77-I85 PolarHBondContact N-O 3.21Å
78C67Low79Confident119 Ų11968.9 Ų68.980%0.80441%0.41SS*.  trans-87.6-8.2175.1-53.70000114.2V76V76-C78 PolarHBondContact O-N 2.92Å
79K64.6Low79Confident158 Ų15868 Ų6869%0.68740%0.401SS*.SBendtrans-148.6147.9-173.7-65.4-172.3178.3-177.30113.6
80G68.3Low79.1Confident60 Ų6068.2 Ų68.262%0.61940%0.402SS*.SBendtrans84.7-169.9172.500000114.7K82 A83G80-K82 PolarHBondContact O-N 2.75Å; G80-A83 WeakPolarHBondContact O-CB 3.31Å; G80-A83 PolarHBondContact O-N 2.89Å
81S66.8Low79Confident135 Ų13569.5 Ų69.594%0.94441%0.407SS*.THydrogen-bonded Turntrans-64.1-4.6-173-39.30000115.9
82K67.2Low78.9Confident107 Ų10768.9 Ų68.947%0.46540%0.402SS..THydrogen-bonded Turntrans-122.228.7174.4-64.2-168.6177.5-173.50111.6G80 I85 Q87G80-K82 PolarHBondContact O-N 2.75Å; K82-I85 HydrophobicContact CB-CB 4.47Å; K82-I85 HydrophobicContact CB-CD1 4.06Å; K82-I85 HydrophobicContact CG-CD1 4.25Å; K82-I85 PolarHBondContact O-N 3.31Å; K82-Q87 VanDerWaalsContact CD-OE1 3.26Å
83A70.5Confident78.6Confident57 Ų5765.5 Ų65.547%0.47139%0.387SS..THydrogen-bonded Turntrans-63.7139.8174.200000110.4G77 G80 I85G77-A83 CarbonylContact O-C 3.45Å; G77-A83 WeakPolarHBondContact O-CA 3.2Å; G80-A83 WeakPolarHBondContact O-CB 3.31Å; G80-A83 PolarHBondContact O-N 2.89Å; A83-I85 VanDerWaalsContact C-N 3.26Å; A83-I85 PolarHBondContact O-N 2.83Å
84G70.3Confident78Confident59 Ų5966.1 Ų66.161%0.60840%0.403SS*.THydrogen-bonded Turntrans77.3-1.3-175.500000115.7G77G77-G84 PolarHBondContact O-N 2.66Å
85I77.5Confident77.4Confident86 Ų8664.9 Ų64.944%0.44140%0.397SS..  trans-98121.5179.5-53.3-179000110.1G77 K82 A83 Q87G77-I85 PolarHBondContact N-O 3.21Å; K82-I85 HydrophobicContact CB-CB 4.47Å; K82-I85 HydrophobicContact CB-CD1 4.06Å; K82-I85 HydrophobicContact CG-CD1 4.25Å; K82-I85 PolarHBondContact O-N 3.31Å; A83-I85 VanDerWaalsContact C-N 3.26Å; A83-I85 PolarHBondContact O-N 2.83Å; I85-Q87 HydrophobicContact CG2-CG 4.48Å; I85-Q87 PolarHBondContact O-NE2 2.88Å; I85-Q87 VanDerWaalsContact O-NE2 3.15Å
86E79.5Confident76.7Confident133 Ų13367.1 Ų67.162%0.62141%0.406SS*.EExtended strand (participates in β ladder)trans-60.4128.5168.8-72.2-179.8176.700111.3V76V76-E86 HydrophobicContact CG2-CG 3.82Å
87Q83.1Confident75.4Confident33 Ų3371.5 Ų71.515%0.15442%0.424CS..EExtended strand (participates in β ladder)trans-143153178.3-7915896.800109.4T75 K82 I85 G89T75-Q87 PolarHBondContact N-O 2.86Å; T75-Q87 PolarHBondContact O-N 3Å; K82-Q87 VanDerWaalsContact CD-OE1 3.26Å; I85-Q87 HydrophobicContact CG2-CG 4.48Å; I85-Q87 PolarHBondContact O-NE2 2.88Å; I85-Q87 VanDerWaalsContact O-NE2 3.15Å; Q87-G89 PolarHBondContact O-N 2.84Å
88E87.3Confident74.6Confident88 Ų8878.6 Ų78.641%0.41146%0.455SS..EExtended strand (participates in β ladder)trans-55.1119.7166.7-67165-152.600110.4N38 Y90N38-E88 VanDerWaalsContact CB-O 3.22Å; N38-E88 WeakPolarHBondContact CB-O 3.41Å; E88-Y90 HydrophobicContact CB-CE2 3.94Å; E88-Y90 PolarHBondContact OE2-OH 3.28Å
89G90Very high73.6Confident0 Ų078.3 Ų78.30%045%0.452CS..EExtended strand (participates in β ladder)trans-112.7127.2171.700000109.9T73 Q87 W91T73-G89 PolarHBondContact N-O 2.87Å; T73-G89 PolarHBondContact O-N 2.89Å; Q87-G89 PolarHBondContact O-N 2.84Å; G89-W91 PolarHBondContact O-NE1 2.95Å
90Y93.2Very high72.7Confident6 Ų678.5 Ų78.52%0.02445%0.453CS..EExtended strand (participates in β ladder)trans-102140.4176.7-58.6-90.1000110R31 A37 M39 I42 L61 V65 V70 V71 E72 E88R31-Y90 PolarHBondContact NE-O 3.05Å; R31-Y90 PolarHBondContact NH2-O 2.89Å; A37-Y90 WeakPolarHBondContact O-CD2 3.23Å; A37-Y90 PolarHBondContact O-N 3.24Å; M39-Y90 HydrophobicContact CB-CE2 4.3Å; I42-Y90 HydrophobicContact CD1-CD2 3.82Å; I42-Y90 HydrophobicContact CD1-CG 4Å; L61-Y90 HydrophobicContact CD1-CD1 3.74Å; L61-Y90 HydrophobicContact CD1-CE1 4.09Å; L61-Y90 HydrophobicContact CD1-CG 4.21Å; L61-Y90 HydrophobicContact CD2-CD1 3.84Å; L61-Y90 HydrophobicContact CD2-CD2 3.98Å; L61-Y90 HydrophobicContact CD2-CE1 3.61Å; L61-Y90 HydrophobicContact CD2-CE2 3.81Å; L61-Y90 HydrophobicContact CD2-CG 4.01Å; L61-Y90 HydrophobicContact CG-CD1 3.84Å; L61-Y90 HydrophobicContact CG-CE1 3.64Å; L61-Y90 HydrophobicContact CG-CG 4.43Å; V65-Y90 HydrophobicContact CG2-CD1 4.08Å; V65-Y90 HydrophobicContact CG2-CE1 4.08Å; V70-Y90 HydrophobicContact CG1-CD1 4.01Å; V70-Y90 HydrophobicContact CG1-CG 4.48Å; V71-Y90 CarbonylContact O-C 3.59Å; V71-Y90 VanDerWaalsContact O-CA 3.29Å; V71-Y90 WeakPolarHBondContact O-CA 3.46Å; E72-Y90 HydrophobicContact CB-CD1 4.11Å; E72-Y90 HydrophobicContact CB-CE1 4.04Å; E72-Y90 HydrophobicContact CG-CD1 4.25Å; E72-Y90 HydrophobicContact CG-CE1 3.81Å; E88-Y90 HydrophobicContact CB-CE2 3.94Å; E88-Y90 PolarHBondContact OE2-OH 3.28Å
91W90.6Very high71.4Confident28 Ų2878.8 Ų78.811%0.10645%0.449CS..EExtended strand (participates in β ladder)trans-136.7155.5-171.5-49.783.1000110.4R31 V71 T73 T75 G89 M97R31-W91 VanDerWaalsContact NH1-CZ2 3.33Å; R31-W91 VanDerWaalsContact NH2-CD2 3.32Å; V71-W91 HydrophobicContact CB-CB 4.4Å; V71-W91 PolarHBondContact N-O 2.85Å; V71-W91 PolarHBondContact O-N 2.85Å; T73-W91 PolarHBondContact OG1-NE1 2.95Å; T75-W91 HydrophobicContact CG2-CH2 4.49Å; T75-W91 HydrophobicContact CG2-CZ2 3.89Å; T75-W91 WeakPolarHBondContact OG1-CZ2 3.35Å; G89-W91 PolarHBondContact O-NE1 2.95Å; W91-M97 HydrophobicContact CH2-CB 4.47Å
92L89.9Confident70Confident16 Ų1682.3 Ų82.38%0.08445%0.451CS..  trans-74140167.4-55.5-169.4000108.8W24 I27 E28 G94 D95W24-L92 HydrophobicContact CB-CD2 4.03Å; W24-L92 HydrophobicContact CD2-CD2 3.63Å; W24-L92 HydrophobicContact CE3-CD1 3.92Å; W24-L92 HydrophobicContact CE3-CD2 3.9Å; W24-L92 HydrophobicContact CE3-CG 4.42Å; W24-L92 HydrophobicContact CG-CD2 3.68Å; W24-L92 HydrophobicContact CZ3-CD1 4.15Å; I27-L92 HydrophobicContact CB-CD2 4.09Å; I27-L92 HydrophobicContact CD1-CD2 4.32Å; I27-L92 HydrophobicContact CG2-CD2 3.91Å; I27-L92 HydrophobicContact CG2-CG 4.17Å; E28-L92 HydrophobicContact CG-CD1 3.76Å; L92-G94 PolarHBondContact O-N 3.24Å; L92-G94 VanDerWaalsContact O-N 3.07Å; L92-D95 HydrophobicContact CB-CB 4.49Å; L92-D95 PolarHBondContact O-N 3.43Å
93P85.1Confident68.8Low11 Ų1180.8 Ų80.87%0.07147%0.465CS..THydrogen-bonded Turntrans-68.3112-177.6-13.226.4000110.9W24 G68 L69 V71 R203W24-P93 HydrophobicContact CZ2-CG 4.33Å; G68-P93 VanDerWaalsContact O-CG 3.26Å; G68-P93 WeakPolarHBondContact O-CG 3.44Å; L69-P93 WeakPolarHBondContact O-CD 3.36Å; L69-P93 WeakPolarHBondContact O-CG 3.41Å; V71-P93 HydrophobicContact CG2-CB 3.81Å; V71-P93 HydrophobicContact CG2-CG 4.08Å; P93-R203 PolarHBondContact O-NH2 3.29Å
94G75.8Confident67.6Low62 Ų6281.3 Ų81.364%0.63947%0.465SS*.THydrogen-bonded Turntrans121.6-22.2-171.400000114.6L92 E96L92-G94 PolarHBondContact O-N 3.24Å; L92-G94 VanDerWaalsContact O-N 3.07Å; G94-E96 VanDerWaalsContact C-N 3.32Å; G94-E96 PolarHBondContact O-N 3.22Å
95D72.3Confident66.2Low105 Ų10585.4 Ų85.456%0.56147%0.466SS*.  trans-95.426.6-178.4-65.3-12.9000112.6L92L92-D95 HydrophobicContact CB-CB 4.49Å; L92-D95 PolarHBondContact O-N 3.43Å
96E65.1Low64.6Low69 Ų6987.5 Ų87.532%0.32248%0.479SS..  trans-77.4134.5-175.5-68.1166.5-121.800111.1V71 G94 E98V71-E96 HydrophobicContact CG1-CG 4.2Å; G94-E96 VanDerWaalsContact C-N 3.32Å; G94-E96 PolarHBondContact O-N 3.22Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.17Å
97M52.3Low63.4Low162 Ų16287.7 Ų87.780%0.79847%0.474SS*.SBendtrans-84-2.9-172.9-161.6133.577.700114.5W91W91-M97 HydrophobicContact CH2-CB 4.47Å
98E50.6Low62Low156 Ų15692.5 Ų92.573%0.72950%0.496SS*.SBendtrans-128.8140.6-178.9-78.2-72152.700110E96 K100E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.17Å; E98-K100 PolarHBondContact O-N 3.34Å
99P44.7Very low60.7Low113 Ų11393.1 Ų93.173%0.73452%0.517SS*.SBendtrans-76.8111.6-17829.8-31.7000111.7
100K46.7Very low60.1Low163 Ų16397 Ų9771%0.70954%0.535SS*.  trans58.890.6168.3-59.1-173.2177.2-167.30115E98 E102E98-K100 PolarHBondContact O-N 3.34Å; K100-E102 PolarHBondContact O-N 3.46Å
101A42Very low59.8Low66 Ų66101.1 Ų101.155%0.54557%0.565SS.*  trans-54.9131.3146.900000109.4G103 S104A101-G103 PolarHBondContact O-N 3.24Å; A101-S104 PolarHBondContact O-N 2.93Å
102E36.1Very low60Low209 Ų209101.7 Ų101.798%0.97757%0.568SS**THydrogen-bonded Turntrans-60.6103.9175-71.5-177.5129.900109.3K100K100-E102 PolarHBondContact O-N 3.46Å
103G43Very low60.3Low74 Ų74100.9 Ų100.976%0.76356%0.564SS**THydrogen-bonded Turntrans131.4-6.4-165.700000114.4A101 K105A101-G103 PolarHBondContact O-N 3.24Å; G103-K105 PolarHBondContact O-N 3.03Å
104S43.6Very low60.8Low68 Ų68101.6 Ų101.648%0.47657%0.565SS.*  trans-62.181.4160.3-169.40000109.5A101 D106A101-S104 PolarHBondContact O-N 2.93Å; S104-D106 PolarHBondContact O-N 3.39Å
105K41.2Very low61.8Low145 Ų14598.6 Ų98.663%0.6354%0.535SS*.  trans-61.7119.3165.7-127-168.9-177.9-140.80105.7G103 W107 E108G103-K105 PolarHBondContact O-N 3.03Å; K105-W107 PolarHBondContact O-N 3.42Å; K105-E108 IonicContact NZ-OE2 3.31Å; K105-E108 PolarHBondContact NZ-OE2 3.16Å
106D44.9Very low63Low131 Ų13193.6 Ų93.670%0.70151%0.508SS*.  trans-49.1133.9160-75.6-50000107.1S104 E108S104-D106 PolarHBondContact O-N 3.39Å; D106-E108 PolarHBondContact O-N 2.98Å
107W53.7Low64.4Low137 Ų13790.3 Ų90.352%0.51949%0.493SS..  trans-71.877.3-171.5-75.586.6000109.9G68 K105 A109G68-W107 WeakPolarHBondContact O-CH2 3.38Å; G68-W107 VanDerWaalsContact O-CZ2 3.25Å; G68-W107 WeakPolarHBondContact O-CZ2 3.42Å; K105-W107 PolarHBondContact O-N 3.42Å; W107-A109 PolarHBondContact O-N 3.41Å
108E54Low66.5Low133 Ų13386.7 Ų86.762%0.62148%0.477SS*.  trans-50.3124.1171.9-69.9176.8140.700108.1K105 D106 E110K105-E108 IonicContact NZ-OE2 3.31Å; K105-E108 PolarHBondContact NZ-OE2 3.16Å; D106-E108 PolarHBondContact O-N 2.98Å; E108-E110 PolarHBondContact O-N 2.77Å
109A59.8Low68.7Low102 Ų10280.7 Ų80.784%0.84345%0.452SS*.  trans-61.4103.4176.400000108.6W107 S111W107-A109 PolarHBondContact O-N 3.41Å; A109-S111 PolarHBondContact O-N 3.23Å
110E77.6Confident71.1Confident80 Ų8076.2 Ų76.237%0.37442%0.421SS..  trans-57.3135.4177.5-76.4-170.8-126.600109.4K12 E108 H112 W114 H206K12-E110 IonicContact NZ-OE2 3.77Å; K12-E110 PolarHBondContact NZ-OE2 2.98Å; E108-E110 PolarHBondContact O-N 2.77Å; E110-H112 PolarHBondContact O-N 3.06Å; E110-W114 HydrophobicContact CB-CZ2 4.43Å; E110-W114 PolarHBondContact OE1-NE1 2.97Å; E110-W114 PolarHBondContact OE2-NE1 2.89Å; E110-H206 PolarHBondContact O-NE2 3.08Å
111S87.8Confident73.5Confident94 Ų9471.5 Ų71.566%0.65740%0.403SS*.SBendtrans-69.8-5.8-175.357.80000114.8A109 F132A109-S111 PolarHBondContact O-N 3.23Å; S111-F132 WeakPolarHBondContact O-CB 3.5Å
112H94.5Very high76.1Confident39 Ų3969.4 Ų69.418%0.18138%0.384CS..SBendtrans-145.5145.7-172.3-71.179.9000110.6K12 E110 C128 F132 V134K12-H112 PolarHBondContact NZ-O 3.43Å; E110-H112 PolarHBondContact O-N 3.06Å; H112-C128 PolarHBondContact NE2-O 3.44Å; H112-C128 VanDerWaalsContact NE2-O 3.16Å; H112-F132 CarbonylContact C-O 3.56Å; H112-F132 WeakPolarHBondContact CA-O 3.06Å; H112-V134 HydrophobicContact CB-CG1 3.84Å
113D95.4Very high78.9Confident0 Ų059.9 Ų59.90%034%0.342CS..  trans-56.2158.2174.3-147.8-53.9000112.1K12 Y115 F117 F132 V134 H206 H238K12-D113 WeakPolarHBondContact CE-O 3.5Å; D113-Y115 PolarHBondContact OD1-N 3.47Å; D113-Y115 VanDerWaalsContact OD1-N 3.12Å; D113-F117 HydrophobicContact CB-CE2 3.8Å; D113-F132 HydrophobicContact CB-CD2 4.39Å; D113-F132 PolarHBondContact N-O 3.33Å; D113-V134 HydrophobicContact CB-CG2 4.36Å; D113-V134 VanDerWaalsContact O-CG1 3.31Å; D113-V134 WeakPolarHBondContact O-CG1 3.38Å; D113-V134 WeakPolarHBondContact O-CG2 3.33Å; D113-H206 HydrophobicContact CB-CB 4.27Å; D113-H206 WeakPolarHBondContact OD2-CB 3.39Å; D113-H238 IonicContact OD1-NE2 3.52Å; D113-H238 IonicContact OD2-NE2 2.66Å
114W95.2Very high81.4Confident25 Ų2559.5 Ų59.510%0.09532%0.323CS..SBendtrans-92.5-21.1178.4-56.3-75.3000112.9R13 E110 H206R13-W114 HydrophobicContact CB-CB 4.14Å; R13-W114 HydrophobicContact CG-CB 3.84Å; R13-W114 HydrophobicContact CG-CG 3.87Å; R13-W114 VanDerWaalsContact NH2-CZ2 3.29Å; E110-W114 HydrophobicContact CB-CZ2 4.43Å; E110-W114 PolarHBondContact OE1-NE1 2.97Å; E110-W114 PolarHBondContact OE2-NE1 2.89Å; W114-H206 HydrophobicContact CE3-CB 4.04Å; W114-H206 HydrophobicContact CH2-CB 4.45Å; W114-H206 HydrophobicContact CZ3-CB 3.76Å
115Y96.8Very high83.8Confident0 Ų056.3 Ų56.30%030%0.3CS..SBendtrans-116.8146.6-170.1-51.1-79.6000112.1R13 P17 D113 F117 P122 V134 L204 H238 I242R13-Y115 WeakPolarHBondContact CD-OH 3.14Å; R13-Y115 PolarHBondContact NH1-OH 3.03Å; P17-Y115 HydrophobicContact CB-CE1 3.82Å; P17-Y115 HydrophobicContact CG-CD1 4.17Å; P17-Y115 HydrophobicContact CG-CE1 3.76Å; D113-Y115 PolarHBondContact OD1-N 3.47Å; D113-Y115 VanDerWaalsContact OD1-N 3.12Å; Y115-F117 PolarHBondContact O-N 3.49Å; Y115-P122 HydrophobicContact CD1-CB 4.25Å; Y115-P122 HydrophobicContact CE1-CB 4.28Å; Y115-V134 WeakPolarHBondContact O-CG2 3.33Å; Y115-L204 VanDerWaalsContact CE2-O 3.3Å; Y115-L204 WeakPolarHBondContact CE2-O 3.45Å; Y115-H238 PolarHBondContact O-CE1 3.05Å; Y115-I242 HydrophobicContact CD2-CD1 3.43Å; Y115-I242 VanDerWaalsContact CD2-CD1 3.43Å; Y115-I242 HydrophobicContact CD2-CG1 4.02Å; Y115-I242 HydrophobicContact CE2-CD1 4.15Å; Y115-I242 HydrophobicContact CE2-CG2 4.25Å; Y115-I242 HydrophobicContact CG-CD1 3.87Å; Y115-I242 HydrophobicContact CG-CG1 4.09Å
116C97.1Very high86.4Confident0 Ų049.4 Ų49.40%027%0.27CS..BIsolated β-bridgetrans-64.7130.9-178.91750000112.2D118 H120 L121 V125 V134 H136 H238C116-D118 PolarHBondContact O-N 3.28Å; C116-D118 PolarHBondContact SG-N 3.4Å; C116-H120 WeakPolarHBondContact O-CA 3.5Å; C116-H120 PolarHBondContact O-N 3.42Å; C116-L121 PolarHBondContact N-O 3.45Å; C116-V125 HydrophobicContact CB-CG1 4.47Å; C116-V134 CarbonylContact C-O 3.6Å; C116-V134 WeakPolarHBondContact CA-O 3.26Å; C116-H136 VanDerWaalsContact CB-CE1 3.47Å; C116-H136 WeakPolarHBondContact CB-CE1 3.47Å; C116-H136 WeakPolarHBondContact CB-ND1 3.35Å; C116-H136 PolarHBondContact SG-N 2.82Å; C116-H238 PolarHBondContact O-CE1 3.15Å
117F96.4Very high88.8Confident0 Ų044.3 Ų44.30%024%0.244CC..THydrogen-bonded Turntrans-69.8-11.7-180-97-95.7000116D113 Y115 F132 R133 V134 Y135 Q234 M235 H238D113-F117 HydrophobicContact CB-CE2 3.8Å; Y115-F117 PolarHBondContact O-N 3.49Å; F117-F132 HydrophobicContact CE2-CE2 4.48Å; F117-F132 HydrophobicContact CZ-CE2 4Å; F117-R133 HydrophobicContact CD1-CB 4.43Å; F117-R133 HydrophobicContact CD1-CG 3.95Å; F117-R133 HydrophobicContact CD2-CB 3.66Å; F117-R133 HydrophobicContact CD2-CG 3.86Å; F117-R133 HydrophobicContact CE1-CG 3.87Å; F117-R133 HydrophobicContact CE2-CB 3.95Å; F117-R133 HydrophobicContact CE2-CG 3.77Å; F117-R133 HydrophobicContact CG-CB 3.92Å; F117-R133 HydrophobicContact CG-CG 3.95Å; F117-R133 HydrophobicContact CZ-CB 4.47Å; F117-R133 HydrophobicContact CZ-CG 3.78Å; F117-V134 PolarHBondContact N-O 3.44Å; F117-Y135 HydrophobicContact CB-CD1 4.09Å; F117-Y135 HydrophobicContact CB-CE1 3.48Å; F117-Y135 VanDerWaalsContact CB-CE1 3.48Å; F117-Y135 HydrophobicContact CB-CE2 4.04Å; F117-Y135 VanDerWaalsContact CB-CZ 3.45Å; F117-Q234 PolarHBondContact O-NE2 2.67Å; F117-M235 HydrophobicContact CE1-CE 3.48Å; F117-M235 VanDerWaalsContact CE1-CE 3.48Å; F117-M235 HydrophobicContact CE1-SD 3.68Å; F117-M235 HydrophobicContact CZ-CE 3.6Å; F117-M235 HydrophobicContact CZ-SD 3.58Å; F117-M235 VanDerWaalsContact CZ-SD 3.58Å; F117-H238 AromaticContact CD1-ND1 3.94Å; F117-H238 AromaticContact CD2-CE1 3.72Å; F117-H238 HydrophobicContact CE1-CB 4.18Å; F117-H238 AromaticContact CE1-CG 3.91Å; F117-H238 AromaticContact CE2-CE1 3.74Å; F117-H238 AromaticContact CE2-NE2 3.74Å; F117-H238 AromaticContact CG-ND1 3.93Å; F117-H238 AromaticContact CZ-CD2 3.85Å; F117-H238 AromaticContact CZ-NE2 3.91Å
118D95.6Very high90.7Very high86 Ų8637.8 Ų37.846%0.4622%0.22SC..THydrogen-bonded Turntrans-95-56.1177.2175.878.1000111.7C116 Y135 C139C116-D118 PolarHBondContact O-N 3.28Å; C116-D118 PolarHBondContact SG-N 3.4Å; D118-Y135 HydrophobicContact CB-CD1 4.27Å; D118-C139 HydrophobicContact CB-CB 3.74Å; D118-C139 WeakPolarHBondContact OD2-CB 3.47Å; D118-C139 PolarHBondContact OD2-SG 3.46Å
119C95.9Very high92.6Very high30 Ų3034.5 Ų34.520%0.20321%0.206CC..THydrogen-bonded Turntrans-102.7-3.8-175.981.40000115L121 H136 V246C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.16Å; C119-H136 VanDerWaalsContact SG-CE1 3.54Å; C119-H136 PolarHBondContact SG-ND1 3.25Å; C119-V246 WeakPolarHBondContact O-CG1 3.33Å
120H96.5Very high94.1Very high18 Ų1833.6 Ų33.68%0.08319%0.187CC..  trans60.819.3178.6-37.7-65000115.7C116 H238 A241 V246C116-H120 WeakPolarHBondContact O-CA 3.5Å; C116-H120 PolarHBondContact O-N 3.42Å; H120-H238 WeakPolarHBondContact ND1-CA 3.32Å; H120-H238 AromaticContact ND1-CG 3.74Å; H120-H238 AromaticContact ND1-ND1 3.17Å; H120-H238 PolarHBondContact ND1-ND1 3.02Å; H120-H238 VanDerWaalsContact ND1-ND1 3.17Å; H120-A241 HydrophobicContact CB-CB 3.55Å; H120-A241 VanDerWaalsContact CD2-CB 3.43Å; H120-A241 WeakPolarHBondContact CD2-CB 3.5Å; H120-A241 VanDerWaalsContact CG-CB 3.41Å; H120-V246 HydrophobicContact CB-CG1 3.91Å
121L96.2Very high94.8Very high64 Ų6431.1 Ų31.134%0.33518%0.178SC..  trans-104.1154.2-178.6-63.5178.7000112.3C116 C119 H136 V246C116-L121 PolarHBondContact N-O 3.45Å; C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.16Å; L121-H136 PolarHBondContact O-CE1 3.05Å; L121-V246 HydrophobicContact CD2-CG1 4.28Å
122P96.1Very high95.2Very high22 Ų2228.9 Ų28.914%0.14316%0.157CC..  trans-63.7170.6170.329.4-39000112.4R13 A15 Y115 H136R13-P122 WeakPolarHBondContact O-CB 3.41Å; A15-P122 WeakPolarHBondContact O-CG 3.47Å; Y115-P122 HydrophobicContact CD1-CB 4.25Å; Y115-P122 HydrophobicContact CE1-CB 4.28Å; P122-H136 PolarHBondContact O-CE1 3.36Å; P122-H136 PolarHBondContact O-NE2 2.88Å
123G95.2Very high95.2Very high10 Ų1027.8 Ų27.810%0.10315%0.151CC..SBendtrans140.1-164.8168.900000115.1K12 R13 Q14 V125K12-G123 PolarHBondContact N-O 3.48Å; R13-G123 PolarHBondContact O-N 2.88Å; Q14-G123 VanDerWaalsContact NE2-C 3.29Å; Q14-G123 PolarHBondContact NE2-O 2.87Å; G123-V125 PolarHBondContact O-N 3.44Å
124D95.4Very high95.3Very high66 Ų6627.8 Ų27.835%0.35315%0.151SC..EExtended strand (participates in β ladder)trans-79.4109.8175.3-67.4-14.6000109.3V9 R11 Q14 H136V9-D124 VanDerWaalsContact CG1-C 3.44Å; V9-D124 HydrophobicContact CG1-CB 3.75Å; R11-D124 WeakPolarHBondContact CB-OD1 3.39Å; R11-D124 WeakPolarHBondContact CG-OD1 3.46Å; R11-D124 IonicContact CZ-OD1 3.72Å; R11-D124 IonicContact CZ-OD2 2.84Å; R11-D124 IonicContact NE-OD1 2.92Å; R11-D124 PolarHBondContact NE-OD1 2.79Å; R11-D124 IonicContact NE-OD2 2.72Å; R11-D124 IonicContact NH2-OD1 3.67Å; R11-D124 IonicContact NH2-OD2 3.87Å; R11-D124 PolarHBondContact NH2-OD2 2.82Å; Q14-D124 PolarHBondContact NE2-OD1 3.46Å; D124-H136 PolarHBondContact O-CD2 3.12Å
125V95.4Very high95.4Very high0 Ų026.9 Ų26.90%015%0.148CC..EExtended strand (participates in β ladder)trans-122.8154.5-166.9-69.50000113V9 V10 K12 C116 G123 V134 H136V9-V125 CarbonylContact C-O 3.21Å; V9-V125 WeakPolarHBondContact CA-O 3.21Å; V10-V125 HydrophobicContact CG2-CG2 4.27Å; V10-V125 WeakPolarHBondContact CG2-O 3.43Å; V10-V125 PolarHBondContact N-O 2.81Å; V10-V125 PolarHBondContact O-N 3.46Å; K12-V125 HydrophobicContact CB-CG2 3.85Å; K12-V125 HydrophobicContact CG-CG2 3.41Å; K12-V125 VanDerWaalsContact CG-CG2 3.41Å; C116-V125 HydrophobicContact CB-CG1 4.47Å; G123-V125 PolarHBondContact O-N 3.44Å; V125-V134 HydrophobicContact CB-CB 3.99Å; V125-V134 HydrophobicContact CB-CG2 4.02Å; V125-V134 HydrophobicContact CG1-CG2 4.16Å; V125-V134 HydrophobicContact CG2-CB 3.83Å; V125-V134 HydrophobicContact CG2-CG1 4.36Å; V125-V134 HydrophobicContact CG2-CG2 3.81Å; V125-H136 WeakPolarHBondContact CG1-CD2 3.45Å
126L94.9Very high95.3Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-94.1118.8173.6-175.268.9000109.6R8 V134 Y135 L140 P146 W153R8-L126 HydrophobicContact CB-CD1 3.4Å; R8-L126 VanDerWaalsContact CB-CD1 3.4Å; R8-L126 HydrophobicContact CG-CD1 4.46Å; L126-V134 WeakPolarHBondContact O-CA 3.41Å; L126-Y135 WeakPolarHBondContact CB-O 3.27Å; L126-Y135 PolarHBondContact N-O 2.9Å; L126-Y135 PolarHBondContact O-N 2.75Å; L126-L140 HydrophobicContact CD2-CD1 3.93Å; L126-P146 HydrophobicContact CD2-CG 3.86Å; L126-W153 HydrophobicContact CD2-CD2 3.6Å; L126-W153 HydrophobicContact CD2-CE3 3.75Å; L126-W153 HydrophobicContact CD2-CG 4.24Å; L126-W153 HydrophobicContact CD2-CH2 3.84Å; L126-W153 HydrophobicContact CD2-CZ2 3.71Å; L126-W153 HydrophobicContact CD2-CZ3 3.85Å; L126-W153 HydrophobicContact CG-CD2 4.17Å; L126-W153 HydrophobicContact CG-CE3 3.83Å; L126-W153 HydrophobicContact CG-CH2 4.24Å; L126-W153 HydrophobicContact CG-CZ3 3.85Å
127P94.8Very high95.1Very high24 Ų2428.4 Ų28.416%0.15616%0.155CC..EExtended strand (participates in β ladder)trans-80.5151.217632.8-30.8000111.4R8 V10 V134 W153R8-P127 WeakPolarHBondContact O-CD 3.31Å; V10-P127 HydrophobicContact CG1-CG 4.34Å; V10-P127 HydrophobicContact CG2-CG 4.2Å; P127-V134 HydrophobicContact CB-CG1 4.31Å; P127-W153 WeakPolarHBondContact O-CZ3 3.24Å
128C94.1Very high95Very high1 Ų136 Ų361%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-95.2125.2179.2178.10000111.3H112 N130 C131 R133 W153 C155H112-C128 PolarHBondContact NE2-O 3.44Å; H112-C128 VanDerWaalsContact NE2-O 3.16Å; C128-N130 PolarHBondContact O-N 3.16Å; C128-C131 WeakPolarHBondContact CB-O 3.44Å; C128-C131 PolarHBondContact O-N 3.49Å; C128-R133 VanDerWaalsContact CB-O 3.26Å; C128-R133 WeakPolarHBondContact CB-O 3.01Å; C128-R133 PolarHBondContact N-O 2.85Å; C128-W153 HydrophobicContact CB-CE3 4.36Å; C128-W153 HydrophobicContact CB-CZ3 3.89Å; C128-C155 HydrophobicContact CB-CB 3.92Å; C128-C155 PolarHBondContact SG-N 2.88Å
129D93.2Very high95Very high64 Ų6433 Ų3334%0.34217%0.174SC..THydrogen-bonded Turntrans-68.2-2.3-176.1-54.6-4.7000113.4R8 H152 W153R8-D129 IonicContact CZ-OD2 2.87Å; R8-D129 IonicContact NH2-OD1 3.87Å; R8-D129 PolarHBondContact NH2-OD1 3.35Å; R8-D129 IonicContact NH2-OD2 3.92Å; R8-D129 PolarHBondContact NH2-OD2 3.4Å; D129-H152 VanDerWaalsContact C-CE1 3.4Å; D129-H152 WeakPolarHBondContact CB-CE1 3.36Å; D129-H152 WeakPolarHBondContact CB-ND1 3.37Å; D129-H152 PolarHBondContact O-CE1 3.32Å; D129-H152 WeakPolarHBondContact OD2-CA 3.49Å; D129-H152 IonicContact OD2-CG 3.2Å; D129-H152 IonicContact OD2-ND1 2.73Å; D129-H152 PolarHBondContact OD2-ND1 3.15Å; D129-W153 WeakPolarHBondContact CB-O 3.11Å; D129-W153 PolarHBondContact N-O 3.42Å; D129-W153 PolarHBondContact OD2-N 2.9Å
130N91.8Very high94.8Very high83 Ų8331.9 Ų31.944%0.44417%0.166SC..THydrogen-bonded Turntrans-122.2-9.9-177.5-88.993000115.3C128 H152 Q154 C158C128-N130 PolarHBondContact O-N 3.16Å; N130-H152 PolarHBondContact OD1-CE1 3.43Å; N130-H152 PolarHBondContact OD1-NE2 3.06Å; N130-Q154 VanDerWaalsContact OD1-CG 3.31Å; N130-Q154 WeakPolarHBondContact OD1-CG 3.33Å; N130-Q154 PolarHBondContact OD1-NE2 2.97Å; N130-C158 HydrophobicContact CB-CB 4.03Å
131C93.4Very high94.5Very high27 Ų2734.3 Ų34.318%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-162.5162.8173.467.40000111.1C128 R133 C158C128-C131 WeakPolarHBondContact CB-O 3.44Å; C128-C131 PolarHBondContact O-N 3.49Å; C131-R133 PolarHBondContact O-N 3.28Å; C131-C158 PolarHBondContact SG-SG 3.33Å
132F95Very high94Very high47 Ų4738.2 Ų38.221%0.20620%0.2CC..EExtended strand (participates in β ladder)trans-59.9-5.3-178.565.3-91.9000116.3S111 H112 D113 F117 H206 T207 M235S111-F132 WeakPolarHBondContact O-CB 3.5Å; H112-F132 CarbonylContact C-O 3.56Å; H112-F132 WeakPolarHBondContact CA-O 3.06Å; D113-F132 HydrophobicContact CB-CD2 4.39Å; D113-F132 PolarHBondContact N-O 3.33Å; F117-F132 HydrophobicContact CE2-CE2 4.48Å; F117-F132 HydrophobicContact CZ-CE2 4Å; F132-H206 VanDerWaalsContact CB-CE1 3.45Å; F132-H206 WeakPolarHBondContact CB-CE1 3.49Å; F132-H206 AromaticContact CD2-CE1 3.5Å; F132-H206 AromaticContact CD2-ND1 3.38Å; F132-H206 WeakPolarHBondContact CD2-ND1 3.47Å; F132-H206 AromaticContact CE2-ND1 3.81Å; F132-H206 AromaticContact CG-CE1 3.53Å; F132-H206 AromaticContact CG-ND1 3.89Å; F132-T207 WeakPolarHBondContact CE2-OG1 3.36Å; F132-T207 HydrophobicContact CZ-CG2 3.96Å; F132-T207 WeakPolarHBondContact CZ-OG1 3.38Å; F132-M235 HydrophobicContact CE2-CE 3.65Å; F132-M235 HydrophobicContact CE2-SD 4.19Å; F132-M235 HydrophobicContact CZ-CE 3.41Å; F132-M235 VanDerWaalsContact CZ-CE 3.41Å; F132-M235 HydrophobicContact CZ-SD 4.33Å
133R95.7Very high93.6Very high17 Ų1744.7 Ų44.76%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-73.4136.9-175.3-61.3-175.1174.178.9-0111.9F117 C128 C131 Y135 A231F117-R133 HydrophobicContact CD1-CB 4.43Å; F117-R133 HydrophobicContact CD1-CG 3.95Å; F117-R133 HydrophobicContact CD2-CB 3.66Å; F117-R133 HydrophobicContact CD2-CG 3.86Å; F117-R133 HydrophobicContact CE1-CG 3.87Å; F117-R133 HydrophobicContact CE2-CB 3.95Å; F117-R133 HydrophobicContact CE2-CG 3.77Å; F117-R133 HydrophobicContact CG-CB 3.92Å; F117-R133 HydrophobicContact CG-CG 3.95Å; F117-R133 HydrophobicContact CZ-CB 4.47Å; F117-R133 HydrophobicContact CZ-CG 3.78Å; C128-R133 VanDerWaalsContact CB-O 3.26Å; C128-R133 WeakPolarHBondContact CB-O 3.01Å; C128-R133 PolarHBondContact N-O 2.85Å; C131-R133 PolarHBondContact O-N 3.28Å; R133-Y135 HydrophobicContact CB-CE2 3.87Å; R133-A231 PolarHBondContact NH2-O 3.28Å
134V96.1Very high93.2Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-121.2152.5178.8-51.30000111.9H112 D113 Y115 C116 F117 V125 L126 P127H112-V134 HydrophobicContact CB-CG1 3.84Å; D113-V134 HydrophobicContact CB-CG2 4.36Å; D113-V134 VanDerWaalsContact O-CG1 3.31Å; D113-V134 WeakPolarHBondContact O-CG1 3.38Å; D113-V134 WeakPolarHBondContact O-CG2 3.33Å; Y115-V134 WeakPolarHBondContact O-CG2 3.33Å; C116-V134 CarbonylContact C-O 3.6Å; C116-V134 WeakPolarHBondContact CA-O 3.26Å; F117-V134 PolarHBondContact N-O 3.44Å; V125-V134 HydrophobicContact CB-CB 3.99Å; V125-V134 HydrophobicContact CB-CG2 4.02Å; V125-V134 HydrophobicContact CG1-CG2 4.16Å; V125-V134 HydrophobicContact CG2-CB 3.83Å; V125-V134 HydrophobicContact CG2-CG1 4.36Å; V125-V134 HydrophobicContact CG2-CG2 3.81Å; L126-V134 WeakPolarHBondContact O-CA 3.41Å; P127-V134 HydrophobicContact CB-CG1 4.31Å
135Y96.9Very high92.9Very high5 Ų543.7 Ų43.72%0.0222%0.219CC..EExtended strand (participates in β ladder)trans-141.4138.7-176.4-63.5-99.7000111.9F117 D118 L126 R133 L140 W153 C155 V156F117-Y135 HydrophobicContact CB-CD1 4.09Å; F117-Y135 HydrophobicContact CB-CE1 3.48Å; F117-Y135 VanDerWaalsContact CB-CE1 3.48Å; F117-Y135 HydrophobicContact CB-CE2 4.04Å; F117-Y135 VanDerWaalsContact CB-CZ 3.45Å; D118-Y135 HydrophobicContact CB-CD1 4.27Å; L126-Y135 WeakPolarHBondContact CB-O 3.27Å; L126-Y135 PolarHBondContact N-O 2.9Å; L126-Y135 PolarHBondContact O-N 2.75Å; R133-Y135 HydrophobicContact CB-CE2 3.87Å; Y135-L140 HydrophobicContact CD1-CD2 3.95Å; Y135-L140 HydrophobicContact CG-CD2 3.9Å; Y135-W153 AromaticContact CD2-CH2 3.88Å; Y135-W153 HydrophobicContact CD2-CH2 3.88Å; Y135-W153 HydrophobicContact CG-CH2 4.47Å; Y135-C155 HydrophobicContact CD2-CB 3.96Å; Y135-C155 HydrophobicContact CE2-CB 3.38Å; Y135-V156 HydrophobicContact CE1-CG2 4.11Å
136H95.4Very high92.4Very high13 Ų1344 Ų446%0.0622%0.222CC..  trans-67.4142.5167-58.3126.5000109.9C116 C119 L121 P122 D124 V125 K138 C139C116-H136 VanDerWaalsContact CB-CE1 3.47Å; C116-H136 WeakPolarHBondContact CB-CE1 3.47Å; C116-H136 WeakPolarHBondContact CB-ND1 3.35Å; C116-H136 PolarHBondContact SG-N 2.82Å; C119-H136 VanDerWaalsContact SG-CE1 3.54Å; C119-H136 PolarHBondContact SG-ND1 3.25Å; L121-H136 PolarHBondContact O-CE1 3.05Å; P122-H136 PolarHBondContact O-CE1 3.36Å; P122-H136 PolarHBondContact O-NE2 2.88Å; D124-H136 PolarHBondContact O-CD2 3.12Å; V125-H136 WeakPolarHBondContact CG1-CD2 3.45Å; H136-K138 HydrophobicContact CB-CG 3.84Å; H136-K138 PolarHBondContact O-N 2.74Å; H136-K138 VanDerWaalsContact O-N 3.14Å; H136-C139 HydrophobicContact CB-CB 4.21Å; H136-C139 WeakPolarHBondContact O-CB 3.25Å; H136-C139 PolarHBondContact O-N 3.19Å
137L92.8Very high91.7Very high19 Ų1954.8 Ų54.810%0.09926%0.262CS..G310 helixtrans-59.3-29.2178.7-17167.9000113.1M1 I5 M6 C139 K145 P146M1-L137 HydrophobicContact CE-CD2 4.23Å; M1-L137 HydrophobicContact SD-CD2 4.21Å; I5-L137 HydrophobicContact CG2-CD1 3.89Å; I5-L137 HydrophobicContact CG2-CD2 3.74Å; M6-L137 HydrophobicContact SD-CD2 4.47Å; L137-C139 VanDerWaalsContact C-N 3.33Å; L137-K145 HydrophobicContact CD1-CB 4.39Å; L137-K145 HydrophobicContact CD1-CD 4.29Å; L137-K145 HydrophobicContact CD1-CG 4.06Å; L137-K145 VanDerWaalsContact O-CE 3.32Å; L137-K145 WeakPolarHBondContact O-CE 3.38Å; L137-P146 HydrophobicContact CD1-CG 4.49Å
138K93.9Very high91Very high159 Ų15956.1 Ų56.169%0.69127%0.268SS*.G310 helixtrans-72.7-20.6174.965.1176.8-178.1177.80114.3H136H136-K138 HydrophobicContact CB-CG 3.84Å; H136-K138 PolarHBondContact O-N 2.74Å; H136-K138 VanDerWaalsContact O-N 3.14Å
139C95.5Very high89.9Confident23 Ų2356.8 Ų56.816%0.15528%0.275CS..G310 helixtrans-92.1-5.4-178.1-76.20000112.9D118 H136 L137D118-C139 HydrophobicContact CB-CB 3.74Å; D118-C139 WeakPolarHBondContact OD2-CB 3.47Å; D118-C139 PolarHBondContact OD2-SG 3.46Å; H136-C139 HydrophobicContact CB-CB 4.21Å; H136-C139 WeakPolarHBondContact O-CB 3.25Å; H136-C139 PolarHBondContact O-N 3.19Å; L137-C139 VanDerWaalsContact C-N 3.33Å
140L92.7Very high88.8Confident8 Ų857.1 Ų57.14%0.04229%0.293CS..SBendtrans-93.5134.5178.1-68.1171.4000110.5L126 Y135 K145 W153 V156L126-L140 HydrophobicContact CD2-CD1 3.93Å; Y135-L140 HydrophobicContact CD1-CD2 3.95Å; Y135-L140 HydrophobicContact CG-CD2 3.9Å; L140-K145 HydrophobicContact CB-CG 3.92Å; L140-K145 WeakPolarHBondContact O-CE 3.28Å; L140-W153 HydrophobicContact CD1-CH2 4.1Å; L140-W153 HydrophobicContact CD1-CZ2 3.55Å; L140-W153 HydrophobicContact CD2-CH2 4.43Å; L140-W153 HydrophobicContact CD2-CZ2 4.06Å; L140-W153 HydrophobicContact CG-CZ2 4.48Å; L140-V156 HydrophobicContact CD2-CG1 4.38Å
141P89.5Confident88.2Confident68 Ų6855.3 Ų55.344%0.44229%0.287SS..  trans-53.6149.1162.9-2534.2000111.3E143 C144 K145P141-E143 VanDerWaalsContact C-N 3.3Å; P141-E143 HydrophobicContact CB-CG 4.01Å; P141-E143 PolarHBondContact O-N 3.35Å; P141-C144 HydrophobicContact CB-CB 4.35Å; P141-C144 WeakPolarHBondContact O-CA 3.49Å; P141-C144 WeakPolarHBondContact O-CB 3.41Å; P141-C144 PolarHBondContact O-N 2.9Å; P141-K145 PolarHBondContact O-N 3.39Å
142E86.9Confident87.9Confident146 Ų14659.9 Ų59.968%0.68231%0.306SS*.G310 helixtrans-57.3-42-173-156.363.8-140.200112.7C144 K145E142-C144 PolarHBondContact O-N 2.99Å; E142-K145 PolarHBondContact O-N 3.12Å; E142-K145 IonicContact OE1-NZ 3.28Å; E142-K145 WeakPolarHBondContact OE2-CE 3.01Å; E142-K145 IonicContact OE2-NZ 3.53Å; E142-K145 PolarHBondContact OE2-NZ 3.01Å
143E86.2Confident87.7Confident159 Ų15957.9 Ų57.974%0.74330%0.297SS*.G310 helixtrans-60.9-22.6173.552.8174.3-155.200114.7P141 R159P141-E143 VanDerWaalsContact C-N 3.3Å; P141-E143 HydrophobicContact CB-CG 4.01Å; P141-E143 PolarHBondContact O-N 3.35Å; E143-R159 PolarHBondContact O-NH1 2.96Å
144C86.8Confident87.6Confident15 Ų1558.6 Ų58.610%0.10130%0.301CS..G310 helixtrans-97-9.4-178.2-73.60000113.6P141 E142 W153 V156 R159P141-C144 HydrophobicContact CB-CB 4.35Å; P141-C144 WeakPolarHBondContact O-CA 3.49Å; P141-C144 WeakPolarHBondContact O-CB 3.41Å; P141-C144 PolarHBondContact O-N 2.9Å; E142-C144 PolarHBondContact O-N 2.99Å; C144-W153 PolarHBondContact O-NE1 3.44Å; C144-V156 HydrophobicContact CB-CG1 3.98Å; C144-R159 PolarHBondContact O-NH2 3.25Å; C144-R159 VanDerWaalsContact O-NH2 3.11Å
145K89.1Confident87.4Confident39 Ų3958.6 Ų58.617%0.1730%0.301CS..SBendtrans-67.4154.5173.9-66.7175.3-168.5173.40111.2L137 L140 P141 E142L137-K145 HydrophobicContact CD1-CB 4.39Å; L137-K145 HydrophobicContact CD1-CD 4.29Å; L137-K145 HydrophobicContact CD1-CG 4.06Å; L137-K145 VanDerWaalsContact O-CE 3.32Å; L137-K145 WeakPolarHBondContact O-CE 3.38Å; L140-K145 HydrophobicContact CB-CG 3.92Å; L140-K145 WeakPolarHBondContact O-CE 3.28Å; P141-K145 PolarHBondContact O-N 3.39Å; E142-K145 PolarHBondContact O-N 3.12Å; E142-K145 IonicContact OE1-NZ 3.28Å; E142-K145 WeakPolarHBondContact OE2-CE 3.01Å; E142-K145 IonicContact OE2-NZ 3.53Å; E142-K145 PolarHBondContact OE2-NZ 3.01Å
146P86.3Confident87Confident7 Ų761 Ų615%0.04532%0.316CS..  trans-65.5143.216829.3-35.1000109.7I5 L126 L137 W153I5-P146 WeakPolarHBondContact CD1-O 3.43Å; I5-P146 HydrophobicContact CG1-CG 4.5Å; I5-P146 HydrophobicContact CG2-CG 3.88Å; L126-P146 HydrophobicContact CD2-CG 3.86Å; L137-P146 HydrophobicContact CD1-CG 4.49Å; P146-W153 HydrophobicContact CB-CB 4.44Å; P146-W153 HydrophobicContact CB-CG 4.18Å
147R80.5Confident86.7Confident226 Ų22661.3 Ų61.385%0.85332%0.319SS*.SBendtrans-80.2-31-179.6-67.1179.8179.7-98.6-1.4112
148D78.5Confident86.5Confident53 Ų5361.4 Ų61.428%0.28332%0.321SS..SBendtrans-149.9174.4-173.464-72.3000109.4G150 S151D148-G150 PolarHBondContact OD2-N 2.95Å; D148-S151 VanDerWaalsContact CG-OG 3.27Å; D148-S151 WeakPolarHBondContact OD1-CB 3.45Å; D148-S151 PolarHBondContact OD1-OG 2.97Å; D148-S151 WeakPolarHBondContact OD2-CB 3.32Å; D148-S151 PolarHBondContact OD2-N 2.82Å; D148-S151 PolarHBondContact OD2-OG 3.3Å
149G71.3Confident86.2Confident14 Ų1458.1 Ų58.114%0.14430%0.304CS..SBendtrans-79.3-29.7-178.600000115.1E4 R8E4-G149 WeakPolarHBondContact O-CA 3.02Å; R8-G149 VanDerWaalsContact CD-O 3.28Å; R8-G149 WeakPolarHBondContact CD-O 3.44Å; R8-G149 WeakPolarHBondContact CG-O 3.49Å; R8-G149 PolarHBondContact NH1-O 3.5Å
150G70.3Confident85.4Confident71 Ų7158 Ų5873%0.73231%0.307SS*.SBendtrans-93.4-25.1-168.700000115.1D148D148-G150 PolarHBondContact OD2-N 2.95Å
151S79.7Confident84.6Confident45 Ų4559 Ų5932%0.31532%0.315SS..SBendtrans-71.9152.8-174.865.90000114.3R8 D148 W153R8-S151 VanDerWaalsContact CZ-O 3.24Å; R8-S151 PolarHBondContact NH1-O 3.1Å; R8-S151 PolarHBondContact NH2-O 3.3Å; D148-S151 VanDerWaalsContact CG-OG 3.27Å; D148-S151 WeakPolarHBondContact OD1-CB 3.45Å; D148-S151 PolarHBondContact OD1-OG 2.97Å; D148-S151 WeakPolarHBondContact OD2-CB 3.32Å; D148-S151 PolarHBondContact OD2-N 2.82Å; D148-S151 PolarHBondContact OD2-OG 3.3Å; S151-W153 PolarHBondContact O-N 3.41Å
152H86.5Confident83.5Confident124 Ų12463 Ų6357%0.57433%0.325SS*.  trans-61.6118.8175.3-175.173.8000111.2D129 N130 Q154D129-H152 VanDerWaalsContact C-CE1 3.4Å; D129-H152 WeakPolarHBondContact CB-CE1 3.36Å; D129-H152 WeakPolarHBondContact CB-ND1 3.37Å; D129-H152 PolarHBondContact O-CE1 3.32Å; D129-H152 WeakPolarHBondContact OD2-CA 3.49Å; D129-H152 IonicContact OD2-CG 3.2Å; D129-H152 IonicContact OD2-ND1 2.73Å; D129-H152 PolarHBondContact OD2-ND1 3.15Å; N130-H152 PolarHBondContact OD1-CE1 3.43Å; N130-H152 PolarHBondContact OD1-NE2 3.06Å; H152-Q154 VanDerWaalsContact NE2-CD 3.29Å; H152-Q154 WeakPolarHBondContact NE2-CG 3.43Å; H152-Q154 PolarHBondContact NE2-NE2 3.3Å
153W91.8Very high82.6Confident5 Ų562.3 Ų62.32%0.01932%0.32CS..  trans-109.4124.8-178.2-17781.2000112.8L126 P127 C128 D129 Y135 L140 C144 P146 S151 C155L126-W153 HydrophobicContact CD2-CD2 3.6Å; L126-W153 HydrophobicContact CD2-CE3 3.75Å; L126-W153 HydrophobicContact CD2-CG 4.24Å; L126-W153 HydrophobicContact CD2-CH2 3.84Å; L126-W153 HydrophobicContact CD2-CZ2 3.71Å; L126-W153 HydrophobicContact CD2-CZ3 3.85Å; L126-W153 HydrophobicContact CG-CD2 4.17Å; L126-W153 HydrophobicContact CG-CE3 3.83Å; L126-W153 HydrophobicContact CG-CH2 4.24Å; L126-W153 HydrophobicContact CG-CZ3 3.85Å; P127-W153 WeakPolarHBondContact O-CZ3 3.24Å; C128-W153 HydrophobicContact CB-CE3 4.36Å; C128-W153 HydrophobicContact CB-CZ3 3.89Å; D129-W153 WeakPolarHBondContact CB-O 3.11Å; D129-W153 PolarHBondContact N-O 3.42Å; D129-W153 PolarHBondContact OD2-N 2.9Å; Y135-W153 AromaticContact CD2-CH2 3.88Å; Y135-W153 HydrophobicContact CD2-CH2 3.88Å; Y135-W153 HydrophobicContact CG-CH2 4.47Å; L140-W153 HydrophobicContact CD1-CH2 4.1Å; L140-W153 HydrophobicContact CD1-CZ2 3.55Å; L140-W153 HydrophobicContact CD2-CH2 4.43Å; L140-W153 HydrophobicContact CD2-CZ2 4.06Å; L140-W153 HydrophobicContact CG-CZ2 4.48Å; C144-W153 PolarHBondContact O-NE1 3.44Å; P146-W153 HydrophobicContact CB-CB 4.44Å; P146-W153 HydrophobicContact CB-CG 4.18Å; S151-W153 PolarHBondContact O-N 3.41Å; W153-C155 HydrophobicContact CH2-CB 3.66Å; W153-C155 HydrophobicContact CZ2-CB 4.27Å; W153-C155 HydrophobicContact CZ3-CB 4.04Å
154Q91.9Very high81.5Confident32 Ų3265.1 Ų65.115%0.1533%0.329CS..  trans-109.7135.3175.9-64.4-179.6-28.400109.8N130 H152 C158 R159N130-Q154 VanDerWaalsContact OD1-CG 3.31Å; N130-Q154 WeakPolarHBondContact OD1-CG 3.33Å; N130-Q154 PolarHBondContact OD1-NE2 2.97Å; H152-Q154 VanDerWaalsContact NE2-CD 3.29Å; H152-Q154 WeakPolarHBondContact NE2-CG 3.43Å; H152-Q154 PolarHBondContact NE2-NE2 3.3Å; Q154-C158 HydrophobicContact CB-CB 4.21Å; Q154-R159 HydrophobicContact CB-CG 3.88Å; Q154-R159 PolarHBondContact O-NE 3.4Å
155C92Very high80.7Confident0 Ų066.7 Ų66.70%034%0.337CS..  trans-71.2171175.773.10000113C128 Y135 W153 V157 C158 R159C128-C155 HydrophobicContact CB-CB 3.92Å; C128-C155 PolarHBondContact SG-N 2.88Å; Y135-C155 HydrophobicContact CD2-CB 3.96Å; Y135-C155 HydrophobicContact CE2-CB 3.38Å; W153-C155 HydrophobicContact CH2-CB 3.66Å; W153-C155 HydrophobicContact CZ2-CB 4.27Å; W153-C155 HydrophobicContact CZ3-CB 4.04Å; C155-V157 PolarHBondContact O-N 3.21Å; C155-V157 VanDerWaalsContact O-N 3.17Å; C155-C158 PolarHBondContact O-N 3.32Å; C155-R159 WeakPolarHBondContact O-CG 3.49Å; C155-R159 PolarHBondContact O-N 3.33Å
156V88.6Confident80.1Confident56 Ų5666.1 Ų66.134%0.33934%0.335SS..Hα-helixtrans-51.9-38.3179.9-62.10000113.3Y135 L140 C144 G160Y135-V156 HydrophobicContact CE1-CG2 4.11Å; L140-V156 HydrophobicContact CD2-CG1 4.38Å; C144-V156 HydrophobicContact CB-CG1 3.98Å; V156-G160 PolarHBondContact O-N 3.46Å
157V89.3Confident80Confident18 Ų1870.4 Ų70.411%0.10936%0.358CS..Hα-helixtrans-67.4-57.6177.8175.80000110.9C155 R159 G160 S161 A231C155-V157 PolarHBondContact O-N 3.21Å; C155-V157 VanDerWaalsContact O-N 3.17Å; V157-R159 PolarHBondContact O-N 2.77Å; V157-G160 WeakPolarHBondContact O-CA 3.46Å; V157-G160 PolarHBondContact O-N 3.48Å; V157-S161 PolarHBondContact O-N 3.29Å; V157-S161 PolarHBondContact O-OG 3.31Å; V157-A231 HydrophobicContact CB-CB 4.36Å; V157-A231 HydrophobicContact CG1-CB 3.41Å; V157-A231 VanDerWaalsContact CG1-CB 3.41Å; V157-A231 HydrophobicContact CG2-CB 3.99Å
158C89.7Confident80.2Confident22 Ų2264.9 Ų64.915%0.14934%0.34CS..Hα-helixtrans-64.4-27.4-176.6-64.10000113.3N130 C131 Q154 C155N130-C158 HydrophobicContact CB-CB 4.03Å; C131-C158 PolarHBondContact SG-SG 3.33Å; Q154-C158 HydrophobicContact CB-CB 4.21Å; C155-C158 PolarHBondContact O-N 3.32Å
159R87.2Confident80.5Confident90 Ų9069.4 Ų69.434%0.3436%0.359SS..Hα-helixtrans-68.2-40.3169.8-70.2-178.5-171.8-156.66.7111.7E143 C144 Q154 C155 V157E143-R159 PolarHBondContact O-NH1 2.96Å; C144-R159 PolarHBondContact O-NH2 3.25Å; C144-R159 VanDerWaalsContact O-NH2 3.11Å; Q154-R159 HydrophobicContact CB-CG 3.88Å; Q154-R159 PolarHBondContact O-NE 3.4Å; C155-R159 WeakPolarHBondContact O-CG 3.49Å; C155-R159 PolarHBondContact O-N 3.33Å; V157-R159 PolarHBondContact O-N 2.77Å
160G78.3Confident81.2Confident20 Ų2072.4 Ų72.421%0.20637%0.37CS..Hα-helixtrans-65.4-37.8-178.600000114.3V156 V157 K162 K163V156-G160 PolarHBondContact O-N 3.46Å; V157-G160 WeakPolarHBondContact O-CA 3.46Å; V157-G160 PolarHBondContact O-N 3.48Å; G160-K162 PolarHBondContact O-N 3.13Å; G160-K163 PolarHBondContact O-N 2.61Å
161S75.6Confident82.1Confident30 Ų3069.2 Ų69.221%0.2134%0.336CS..THydrogen-bonded Turntrans-632.4-177.6-53.70000115.9V157 K163V157-S161 PolarHBondContact O-N 3.29Å; V157-S161 PolarHBondContact O-OG 3.31Å; S161-K163 VanDerWaalsContact C-N 3.34Å
162K67.3Low82.6Confident150 Ų15067.7 Ų67.765%0.65233%0.325SS*.THydrogen-bonded Turntrans-84.6-2.3177.5-63-178.1-173.4173.80113.9G160G160-K162 PolarHBondContact O-N 3.13Å
163K67.2Low82.8Confident133 Ų13364.4 Ų64.458%0.57831%0.309SS*.SBendtrans-73.7143.5178.5-65.7-176.4-159.1147.60111.9G160 S161 N165 E227G160-K163 PolarHBondContact O-N 2.61Å; S161-K163 VanDerWaalsContact C-N 3.34Å; K163-N165 PolarHBondContact O-N 3.13Å; K163-N165 PolarHBondContact O-ND2 3Å; K163-N165 VanDerWaalsContact O-ND2 3.12Å; K163-E227 WeakPolarHBondContact CD-OE1 3.49Å; K163-E227 IonicContact NZ-OE1 2.7Å; K163-E227 PolarHBondContact NZ-OE1 3.13Å
164K64.3Low82.9Confident217 Ų21764.6 Ų64.694%0.94331%0.31SS*.  trans-65.4122.6169.3-70.4-172.4177.4-176.20109.2
165N68.6Low83Confident49 Ų4963 Ų6326%0.26230%0.303SS..  trans-107.9175.9-179.8-83.9-67000111.4K163 T225 F226K163-N165 PolarHBondContact O-N 3.13Å; K163-N165 PolarHBondContact O-ND2 3Å; K163-N165 VanDerWaalsContact O-ND2 3.12Å; N165-T225 VanDerWaalsContact ND2-CB 3.34Å; N165-T225 WeakPolarHBondContact ND2-CB 3.26Å; N165-T225 WeakPolarHBondContact ND2-CG2 3.22Å; N165-F226 WeakPolarHBondContact OD1-CD2 3.4Å
166L77.3Confident83.2Confident26 Ų2669.6 Ų69.614%0.13633%0.327CS..  trans-62.8165.1173.2-82.3178.8000112.4E170 M171 Y174 F226 K272L166-E170 HydrophobicContact CB-CB 4.23Å; L166-E170 HydrophobicContact CD1-CB 4.16Å; L166-E170 HydrophobicContact CD2-CB 4.48Å; L166-M171 HydrophobicContact CB-CB 4.3Å; L166-Y174 HydrophobicContact CD1-CD2 3.51Å; L166-Y174 HydrophobicContact CD1-CE2 3.59Å; L166-F226 HydrophobicContact CD1-CZ 4.12Å; L166-K272 HydrophobicContact CD1-CD 4.15Å; L166-K272 HydrophobicContact CD2-CD 3.93Å; L166-K272 HydrophobicContact CG-CD 4.43Å
167N83.7Confident83.5Confident97 Ų9769.6 Ų69.652%0.51932%0.323SS..  trans-58.4144.3166.6-1766.3000109.9Q169 E170 M171N167-Q169 VanDerWaalsContact C-N 3.25Å; N167-Q169 PolarHBondContact O-N 3.31Å; N167-Q169 VanDerWaalsContact O-N 3.16Å; N167-E170 HydrophobicContact CB-CG 4.33Å; N167-E170 WeakPolarHBondContact CB-OE2 3.36Å; N167-E170 PolarHBondContact N-OE2 3.35Å; N167-E170 PolarHBondContact O-N 3.16Å; N167-M171 PolarHBondContact O-N 3.4Å
168K84.3Confident83.9Confident110 Ų11068.8 Ų68.848%0.47832%0.318SS..Hα-helixtrans-50.1-44-176.8176.8171.1168.3164.90112.1M171 C172 E220 G221K168-M171 PolarHBondContact O-N 3.21Å; K168-C172 WeakPolarHBondContact O-CB 3.41Å; K168-C172 PolarHBondContact O-N 3.24Å; K168-C172 PolarHBondContact O-SG 2.87Å; K168-E220 PolarHBondContact NZ-O 3.42Å; K168-G221 VanDerWaalsContact CE-O 3.25Å; K168-G221 WeakPolarHBondContact CE-O 3.47Å; K168-G221 PolarHBondContact NZ-O 3.42Å
169Q85.9Confident84.1Confident148 Ų14867.8 Ų67.869%0.69231%0.311SS*.Hα-helixtrans-63.5-44.3179.1-69-179.4-11.400113N167 K173N167-Q169 VanDerWaalsContact C-N 3.25Å; N167-Q169 PolarHBondContact O-N 3.31Å; N167-Q169 VanDerWaalsContact O-N 3.16Å; Q169-K173 WeakPolarHBondContact O-CB 3.41Å; Q169-K173 PolarHBondContact O-N 3.44Å
170E86.1Confident84.4Confident78 Ų7868.1 Ų68.136%0.36432%0.316SS..Hα-helixtrans-66.2-44.6176.6-62.818094.100111.1L166 N167 C172 K173 Y174L166-E170 HydrophobicContact CB-CB 4.23Å; L166-E170 HydrophobicContact CD1-CB 4.16Å; L166-E170 HydrophobicContact CD2-CB 4.48Å; N167-E170 HydrophobicContact CB-CG 4.33Å; N167-E170 WeakPolarHBondContact CB-OE2 3.36Å; N167-E170 PolarHBondContact N-OE2 3.35Å; N167-E170 PolarHBondContact O-N 3.16Å; E170-C172 PolarHBondContact O-N 3.1Å; E170-K173 WeakPolarHBondContact O-CB 3.43Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K173 VanDerWaalsContact O-N 3.12Å; E170-Y174 HydrophobicContact CB-CE2 4.3Å; E170-Y174 WeakPolarHBondContact O-CD2 3.26Å; E170-Y174 PolarHBondContact O-N 3.48Å
171M89.2Confident85.1Confident3 Ų370.3 Ų70.32%0.01532%0.318CS..Hα-helixtrans-58.2-48.5176.3-174.5172.869.200111.1L166 N167 K168 K173 Y174 L175 Y223 F226L166-M171 HydrophobicContact CB-CB 4.3Å; N167-M171 PolarHBondContact O-N 3.4Å; K168-M171 PolarHBondContact O-N 3.21Å; M171-K173 VanDerWaalsContact C-N 3.28Å; M171-K173 PolarHBondContact O-N 3.15Å; M171-Y174 PolarHBondContact O-N 2.98Å; M171-Y174 VanDerWaalsContact O-N 3.16Å; M171-L175 HydrophobicContact CG-CD1 3.72Å; M171-L175 HydrophobicContact CG-CG 4.11Å; M171-L175 WeakPolarHBondContact O-CB 3.33Å; M171-L175 WeakPolarHBondContact O-CG 3.4Å; M171-L175 PolarHBondContact O-N 3.43Å; M171-L175 HydrophobicContact SD-CD1 4.36Å; M171-Y223 WeakPolarHBondContact CE-O 3.4Å; M171-F226 HydrophobicContact CG-CD1 4.11Å; M171-F226 HydrophobicContact CG-CE1 3.61Å; M171-F226 HydrophobicContact CG-CZ 4.1Å; M171-F226 HydrophobicContact SD-CD1 4.23Å; M171-F226 HydrophobicContact SD-CE1 4.25Å
172C90.3Very high86Confident13 Ų1369.1 Ų69.19%0.08831%0.31CS..Hα-helixtrans-61.1-33.7175.4-72.20000112.9K168 E170 R176 L218K168-C172 WeakPolarHBondContact O-CB 3.41Å; K168-C172 PolarHBondContact O-N 3.24Å; K168-C172 PolarHBondContact O-SG 2.87Å; E170-C172 PolarHBondContact O-N 3.1Å; C172-R176 WeakPolarHBondContact O-CB 3.45Å; C172-R176 VanDerWaalsContact O-CG 3.3Å; C172-R176 WeakPolarHBondContact O-CG 3.36Å; C172-R176 PolarHBondContact O-N 3.35Å; C172-R176 PolarHBondContact O-NE 2.86Å; C172-L218 HydrophobicContact CB-CD1 4.47Å
173K90.3Very high87.1Confident55 Ų5565.4 Ų65.424%0.23929%0.293CS..Hα-helixtrans-65.4-43.3173.5170-172.3172.6-167.90111.8Q169 E170 M171Q169-K173 WeakPolarHBondContact O-CB 3.41Å; Q169-K173 PolarHBondContact O-N 3.44Å; E170-K173 WeakPolarHBondContact O-CB 3.43Å; E170-K173 PolarHBondContact O-N 2.89Å; E170-K173 VanDerWaalsContact O-N 3.12Å; M171-K173 VanDerWaalsContact C-N 3.28Å; M171-K173 PolarHBondContact O-N 3.15Å
174Y93.8Very high88.2Confident9 Ų964.5 Ų64.54%0.03529%0.291CS..Hα-helixtrans-75.4-45.9-179.6-68.7-62.7000113.5L166 E170 M171 R176 F177 L268 F275 Y276L166-Y174 HydrophobicContact CD1-CD2 3.51Å; L166-Y174 HydrophobicContact CD1-CE2 3.59Å; E170-Y174 HydrophobicContact CB-CE2 4.3Å; E170-Y174 WeakPolarHBondContact O-CD2 3.26Å; E170-Y174 PolarHBondContact O-N 3.48Å; M171-Y174 PolarHBondContact O-N 2.98Å; M171-Y174 VanDerWaalsContact O-N 3.16Å; Y174-R176 PolarHBondContact O-N 3.06Å; Y174-F177 PolarHBondContact O-N 2.92Å; Y174-L268 HydrophobicContact CD1-CD1 3.56Å; Y174-L268 HydrophobicContact CD2-CD1 3.78Å; Y174-L268 HydrophobicContact CE1-CD1 3.96Å; Y174-L268 HydrophobicContact CE2-CD1 4.22Å; Y174-L268 HydrophobicContact CG-CD1 3.44Å; Y174-L268 VanDerWaalsContact CG-CD1 3.44Å; Y174-L268 HydrophobicContact CG-CD2 4.17Å; Y174-L268 HydrophobicContact CG-CG 4.46Å; Y174-F275 AromaticContact CD1-CD1 3.6Å; Y174-F275 HydrophobicContact CD1-CD1 3.6Å; Y174-F275 AromaticContact CD1-CE1 3.9Å; Y174-F275 HydrophobicContact CD1-CE1 3.9Å; Y174-F275 HydrophobicContact CE1-CD1 4.16Å; Y174-F275 HydrophobicContact CG-CD1 4.48Å; Y174-Y276 HydrophobicContact CE1-CD2 4.26Å
175L95.1Very high89.2Confident0 Ų059.3 Ų59.30%027%0.266CS..Hα-helixtrans-60.5-26176.8-70.6-178000112.4M171 F177 I178 I179 L218 F226 F229 L265M171-L175 HydrophobicContact CG-CD1 3.72Å; M171-L175 HydrophobicContact CG-CG 4.11Å; M171-L175 WeakPolarHBondContact O-CB 3.33Å; M171-L175 WeakPolarHBondContact O-CG 3.4Å; M171-L175 PolarHBondContact O-N 3.43Å; M171-L175 HydrophobicContact SD-CD1 4.36Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 2.95Å; L175-I178 HydrophobicContact CD2-CD1 4.13Å; L175-I178 PolarHBondContact O-N 3.36Å; L175-I178 VanDerWaalsContact O-N 3.17Å; L175-I179 PolarHBondContact O-N 3.07Å; L175-L218 HydrophobicContact CB-CD1 3.54Å; L175-L218 HydrophobicContact CB-CD2 3.76Å; L175-L218 HydrophobicContact CB-CG 4.32Å; L175-L218 HydrophobicContact CD1-CD1 3.64Å; L175-L218 HydrophobicContact CG-CD1 4.23Å; L175-F226 HydrophobicContact CD2-CD1 3.89Å; L175-F226 HydrophobicContact CD2-CE1 4.04Å; L175-F226 HydrophobicContact CG-CD1 4.33Å; L175-F226 HydrophobicContact CG-CE1 4.16Å; L175-F229 HydrophobicContact CD1-CB 4.07Å; L175-F229 HydrophobicContact CD1-CD2 4Å; L175-F229 HydrophobicContact CD1-CG 3.99Å; L175-F229 HydrophobicContact CD2-CB 4.36Å; L175-F229 HydrophobicContact CD2-CD1 3.52Å; L175-F229 HydrophobicContact CD2-CD2 4.09Å; L175-F229 HydrophobicContact CD2-CE1 3.72Å; L175-F229 HydrophobicContact CD2-CE2 4.25Å; L175-F229 HydrophobicContact CD2-CG 3.72Å; L175-F229 HydrophobicContact CD2-CZ 4.08Å; L175-F229 HydrophobicContact CG-CD2 4.5Å; L175-F229 HydrophobicContact CG-CG 4.45Å; L175-L265 HydrophobicContact CD2-CD2 3.9Å
176R94.9Very high90Very high137 Ų13757.1 Ų57.152%0.51726%0.255SS..Hα-helixtrans-62.2-33.8173.4-91.7179.1-77.9-152.31.1113.5C172 Y174 I179 Q180 L218C172-R176 WeakPolarHBondContact O-CB 3.45Å; C172-R176 VanDerWaalsContact O-CG 3.3Å; C172-R176 WeakPolarHBondContact O-CG 3.36Å; C172-R176 PolarHBondContact O-N 3.35Å; C172-R176 PolarHBondContact O-NE 2.86Å; Y174-R176 PolarHBondContact O-N 3.06Å; R176-I179 WeakPolarHBondContact O-CG2 3.49Å; R176-Q180 WeakPolarHBondContact O-CB 3.37Å; R176-Q180 PolarHBondContact O-N 3.3Å; R176-L218 HydrophobicContact CG-CD2 3.96Å
177F95.6Very high90.3Very high56 Ų5659.2 Ų59.225%0.24627%0.269CS..Hα-helixtrans-70.4-39.1172-67.3-63.7000112Y174 L175 R181 F275 Y276 N279 A280Y174-F177 PolarHBondContact O-N 2.92Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 2.95Å; F177-R181 PolarHBondContact O-N 3.44Å; F177-F275 HydrophobicContact CB-CE1 4.31Å; F177-F275 HydrophobicContact CB-CZ 4.35Å; F177-F275 HydrophobicContact CD2-CE1 4.3Å; F177-Y276 AromaticContact CE2-CD2 3.88Å; F177-Y276 HydrophobicContact CE2-CD2 3.88Å; F177-Y276 AromaticContact CE2-CE2 3.94Å; F177-Y276 HydrophobicContact CE2-CE2 3.94Å; F177-Y276 HydrophobicContact CZ-CD2 4.38Å; F177-Y276 HydrophobicContact CZ-CE2 4.07Å; F177-N279 HydrophobicContact CB-CB 4.17Å; F177-N279 HydrophobicContact CD1-CB 3.66Å; F177-N279 HydrophobicContact CD2-CB 4.06Å; F177-N279 HydrophobicContact CE1-CB 3.96Å; F177-N279 HydrophobicContact CE2-CB 4.34Å; F177-N279 HydrophobicContact CG-CB 3.71Å; F177-N279 HydrophobicContact CZ-CB 4.28Å; F177-A280 HydrophobicContact CZ-CB 4.24Å
178I96.3Very high90Very high1 Ų158.6 Ų58.61%0.00527%0.265CS..Hα-helixtrans-66.7-50.1-179.6-53-173000110.2L175 Q180 R181 M182 F229 T261 E264 L265 F275L175-I178 HydrophobicContact CD2-CD1 4.13Å; L175-I178 PolarHBondContact O-N 3.36Å; L175-I178 VanDerWaalsContact O-N 3.17Å; I178-Q180 VanDerWaalsContact C-N 3.28Å; I178-Q180 PolarHBondContact O-N 2.96Å; I178-R181 PolarHBondContact O-N 3.17Å; I178-R181 VanDerWaalsContact O-N 3.15Å; I178-M182 HydrophobicContact CG2-CG 4.38Å; I178-M182 HydrophobicContact CG2-SD 4.14Å; I178-M182 WeakPolarHBondContact O-CG 3.44Å; I178-M182 PolarHBondContact O-N 3.42Å; I178-F229 HydrophobicContact CB-CE1 4.47Å; I178-F229 HydrophobicContact CB-CZ 4.34Å; I178-F229 HydrophobicContact CG2-CE1 3.95Å; I178-F229 HydrophobicContact CG2-CZ 4.04Å; I178-T261 HydrophobicContact CG2-CG2 4Å; I178-E264 HydrophobicContact CD1-CB 3.78Å; I178-E264 HydrophobicContact CG1-CB 3.83Å; I178-E264 HydrophobicContact CG2-CB 4.06Å; I178-E264 HydrophobicContact CG2-CG 4.47Å; I178-L265 HydrophobicContact CD1-CD2 3.67Å; I178-L265 HydrophobicContact CD1-CG 4.01Å; I178-F275 HydrophobicContact CD1-CZ 4.12Å; I178-F275 HydrophobicContact CG1-CE2 4.48Å; I178-F275 HydrophobicContact CG1-CZ 3.73Å
179I95.3Very high89.8Confident2 Ų254.1 Ų54.11%0.0125%0.246CC..Hα-helixtrans-64.7-32-178.7-161.659.2000112.5L175 R176 M182 K183 V211 I214 H215 L218 F229L175-I179 PolarHBondContact O-N 3.07Å; R176-I179 WeakPolarHBondContact O-CG2 3.49Å; I179-M182 HydrophobicContact CD1-CB 4.22Å; I179-M182 HydrophobicContact CD1-CE 4.22Å; I179-M182 HydrophobicContact CD1-SD 3.77Å; I179-M182 PolarHBondContact O-N 3.48Å; I179-K183 WeakPolarHBondContact O-CG 3.46Å; I179-K183 PolarHBondContact O-N 3.04Å; I179-V211 HydrophobicContact CD1-CG1 3.71Å; I179-V211 HydrophobicContact CG1-CG1 4.48Å; I179-I214 HydrophobicContact CD1-CB 4.01Å; I179-I214 HydrophobicContact CD1-CG2 3.51Å; I179-I214 HydrophobicContact CG1-CG2 4.47Å; I179-H215 HydrophobicContact CG1-CB 3.89Å; I179-L218 HydrophobicContact CB-CD2 4.35Å; I179-L218 HydrophobicContact CG2-CD2 3.85Å; I179-F229 HydrophobicContact CD1-CE2 4.45Å
180Q93.3Very high89.2Confident96 Ų9652.6 Ų52.645%0.44924%0.243SC..Hα-helixtrans-61.6-48173.5178.555.734.900110.8R176 I178 M182 K183 E184R176-Q180 WeakPolarHBondContact O-CB 3.37Å; R176-Q180 PolarHBondContact O-N 3.3Å; I178-Q180 VanDerWaalsContact C-N 3.28Å; I178-Q180 PolarHBondContact O-N 2.96Å; Q180-M182 VanDerWaalsContact C-N 3.32Å; Q180-M182 PolarHBondContact O-N 3.34Å; Q180-K183 PolarHBondContact O-N 2.94Å; Q180-E184 PolarHBondContact NE2-OE1 3.04Å; Q180-E184 PolarHBondContact O-N 3.44Å
181R92.4Very high88.4Confident66 Ų6655.9 Ų55.925%0.24926%0.256CS..Hα-helixtrans-68.8-30177.1-152.3-176.1-63169.415.7112.8F177 I178 R185 E264 N279F177-R181 PolarHBondContact O-N 3.44Å; I178-R181 PolarHBondContact O-N 3.17Å; I178-R181 VanDerWaalsContact O-N 3.15Å; R181-R185 PolarHBondContact O-N 3.02Å; R181-E264 VanDerWaalsContact CZ-CD 3.44Å; R181-E264 IonicContact CZ-OE1 2.71Å; R181-E264 IonicContact CZ-OE2 2.59Å; R181-E264 IonicContact NH1-OE1 3.19Å; R181-E264 PolarHBondContact NH1-OE1 3.48Å; R181-E264 IonicContact NH1-OE2 3.85Å; R181-E264 PolarHBondContact NH1-OE2 3.09Å; R181-E264 IonicContact NH2-OE1 3.7Å; R181-E264 IonicContact NH2-OE2 2.61Å; R181-E264 PolarHBondContact NH2-OE2 3.33Å; R181-N279 PolarHBondContact NH2-OD1 3.05Å
182M94Very high86.9Confident5 Ų560.2 Ų60.23%0.02528%0.275CS..Hα-helixtrans-64.9-44.9170.5-70172.472.500111.6I178 I179 Q180 E184 R185 A186 V211 I214 F229 A233 L257 T261I178-M182 HydrophobicContact CG2-CG 4.38Å; I178-M182 HydrophobicContact CG2-SD 4.14Å; I178-M182 WeakPolarHBondContact O-CG 3.44Å; I178-M182 PolarHBondContact O-N 3.42Å; I179-M182 HydrophobicContact CD1-CB 4.22Å; I179-M182 HydrophobicContact CD1-CE 4.22Å; I179-M182 HydrophobicContact CD1-SD 3.77Å; I179-M182 PolarHBondContact O-N 3.48Å; Q180-M182 VanDerWaalsContact C-N 3.32Å; Q180-M182 PolarHBondContact O-N 3.34Å; M182-E184 VanDerWaalsContact C-N 3.31Å; M182-E184 PolarHBondContact O-N 3.01Å; M182-R185 PolarHBondContact O-N 3.42Å; M182-A186 WeakPolarHBondContact O-CB 3.38Å; M182-A186 PolarHBondContact O-N 3.03Å; M182-V211 HydrophobicContact CB-CG1 4.12Å; M182-I214 HydrophobicContact CE-CD1 4.34Å; M182-F229 HydrophobicContact SD-CE1 4.3Å; M182-F229 HydrophobicContact SD-CZ 3.69Å; M182-A233 HydrophobicContact CE-CB 3.93Å; M182-L257 HydrophobicContact CB-CD1 4.09Å; M182-L257 HydrophobicContact CG-CD1 4.23Å; M182-T261 HydrophobicContact CE-CG2 4.27Å; M182-T261 WeakPolarHBondContact CG-OG1 3.43Å; M182-T261 HydrophobicContact SD-CG2 3.77Å
183K92.1Very high85.5Confident72 Ų7262 Ų6231%0.31330%0.295SS..Hα-helixtrans-57.2-44.3177-75.6-179-177.3-1740111.5I179 Q180 R185 A186 V211 H215I179-K183 WeakPolarHBondContact O-CG 3.46Å; I179-K183 PolarHBondContact O-N 3.04Å; Q180-K183 PolarHBondContact O-N 2.94Å; K183-R185 PolarHBondContact O-N 3.44Å; K183-A186 PolarHBondContact O-N 3.26Å; K183-V211 HydrophobicContact CB-CG1 4.48Å; K183-V211 HydrophobicContact CG-CG1 3.7Å; K183-H215 PolarHBondContact NZ-CD2 2.9Å; K183-H215 PolarHBondContact NZ-CE1 2.97Å; K183-H215 PolarHBondContact NZ-NE2 3.27Å
184E89Confident84.2Confident114 Ų11463.1 Ų63.153%0.53330%0.3SS..Hα-helixtrans-59.5-43.4177.6-71.2160.5-161.200112.6Q180 M182Q180-E184 PolarHBondContact NE2-OE1 3.04Å; Q180-E184 PolarHBondContact O-N 3.44Å; M182-E184 VanDerWaalsContact C-N 3.31Å; M182-E184 PolarHBondContact O-N 3.01Å
185R86Confident83Confident108 Ų10867.2 Ų67.241%0.40832%0.322SS..Hα-helixtrans-80-27.8-179.9-65-176.4-170-146.55.2113.6R181 M182 K183 V187 L257 D260R181-R185 PolarHBondContact O-N 3.02Å; M182-R185 PolarHBondContact O-N 3.42Å; K183-R185 PolarHBondContact O-N 3.44Å; R185-V187 PolarHBondContact O-N 2.76Å; R185-L257 HydrophobicContact CB-CD1 3.85Å; R185-D260 WeakPolarHBondContact CD-OD2 3.12Å; R185-D260 IonicContact CZ-OD1 3.18Å; R185-D260 IonicContact CZ-OD2 3.92Å; R185-D260 IonicContact NE-OD2 3.87Å; R185-D260 IonicContact NH1-OD1 3.42Å; R185-D260 PolarHBondContact NH1-OD1 3.25Å; R185-D260 IonicContact NH1-OD2 3.92Å; R185-D260 PolarHBondContact NH1-OD2 2.94Å
186A86.1Confident82Confident3 Ų371.1 Ų71.13%0.02535%0.347CS..Hα-helixtrans-71.4-14.2-179.400000114.1M182 K183 D188 L189 N190 V211 L257M182-A186 WeakPolarHBondContact O-CB 3.38Å; M182-A186 PolarHBondContact O-N 3.03Å; K183-A186 PolarHBondContact O-N 3.26Å; A186-D188 PolarHBondContact O-N 2.67Å; A186-L189 WeakPolarHBondContact O-CB 3.33Å; A186-L189 PolarHBondContact O-N 3.17Å; A186-N190 PolarHBondContact O-N 2.87Å; A186-V211 HydrophobicContact CB-CB 4.42Å; A186-V211 HydrophobicContact CB-CG2 3.72Å; A186-L257 HydrophobicContact CB-CD2 4.18Å
187V83.3Confident80.9Confident71 Ų7172.9 Ų72.943%0.4336%0.358SS..Hα-helixtrans-53.6-39.7174.9178.80000111.7R185 N190 K191R185-V187 PolarHBondContact O-N 2.76Å; V187-N190 PolarHBondContact O-N 3.19Å; V187-K191 WeakPolarHBondContact O-CG 3.25Å; V187-K191 PolarHBondContact O-N 2.91Å
188D76.5Confident79.9Confident83 Ų8373.1 Ų73.144%0.44436%0.36SS..Hα-helixtrans-75.3-23.8-179.4-69.9-31.8000113.7A186 K191A186-D188 PolarHBondContact O-N 2.67Å; D188-K191 IonicContact OD1-NZ 3.08Å; D188-K191 PolarHBondContact OD1-NZ 3.39Å
189L80Confident79.1Confident16 Ų1677.2 Ų77.28%0.08439%0.387CS..Hα-helixtrans-70.3-45.8169.6-169.765.5000110.1A186 K191 K192 I236 T240 Q250 I253 A254A186-L189 WeakPolarHBondContact O-CB 3.33Å; A186-L189 PolarHBondContact O-N 3.17Å; L189-K191 PolarHBondContact O-N 3.43Å; L189-K192 PolarHBondContact O-N 3.05Å; L189-I236 HydrophobicContact CD2-CG2 3.72Å; L189-T240 HydrophobicContact CD1-CG2 3.99Å; L189-Q250 HydrophobicContact CD1-CB 4.26Å; L189-Q250 WeakPolarHBondContact CD1-O 3.4Å; L189-I253 HydrophobicContact CB-CG2 4.13Å; L189-I253 HydrophobicContact CD1-CB 4.47Å; L189-I253 HydrophobicContact CD1-CG2 4.24Å; L189-A254 HydrophobicContact CD1-CB 4.23Å; L189-A254 HydrophobicContact CD2-CB 4.42Å
190N73.9Confident78.5Confident116 Ų11677.8 Ų77.862%0.6239%0.389SS*.Hα-helixtrans-66.7-35.1-177.8-68.5-5.5000113.1A186 V187 K192 G193A186-N190 PolarHBondContact O-N 2.87Å; V187-N190 PolarHBondContact O-N 3.19Å; N190-K192 PolarHBondContact O-N 3.17Å; N190-K192 VanDerWaalsContact O-N 3.12Å; N190-G193 PolarHBondContact O-N 3.37Å
191K68.8Low78.2Confident148 Ų14874.6 Ų74.664%0.64337%0.373SS*.THydrogen-bonded Turntrans-56.2-26.4175.2-78.1171.5-171.9156.40114.2V187 D188 L189V187-K191 WeakPolarHBondContact O-CG 3.25Å; V187-K191 PolarHBondContact O-N 2.91Å; D188-K191 IonicContact OD1-NZ 3.08Å; D188-K191 PolarHBondContact OD1-NZ 3.39Å; L189-K191 PolarHBondContact O-N 3.43Å
192K58.7Low77.9Confident93 Ų9379.3 Ų79.340%0.40440%0.396SS..THydrogen-bonded Turntrans-109.619.2177.8-59.8-175.7178.6177.90112.1L189 N190 Y244 D249 Q250L189-K192 PolarHBondContact O-N 3.05Å; N190-K192 PolarHBondContact O-N 3.17Å; N190-K192 VanDerWaalsContact O-N 3.12Å; K192-Y244 VanDerWaalsContact O-CE1 3.31Å; K192-Y244 WeakPolarHBondContact O-CE1 3.38Å; K192-Y244 PolarHBondContact O-OH 2.84Å; K192-D249 IonicContact NZ-OD2 3.4Å; K192-D249 PolarHBondContact NZ-OD2 3.33Å; K192-Q250 HydrophobicContact CB-CG 4Å; K192-Q250 HydrophobicContact CD-CG 4.35Å
193G59.6Low77.6Confident50 Ų5081.3 Ų81.352%0.51540%0.403SS..PPolyproline II helixtrans-55.7142.2-176.600000114.6N190 Y244N190-G193 PolarHBondContact O-N 3.37Å; G193-Y244 WeakPolarHBondContact CA-OH 3.43Å
194K64.6Low77.6Confident80 Ų8078 Ų7835%0.34839%0.388SS..PPolyproline II helixtrans-91.6144.1162.7-84.5-159.3166.2-154.70108.1T196 Y244K194-T196 PolarHBondContact O-N 3.1Å; K194-T196 VanDerWaalsContact O-N 3.16Å; K194-Y244 HydrophobicContact CG-CE1 4.06Å; K194-Y244 PolarHBondContact N-OH 3.2Å
195D68.7Low77.7Confident94 Ų9472.9 Ų72.950%0.50337%0.365SS..PPolyproline II helixtrans-61.8117.5178.6-173.35.4000110.9K197 H198D195-K197 PolarHBondContact O-N 3Å; D195-K197 VanDerWaalsContact OD1-CB 3.25Å; D195-K197 WeakPolarHBondContact OD1-CB 2.87Å; D195-K197 WeakPolarHBondContact OD1-CG 3.08Å; D195-K197 PolarHBondContact OD1-N 3.27Å; D195-H198 VanDerWaalsContact O-CB 3.29Å; D195-H198 WeakPolarHBondContact O-CB 3.5Å; D195-H198 PolarHBondContact O-N 3.15Å
196T72.4Confident78.1Confident83 Ų8370 Ų7051%0.50936%0.356SS..THydrogen-bonded Turntrans-70.4-15.117754.90000112.3K194 H198 Y201K194-T196 PolarHBondContact O-N 3.1Å; K194-T196 VanDerWaalsContact O-N 3.16Å; T196-H198 VanDerWaalsContact C-N 3.33Å; T196-Y201 HydrophobicContact CG2-CD2 4.2Å; T196-Y201 HydrophobicContact CG2-CE2 3.74Å
197K71.7Confident78.3Confident173 Ų17371.9 Ų71.975%0.75237%0.367SS*.THydrogen-bonded Turntrans-79.1-14.8173.6-55.2176.2-179-178.30113D195D195-K197 PolarHBondContact O-N 3Å; D195-K197 VanDerWaalsContact OD1-CB 3.25Å; D195-K197 WeakPolarHBondContact OD1-CB 2.87Å; D195-K197 WeakPolarHBondContact OD1-CG 3.08Å; D195-K197 PolarHBondContact OD1-N 3.27Å
198H75.5Confident78.7Confident61 Ų6171.4 Ų71.428%0.28237%0.371SS..SBendtrans-60.1132.4-179.1-161.7-82.6000110.8E28 D195 T196 M200 Y201E28-H198 IonicContact OE1-CE1 3.39Å; D195-H198 VanDerWaalsContact O-CB 3.29Å; D195-H198 WeakPolarHBondContact O-CB 3.5Å; D195-H198 PolarHBondContact O-N 3.15Å; T196-H198 VanDerWaalsContact C-N 3.33Å; H198-M200 WeakPolarHBondContact ND1-CB 3.32Å; H198-M200 PolarHBondContact ND1-N 2.71Å; H198-M200 PolarHBondContact O-N 2.88Å; H198-M200 VanDerWaalsContact O-N 3.07Å; H198-Y201 VanDerWaalsContact O-CB 3.26Å; H198-Y201 WeakPolarHBondContact O-CB 3.28Å; H198-Y201 PolarHBondContact O-N 2.91Å
199P78.9Confident79.4Confident88 Ų8868.6 Ų68.657%0.57136%0.355SS*.Hα-helixtrans-54.3-36.8-175.8-28.535.1000113.7W24 Y201 K202 R203W24-P199 HydrophobicContact CZ3-CB 4.45Å; P199-Y201 VanDerWaalsContact C-N 3.28Å; P199-Y201 PolarHBondContact O-N 3.32Å; P199-K202 PolarHBondContact O-N 2.92Å; P199-R203 PolarHBondContact O-N 3.35Å
200M83.6Confident79.9Confident14 Ų1471.2 Ų71.27%0.06937%0.37CS..Hα-helixtrans-57.2-31.8173.7-163.9172.759.800114.6Q21 W24 H198 R203 L204Q21-M200 HydrophobicContact CB-CE 3.99Å; Q21-M200 HydrophobicContact CB-SD 3.86Å; Q21-M200 HydrophobicContact CG-CE 3.63Å; Q21-M200 HydrophobicContact CG-SD 3.56Å; Q21-M200 VanDerWaalsContact CG-SD 3.56Å; W24-M200 HydrophobicContact CB-SD 4.03Å; W24-M200 HydrophobicContact CD2-CB 4.28Å; W24-M200 HydrophobicContact CD2-CG 3.92Å; W24-M200 HydrophobicContact CD2-SD 3.81Å; W24-M200 HydrophobicContact CE3-CB 3.63Å; W24-M200 HydrophobicContact CE3-CG 3.79Å; W24-M200 HydrophobicContact CE3-SD 3.85Å; W24-M200 HydrophobicContact CG-SD 3.93Å; W24-M200 HydrophobicContact CH2-CB 4.06Å; W24-M200 HydrophobicContact CH2-CG 4.36Å; W24-M200 HydrophobicContact CZ2-CG 4.47Å; W24-M200 HydrophobicContact CZ3-CB 3.51Å; W24-M200 HydrophobicContact CZ3-CG 4.03Å; H198-M200 WeakPolarHBondContact ND1-CB 3.32Å; H198-M200 PolarHBondContact ND1-N 2.71Å; H198-M200 PolarHBondContact O-N 2.88Å; H198-M200 VanDerWaalsContact O-N 3.07Å; M200-R203 PolarHBondContact O-N 3.48Å; M200-R203 VanDerWaalsContact O-N 3.17Å; M200-L204 HydrophobicContact CG-CD1 3.84Å; M200-L204 HydrophobicContact CG-CG 4.16Å; M200-L204 PolarHBondContact O-N 3.04Å; M200-L204 HydrophobicContact SD-CD1 4.41Å
201Y86.3Confident80.8Confident29 Ų2966.3 Ų66.311%0.11434%0.344CS..Hα-helixtrans-60.8-50.6179.9-178.8-82.7000110.2T196 H198 P199 R203 L204 I205 A208 L243T196-Y201 HydrophobicContact CG2-CD2 4.2Å; T196-Y201 HydrophobicContact CG2-CE2 3.74Å; H198-Y201 VanDerWaalsContact O-CB 3.26Å; H198-Y201 WeakPolarHBondContact O-CB 3.28Å; H198-Y201 PolarHBondContact O-N 2.91Å; P199-Y201 VanDerWaalsContact C-N 3.28Å; P199-Y201 PolarHBondContact O-N 3.32Å; Y201-R203 PolarHBondContact O-N 2.96Å; Y201-L204 PolarHBondContact O-N 3.11Å; Y201-L204 VanDerWaalsContact O-N 3.15Å; Y201-I205 HydrophobicContact CD1-CB 4.32Å; Y201-I205 HydrophobicContact CD1-CG1 4.48Å; Y201-I205 HydrophobicContact CD2-CG1 4.15Å; Y201-I205 HydrophobicContact CE1-CB 4Å; Y201-I205 HydrophobicContact CE1-CG1 4.27Å; Y201-I205 HydrophobicContact CE1-CG2 4.07Å; Y201-I205 HydrophobicContact CE2-CG1 3.96Å; Y201-I205 HydrophobicContact CG-CG1 4.41Å; Y201-I205 WeakPolarHBondContact O-CB 3.3Å; Y201-I205 PolarHBondContact O-N 3.12Å; Y201-A208 HydrophobicContact CE1-CB 3.95Å; Y201-L243 HydrophobicContact CD2-CD1 3.93Å; Y201-L243 HydrophobicContact CD2-CD2 4.03Å; Y201-L243 HydrophobicContact CE2-CD1 3.68Å
202K85.9Confident81.9Confident164 Ų16462.2 Ų62.271%0.71333%0.333SS*.Hα-helixtrans-62.6-24.4176.7-65.2-176178.7-178.70113.2P199P199-K202 PolarHBondContact O-N 2.92Å
203R88.1Confident83.6Confident48 Ų4860.1 Ų60.118%0.18133%0.327CS..Hα-helixtrans-81.6-37.2174.3-65.2-164.1-177.4-75-1.5112.3R13 L69 P93 P199 M200 Y201R13-R203 PolarHBondContact NH1-O 2.98Å; R13-R203 PolarHBondContact NH2-O 3.13Å; L69-R203 HydrophobicContact CD2-CB 4.05Å; P93-R203 PolarHBondContact O-NH2 3.29Å; P199-R203 PolarHBondContact O-N 3.35Å; M200-R203 PolarHBondContact O-N 3.48Å; M200-R203 VanDerWaalsContact O-N 3.17Å; Y201-R203 PolarHBondContact O-N 2.96Å
204L91.3Very high85.3Confident1 Ų157.7 Ų57.71%0.00530%0.302CS..Hα-helixtrans-88.9-25.4-177.5-66.2-179.1000114.5P17 V20 Q21 L69 Y115 M200 Y201 I242P17-L204 HydrophobicContact CB-CD2 4.17Å; V20-L204 HydrophobicContact CG1-CD2 4.38Å; Q21-L204 HydrophobicContact CG-CD1 3.62Å; L69-L204 HydrophobicContact CD1-CD2 4.17Å; L69-L204 HydrophobicContact CD2-CD2 4.31Å; Y115-L204 VanDerWaalsContact CE2-O 3.3Å; Y115-L204 WeakPolarHBondContact CE2-O 3.45Å; M200-L204 HydrophobicContact CG-CD1 3.84Å; M200-L204 HydrophobicContact CG-CG 4.16Å; M200-L204 PolarHBondContact O-N 3.04Å; M200-L204 HydrophobicContact SD-CD1 4.41Å; Y201-L204 PolarHBondContact O-N 3.11Å; Y201-L204 VanDerWaalsContact O-N 3.15Å; L204-I242 HydrophobicContact CB-CG2 4.08Å
205I92.7Very high86.7Confident8 Ų856.7 Ų56.74%0.04130%0.298CS..  trans-110.9116.8-175.1-59.8-55.4000110.3Y201 N239 I242 L243Y201-I205 HydrophobicContact CD1-CB 4.32Å; Y201-I205 HydrophobicContact CD1-CG1 4.48Å; Y201-I205 HydrophobicContact CD2-CG1 4.15Å; Y201-I205 HydrophobicContact CE1-CB 4Å; Y201-I205 HydrophobicContact CE1-CG1 4.27Å; Y201-I205 HydrophobicContact CE1-CG2 4.07Å; Y201-I205 HydrophobicContact CE2-CG1 3.96Å; Y201-I205 HydrophobicContact CG-CG1 4.41Å; Y201-I205 WeakPolarHBondContact O-CB 3.3Å; Y201-I205 PolarHBondContact O-N 3.12Å; I205-N239 HydrophobicContact CD1-CB 3.92Å; I205-I242 HydrophobicContact CD1-CB 4.04Å; I205-I242 HydrophobicContact CD1-CD1 4.18Å; I205-I242 HydrophobicContact CD1-CG2 3.92Å; I205-L243 HydrophobicContact CD1-CD1 4.33Å; I205-L243 HydrophobicContact CD1-CD2 4.39Å; I205-L243 HydrophobicContact CD1-CG 4.05Å; I205-L243 HydrophobicContact CG1-CD1 4.29Å; I205-L243 HydrophobicContact CG1-CD2 4.18Å; I205-L243 HydrophobicContact CG1-CG 4.24Å
206H92.8Very high87.9Confident48 Ų4856.7 Ų56.722%0.22230%0.296CS..SBendtrans-71.9-43.8178.5174.1-80.7000112.1E110 D113 W114 F132E110-H206 PolarHBondContact O-NE2 3.08Å; D113-H206 HydrophobicContact CB-CB 4.27Å; D113-H206 WeakPolarHBondContact OD2-CB 3.39Å; W114-H206 HydrophobicContact CE3-CB 4.04Å; W114-H206 HydrophobicContact CH2-CB 4.45Å; W114-H206 HydrophobicContact CZ3-CB 3.76Å; F132-H206 VanDerWaalsContact CB-CE1 3.45Å; F132-H206 WeakPolarHBondContact CB-CE1 3.49Å; F132-H206 AromaticContact CD2-CE1 3.5Å; F132-H206 AromaticContact CD2-ND1 3.38Å; F132-H206 WeakPolarHBondContact CD2-ND1 3.47Å; F132-H206 AromaticContact CE2-ND1 3.81Å; F132-H206 AromaticContact CG-CE1 3.53Å; F132-H206 AromaticContact CG-ND1 3.89Å
207T91.7Very high89Confident42 Ų4254 Ų5426%0.25828%0.278SS..SBendtrans-130105.3179.6-58.30000110.1F132 L209 N239F132-T207 WeakPolarHBondContact CE2-OG1 3.36Å; F132-T207 HydrophobicContact CZ-CG2 3.96Å; F132-T207 WeakPolarHBondContact CZ-OG1 3.38Å; T207-L209 PolarHBondContact O-N 3.12Å; T207-N239 PolarHBondContact O-ND2 2.88Å
208A90.6Very high90Very high61 Ų6146 Ų4650%0.50424%0.243SC..  trans-64.4130.6172.200000109.8Y201Y201-A208 HydrophobicContact CE1-CB 3.95Å
209L91.1Very high90.8Very high23 Ų2348 Ų4812%0.1226%0.26CS..  trans-159.3132.6175.5-164.179.6000110.1T207 N213 I214 D232 M235T207-L209 PolarHBondContact O-N 3.12Å; L209-N213 HydrophobicContact CD1-CB 3.65Å; L209-N213 HydrophobicContact CG-CB 4.34Å; L209-I214 HydrophobicContact CD1-CG1 4.5Å; L209-I214 HydrophobicContact CD2-CD1 4.01Å; L209-I214 HydrophobicContact CD2-CG1 3.79Å; L209-I214 HydrophobicContact CG-CG1 4.12Å; L209-D232 HydrophobicContact CD2-CB 3.63Å; L209-D232 WeakPolarHBondContact CD2-O 3.31Å; L209-M235 HydrophobicContact CB-CB 4.37Å; L209-M235 HydrophobicContact CB-CG 3.98Å; L209-M235 HydrophobicContact CD2-CB 3.79Å; L209-M235 HydrophobicContact CD2-CG 4.2Å
210D90.8Very high91.5Very high72 Ų7249.1 Ų49.139%0.38526%0.258SS..  trans-128.4-175.9169.371.327.4000112.4S212 N213 I214D210-S212 VanDerWaalsContact C-N 3.27Å; D210-S212 PolarHBondContact O-N 3.48Å; D210-S212 VanDerWaalsContact OD1-CA 3.3Å; D210-S212 WeakPolarHBondContact OD1-CA 3.44Å; D210-S212 WeakPolarHBondContact OD1-CB 3.13Å; D210-S212 PolarHBondContact OD1-N 3.31Å; D210-N213 PolarHBondContact N-OD1 3.09Å; D210-N213 VanDerWaalsContact N-OD1 3.09Å; D210-N213 PolarHBondContact O-N 3.24Å; D210-N213 PolarHBondContact OD1-N 2.86Å; D210-N213 PolarHBondContact OD1-OD1 3.05Å; D210-I214 WeakPolarHBondContact O-CG1 3.3Å; D210-I214 PolarHBondContact O-N 3.12Å; D210-I214 VanDerWaalsContact O-N 3.08Å
211V92.9Very high91.7Very high13 Ų1348.9 Ų48.98%0.07926%0.258CS..Hα-helixtrans-68-25.5-178.7-176.70000112.7I179 M182 K183 A186 H215 I236 L257I179-V211 HydrophobicContact CD1-CG1 3.71Å; I179-V211 HydrophobicContact CG1-CG1 4.48Å; M182-V211 HydrophobicContact CB-CG1 4.12Å; K183-V211 HydrophobicContact CB-CG1 4.48Å; K183-V211 HydrophobicContact CG-CG1 3.7Å; A186-V211 HydrophobicContact CB-CB 4.42Å; A186-V211 HydrophobicContact CB-CG2 3.72Å; V211-H215 WeakPolarHBondContact O-CB 3.31Å; V211-H215 PolarHBondContact O-N 3.02Å; V211-H215 VanDerWaalsContact O-N 3.15Å; V211-I236 HydrophobicContact CG2-CD1 3.58Å; V211-L257 HydrophobicContact CG2-CD2 4.4Å
212S91.9Very high91.9Very high61 Ų6152.5 Ų52.543%0.42728%0.275SS..Hα-helixtrans-71.2-45.5173.7-53.80000110.1D210 I214 H215 E216D210-S212 VanDerWaalsContact C-N 3.27Å; D210-S212 PolarHBondContact O-N 3.48Å; D210-S212 VanDerWaalsContact OD1-CA 3.3Å; D210-S212 WeakPolarHBondContact OD1-CA 3.44Å; D210-S212 WeakPolarHBondContact OD1-CB 3.13Å; D210-S212 PolarHBondContact OD1-N 3.31Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.44Å; S212-H215 CarbonylContact O-C 3.52Å; S212-H215 WeakPolarHBondContact O-CA 3.33Å; S212-H215 VanDerWaalsContact O-CB 3.3Å; S212-H215 WeakPolarHBondContact O-CB 3.07Å; S212-H215 PolarHBondContact O-N 2.82Å; S212-E216 WeakPolarHBondContact O-CG 3.36Å; S212-E216 PolarHBondContact O-N 2.99Å
213N93.8Very high92.1Very high49 Ų4945.1 Ų45.126%0.26224%0.242SC..Hα-helixtrans-62.2-38.2175.6-53.3135.4000112.5L209 D210 H215 E216 N217L209-N213 HydrophobicContact CD1-CB 3.65Å; L209-N213 HydrophobicContact CG-CB 4.34Å; D210-N213 PolarHBondContact N-OD1 3.09Å; D210-N213 VanDerWaalsContact N-OD1 3.09Å; D210-N213 PolarHBondContact O-N 3.24Å; D210-N213 PolarHBondContact OD1-N 2.86Å; D210-N213 PolarHBondContact OD1-OD1 3.05Å; N213-H215 VanDerWaalsContact C-N 3.26Å; N213-H215 PolarHBondContact O-N 2.9Å; N213-E216 WeakPolarHBondContact CA-OE2 3.28Å; N213-E216 PolarHBondContact ND2-OE2 3.45Å; N213-E216 VanDerWaalsContact ND2-OE2 3.13Å; N213-E216 PolarHBondContact O-N 3.34Å; N213-N217 VanDerWaalsContact O-CB 3.28Å; N213-N217 WeakPolarHBondContact O-CB 3.22Å; N213-N217 PolarHBondContact O-N 2.98Å; N213-N217 PolarHBondContact O-ND2 3.27Å
214I95.3Very high92Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-62.7-35.6173.2-66.4178.2000111I179 M182 L209 D210 S212 L218 Y223 F229 D232 I236I179-I214 HydrophobicContact CD1-CB 4.01Å; I179-I214 HydrophobicContact CD1-CG2 3.51Å; I179-I214 HydrophobicContact CG1-CG2 4.47Å; M182-I214 HydrophobicContact CE-CD1 4.34Å; L209-I214 HydrophobicContact CD1-CG1 4.5Å; L209-I214 HydrophobicContact CD2-CD1 4.01Å; L209-I214 HydrophobicContact CD2-CG1 3.79Å; L209-I214 HydrophobicContact CG-CG1 4.12Å; D210-I214 WeakPolarHBondContact O-CG1 3.3Å; D210-I214 PolarHBondContact O-N 3.12Å; D210-I214 VanDerWaalsContact O-N 3.08Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.44Å; I214-L218 VanDerWaalsContact O-CB 3.32Å; I214-L218 WeakPolarHBondContact O-CB 3.45Å; I214-L218 PolarHBondContact O-N 2.92Å; I214-Y223 HydrophobicContact CG2-CE2 4.44Å; I214-F229 HydrophobicContact CG2-CD2 3.91Å; I214-F229 HydrophobicContact CG2-CE2 3.52Å; I214-F229 HydrophobicContact CG2-CZ 4.4Å; I214-D232 HydrophobicContact CD1-CB 4.07Å; I214-D232 HydrophobicContact CG1-CB 4.08Å; I214-I236 HydrophobicContact CD1-CD1 3.64Å; I214-I236 HydrophobicContact CD1-CG1 4.3Å
215H94.9Very high91.9Very high58 Ų5851.1 Ų51.127%0.26927%0.271SS..Hα-helixtrans-72.7-39.4177.8-175.174.2000113.1I179 K183 V211 S212 N213 L218 T219I179-H215 HydrophobicContact CG1-CB 3.89Å; K183-H215 PolarHBondContact NZ-CD2 2.9Å; K183-H215 PolarHBondContact NZ-CE1 2.97Å; K183-H215 PolarHBondContact NZ-NE2 3.27Å; V211-H215 WeakPolarHBondContact O-CB 3.31Å; V211-H215 PolarHBondContact O-N 3.02Å; V211-H215 VanDerWaalsContact O-N 3.15Å; S212-H215 CarbonylContact O-C 3.52Å; S212-H215 WeakPolarHBondContact O-CA 3.33Å; S212-H215 VanDerWaalsContact O-CB 3.3Å; S212-H215 WeakPolarHBondContact O-CB 3.07Å; S212-H215 PolarHBondContact O-N 2.82Å; N213-H215 VanDerWaalsContact C-N 3.26Å; N213-H215 PolarHBondContact O-N 2.9Å; H215-L218 PolarHBondContact O-N 3.43Å; H215-T219 WeakPolarHBondContact O-CB 3.43Å; H215-T219 PolarHBondContact O-N 2.89Å; H215-T219 PolarHBondContact O-OG1 2.99Å
216E94.6Very high91.8Very high95 Ų9551.6 Ų51.644%0.44427%0.273SS..Hα-helixtrans-60.4-52.8170.7-70.4153.7-168.400110.1S212 N213 L218 T219 E220S212-E216 WeakPolarHBondContact O-CG 3.36Å; S212-E216 PolarHBondContact O-N 2.99Å; N213-E216 WeakPolarHBondContact CA-OE2 3.28Å; N213-E216 PolarHBondContact ND2-OE2 3.45Å; N213-E216 VanDerWaalsContact ND2-OE2 3.13Å; N213-E216 PolarHBondContact O-N 3.34Å; E216-L218 PolarHBondContact O-N 3.12Å; E216-L218 VanDerWaalsContact O-N 3.15Å; E216-T219 WeakPolarHBondContact O-CA 3.41Å; E216-T219 WeakPolarHBondContact O-CB 3.3Å; E216-T219 PolarHBondContact O-N 2.89Å; E216-E220 PolarHBondContact O-N 3.14Å
217N94Very high91.7Very high27 Ų2751 Ų5114%0.14427%0.27CS..Hα-helixtrans-57.2-33.2177-72.8-15.6000113.1N213 G221 K222 Y223N213-N217 VanDerWaalsContact O-CB 3.28Å; N213-N217 WeakPolarHBondContact O-CB 3.22Å; N213-N217 PolarHBondContact O-N 2.98Å; N213-N217 PolarHBondContact O-ND2 3.27Å; N217-G221 PolarHBondContact O-N 2.86Å; N217-G221 VanDerWaalsContact O-N 3.1Å; N217-K222 HydrophobicContact CB-CB 4.39Å; N217-K222 HydrophobicContact CB-CD 4.02Å; N217-K222 PolarHBondContact O-N 2.92Å; N217-K222 WeakPolarHBondContact OD1-CD 3.43Å; N217-K222 WeakPolarHBondContact OD1-CE 3.22Å; N217-K222 PolarHBondContact OD1-NZ 2.66Å; N217-Y223 HydrophobicContact CB-CE2 3.73Å; N217-Y223 WeakPolarHBondContact CB-OH 3.41Å
218L93.8Very high91.7Very high4 Ų451.7 Ų51.72%0.02127%0.27CS..Hα-helixtrans-72.3-36.8174.4-179.362.3000113C172 L175 R176 I179 I214 H215 E216 G221 Y223C172-L218 HydrophobicContact CB-CD1 4.47Å; L175-L218 HydrophobicContact CB-CD1 3.54Å; L175-L218 HydrophobicContact CB-CD2 3.76Å; L175-L218 HydrophobicContact CB-CG 4.32Å; L175-L218 HydrophobicContact CD1-CD1 3.64Å; L175-L218 HydrophobicContact CG-CD1 4.23Å; R176-L218 HydrophobicContact CG-CD2 3.96Å; I179-L218 HydrophobicContact CB-CD2 4.35Å; I179-L218 HydrophobicContact CG2-CD2 3.85Å; I214-L218 VanDerWaalsContact O-CB 3.32Å; I214-L218 WeakPolarHBondContact O-CB 3.45Å; I214-L218 PolarHBondContact O-N 2.92Å; H215-L218 PolarHBondContact O-N 3.43Å; E216-L218 PolarHBondContact O-N 3.12Å; E216-L218 VanDerWaalsContact O-N 3.15Å; L218-G221 WeakPolarHBondContact O-CA 3.44Å; L218-G221 PolarHBondContact O-N 2.75Å; L218-Y223 HydrophobicContact CB-CD2 4.19Å; L218-Y223 HydrophobicContact CB-CE2 4.04Å; L218-Y223 HydrophobicContact CD1-CD2 4.06Å
219T92.4Very high91.8Very high102 Ų10248.8 Ų48.863%0.62625%0.246SC*.Hα-helixtrans-72.2-44.3-177.8-58.60000111.1H215 E216 G221H215-T219 WeakPolarHBondContact O-CB 3.43Å; H215-T219 PolarHBondContact O-N 2.89Å; H215-T219 PolarHBondContact O-OG1 2.99Å; E216-T219 WeakPolarHBondContact O-CA 3.41Å; E216-T219 WeakPolarHBondContact O-CB 3.3Å; E216-T219 PolarHBondContact O-N 2.89Å; T219-G221 PolarHBondContact O-N 2.89Å
220E92.1Very high92Very high113 Ų11351.3 Ų51.353%0.52826%0.256SS..THydrogen-bonded Turntrans-66.2-20.6167.9-62.2173-128.500112.3K168 E216 K222K168-E220 PolarHBondContact NZ-O 3.42Å; E216-E220 PolarHBondContact O-N 3.14Å; E220-K222 HydrophobicContact CB-CG 4.36Å; E220-K222 IonicContact OE1-NZ 3.12Å; E220-K222 PolarHBondContact OE1-NZ 3.29Å; E220-K222 WeakPolarHBondContact OE2-CE 3.45Å; E220-K222 IonicContact OE2-NZ 3.33Å; E220-K222 PolarHBondContact OE2-NZ 2.77Å
221G89Confident92.2Very high8 Ų848 Ų488%0.08224%0.238CC..THydrogen-bonded Turntrans65.644.4-178.500000112.4K168 N217 L218 T219 Y223K168-G221 VanDerWaalsContact CE-O 3.25Å; K168-G221 WeakPolarHBondContact CE-O 3.47Å; K168-G221 PolarHBondContact NZ-O 3.42Å; N217-G221 PolarHBondContact O-N 2.86Å; N217-G221 VanDerWaalsContact O-N 3.1Å; L218-G221 WeakPolarHBondContact O-CA 3.44Å; L218-G221 PolarHBondContact O-N 2.75Å; T219-G221 PolarHBondContact O-N 2.89Å; G221-Y223 VanDerWaalsContact C-N 3.26Å
222K90Very high92.3Very high106 Ų10648.8 Ų48.846%0.46124%0.243SC..  trans-63.7-31.7171.6-78165.5171.5140.50111.9N217 E220 K224N217-K222 HydrophobicContact CB-CB 4.39Å; N217-K222 HydrophobicContact CB-CD 4.02Å; N217-K222 PolarHBondContact O-N 2.92Å; N217-K222 WeakPolarHBondContact OD1-CD 3.43Å; N217-K222 WeakPolarHBondContact OD1-CE 3.22Å; N217-K222 PolarHBondContact OD1-NZ 2.66Å; E220-K222 HydrophobicContact CB-CG 4.36Å; E220-K222 IonicContact OE1-NZ 3.12Å; E220-K222 PolarHBondContact OE1-NZ 3.29Å; E220-K222 WeakPolarHBondContact OE2-CE 3.45Å; E220-K222 IonicContact OE2-NZ 3.33Å; E220-K222 PolarHBondContact OE2-NZ 2.77Å; K222-K224 PolarHBondContact O-N 2.8Å
223Y90.4Very high92.5Very high8 Ų846 Ų463%0.03122%0.223CC..  trans-65.6129.2176-57.7-58.4000111.9M171 I214 N217 L218 G221 E228 F229 D232M171-Y223 WeakPolarHBondContact CE-O 3.4Å; I214-Y223 HydrophobicContact CG2-CE2 4.44Å; N217-Y223 HydrophobicContact CB-CE2 3.73Å; N217-Y223 WeakPolarHBondContact CB-OH 3.41Å; L218-Y223 HydrophobicContact CB-CD2 4.19Å; L218-Y223 HydrophobicContact CB-CE2 4.04Å; L218-Y223 HydrophobicContact CD1-CD2 4.06Å; G221-Y223 VanDerWaalsContact C-N 3.26Å; Y223-E228 HydrophobicContact CD1-CB 3.94Å; Y223-F229 HydrophobicContact CD1-CB 4.03Å; Y223-F229 HydrophobicContact CD2-CB 4.39Å; Y223-F229 HydrophobicContact CD2-CD2 4.12Å; Y223-F229 HydrophobicContact CE1-CB 4.25Å; Y223-F229 AromaticContact CE2-CD2 3.83Å; Y223-F229 HydrophobicContact CE2-CD2 3.83Å; Y223-F229 HydrophobicContact CG-CB 4.12Å; Y223-D232 HydrophobicContact CE1-CB 4.25Å; Y223-D232 VanDerWaalsContact CE1-OD2 3.25Å; Y223-D232 WeakPolarHBondContact CE1-OD2 3.39Å; Y223-D232 PolarHBondContact OH-OD2 3.17Å
224K86Confident92.6Very high165 Ų16545.5 Ų45.572%0.71722%0.219SC*.  trans-106-21.7171.9-59.3171.2-174.8172.60111.8K222 E228K222-K224 PolarHBondContact O-N 2.8Å; K224-E228 PolarHBondContact N-OE2 3.4Å
225T89.2Confident92.6Very high10 Ų1045.6 Ų45.66%0.06122%0.22CC..SBendtrans-138.7153.5-176.562.20000112.2N165 E227 E228 F229N165-T225 VanDerWaalsContact ND2-CB 3.34Å; N165-T225 WeakPolarHBondContact ND2-CB 3.26Å; N165-T225 WeakPolarHBondContact ND2-CG2 3.22Å; T225-E227 PolarHBondContact O-N 3.41Å; T225-E228 PolarHBondContact N-OE2 3.19Å; T225-E228 PolarHBondContact O-N 3.4Å; T225-E228 VanDerWaalsContact OG1-CG 3.24Å; T225-E228 WeakPolarHBondContact OG1-CG 3.1Å; T225-E228 PolarHBondContact OG1-N 3.27Å; T225-E228 VanDerWaalsContact OG1-N 3.15Å; T225-E228 PolarHBondContact OG1-OE1 2.84Å; T225-E228 VanDerWaalsContact OG1-OE1 3.05Å; T225-F229 PolarHBondContact O-N 3.3Å
226F90.9Very high92.6Very high19 Ų1943.2 Ų43.28%0.08321%0.209CC..Hα-helixtrans-62.7-32.1169.9-68.8-53.9000111.8N165 L166 M171 L175 E228 F229 K230 L265 L268N165-F226 WeakPolarHBondContact OD1-CD2 3.4Å; L166-F226 HydrophobicContact CD1-CZ 4.12Å; M171-F226 HydrophobicContact CG-CD1 4.11Å; M171-F226 HydrophobicContact CG-CE1 3.61Å; M171-F226 HydrophobicContact CG-CZ 4.1Å; M171-F226 HydrophobicContact SD-CD1 4.23Å; M171-F226 HydrophobicContact SD-CE1 4.25Å; L175-F226 HydrophobicContact CD2-CD1 3.89Å; L175-F226 HydrophobicContact CD2-CE1 4.04Å; L175-F226 HydrophobicContact CG-CD1 4.33Å; L175-F226 HydrophobicContact CG-CE1 4.16Å; F226-E228 VanDerWaalsContact C-N 3.35Å; F226-E228 PolarHBondContact O-N 2.64Å; F226-F229 PolarHBondContact O-N 3.46Å; F226-K230 VanDerWaalsContact O-CB 3.31Å; F226-K230 WeakPolarHBondContact O-CB 3.49Å; F226-K230 PolarHBondContact O-N 3.21Å; F226-L265 HydrophobicContact CB-CD2 4.22Å; F226-L265 HydrophobicContact CD1-CD2 3.73Å; F226-L265 HydrophobicContact CE1-CD2 4.42Å; F226-L265 HydrophobicContact CG-CD2 4.18Å; F226-L268 HydrophobicContact CD1-CD2 4.34Å; F226-L268 HydrophobicContact CE1-CD2 3.42Å; F226-L268 VanDerWaalsContact CE1-CD2 3.42Å; F226-L268 HydrophobicContact CE2-CD2 4.29Å; F226-L268 HydrophobicContact CZ-CD2 3.4Å; F226-L268 VanDerWaalsContact CZ-CD2 3.4Å; F226-L268 HydrophobicContact CZ-CG 4.14Å
227E90.6Very high92.7Very high35 Ų3539 Ų3916%0.16419%0.19CC..Hα-helixtrans-62.2-36175.2-74.480.3-175.100113.3K163 T225 A231K163-E227 WeakPolarHBondContact CD-OE1 3.49Å; K163-E227 IonicContact NZ-OE1 2.7Å; K163-E227 PolarHBondContact NZ-OE1 3.13Å; T225-E227 PolarHBondContact O-N 3.41Å; E227-A231 VanDerWaalsContact O-CB 3.26Å; E227-A231 WeakPolarHBondContact O-CB 3.43Å; E227-A231 PolarHBondContact O-N 3.03Å
228E90.9Very high92.8Very high56 Ų5637.7 Ų37.726%0.26218%0.183SC..Hα-helixtrans-66.7-50173.3-75.7153.6-146.800111.8Y223 K224 T225 F226 K230 A231 D232Y223-E228 HydrophobicContact CD1-CB 3.94Å; K224-E228 PolarHBondContact N-OE2 3.4Å; T225-E228 PolarHBondContact N-OE2 3.19Å; T225-E228 PolarHBondContact O-N 3.4Å; T225-E228 VanDerWaalsContact OG1-CG 3.24Å; T225-E228 WeakPolarHBondContact OG1-CG 3.1Å; T225-E228 PolarHBondContact OG1-N 3.27Å; T225-E228 VanDerWaalsContact OG1-N 3.15Å; T225-E228 PolarHBondContact OG1-OE1 2.84Å; T225-E228 VanDerWaalsContact OG1-OE1 3.05Å; F226-E228 VanDerWaalsContact C-N 3.35Å; F226-E228 PolarHBondContact O-N 2.64Å; E228-K230 VanDerWaalsContact C-N 3.28Å; E228-K230 PolarHBondContact O-N 2.86Å; E228-A231 PolarHBondContact O-N 2.84Å; E228-D232 PolarHBondContact O-N 2.89Å
229F93.9Very high92.9Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-57.7-41.6176.2172.8-92.6000111.8L175 I178 I179 M182 I214 Y223 T225 F226 D232 A233 T261 L265L175-F229 HydrophobicContact CD1-CB 4.07Å; L175-F229 HydrophobicContact CD1-CD2 4Å; L175-F229 HydrophobicContact CD1-CG 3.99Å; L175-F229 HydrophobicContact CD2-CB 4.36Å; L175-F229 HydrophobicContact CD2-CD1 3.52Å; L175-F229 HydrophobicContact CD2-CD2 4.09Å; L175-F229 HydrophobicContact CD2-CE1 3.72Å; L175-F229 HydrophobicContact CD2-CE2 4.25Å; L175-F229 HydrophobicContact CD2-CG 3.72Å; L175-F229 HydrophobicContact CD2-CZ 4.08Å; L175-F229 HydrophobicContact CG-CD2 4.5Å; L175-F229 HydrophobicContact CG-CG 4.45Å; I178-F229 HydrophobicContact CB-CE1 4.47Å; I178-F229 HydrophobicContact CB-CZ 4.34Å; I178-F229 HydrophobicContact CG2-CE1 3.95Å; I178-F229 HydrophobicContact CG2-CZ 4.04Å; I179-F229 HydrophobicContact CD1-CE2 4.45Å; M182-F229 HydrophobicContact SD-CE1 4.3Å; M182-F229 HydrophobicContact SD-CZ 3.69Å; I214-F229 HydrophobicContact CG2-CD2 3.91Å; I214-F229 HydrophobicContact CG2-CE2 3.52Å; I214-F229 HydrophobicContact CG2-CZ 4.4Å; Y223-F229 HydrophobicContact CD1-CB 4.03Å; Y223-F229 HydrophobicContact CD2-CB 4.39Å; Y223-F229 HydrophobicContact CD2-CD2 4.12Å; Y223-F229 HydrophobicContact CE1-CB 4.25Å; Y223-F229 AromaticContact CE2-CD2 3.83Å; Y223-F229 HydrophobicContact CE2-CD2 3.83Å; Y223-F229 HydrophobicContact CG-CB 4.12Å; T225-F229 PolarHBondContact O-N 3.3Å; F226-F229 PolarHBondContact O-N 3.46Å; F229-D232 PolarHBondContact O-N 3.01Å; F229-A233 PolarHBondContact O-N 3.48Å; F229-T261 HydrophobicContact CE1-CG2 3.72Å; F229-T261 HydrophobicContact CZ-CG2 4.42Å; F229-L265 HydrophobicContact CD1-CD1 4.23Å; F229-L265 HydrophobicContact CD1-CD2 4.27Å
230K94.4Very high93Very high76 Ų7633.5 Ų33.533%0.3316%0.157SC..Hα-helixtrans-63.1-41173.9179171.3169.8159.20112.1F226 E228 D232 A233 Q234 F258 C262 L265F226-K230 VanDerWaalsContact O-CB 3.31Å; F226-K230 WeakPolarHBondContact O-CB 3.49Å; F226-K230 PolarHBondContact O-N 3.21Å; E228-K230 VanDerWaalsContact C-N 3.28Å; E228-K230 PolarHBondContact O-N 2.86Å; K230-D232 VanDerWaalsContact C-N 3.28Å; K230-D232 PolarHBondContact O-N 3.07Å; K230-A233 PolarHBondContact O-N 2.84Å; K230-Q234 PolarHBondContact O-N 3.06Å; K230-F258 HydrophobicContact CG-CE2 3.84Å; K230-F258 HydrophobicContact CG-CZ 4.18Å; K230-F258 WeakPolarHBondContact O-CE2 3.47Å; K230-C262 WeakPolarHBondContact CE-SG 3.49Å; K230-C262 PolarHBondContact NZ-SG 3.38Å; K230-C262 VanDerWaalsContact NZ-SG 3.4Å; K230-L265 HydrophobicContact CB-CD1 3.84Å; K230-L265 HydrophobicContact CD-CD1 4.34Å; K230-L265 HydrophobicContact CG-CD1 4.34Å
231A94.1Very high93.1Very high2 Ų228.2 Ų28.22%0.01713%0.132CC..Hα-helixtrans-71.9-23.1-178.600000113.6R133 V157 E227 E228 M235R133-A231 PolarHBondContact NH2-O 3.28Å; V157-A231 HydrophobicContact CB-CB 4.36Å; V157-A231 HydrophobicContact CG1-CB 3.41Å; V157-A231 VanDerWaalsContact CG1-CB 3.41Å; V157-A231 HydrophobicContact CG2-CB 3.99Å; E227-A231 VanDerWaalsContact O-CB 3.26Å; E227-A231 WeakPolarHBondContact O-CB 3.43Å; E227-A231 PolarHBondContact O-N 3.03Å; E228-A231 PolarHBondContact O-N 2.84Å; A231-M235 PolarHBondContact O-N 2.77Å
232D95.3Very high93.4Very high31 Ų3127.8 Ų27.817%0.16613%0.128CC..Hα-helixtrans-75.1-44.7168-87.719000111.1L209 I214 Y223 E228 F229 K230 Q234 M235L209-D232 HydrophobicContact CD2-CB 3.63Å; L209-D232 WeakPolarHBondContact CD2-O 3.31Å; I214-D232 HydrophobicContact CD1-CB 4.07Å; I214-D232 HydrophobicContact CG1-CB 4.08Å; Y223-D232 HydrophobicContact CE1-CB 4.25Å; Y223-D232 VanDerWaalsContact CE1-OD2 3.25Å; Y223-D232 WeakPolarHBondContact CE1-OD2 3.39Å; Y223-D232 PolarHBondContact OH-OD2 3.17Å; E228-D232 PolarHBondContact O-N 2.89Å; F229-D232 PolarHBondContact O-N 3.01Å; K230-D232 VanDerWaalsContact C-N 3.28Å; K230-D232 PolarHBondContact O-N 3.07Å; D232-Q234 PolarHBondContact O-N 2.93Å; D232-M235 WeakPolarHBondContact O-CA 3.4Å; D232-M235 WeakPolarHBondContact O-CB 3.31Å; D232-M235 PolarHBondContact O-N 3.15Å
233A96.1Very high93.5Very high3 Ų323.5 Ų23.53%0.02511%0.111CC..Hα-helixtrans-59.1-33.9171.100000112.5M182 F229 K230 M235 I236 F258 T261M182-A233 HydrophobicContact CE-CB 3.93Å; F229-A233 PolarHBondContact O-N 3.48Å; K230-A233 PolarHBondContact O-N 2.84Å; A233-M235 VanDerWaalsContact C-N 3.32Å; A233-I236 PolarHBondContact O-N 3.28Å; A233-F258 HydrophobicContact CB-CD2 3.98Å; A233-F258 HydrophobicContact CB-CE2 4.44Å; A233-T261 HydrophobicContact CB-CG2 3.93Å
234Q96.2Very high93.5Very high38 Ų3824.4 Ų24.418%0.17811%0.114CC..Hα-helixtrans-67.9-28.7172.6-166.51762.200112.8F117 K230 D232 I236 V237 H238 F258F117-Q234 PolarHBondContact O-NE2 2.67Å; K230-Q234 PolarHBondContact O-N 3.06Å; D232-Q234 PolarHBondContact O-N 2.93Å; Q234-I236 VanDerWaalsContact C-N 3.27Å; Q234-I236 PolarHBondContact O-N 3.26Å; Q234-V237 WeakPolarHBondContact O-CB 3.4Å; Q234-V237 PolarHBondContact O-N 3.44Å; Q234-H238 PolarHBondContact O-N 3.34Å; Q234-F258 HydrophobicContact CB-CD2 4.18Å; Q234-F258 HydrophobicContact CB-CE2 3.62Å; Q234-F258 HydrophobicContact CB-CZ 3.86Å; Q234-F258 HydrophobicContact CG-CE1 4.41Å; Q234-F258 HydrophobicContact CG-CE2 4.26Å; Q234-F258 HydrophobicContact CG-CZ 4.02Å
235M95.9Very high93.8Very high1 Ų117.3 Ų17.31%0.0059%0.087CC..Hα-helixtrans-60.6-38.4176.2-162.863.256.900111.6F117 F132 L209 A231 D232 A233 V237 H238 N239F117-M235 HydrophobicContact CE1-CE 3.48Å; F117-M235 VanDerWaalsContact CE1-CE 3.48Å; F117-M235 HydrophobicContact CE1-SD 3.68Å; F117-M235 HydrophobicContact CZ-CE 3.6Å; F117-M235 HydrophobicContact CZ-SD 3.58Å; F117-M235 VanDerWaalsContact CZ-SD 3.58Å; F132-M235 HydrophobicContact CE2-CE 3.65Å; F132-M235 HydrophobicContact CE2-SD 4.19Å; F132-M235 HydrophobicContact CZ-CE 3.41Å; F132-M235 VanDerWaalsContact CZ-CE 3.41Å; F132-M235 HydrophobicContact CZ-SD 4.33Å; L209-M235 HydrophobicContact CB-CB 4.37Å; L209-M235 HydrophobicContact CB-CG 3.98Å; L209-M235 HydrophobicContact CD2-CB 3.79Å; L209-M235 HydrophobicContact CD2-CG 4.2Å; A231-M235 PolarHBondContact O-N 2.77Å; D232-M235 WeakPolarHBondContact O-CA 3.4Å; D232-M235 WeakPolarHBondContact O-CB 3.31Å; D232-M235 PolarHBondContact O-N 3.15Å; A233-M235 VanDerWaalsContact C-N 3.32Å; M235-V237 VanDerWaalsContact C-N 3.31Å; M235-V237 PolarHBondContact O-N 3.32Å; M235-H238 WeakPolarHBondContact O-CB 3.45Å; M235-H238 PolarHBondContact O-N 2.88Å; M235-H238 VanDerWaalsContact O-N 3.16Å; M235-N239 WeakPolarHBondContact O-CB 3.33Å; M235-N239 PolarHBondContact O-N 2.91Å
236I95.1Very high94Very high9 Ų918.2 Ų18.25%0.0469%0.093CC..Hα-helixtrans-60.6-43.3177.3-60.9177.8000110.3L189 V211 I214 A233 Q234 T240L189-I236 HydrophobicContact CD2-CG2 3.72Å; V211-I236 HydrophobicContact CG2-CD1 3.58Å; I214-I236 HydrophobicContact CD1-CD1 3.64Å; I214-I236 HydrophobicContact CD1-CG1 4.3Å; A233-I236 PolarHBondContact O-N 3.28Å; Q234-I236 VanDerWaalsContact C-N 3.27Å; Q234-I236 PolarHBondContact O-N 3.26Å; I236-T240 WeakPolarHBondContact O-CB 3.39Å; I236-T240 PolarHBondContact O-N 3.41Å; I236-T240 PolarHBondContact O-OG1 3.27Å
237V96.1Very high94.2Very high6 Ų625.8 Ų25.84%0.03613%0.128CC..Hα-helixtrans-61.8-46174.7-168.90000110.9Q234 M235 T240 A241 A254 R255 F258Q234-V237 WeakPolarHBondContact O-CB 3.4Å; Q234-V237 PolarHBondContact O-N 3.44Å; M235-V237 VanDerWaalsContact C-N 3.31Å; M235-V237 PolarHBondContact O-N 3.32Å; V237-T240 PolarHBondContact O-N 3.28Å; V237-A241 VanDerWaalsContact O-CB 3.28Å; V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 2.9Å; V237-A254 HydrophobicContact CG2-CB 4.37Å; V237-A254 WeakPolarHBondContact CG2-O 3.41Å; V237-R255 HydrophobicContact CG1-CG 3.76Å; V237-F258 HydrophobicContact CG2-CB 3.43Å; V237-F258 VanDerWaalsContact CG2-CB 3.43Å; V237-F258 HydrophobicContact CG2-CD1 4.33Å; V237-F258 HydrophobicContact CG2-CG 3.89Å
238H97.2Very high94.2Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-60.7-53.2-178.6-173.689.9000112.2D113 Y115 C116 F117 H120 Q234 M235 T240 A241 I242D113-H238 IonicContact OD1-NE2 3.52Å; D113-H238 IonicContact OD2-NE2 2.66Å; Y115-H238 PolarHBondContact O-CE1 3.05Å; C116-H238 PolarHBondContact O-CE1 3.15Å; F117-H238 AromaticContact CD1-ND1 3.94Å; F117-H238 AromaticContact CD2-CE1 3.72Å; F117-H238 HydrophobicContact CE1-CB 4.18Å; F117-H238 AromaticContact CE1-CG 3.91Å; F117-H238 AromaticContact CE2-CE1 3.74Å; F117-H238 AromaticContact CE2-NE2 3.74Å; F117-H238 AromaticContact CG-ND1 3.93Å; F117-H238 AromaticContact CZ-CD2 3.85Å; F117-H238 AromaticContact CZ-NE2 3.91Å; H120-H238 WeakPolarHBondContact ND1-CA 3.32Å; H120-H238 AromaticContact ND1-CG 3.74Å; H120-H238 AromaticContact ND1-ND1 3.17Å; H120-H238 PolarHBondContact ND1-ND1 3.02Å; H120-H238 VanDerWaalsContact ND1-ND1 3.17Å; Q234-H238 PolarHBondContact O-N 3.34Å; M235-H238 WeakPolarHBondContact O-CB 3.45Å; M235-H238 PolarHBondContact O-N 2.88Å; M235-H238 VanDerWaalsContact O-N 3.16Å; H238-T240 VanDerWaalsContact C-N 3.33Å; H238-T240 PolarHBondContact O-N 2.88Å; H238-A241 PolarHBondContact O-N 3.4Å; H238-I242 VanDerWaalsContact CD2-CD1 3.49Å; H238-I242 WeakPolarHBondContact CD2-CD1 3.48Å; H238-I242 WeakPolarHBondContact NE2-CD1 3.38Å; H238-I242 WeakPolarHBondContact O-CG1 3.08Å; H238-I242 PolarHBondContact O-N 3.15Å; H238-I242 VanDerWaalsContact O-N 3.07Å
239N94.9Very high94.3Very high6 Ų627.3 Ų27.33%0.03214%0.141CC..Hα-helixtrans-61.6-41.3178.3-69-11000111.7I205 T207 M235 I242 L243I205-N239 HydrophobicContact CD1-CB 3.92Å; T207-N239 PolarHBondContact O-ND2 2.88Å; M235-N239 WeakPolarHBondContact O-CB 3.33Å; M235-N239 PolarHBondContact O-N 2.91Å; N239-I242 PolarHBondContact O-N 3.37Å; N239-L243 VanDerWaalsContact O-CG 3.31Å; N239-L243 WeakPolarHBondContact O-CG 3.5Å; N239-L243 PolarHBondContact O-N 3.45Å
240T93.9Very high94.2Very high11 Ų1128.9 Ų28.97%0.06715%0.148CC..Hα-helixtrans-64.3-43.8176.3-570000111.4L189 I236 V237 H238 I242 L243 Y244 Q250 A254L189-T240 HydrophobicContact CD1-CG2 3.99Å; I236-T240 WeakPolarHBondContact O-CB 3.39Å; I236-T240 PolarHBondContact O-N 3.41Å; I236-T240 PolarHBondContact O-OG1 3.27Å; V237-T240 PolarHBondContact O-N 3.28Å; H238-T240 VanDerWaalsContact C-N 3.33Å; H238-T240 PolarHBondContact O-N 2.88Å; T240-I242 VanDerWaalsContact C-N 3.32Å; T240-I242 PolarHBondContact O-N 3.37Å; T240-L243 PolarHBondContact O-N 3.02Å; T240-Y244 HydrophobicContact CG2-CD2 3.66Å; T240-Y244 HydrophobicContact CG2-CE2 4.16Å; T240-Y244 WeakPolarHBondContact O-CB 3.45Å; T240-Y244 VanDerWaalsContact O-CD2 3.32Å; T240-Y244 WeakPolarHBondContact O-CD2 3.38Å; T240-Y244 PolarHBondContact O-N 2.79Å; T240-Q250 VanDerWaalsContact CG2-C 3.46Å; T240-Q250 HydrophobicContact CG2-CB 3.73Å; T240-Q250 WeakPolarHBondContact CG2-O 3.48Å; T240-A254 HydrophobicContact CG2-CB 4.05Å
241A95.3Very high94.1Very high2 Ų225.2 Ų25.22%0.01713%0.132CC..Hα-helixtrans-63.3-36.417900000112.6H120 V237 H238 G245 V246 A251H120-A241 HydrophobicContact CB-CB 3.55Å; H120-A241 VanDerWaalsContact CD2-CB 3.43Å; H120-A241 WeakPolarHBondContact CD2-CB 3.5Å; H120-A241 VanDerWaalsContact CG-CB 3.41Å; V237-A241 VanDerWaalsContact O-CB 3.28Å; V237-A241 WeakPolarHBondContact O-CB 3.33Å; V237-A241 PolarHBondContact O-N 2.9Å; H238-A241 PolarHBondContact O-N 3.4Å; A241-G245 CarbonylContact O-C 3.55Å; A241-G245 WeakPolarHBondContact O-CA 3.33Å; A241-G245 PolarHBondContact O-N 2.97Å; A241-V246 HydrophobicContact CB-CG1 4.2Å; A241-V246 PolarHBondContact O-N 2.94Å; A241-A251 HydrophobicContact CB-CB 4.45Å
242I94.8Very high94.1Very high0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-66.3-48.9173.9-67.7164.3000111.3P17 Q21 Y115 L204 I205 H238 N239 T240P17-I242 HydrophobicContact CB-CG2 3.75Å; P17-I242 HydrophobicContact CG-CG2 4.17Å; Q21-I242 PolarHBondContact NE2-O 3.28Å; Y115-I242 HydrophobicContact CD2-CD1 3.43Å; Y115-I242 VanDerWaalsContact CD2-CD1 3.43Å; Y115-I242 HydrophobicContact CD2-CG1 4.02Å; Y115-I242 HydrophobicContact CE2-CD1 4.15Å; Y115-I242 HydrophobicContact CE2-CG2 4.25Å; Y115-I242 HydrophobicContact CG-CD1 3.87Å; Y115-I242 HydrophobicContact CG-CG1 4.09Å; L204-I242 HydrophobicContact CB-CG2 4.08Å; I205-I242 HydrophobicContact CD1-CB 4.04Å; I205-I242 HydrophobicContact CD1-CD1 4.18Å; I205-I242 HydrophobicContact CD1-CG2 3.92Å; H238-I242 VanDerWaalsContact CD2-CD1 3.49Å; H238-I242 WeakPolarHBondContact CD2-CD1 3.48Å; H238-I242 WeakPolarHBondContact NE2-CD1 3.38Å; H238-I242 WeakPolarHBondContact O-CG1 3.08Å; H238-I242 PolarHBondContact O-N 3.15Å; H238-I242 VanDerWaalsContact O-N 3.07Å; N239-I242 PolarHBondContact O-N 3.37Å; T240-I242 VanDerWaalsContact C-N 3.32Å; T240-I242 PolarHBondContact O-N 3.37Å
243L91.7Very high94Very high16 Ų1629.9 Ų29.98%0.08415%0.154CC..Hα-helixtrans-70.7-41.7-175.6-68.3166.3000112.6K18 Q21 Y201 I205 N239 T240K18-L243 PolarHBondContact NZ-O 3.24Å; Q21-L243 PolarHBondContact NE2-O 3.37Å; Q21-L243 PolarHBondContact OE1-O 3.09Å; Y201-L243 HydrophobicContact CD2-CD1 3.93Å; Y201-L243 HydrophobicContact CD2-CD2 4.03Å; Y201-L243 HydrophobicContact CE2-CD1 3.68Å; I205-L243 HydrophobicContact CD1-CD1 4.33Å; I205-L243 HydrophobicContact CD1-CD2 4.39Å; I205-L243 HydrophobicContact CD1-CG 4.05Å; I205-L243 HydrophobicContact CG1-CD1 4.29Å; I205-L243 HydrophobicContact CG1-CD2 4.18Å; I205-L243 HydrophobicContact CG1-CG 4.24Å; N239-L243 VanDerWaalsContact O-CG 3.31Å; N239-L243 WeakPolarHBondContact O-CG 3.5Å; N239-L243 PolarHBondContact O-N 3.45Å; T240-L243 PolarHBondContact O-N 3.02Å
244Y90.7Very high94Very high27 Ų2729.8 Ų29.811%0.10615%0.153CC..Hα-helixtrans-101.2-20.4-172.5-63.9-88.3000113.8K18 K192 G193 K194 T240 S248 Q250K18-Y244 VanDerWaalsContact CE-O 3.32Å; K18-Y244 WeakPolarHBondContact CE-O 3.46Å; K18-Y244 PolarHBondContact NZ-O 2.84Å; K192-Y244 VanDerWaalsContact O-CE1 3.31Å; K192-Y244 WeakPolarHBondContact O-CE1 3.38Å; K192-Y244 PolarHBondContact O-OH 2.84Å; G193-Y244 WeakPolarHBondContact CA-OH 3.43Å; K194-Y244 HydrophobicContact CG-CE1 4.06Å; K194-Y244 PolarHBondContact N-OH 3.2Å; T240-Y244 HydrophobicContact CG2-CD2 3.66Å; T240-Y244 HydrophobicContact CG2-CE2 4.16Å; T240-Y244 WeakPolarHBondContact O-CB 3.45Å; T240-Y244 VanDerWaalsContact O-CD2 3.32Å; T240-Y244 WeakPolarHBondContact O-CD2 3.38Å; T240-Y244 PolarHBondContact O-N 2.79Å; Y244-S248 WeakPolarHBondContact CB-OG 3.37Å; Y244-Q250 HydrophobicContact CD1-CB 3.94Å; Y244-Q250 VanDerWaalsContact CD1-CD 3.4Å; Y244-Q250 HydrophobicContact CD1-CG 3.6Å; Y244-Q250 HydrophobicContact CD2-CB 3.83Å; Y244-Q250 HydrophobicContact CD2-CG 4.24Å; Y244-Q250 HydrophobicContact CE1-CB 4.3Å; Y244-Q250 HydrophobicContact CE1-CG 3.64Å; Y244-Q250 HydrophobicContact CE2-CB 4.22Å; Y244-Q250 HydrophobicContact CE2-CG 4.3Å; Y244-Q250 HydrophobicContact CG-CB 3.65Å; Y244-Q250 HydrophobicContact CG-CG 3.88Å
245G92.7Very high93.9Very high15 Ų1531.6 Ų31.616%0.15516%0.158CC..  trans96.8142.2-170.200000110.8A241 H247 S248 A251A241-G245 CarbonylContact O-C 3.55Å; A241-G245 WeakPolarHBondContact O-CA 3.33Å; A241-G245 PolarHBondContact O-N 2.97Å; G245-H247 PolarHBondContact O-N 3.48Å; G245-H247 VanDerWaalsContact O-N 3.1Å; G245-S248 VanDerWaalsContact O-CB 3.3Å; G245-S248 WeakPolarHBondContact O-CB 3.36Å; G245-S248 PolarHBondContact O-N 3.36Å; G245-S248 PolarHBondContact O-OG 3.23Å; G245-A251 WeakPolarHBondContact O-CB 3.41Å
246V94.1Very high93.9Very high30 Ų3036 Ų3618%0.18218%0.181CC..THydrogen-bonded Turntrans-55.4-30.8-174.3-690000114.5C119 H120 L121 A241 R255C119-V246 WeakPolarHBondContact O-CG1 3.33Å; H120-V246 HydrophobicContact CB-CG1 3.91Å; L121-V246 HydrophobicContact CD2-CG1 4.28Å; A241-V246 HydrophobicContact CB-CG1 4.2Å; A241-V246 PolarHBondContact O-N 2.94Å; V246-R255 PolarHBondContact O-NH1 2.86Å; V246-R255 PolarHBondContact O-NH2 3.44Å
247H93.4Very high93.9Very high178 Ų17836 Ų3682%0.82418%0.181SC*.THydrogen-bonded Turntrans-10015-178.6-54.9-51.5000114G245G245-H247 PolarHBondContact O-N 3.48Å; G245-H247 VanDerWaalsContact O-N 3.1Å
248S92.2Very high93.9Very high21 Ų2137.6 Ų37.615%0.14719%0.188CC..SBendtrans-78.9154.6177.561.90000113.1Y244 G245 Q250 A251 E252Y244-S248 WeakPolarHBondContact CB-OG 3.37Å; G245-S248 VanDerWaalsContact O-CB 3.3Å; G245-S248 WeakPolarHBondContact O-CB 3.36Å; G245-S248 PolarHBondContact O-N 3.36Å; G245-S248 PolarHBondContact O-OG 3.23Å; S248-Q250 PolarHBondContact O-N 2.86Å; S248-A251 PolarHBondContact O-N 2.95Å; S248-A251 VanDerWaalsContact O-N 3.15Å; S248-A251 WeakPolarHBondContact OG-CB 3.3Å; S248-A251 PolarHBondContact OG-N 3.33Å; S248-A251 VanDerWaalsContact OG-N 3.14Å; S248-E252 PolarHBondContact O-N 2.83Å
249D92.1Very high93.9Very high101 Ų10141 Ų4154%0.5421%0.212SC..Hα-helixtrans-50.1-42.6169.2-66.93000111.7K192 E252 I253K192-D249 IonicContact NZ-OD2 3.4Å; K192-D249 PolarHBondContact NZ-OD2 3.33Å; D249-E252 PolarHBondContact O-N 3.06Å; D249-I253 VanDerWaalsContact O-CG1 3.29Å; D249-I253 WeakPolarHBondContact O-CG1 3.5Å; D249-I253 PolarHBondContact O-N 2.84Å
250Q91.6Very high93.9Very high33 Ų3343 Ų4315%0.15422%0.222CC..Hα-helixtrans-65.2-43.7-178.3-66.184.9-11.800111L189 K192 T240 Y244 S248 E252 I253 A254L189-Q250 HydrophobicContact CD1-CB 4.26Å; L189-Q250 WeakPolarHBondContact CD1-O 3.4Å; K192-Q250 HydrophobicContact CB-CG 4Å; K192-Q250 HydrophobicContact CD-CG 4.35Å; T240-Q250 VanDerWaalsContact CG2-C 3.46Å; T240-Q250 HydrophobicContact CG2-CB 3.73Å; T240-Q250 WeakPolarHBondContact CG2-O 3.48Å; Y244-Q250 HydrophobicContact CD1-CB 3.94Å; Y244-Q250 VanDerWaalsContact CD1-CD 3.4Å; Y244-Q250 HydrophobicContact CD1-CG 3.6Å; Y244-Q250 HydrophobicContact CD2-CB 3.83Å; Y244-Q250 HydrophobicContact CD2-CG 4.24Å; Y244-Q250 HydrophobicContact CE1-CB 4.3Å; Y244-Q250 HydrophobicContact CE1-CG 3.64Å; Y244-Q250 HydrophobicContact CE2-CB 4.22Å; Y244-Q250 HydrophobicContact CE2-CG 4.3Å; Y244-Q250 HydrophobicContact CG-CB 3.65Å; Y244-Q250 HydrophobicContact CG-CG 3.88Å; S248-Q250 PolarHBondContact O-N 2.86Å; Q250-E252 VanDerWaalsContact C-N 3.26Å; Q250-E252 PolarHBondContact O-N 2.81Å; Q250-I253 PolarHBondContact O-N 3.34Å; Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.16Å
251A93.5Very high94.1Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-64.4-32.5175.100000111.8A241 G245 S248 R255A241-A251 HydrophobicContact CB-CB 4.45Å; G245-A251 WeakPolarHBondContact O-CB 3.41Å; S248-A251 PolarHBondContact O-N 2.95Å; S248-A251 VanDerWaalsContact O-N 3.15Å; S248-A251 WeakPolarHBondContact OG-CB 3.3Å; S248-A251 PolarHBondContact OG-N 3.33Å; S248-A251 VanDerWaalsContact OG-N 3.14Å; A251-R255 WeakPolarHBondContact O-CB 3.46Å; A251-R255 WeakPolarHBondContact O-CG 3.14Å; A251-R255 PolarHBondContact O-N 3.44Å
252E94.1Very high94.1Very high88 Ų8843.2 Ų43.241%0.41122%0.224SC..Hα-helixtrans-69.4-45.7173.2-168.158.3-151.200112.3S248 D249 Q250 A254 R255 L256S248-E252 PolarHBondContact O-N 2.83Å; D249-E252 PolarHBondContact O-N 3.06Å; Q250-E252 VanDerWaalsContact C-N 3.26Å; Q250-E252 PolarHBondContact O-N 2.81Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.34Å; E252-R255 WeakPolarHBondContact O-CB 3.4Å; E252-R255 PolarHBondContact O-N 3.17Å; E252-R255 VanDerWaalsContact O-N 3.15Å; E252-R255 IonicContact OE2-CZ 3.85Å; E252-R255 IonicContact OE2-NE 2.86Å; E252-R255 PolarHBondContact OE2-NE 3.37Å; E252-R255 IonicContact OE2-NH2 3.21Å; E252-R255 PolarHBondContact OE2-NH2 3.12Å; E252-L256 WeakPolarHBondContact O-CG 3.06Å; E252-L256 PolarHBondContact O-N 3.38Å
253I92.8Very high94Very high43 Ų4347.5 Ų47.522%0.22124%0.244CC..Hα-helixtrans-58.2-42.3174-67.9162.4000110.7L189 D249 Q250 L256 L257L189-I253 HydrophobicContact CB-CG2 4.13Å; L189-I253 HydrophobicContact CD1-CB 4.47Å; L189-I253 HydrophobicContact CD1-CG2 4.24Å; D249-I253 VanDerWaalsContact O-CG1 3.29Å; D249-I253 WeakPolarHBondContact O-CG1 3.5Å; D249-I253 PolarHBondContact O-N 2.84Å; Q250-I253 PolarHBondContact O-N 3.34Å; I253-L256 PolarHBondContact O-N 2.86Å; I253-L257 WeakPolarHBondContact O-CB 3.44Å; I253-L257 PolarHBondContact O-N 3.03Å
254A94.9Very high94.2Very high1 Ų147.5 Ų47.51%0.00824%0.243CC..Hα-helixtrans-66.2-40.6175.800000112.3L189 V237 T240 Q250 E252 L257 F258L189-A254 HydrophobicContact CD1-CB 4.23Å; L189-A254 HydrophobicContact CD2-CB 4.42Å; V237-A254 HydrophobicContact CG2-CB 4.37Å; V237-A254 WeakPolarHBondContact CG2-O 3.41Å; T240-A254 HydrophobicContact CG2-CB 4.05Å; Q250-A254 WeakPolarHBondContact O-CB 3.4Å; Q250-A254 PolarHBondContact O-N 3.16Å; E252-A254 VanDerWaalsContact C-N 3.29Å; E252-A254 PolarHBondContact O-N 3.34Å; A254-L257 PolarHBondContact O-N 3.16Å; A254-F258 WeakPolarHBondContact O-CB 3.4Å; A254-F258 PolarHBondContact O-N 3.4Å
255R95.8Very high94.4Very high76 Ų7646.8 Ų46.829%0.28724%0.241SC..Hα-helixtrans-60.9-42.3173-81.6-175.2-68-89.74.4112.2V237 V246 A251 E252 F258 S259V237-R255 HydrophobicContact CG1-CG 3.76Å; V246-R255 PolarHBondContact O-NH1 2.86Å; V246-R255 PolarHBondContact O-NH2 3.44Å; A251-R255 WeakPolarHBondContact O-CB 3.46Å; A251-R255 WeakPolarHBondContact O-CG 3.14Å; A251-R255 PolarHBondContact O-N 3.44Å; E252-R255 WeakPolarHBondContact O-CB 3.4Å; E252-R255 PolarHBondContact O-N 3.17Å; E252-R255 VanDerWaalsContact O-N 3.15Å; E252-R255 IonicContact OE2-CZ 3.85Å; E252-R255 IonicContact OE2-NE 2.86Å; E252-R255 PolarHBondContact OE2-NE 3.37Å; E252-R255 IonicContact OE2-NH2 3.21Å; E252-R255 PolarHBondContact OE2-NH2 3.12Å; R255-F258 PolarHBondContact O-N 3.36Å; R255-S259 VanDerWaalsContact O-CB 3.31Å; R255-S259 WeakPolarHBondContact O-CB 3.41Å; R255-S259 PolarHBondContact O-N 2.73Å
256L95Very high94.4Very high93 Ų9350.5 Ų50.549%0.48726%0.258SS..Hα-helixtrans-61.7-51175.1-70.3170.4000110.8E252 I253 F258 S259 D260E252-L256 WeakPolarHBondContact O-CG 3.06Å; E252-L256 PolarHBondContact O-N 3.38Å; I253-L256 PolarHBondContact O-N 2.86Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.4Å; L256-S259 WeakPolarHBondContact O-CB 3.4Å; L256-S259 PolarHBondContact O-N 3.2Å; L256-D260 WeakPolarHBondContact O-CB 3.38Å; L256-D260 VanDerWaalsContact O-CG 3.22Å; L256-D260 PolarHBondContact O-N 3.42Å; L256-D260 VanDerWaalsContact O-OD2 3.12Å
257L95.4Very high94.4Very high9 Ų950.2 Ų50.25%0.04725%0.254CS..Hα-helixtrans-53.3-42.6175.2178.167.2000112.5M182 R185 A186 V211 I253 A254 T261M182-L257 HydrophobicContact CB-CD1 4.09Å; M182-L257 HydrophobicContact CG-CD1 4.23Å; R185-L257 HydrophobicContact CB-CD1 3.85Å; A186-L257 HydrophobicContact CB-CD2 4.18Å; V211-L257 HydrophobicContact CG2-CD2 4.4Å; I253-L257 WeakPolarHBondContact O-CB 3.44Å; I253-L257 PolarHBondContact O-N 3.03Å; A254-L257 PolarHBondContact O-N 3.16Å; L257-T261 WeakPolarHBondContact O-CB 3.36Å; L257-T261 PolarHBondContact O-N 2.69Å; L257-T261 PolarHBondContact O-OG1 2.84Å
258F96.7Very high94.3Very high39 Ų3941.8 Ų41.817%0.17122%0.215CC..Hα-helixtrans-71-39176.8176-112.6000113.1K230 A233 Q234 V237 A254 R255 L256 T261 C262K230-F258 HydrophobicContact CG-CE2 3.84Å; K230-F258 HydrophobicContact CG-CZ 4.18Å; K230-F258 WeakPolarHBondContact O-CE2 3.47Å; A233-F258 HydrophobicContact CB-CD2 3.98Å; A233-F258 HydrophobicContact CB-CE2 4.44Å; Q234-F258 HydrophobicContact CB-CD2 4.18Å; Q234-F258 HydrophobicContact CB-CE2 3.62Å; Q234-F258 HydrophobicContact CB-CZ 3.86Å; Q234-F258 HydrophobicContact CG-CE1 4.41Å; Q234-F258 HydrophobicContact CG-CE2 4.26Å; Q234-F258 HydrophobicContact CG-CZ 4.02Å; V237-F258 HydrophobicContact CG2-CB 3.43Å; V237-F258 VanDerWaalsContact CG2-CB 3.43Å; V237-F258 HydrophobicContact CG2-CD1 4.33Å; V237-F258 HydrophobicContact CG2-CG 3.89Å; A254-F258 WeakPolarHBondContact O-CB 3.4Å; A254-F258 PolarHBondContact O-N 3.4Å; R255-F258 PolarHBondContact O-N 3.36Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.4Å; F258-T261 WeakPolarHBondContact O-CB 3.46Å; F258-T261 PolarHBondContact O-N 3.4Å; F258-C262 PolarHBondContact O-N 2.67Å; F258-C262 PolarHBondContact O-SG 2.86Å
259S96.8Very high94.2Very high73 Ų7345.9 Ų45.951%0.5124%0.239SC..Hα-helixtrans-61.4-45.7174.5-172.50000111.1R255 L256 T261 C262 H263R255-S259 VanDerWaalsContact O-CB 3.31Å; R255-S259 WeakPolarHBondContact O-CB 3.41Å; R255-S259 PolarHBondContact O-N 2.73Å; L256-S259 WeakPolarHBondContact O-CB 3.4Å; L256-S259 PolarHBondContact O-N 3.2Å; S259-T261 PolarHBondContact O-N 2.95Å; S259-C262 WeakPolarHBondContact O-CB 3.35Å; S259-C262 PolarHBondContact O-N 2.78Å; S259-H263 PolarHBondContact O-N 2.67Å
260D95.2Very high94.2Very high47 Ų4743.7 Ų43.725%0.25123%0.227SC..Hα-helixtrans-59.6-45.2173.5-67.2-47.5000111.6R185 L256 C262 H263 E264R185-D260 WeakPolarHBondContact CD-OD2 3.12Å; R185-D260 IonicContact CZ-OD1 3.18Å; R185-D260 IonicContact CZ-OD2 3.92Å; R185-D260 IonicContact NE-OD2 3.87Å; R185-D260 IonicContact NH1-OD1 3.42Å; R185-D260 PolarHBondContact NH1-OD1 3.25Å; R185-D260 IonicContact NH1-OD2 3.92Å; R185-D260 PolarHBondContact NH1-OD2 2.94Å; L256-D260 WeakPolarHBondContact O-CB 3.38Å; L256-D260 VanDerWaalsContact O-CG 3.22Å; L256-D260 PolarHBondContact O-N 3.42Å; L256-D260 VanDerWaalsContact O-OD2 3.12Å; D260-C262 VanDerWaalsContact C-N 3.3Å; D260-C262 PolarHBondContact O-N 2.7Å; D260-H263 WeakPolarHBondContact O-CB 3.46Å; D260-H263 PolarHBondContact O-N 3.28Å; D260-H263 VanDerWaalsContact O-N 3.1Å; D260-E264 PolarHBondContact O-N 2.71Å
261T96.5Very high94.3Very high2 Ų243 Ų431%0.01223%0.226CC..Hα-helixtrans-60.4-41176.3-560000111.2I178 M182 F229 A233 L257 F258 S259 L265I178-T261 HydrophobicContact CG2-CG2 4Å; M182-T261 HydrophobicContact CE-CG2 4.27Å; M182-T261 WeakPolarHBondContact CG-OG1 3.43Å; M182-T261 HydrophobicContact SD-CG2 3.77Å; F229-T261 HydrophobicContact CE1-CG2 3.72Å; F229-T261 HydrophobicContact CZ-CG2 4.42Å; A233-T261 HydrophobicContact CB-CG2 3.93Å; L257-T261 WeakPolarHBondContact O-CB 3.36Å; L257-T261 PolarHBondContact O-N 2.69Å; L257-T261 PolarHBondContact O-OG1 2.84Å; F258-T261 WeakPolarHBondContact O-CB 3.46Å; F258-T261 PolarHBondContact O-N 3.4Å; S259-T261 PolarHBondContact O-N 2.95Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 3.39Å; T261-L265 VanDerWaalsContact O-N 3.15Å
262C95.6Very high94.3Very high16 Ų1647.6 Ų47.611%0.10825%0.246CC..Hα-helixtrans-65.9-37.5173.7-68.50000112.5K230 F258 S259 D260 L265 N266K230-C262 WeakPolarHBondContact CE-SG 3.49Å; K230-C262 PolarHBondContact NZ-SG 3.38Å; K230-C262 VanDerWaalsContact NZ-SG 3.4Å; F258-C262 PolarHBondContact O-N 2.67Å; F258-C262 PolarHBondContact O-SG 2.86Å; S259-C262 WeakPolarHBondContact O-CB 3.35Å; S259-C262 PolarHBondContact O-N 2.78Å; D260-C262 VanDerWaalsContact C-N 3.3Å; D260-C262 PolarHBondContact O-N 2.7Å; C262-L265 PolarHBondContact O-N 2.88Å; C262-N266 WeakPolarHBondContact O-CB 3.37Å; C262-N266 PolarHBondContact O-N 3.08Å; C262-N266 PolarHBondContact O-ND2 3.24Å; C262-N266 PolarHBondContact O-OD1 3.44Å
263H94.3Very high94.3Very high89 Ų8946.2 Ų46.241%0.41224%0.241SC..Hα-helixtrans-62.5-47.1176.4-175.679.1000111.5S259 D260 L265 N266 E267 R330S259-H263 PolarHBondContact O-N 2.67Å; D260-H263 WeakPolarHBondContact O-CB 3.46Å; D260-H263 PolarHBondContact O-N 3.28Å; D260-H263 VanDerWaalsContact O-N 3.1Å; H263-L265 VanDerWaalsContact C-N 3.35Å; H263-L265 PolarHBondContact O-N 3.23Å; H263-N266 WeakPolarHBondContact O-CB 3.49Å; H263-N266 PolarHBondContact O-N 3.4Å; H263-N266 VanDerWaalsContact O-N 3.16Å; H263-E267 PolarHBondContact O-N 2.95Å; H263-R330 PolarHBondContact CE1-NH1 3.4Å
264E95.4Very high94.4Very high17 Ų1744.6 Ų44.68%0.07923%0.234CC..Hα-helixtrans-63.3-38.7177.3-64.6-55.711800112.8I178 R181 D260 N266 E267 L268 F275I178-E264 HydrophobicContact CD1-CB 3.78Å; I178-E264 HydrophobicContact CG1-CB 3.83Å; I178-E264 HydrophobicContact CG2-CB 4.06Å; I178-E264 HydrophobicContact CG2-CG 4.47Å; R181-E264 VanDerWaalsContact CZ-CD 3.44Å; R181-E264 IonicContact CZ-OE1 2.71Å; R181-E264 IonicContact CZ-OE2 2.59Å; R181-E264 IonicContact NH1-OE1 3.19Å; R181-E264 PolarHBondContact NH1-OE1 3.48Å; R181-E264 IonicContact NH1-OE2 3.85Å; R181-E264 PolarHBondContact NH1-OE2 3.09Å; R181-E264 IonicContact NH2-OE1 3.7Å; R181-E264 IonicContact NH2-OE2 2.61Å; R181-E264 PolarHBondContact NH2-OE2 3.33Å; D260-E264 PolarHBondContact O-N 2.71Å; E264-N266 VanDerWaalsContact C-N 3.34Å; E264-E267 PolarHBondContact O-N 3.33Å; E264-L268 WeakPolarHBondContact O-CB 3.46Å; E264-L268 PolarHBondContact O-N 3.13Å; E264-F275 HydrophobicContact CB-CE2 4.1Å; E264-F275 WeakPolarHBondContact O-CE2 3.48Å; E264-F275 WeakPolarHBondContact OE2-CE2 3.21Å
265L94.4Very high94.4Very high11 Ų1144.9 Ų44.96%0.05824%0.235CC..Hα-helixtrans-64.2-38.8174-71.2171000111.8L175 I178 F226 F229 K230 T261 C262 H263 L268 V269L175-L265 HydrophobicContact CD2-CD2 3.9Å; I178-L265 HydrophobicContact CD1-CD2 3.67Å; I178-L265 HydrophobicContact CD1-CG 4.01Å; F226-L265 HydrophobicContact CB-CD2 4.22Å; F226-L265 HydrophobicContact CD1-CD2 3.73Å; F226-L265 HydrophobicContact CE1-CD2 4.42Å; F226-L265 HydrophobicContact CG-CD2 4.18Å; F229-L265 HydrophobicContact CD1-CD1 4.23Å; F229-L265 HydrophobicContact CD1-CD2 4.27Å; K230-L265 HydrophobicContact CB-CD1 3.84Å; K230-L265 HydrophobicContact CD-CD1 4.34Å; K230-L265 HydrophobicContact CG-CD1 4.34Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 3.39Å; T261-L265 VanDerWaalsContact O-N 3.15Å; C262-L265 PolarHBondContact O-N 2.88Å; H263-L265 VanDerWaalsContact C-N 3.35Å; H263-L265 PolarHBondContact O-N 3.23Å; L265-L268 PolarHBondContact O-N 3.4Å; L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 2.78Å
266N92.9Very high94.4Very high93 Ų9343.2 Ų43.250%0.49723%0.229SC..Hα-helixtrans-66.4-42.1175.5-69.4-13.4000111.5C262 H263 E264 L268 V269 L270C262-N266 WeakPolarHBondContact O-CB 3.37Å; C262-N266 PolarHBondContact O-N 3.08Å; C262-N266 PolarHBondContact O-ND2 3.24Å; C262-N266 PolarHBondContact O-OD1 3.44Å; H263-N266 WeakPolarHBondContact O-CB 3.49Å; H263-N266 PolarHBondContact O-N 3.4Å; H263-N266 VanDerWaalsContact O-N 3.16Å; E264-N266 VanDerWaalsContact C-N 3.34Å; N266-L268 VanDerWaalsContact C-N 3.32Å; N266-L268 PolarHBondContact O-N 3.21Å; N266-V269 PolarHBondContact O-N 3.05Å; N266-L270 WeakPolarHBondContact O-CG 3.48Å; N266-L270 PolarHBondContact O-N 3.13Å
267E93.3Very high94.4Very high24 Ų2439 Ų3911%0.11221%0.207CC..Hα-helixtrans-59.3-41.5173.9-75.2-66.676.400112.6H263 E264 L270 C271 F275 R322 R330H263-E267 PolarHBondContact O-N 2.95Å; E264-E267 PolarHBondContact O-N 3.33Å; E267-L270 PolarHBondContact O-N 3.21Å; E267-C271 PolarHBondContact O-N 3.18Å; E267-C271 VanDerWaalsContact O-N 3.12Å; E267-F275 HydrophobicContact CB-CD2 3.77Å; E267-F275 HydrophobicContact CB-CE2 4.42Å; E267-R322 IonicContact OE2-NH1 3.81Å; E267-R330 IonicContact OE1-CZ 3.87Å; E267-R330 IonicContact OE1-NH1 2.75Å; E267-R330 PolarHBondContact OE1-NH1 2.85Å; E267-R330 IonicContact OE1-NH2 2.66Å; E267-R330 PolarHBondContact OE1-NH2 3.49Å; E267-R330 IonicContact OE2-NH1 3.93Å
268L92.8Very high94.4Very high2 Ų239.3 Ų39.31%0.0121%0.21CC..Hα-helixtrans-64.1-40.1176.3174.559.1000112.5Y174 F226 E264 L265 N266 K272 F275Y174-L268 HydrophobicContact CD1-CD1 3.56Å; Y174-L268 HydrophobicContact CD2-CD1 3.78Å; Y174-L268 HydrophobicContact CE1-CD1 3.96Å; Y174-L268 HydrophobicContact CE2-CD1 4.22Å; Y174-L268 HydrophobicContact CG-CD1 3.44Å; Y174-L268 VanDerWaalsContact CG-CD1 3.44Å; Y174-L268 HydrophobicContact CG-CD2 4.17Å; Y174-L268 HydrophobicContact CG-CG 4.46Å; F226-L268 HydrophobicContact CD1-CD2 4.34Å; F226-L268 HydrophobicContact CE1-CD2 3.42Å; F226-L268 VanDerWaalsContact CE1-CD2 3.42Å; F226-L268 HydrophobicContact CE2-CD2 4.29Å; F226-L268 HydrophobicContact CZ-CD2 3.4Å; F226-L268 VanDerWaalsContact CZ-CD2 3.4Å; F226-L268 HydrophobicContact CZ-CG 4.14Å; E264-L268 WeakPolarHBondContact O-CB 3.46Å; E264-L268 PolarHBondContact O-N 3.13Å; L265-L268 PolarHBondContact O-N 3.4Å; N266-L268 VanDerWaalsContact C-N 3.32Å; N266-L268 PolarHBondContact O-N 3.21Å; L268-K272 HydrophobicContact CD1-CB 4.41Å; L268-K272 HydrophobicContact CD1-CG 4.16Å; L268-K272 WeakPolarHBondContact O-CG 3.45Å; L268-K272 PolarHBondContact O-N 2.92Å; L268-F275 HydrophobicContact CB-CB 4.43Å; L268-F275 HydrophobicContact CB-CD1 4.18Å; L268-F275 HydrophobicContact CB-CD2 3.99Å; L268-F275 HydrophobicContact CB-CE1 4.49Å; L268-F275 HydrophobicContact CB-CE2 4.31Å; L268-F275 HydrophobicContact CB-CG 3.91Å; L268-F275 HydrophobicContact CD1-CB 4.33Å; L268-F275 HydrophobicContact CD1-CD1 3.74Å; L268-F275 HydrophobicContact CD1-CE1 4.33Å; L268-F275 HydrophobicContact CD1-CG 4.09Å; L268-F275 HydrophobicContact CG-CD1 4.45Å
269V90.1Very high94.3Very high106 Ų10639.1 Ų39.164%0.64221%0.211SC*.Hα-helixtrans-70.2-37.8177.11700000111.6L265 N266L265-V269 WeakPolarHBondContact O-CG2 3.46Å; L265-V269 PolarHBondContact O-N 2.78Å; N266-V269 PolarHBondContact O-N 3.05Å
270L92.2Very high94.1Very high56 Ų5637.6 Ų37.629%0.29320%0.202SC..Hα-helixtrans-64.5-51.5177.6-76.1168.5000112.4N266 E267 Q313N266-L270 WeakPolarHBondContact O-CG 3.48Å; N266-L270 PolarHBondContact O-N 3.13Å; E267-L270 PolarHBondContact O-N 3.21Å; L270-Q313 HydrophobicContact CD2-CB 4.25Å; L270-Q313 HydrophobicContact CD2-CG 4.21Å
271C93.5Very high94Very high19 Ų1943.6 Ų43.613%0.12822%0.221CC..  trans-156.5106.4173.2-179.80000112.5E267 N273 C274 F275 H294E267-C271 PolarHBondContact O-N 3.18Å; E267-C271 VanDerWaalsContact O-N 3.12Å; C271-N273 PolarHBondContact O-N 2.86Å; C271-C274 HydrophobicContact CB-CB 3.95Å; C271-C274 PolarHBondContact O-N 3.37Å; C271-C274 PolarHBondContact SG-N 3.45Å; C271-C274 VanDerWaalsContact SG-N 3.41Å; C271-F275 WeakPolarHBondContact O-CB 3.43Å; C271-F275 PolarHBondContact O-N 3.19Å; C271-H294 PolarHBondContact SG-NE2 2.93Å
272K92.6Very high93.9Very high95 Ų9544.8 Ų44.841%0.41323%0.229SC..Hα-helixtrans-54.3-35.7178.2-58.8168-174168.40113.7L166 L268 Y276L166-K272 HydrophobicContact CD1-CD 4.15Å; L166-K272 HydrophobicContact CD2-CD 3.93Å; L166-K272 HydrophobicContact CG-CD 4.43Å; L268-K272 HydrophobicContact CD1-CB 4.41Å; L268-K272 HydrophobicContact CD1-CG 4.16Å; L268-K272 WeakPolarHBondContact O-CG 3.45Å; L268-K272 PolarHBondContact O-N 2.92Å; K272-Y276 WeakPolarHBondContact O-CB 3.37Å; K272-Y276 PolarHBondContact O-N 3.15Å
273N93.7Very high93.8Very high59 Ų5951.5 Ų51.532%0.31626%0.259SS..Hα-helixtrans-75.1-46.3179.3-77.113.8000111.3C271 F275 Y276 L277 C290C271-N273 PolarHBondContact O-N 2.86Å; N273-F275 VanDerWaalsContact C-N 3.32Å; N273-F275 PolarHBondContact O-N 2.78Å; N273-Y276 PolarHBondContact O-N 3.22Å; N273-L277 WeakPolarHBondContact O-CB 3.3Å; N273-L277 WeakPolarHBondContact O-CD1 3.41Å; N273-L277 VanDerWaalsContact O-CG 3.26Å; N273-L277 WeakPolarHBondContact O-CG 3.44Å; N273-L277 PolarHBondContact O-N 3.19Å; N273-C290 HydrophobicContact CB-CB 4.32Å; N273-C290 VanDerWaalsContact CB-SG 3.58Å
274C95.5Very high93.8Very high10 Ų1050.4 Ų50.47%0.06826%0.256CS..Hα-helixtrans-60.2-41.8172.6-77.30000111.9C271 L277 S278 C290C271-C274 HydrophobicContact CB-CB 3.95Å; C271-C274 PolarHBondContact O-N 3.37Å; C271-C274 PolarHBondContact SG-N 3.45Å; C271-C274 VanDerWaalsContact SG-N 3.41Å; C274-L277 PolarHBondContact O-N 2.92Å; C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 3.44Å; C274-C290 VanDerWaalsContact SG-SG 3.65Å
275F95.4Very high93.9Very high6 Ų650.8 Ų50.83%0.02626%0.257CS..Hα-helixtrans-61.5-46.7175-178.1-90.5000111.9Y174 F177 I178 E264 E267 L268 C271 N273 N279Y174-F275 AromaticContact CD1-CD1 3.6Å; Y174-F275 HydrophobicContact CD1-CD1 3.6Å; Y174-F275 AromaticContact CD1-CE1 3.9Å; Y174-F275 HydrophobicContact CD1-CE1 3.9Å; Y174-F275 HydrophobicContact CE1-CD1 4.16Å; Y174-F275 HydrophobicContact CG-CD1 4.48Å; F177-F275 HydrophobicContact CB-CE1 4.31Å; F177-F275 HydrophobicContact CB-CZ 4.35Å; F177-F275 HydrophobicContact CD2-CE1 4.3Å; I178-F275 HydrophobicContact CD1-CZ 4.12Å; I178-F275 HydrophobicContact CG1-CE2 4.48Å; I178-F275 HydrophobicContact CG1-CZ 3.73Å; E264-F275 HydrophobicContact CB-CE2 4.1Å; E264-F275 WeakPolarHBondContact O-CE2 3.48Å; E264-F275 WeakPolarHBondContact OE2-CE2 3.21Å; E267-F275 HydrophobicContact CB-CD2 3.77Å; E267-F275 HydrophobicContact CB-CE2 4.42Å; L268-F275 HydrophobicContact CB-CB 4.43Å; L268-F275 HydrophobicContact CB-CD1 4.18Å; L268-F275 HydrophobicContact CB-CD2 3.99Å; L268-F275 HydrophobicContact CB-CE1 4.49Å; L268-F275 HydrophobicContact CB-CE2 4.31Å; L268-F275 HydrophobicContact CB-CG 3.91Å; L268-F275 HydrophobicContact CD1-CB 4.33Å; L268-F275 HydrophobicContact CD1-CD1 3.74Å; L268-F275 HydrophobicContact CD1-CE1 4.33Å; L268-F275 HydrophobicContact CD1-CG 4.09Å; L268-F275 HydrophobicContact CG-CD1 4.45Å; C271-F275 WeakPolarHBondContact O-CB 3.43Å; C271-F275 PolarHBondContact O-N 3.19Å; N273-F275 VanDerWaalsContact C-N 3.32Å; N273-F275 PolarHBondContact O-N 2.78Å; F275-N279 WeakPolarHBondContact CE2-ND2 3.39Å; F275-N279 WeakPolarHBondContact CZ-ND2 3.45Å; F275-N279 PolarHBondContact O-N 3.01Å; F275-N279 PolarHBondContact O-ND2 3.1Å
276Y95.1Very high94Very high42 Ų4250.4 Ų50.417%0.16525%0.254CS..Hα-helixtrans-57.3-54.9175.3-174.6-100.2000111.5Y174 F177 K272 N273 S278 N279 A280 W376 T378Y174-Y276 HydrophobicContact CE1-CD2 4.26Å; F177-Y276 AromaticContact CE2-CD2 3.88Å; F177-Y276 HydrophobicContact CE2-CD2 3.88Å; F177-Y276 AromaticContact CE2-CE2 3.94Å; F177-Y276 HydrophobicContact CE2-CE2 3.94Å; F177-Y276 HydrophobicContact CZ-CD2 4.38Å; F177-Y276 HydrophobicContact CZ-CE2 4.07Å; K272-Y276 WeakPolarHBondContact O-CB 3.37Å; K272-Y276 PolarHBondContact O-N 3.15Å; N273-Y276 PolarHBondContact O-N 3.22Å; Y276-S278 PolarHBondContact O-N 2.78Å; Y276-N279 PolarHBondContact O-N 2.85Å; Y276-A280 HydrophobicContact CD1-CB 4.24Å; Y276-A280 HydrophobicContact CE1-CB 3.75Å; Y276-A280 HydrophobicContact CE2-CB 4.31Å; Y276-A280 WeakPolarHBondContact O-CB 3.19Å; Y276-A280 PolarHBondContact O-N 3.39Å; Y276-W376 AromaticContact CD1-NE1 3.76Å; Y276-W376 AromaticContact CE1-CE2 3.97Å; Y276-W376 HydrophobicContact CE1-CZ2 4.34Å; Y276-W376 AromaticContact CE1-NE1 3.26Å; Y276-W376 VanDerWaalsContact CE1-NE1 3.26Å; Y276-T378 HydrophobicContact CE1-CG2 3.92Å; Y276-T378 HydrophobicContact CE2-CG2 4.45Å
277L95.1Very high94.2Very high4 Ų446 Ų462%0.02123%0.231CC..Hα-helixtrans-67-36.4-172.7-69.9164.4000111.7N273 C274 N279 R281 P282 W285 Y288 W376N273-L277 WeakPolarHBondContact O-CB 3.3Å; N273-L277 WeakPolarHBondContact O-CD1 3.41Å; N273-L277 VanDerWaalsContact O-CG 3.26Å; N273-L277 WeakPolarHBondContact O-CG 3.44Å; N273-L277 PolarHBondContact O-N 3.19Å; C274-L277 PolarHBondContact O-N 2.92Å; L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.21Å; L277-R281 WeakPolarHBondContact O-CA 3.45Å; L277-R281 PolarHBondContact O-N 2.82Å; L277-P282 HydrophobicContact CD2-CG 3.78Å; L277-W285 VanDerWaalsContact C-CE3 3.42Å; L277-W285 HydrophobicContact CB-CB 4.19Å; L277-W285 HydrophobicContact CB-CE3 3.86Å; L277-W285 HydrophobicContact CD2-CB 4.41Å; L277-Y288 HydrophobicContact CD2-CD2 4.22Å; L277-W376 HydrophobicContact CD1-CB 4.49Å; L277-W376 HydrophobicContact CD2-CB 4.06Å; L277-W376 HydrophobicContact CD2-CD2 3.88Å; L277-W376 HydrophobicContact CD2-CE3 4.34Å; L277-W376 HydrophobicContact CD2-CG 3.71Å
278S95Very high94.4Very high16 Ų1646.5 Ų46.511%0.11223%0.232CC..Hα-helixtrans-67.4-25.3176.1-176.40000113.6C274 Y276 R281 W285 R322C274-S278 WeakPolarHBondContact O-CB 3.44Å; C274-S278 PolarHBondContact O-N 3.44Å; Y276-S278 PolarHBondContact O-N 2.78Å; S278-R281 WeakPolarHBondContact O-CG 3.39Å; S278-R281 PolarHBondContact O-NE 2.8Å; S278-W285 VanDerWaalsContact CA-CZ3 3.45Å; S278-R322 PolarHBondContact OG-NH1 3.23Å; S278-R322 PolarHBondContact OG-NH2 3.27Å
279N94.4Very high94.5Very high35 Ų3546.4 Ų46.419%0.18723%0.232CC..Hα-helixtrans-93.3-47.8177.6-80.1-78.9000112.1F177 R181 F275 Y276 L277 R281F177-N279 HydrophobicContact CB-CB 4.17Å; F177-N279 HydrophobicContact CD1-CB 3.66Å; F177-N279 HydrophobicContact CD2-CB 4.06Å; F177-N279 HydrophobicContact CE1-CB 3.96Å; F177-N279 HydrophobicContact CE2-CB 4.34Å; F177-N279 HydrophobicContact CG-CB 3.71Å; F177-N279 HydrophobicContact CZ-CB 4.28Å; R181-N279 PolarHBondContact NH2-OD1 3.05Å; F275-N279 WeakPolarHBondContact CE2-ND2 3.39Å; F275-N279 WeakPolarHBondContact CZ-ND2 3.45Å; F275-N279 PolarHBondContact O-N 3.01Å; F275-N279 PolarHBondContact O-ND2 3.1Å; Y276-N279 PolarHBondContact O-N 2.85Å; L277-N279 VanDerWaalsContact C-N 3.28Å; L277-N279 PolarHBondContact O-N 3.21Å; N279-R281 VanDerWaalsContact C-N 3.35Å
280A93.2Very high94.8Very high40 Ų4041.5 Ų41.533%0.33120%0.202SC..Hα-helixtrans-73.7-24.2-179.400000113.6F177 Y276F177-A280 HydrophobicContact CZ-CB 4.24Å; Y276-A280 HydrophobicContact CD1-CB 4.24Å; Y276-A280 HydrophobicContact CE1-CB 3.75Å; Y276-A280 HydrophobicContact CE2-CB 4.31Å; Y276-A280 WeakPolarHBondContact O-CB 3.19Å; Y276-A280 PolarHBondContact O-N 3.39Å
281R93.5Very high94.8Very high173 Ų17344.2 Ų44.265%0.65322%0.221SC*.  trans41.652.5176.9-61.7-173.4173.6-162.1-3.1115.8L277 S278 N279L277-R281 WeakPolarHBondContact O-CA 3.45Å; L277-R281 PolarHBondContact O-N 2.82Å; S278-R281 WeakPolarHBondContact O-CG 3.39Å; S278-R281 PolarHBondContact O-NE 2.8Å; N279-R281 VanDerWaalsContact C-N 3.35Å
282P94.5Very high94.8Very high27 Ų2748.9 Ų48.918%0.17525%0.251CS..  trans-59.7167.2167.328-35.7000111.9L277 N284 W285 W376L277-P282 HydrophobicContact CD2-CG 3.78Å; P282-N284 PolarHBondContact O-N 3.46Å; P282-W285 HydrophobicContact CG-CB 3.8Å; P282-W285 VanDerWaalsContact O-CB 3.27Å; P282-W285 WeakPolarHBondContact O-CB 3.34Å; P282-W285 PolarHBondContact O-N 2.9Å; P282-W376 HydrophobicContact CB-CE3 4.41Å; P282-W376 HydrophobicContact CB-CH2 3.47Å; P282-W376 VanDerWaalsContact CB-CH2 3.47Å; P282-W376 HydrophobicContact CB-CZ2 4.26Å; P282-W376 HydrophobicContact CB-CZ3 3.57Å; P282-W376 HydrophobicContact CG-CD2 4.48Å; P282-W376 HydrophobicContact CG-CE3 4.1Å; P282-W376 HydrophobicContact CG-CH2 3.75Å; P282-W376 HydrophobicContact CG-CZ2 4.14Å; P282-W376 HydrophobicContact CG-CZ3 3.72Å
283E93.1Very high94.9Very high158 Ų15847.2 Ų47.274%0.73825%0.251SS*.THydrogen-bonded Turntrans-58.4135173.4-157.1-157.9142.500110.4W285E283-W285 PolarHBondContact O-N 2.68Å
284N94.8Very high95.1Very high65 Ų6545.7 Ų45.735%0.34824%0.242SC..THydrogen-bonded Turntrans55.631.8-174.8-53.9-70.4000113.4P282 F286 C287 Y288 F369P282-N284 PolarHBondContact O-N 3.46Å; N284-F286 PolarHBondContact O-N 2.83Å; N284-F286 VanDerWaalsContact O-N 3.12Å; N284-C287 HydrophobicContact CB-CB 3.99Å; N284-C287 WeakPolarHBondContact O-CA 3.25Å; N284-C287 VanDerWaalsContact O-CB 3.3Å; N284-C287 WeakPolarHBondContact O-CB 3.15Å; N284-C287 PolarHBondContact O-N 3.03Å; N284-Y288 VanDerWaalsContact O-CD2 3.32Å; N284-Y288 WeakPolarHBondContact O-CD2 3.09Å; N284-Y288 WeakPolarHBondContact O-CE2 3.28Å; N284-F369 HydrophobicContact CB-CE2 4.4Å
285W96.2Very high95.1Very high26 Ų2649.2 Ų49.210%0.09826%0.261CS..G310 helixtrans-51-38-177.469.9-88.3000113.9L277 S278 P282 E283 C287 H328L277-W285 VanDerWaalsContact C-CE3 3.42Å; L277-W285 HydrophobicContact CB-CB 4.19Å; L277-W285 HydrophobicContact CB-CE3 3.86Å; L277-W285 HydrophobicContact CD2-CB 4.41Å; S278-W285 VanDerWaalsContact CA-CZ3 3.45Å; P282-W285 HydrophobicContact CG-CB 3.8Å; P282-W285 VanDerWaalsContact O-CB 3.27Å; P282-W285 WeakPolarHBondContact O-CB 3.34Å; P282-W285 PolarHBondContact O-N 2.9Å; E283-W285 PolarHBondContact O-N 2.68Å; W285-C287 VanDerWaalsContact C-N 3.28Å; W285-C287 PolarHBondContact O-N 3.41Å; W285-H328 HydrophobicContact CH2-CB 4.1Å; W285-H328 HydrophobicContact CZ2-CB 4.01Å; W285-H328 AromaticContact CZ2-CE1 3.86Å; W285-H328 AromaticContact CZ2-CG 3.57Å; W285-H328 AromaticContact CZ2-ND1 3.38Å; W285-H328 WeakPolarHBondContact CZ2-ND1 3.29Å
286F97.3Very high95.3Very high2 Ų250.2 Ų50.21%0.00927%0.266CS..G310 helixtrans-78.8-11179.2-159.2-116.7000113N284 K310 R322 F324 H328N284-F286 PolarHBondContact O-N 2.83Å; N284-F286 VanDerWaalsContact O-N 3.12Å; F286-K310 HydrophobicContact CE1-CD 4.15Å; F286-K310 HydrophobicContact CE1-CG 4.22Å; F286-K310 HydrophobicContact CE2-CD 4Å; F286-K310 HydrophobicContact CZ-CB 4.4Å; F286-K310 HydrophobicContact CZ-CD 3.68Å; F286-K310 HydrophobicContact CZ-CG 3.91Å; F286-K310 WeakPolarHBondContact O-CE 3.31Å; F286-K310 PolarHBondContact O-NZ 3.42Å; F286-R322 HydrophobicContact CE2-CB 4.45Å; F286-R322 HydrophobicContact CE2-CG 4.11Å; F286-R322 HydrophobicContact CZ-CB 4.18Å; F286-R322 HydrophobicContact CZ-CG 4.09Å; F286-F324 AromaticContact CD1-CD1 3.48Å; F286-F324 HydrophobicContact CD1-CD1 3.48Å; F286-F324 VanDerWaalsContact CD1-CD1 3.48Å; F286-F324 AromaticContact CD1-CE1 3.66Å; F286-F324 HydrophobicContact CD1-CE1 3.66Å; F286-F324 HydrophobicContact CD1-CG 4.03Å; F286-F324 HydrophobicContact CD1-CZ 4.36Å; F286-F324 HydrophobicContact CE1-CB 4.35Å; F286-F324 AromaticContact CE1-CD1 3.57Å; F286-F324 HydrophobicContact CE1-CD1 3.57Å; F286-F324 AromaticContact CE1-CD2 3.95Å; F286-F324 HydrophobicContact CE1-CD2 3.95Å; F286-F324 AromaticContact CE1-CE1 3.72Å; F286-F324 HydrophobicContact CE1-CE1 3.72Å; F286-F324 HydrophobicContact CE1-CE2 4.1Å; F286-F324 AromaticContact CE1-CG 3.69Å; F286-F324 HydrophobicContact CE1-CG 3.69Å; F286-F324 HydrophobicContact CE1-CZ 4Å; F286-H328 AromaticContact CD1-CD2 3.47Å; F286-H328 VanDerWaalsContact CD1-CD2 3.47Å; F286-H328 WeakPolarHBondContact CD1-CD2 3.44Å; F286-H328 AromaticContact CD1-NE2 3.79Å; F286-H328 AromaticContact CE1-CD2 3.96Å; F286-H328 AromaticContact CG-CD2 3.53Å; F286-H328 AromaticContact CG-NE2 3.8Å
287C97.1Very high95.4Very high0 Ų048.5 Ų48.50%026%0.26CS..G310 helixtrans-84.7-15.5177.5-57.60000113.9N284 W285 E362 V365 Y366 F369N284-C287 HydrophobicContact CB-CB 3.99Å; N284-C287 WeakPolarHBondContact O-CA 3.25Å; N284-C287 VanDerWaalsContact O-CB 3.3Å; N284-C287 WeakPolarHBondContact O-CB 3.15Å; N284-C287 PolarHBondContact O-N 3.03Å; W285-C287 VanDerWaalsContact C-N 3.28Å; W285-C287 PolarHBondContact O-N 3.41Å; C287-E362 VanDerWaalsContact SG-CG 3.55Å; C287-V365 HydrophobicContact CB-CB 4.49Å; C287-V365 HydrophobicContact CB-CG1 3.83Å; C287-Y366 WeakPolarHBondContact O-CA 3.25Å; C287-Y366 WeakPolarHBondContact O-CD2 3.3Å; C287-F369 HydrophobicContact CB-CD2 3.82Å; C287-F369 HydrophobicContact CB-CE2 3.9Å; C287-F369 WeakPolarHBondContact O-CD2 3.41Å
288Y96.9Very high95.5Very high36 Ų3648.9 Ų48.914%0.14126%0.261CS..SBendtrans-72.3132.5178.2-66.8-81.1000111.6L277 N284 F369 R374 W376L277-Y288 HydrophobicContact CD2-CD2 4.22Å; N284-Y288 VanDerWaalsContact O-CD2 3.32Å; N284-Y288 WeakPolarHBondContact O-CD2 3.09Å; N284-Y288 WeakPolarHBondContact O-CE2 3.28Å; Y288-F369 HydrophobicContact CD1-CD2 4.11Å; Y288-F369 HydrophobicContact CD1-CE2 4.29Å; Y288-F369 HydrophobicContact CE1-CD2 4.2Å; Y288-F369 AromaticContact CE1-CE2 3.95Å; Y288-F369 HydrophobicContact CE1-CE2 3.95Å; Y288-F369 HydrophobicContact CE2-CE2 4.43Å; Y288-F369 HydrophobicContact CG-CD2 4.49Å; Y288-R374 WeakPolarHBondContact CD1-O 3.29Å; Y288-R374 HydrophobicContact CE1-CG 4.48Å; Y288-W376 HydrophobicContact CD1-CB 3.94Å; Y288-W376 HydrophobicContact CD1-CE3 4.41Å; Y288-W376 HydrophobicContact CD2-CB 4.46Å; Y288-W376 HydrophobicContact CD2-CE3 4.09Å; Y288-W376 HydrophobicContact CE1-CE3 4.05Å; Y288-W376 AromaticContact CE2-CE3 3.71Å; Y288-W376 HydrophobicContact CE2-CE3 3.71Å; Y288-W376 HydrophobicContact CE2-CZ3 4.17Å; Y288-W376 HydrophobicContact CG-CB 3.88Å; Y288-W376 HydrophobicContact CG-CE3 4.44Å; Y288-W376 AromaticContact CZ-CE3 3.69Å
289P96.1Very high95.6Very high0 Ų048.1 Ų48.10%026%0.256CS..  trans-63.1155.4171.8-24.435.9000113.1F369 L370 R374 F375P289-F369 HydrophobicContact CG-CB 4.31Å; P289-L370 HydrophobicContact CB-CD1 3.83Å; P289-L370 HydrophobicContact CG-CB 4.11Å; P289-L370 HydrophobicContact CG-CD1 3.98Å; P289-R374 VanDerWaalsContact CD-O 3.29Å; P289-R374 WeakPolarHBondContact CD-O 3.33Å; P289-F375 HydrophobicContact CB-CD1 3.94Å; P289-F375 HydrophobicContact CB-CE1 3.69Å; P289-F375 HydrophobicContact CB-CZ 4.39Å
290C95.7Very high95.6Very high3 Ų349.2 Ų49.22%0.0226%0.259CS..  trans-109.5169.2169.2-62.60000109.7N273 C274 P292 S293N273-C290 HydrophobicContact CB-CB 4.32Å; N273-C290 VanDerWaalsContact CB-SG 3.58Å; C274-C290 VanDerWaalsContact SG-SG 3.65Å; C290-P292 VanDerWaalsContact C-C 3.49Å; C290-P292 CarbonylContact C-O 3.15Å; C290-P292 CarbonylContact O-C 3.52Å; C290-S293 VanDerWaalsContact O-CA 3.26Å; C290-S293 WeakPolarHBondContact O-CA 3.39Å; C290-S293 PolarHBondContact O-N 3.22Å; C290-S293 VanDerWaalsContact O-N 3.13Å
291T91.5Very high95.6Very high112 Ų11249.5 Ų49.569%0.68725%0.254SS*.SBendtrans-126111.7177.5-52.90000109F375T291-F375 WeakPolarHBondContact OG1-CE1 3.5Å
292P94.2Very high95.4Very high117 Ų11751.3 Ų51.376%0.7627%0.267SS*.SBendcis-62.8159.8-6.830.2-36.5000112.6C290C290-P292 VanDerWaalsContact C-C 3.49Å; C290-P292 CarbonylContact C-O 3.15Å; C290-P292 CarbonylContact O-C 3.52Å
293S94.9Very high95.1Very high61 Ų6153.9 Ų53.943%0.42730%0.298SS..PPolyproline II helixtrans-71.2134176.255.90000110.6C290C290-S293 VanDerWaalsContact O-CA 3.26Å; C290-S293 WeakPolarHBondContact O-CA 3.39Å; C290-S293 PolarHBondContact O-N 3.22Å; C290-S293 VanDerWaalsContact O-N 3.13Å
294H96.9Very high94.9Very high26 Ų2652.3 Ų52.312%0.1229%0.288CS..PPolyproline II helixtrans-63.6138.3173.5-66.6-77000111.6C271 K310 V311C271-H294 PolarHBondContact SG-NE2 2.93Å; H294-K310 HydrophobicContact CB-CB 4.02Å; H294-K310 HydrophobicContact CB-CD 4.37Å; H294-K310 HydrophobicContact CB-CG 4.46Å; H294-V311 WeakPolarHBondContact CB-O 3.43Å; H294-V311 PolarHBondContact ND1-O 3.23Å
295D97Very high94.8Very high85 Ų8550 Ų5046%0.45528%0.28SS..PPolyproline II helixtrans-57.4143.2168.4-64-25.4000109.7K310 V311 R314D295-K310 CarbonylContact O-C 3.57Å; D295-K310 WeakPolarHBondContact O-CA 3.21Å; D295-V311 HydrophobicContact CB-CB 3.99Å; D295-V311 HydrophobicContact CB-CG2 3.87Å; D295-V311 PolarHBondContact O-N 3.07Å; D295-R314 IonicContact OD2-CZ 2.63Å; D295-R314 IonicContact OD2-NE 3.5Å; D295-R314 PolarHBondContact OD2-NE 3.41Å; D295-R314 IonicContact OD2-NH2 3.4Å; D295-R314 PolarHBondContact OD2-NH2 2.99Å
296L98.2Very high94.8Very high27 Ų2750 Ų5014%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-102.4137.6171.8-59.2174.7000108.8A309 K310 F324 I341 L363 Y366 Q367L296-A309 WeakPolarHBondContact CA-O 3.47Å; L296-K310 HydrophobicContact CD2-CG 3.99Å; L296-F324 HydrophobicContact CD2-CE2 3.86Å; L296-F324 HydrophobicContact CD2-CZ 3.92Å; L296-I341 HydrophobicContact CB-CB 3.89Å; L296-I341 HydrophobicContact CB-CD1 4.1Å; L296-I341 HydrophobicContact CB-CG1 3.8Å; L296-I341 HydrophobicContact CB-CG2 4.02Å; L296-I341 WeakPolarHBondContact O-CB 3.4Å; L296-L363 HydrophobicContact CD1-CD1 3.91Å; L296-L363 HydrophobicContact CD2-CD1 4.06Å; L296-L363 HydrophobicContact CG-CD1 4.43Å; L296-Y366 HydrophobicContact CD1-CD1 3.88Å; L296-Y366 HydrophobicContact CD1-CE1 3.82Å; L296-Y366 HydrophobicContact CD2-CD1 3.9Å; L296-Y366 HydrophobicContact CD2-CE1 3.66Å; L296-Y366 HydrophobicContact CG-CD1 4.42Å; L296-Y366 HydrophobicContact CG-CE1 4.05Å; L296-Q367 HydrophobicContact CD1-CG 3.81Å
297V97.8Very high94.8Very high6 Ų652.9 Ų52.94%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-141.6155.8-179.9-67.10000111.2A299 A309 V311 V321 I338V297-A299 HydrophobicContact CG2-CB 4.34Å; V297-A309 HydrophobicContact CG2-CB 4.28Å; V297-A309 PolarHBondContact N-O 3.4Å; V297-A309 PolarHBondContact O-N 3.37Å; V297-V311 HydrophobicContact CB-CG2 4.44Å; V297-V311 HydrophobicContact CG1-CG2 3.74Å; V297-V311 HydrophobicContact CG2-CG2 3.79Å; V297-V321 HydrophobicContact CG2-CG1 4.02Å; V297-I338 HydrophobicContact CB-CG2 3.97Å; V297-I338 HydrophobicContact CG1-CG2 3.73Å; V297-I338 HydrophobicContact CG2-CD1 4.32Å
298W97.6Very high94.8Very high11 Ų1152.9 Ų52.94%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-88.7121.8156.3-63.5104.6000108Y306 P308 Q339 I341 V343 V345 L348 W356W298-Y306 HydrophobicContact CB-CD1 4Å; W298-Y306 HydrophobicContact CB-CG 4.49Å; W298-P308 HydrophobicContact CE3-CB 4.04Å; W298-P308 HydrophobicContact CE3-CG 4.47Å; W298-P308 HydrophobicContact CH2-CB 4.21Å; W298-P308 HydrophobicContact CH2-CG 4.37Å; W298-P308 HydrophobicContact CZ3-CB 3.78Å; W298-P308 HydrophobicContact CZ3-CG 3.85Å; W298-Q339 HydrophobicContact CB-CB 4.18Å; W298-Q339 PolarHBondContact N-O 3.47Å; W298-Q339 PolarHBondContact O-N 3.21Å; W298-I341 HydrophobicContact CD2-CD1 4.26Å; W298-I341 HydrophobicContact CG-CD1 4.36Å; W298-I341 HydrophobicContact CZ2-CD1 4.41Å; W298-I341 PolarHBondContact NE1-O 3.46Å; W298-V343 PolarHBondContact NE1-O 2.69Å; W298-V345 HydrophobicContact CH2-CG2 3.79Å; W298-V345 HydrophobicContact CZ2-CG2 3.67Å; W298-L348 HydrophobicContact CB-CD1 3.94Å; W298-L348 HydrophobicContact CD2-CD1 3.47Å; W298-L348 VanDerWaalsContact CD2-CD1 3.47Å; W298-L348 HydrophobicContact CE3-CD1 4Å; W298-L348 HydrophobicContact CG-CD1 3.4Å; W298-L348 VanDerWaalsContact CG-CD1 3.4Å; W298-W356 HydrophobicContact CH2-CZ2 4.03Å; W298-W356 AromaticContact CZ3-CZ2 3.83Å; W298-W356 HydrophobicContact CZ3-CZ2 3.83Å
299A97Very high94.9Very high0 Ų051.1 Ų51.10%028%0.284CS..EExtended strand (participates in β ladder)trans-121140.5-178.400000110.8V297 Y306 W307 A309 V321 F323 I333 I338V297-A299 HydrophobicContact CG2-CB 4.34Å; A299-Y306 WeakPolarHBondContact O-CA 3.36Å; A299-W307 PolarHBondContact N-O 2.71Å; A299-W307 PolarHBondContact O-N 3.49Å; A299-A309 HydrophobicContact CB-CB 4.38Å; A299-V321 HydrophobicContact CB-CG1 4.46Å; A299-V321 HydrophobicContact CB-CG2 3.99Å; A299-F323 HydrophobicContact CB-CE1 3.7Å; A299-F323 HydrophobicContact CB-CZ 3.88Å; A299-I333 HydrophobicContact CB-CG1 4.2Å; A299-I333 HydrophobicContact CB-CG2 4.28Å; A299-I338 HydrophobicContact CB-CD1 3.59Å
300K95.2Very high95Very high58 Ų5851.2 Ų51.225%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-116.4118.5-178178.6-178.3176-175.70111.3F304 Y306 N337K300-F304 WeakPolarHBondContact CG-O 3.41Å; K300-Y306 HydrophobicContact CB-CD1 3.67Å; K300-Y306 HydrophobicContact CB-CD2 4.4Å; K300-Y306 HydrophobicContact CB-CE1 3.61Å; K300-Y306 HydrophobicContact CB-CE2 4.37Å; K300-Y306 HydrophobicContact CB-CG 4.07Å; K300-Y306 HydrophobicContact CD-CD2 4.36Å; K300-Y306 HydrophobicContact CD-CE2 3.95Å; K300-N337 HydrophobicContact CB-CB 4.21Å; K300-N337 PolarHBondContact N-O 3.44Å
301M92.6Very high95.1Very high47 Ų4751.5 Ų51.523%0.23229%0.286CS..  trans-84.6150.1168.5-71.9179.276.200111G303 F304 F323 A331 I333M301-G303 PolarHBondContact O-N 2.87Å; M301-F304 HydrophobicContact CB-CB 4.29Å; M301-F304 HydrophobicContact CB-CD2 3.92Å; M301-F304 HydrophobicContact CB-CG 4.48Å; M301-F304 PolarHBondContact O-N 3.15Å; M301-F323 HydrophobicContact CG-CE2 4.02Å; M301-F323 HydrophobicContact CG-CZ 3.95Å; M301-F323 HydrophobicContact SD-CD2 4.47Å; M301-F323 HydrophobicContact SD-CE2 3.68Å; M301-F323 HydrophobicContact SD-CZ 4.17Å; M301-A331 HydrophobicContact CE-CB 4.03Å; M301-A331 HydrophobicContact SD-CB 4.08Å; M301-I333 HydrophobicContact CB-CD1 4.42Å; M301-I333 HydrophobicContact CG-CD1 3.36Å
302K89.1Confident95.3Very high211 Ų21147.3 Ų47.392%0.91726%0.259SS*.THydrogen-bonded Turntrans-57.6127.3173.7-172.9177.3-179.2179.40110.1F304K302-F304 VanDerWaalsContact C-N 3.34Å; K302-F304 WeakPolarHBondContact O-CD2 3.3Å
303G87.6Confident95.3Very high80 Ų8044.9 Ų44.983%0.82524%0.238SC*.THydrogen-bonded Turntrans86.2-6.3-175.500000115.3M301M301-G303 PolarHBondContact O-N 2.87Å
304F89.8Confident95.3Very high125 Ų12548.1 Ų48.155%0.54824%0.241SC..SBendtrans-119.6163.9179.7-61.7-90.2000111.6K300 M301 K302K300-F304 WeakPolarHBondContact CG-O 3.41Å; M301-F304 HydrophobicContact CB-CB 4.29Å; M301-F304 HydrophobicContact CB-CD2 3.92Å; M301-F304 HydrophobicContact CB-CG 4.48Å; M301-F304 PolarHBondContact O-N 3.15Å; K302-F304 VanDerWaalsContact C-N 3.34Å; K302-F304 WeakPolarHBondContact O-CD2 3.3Å
305G92.6Very high95.2Very high16 Ų1651.5 Ų51.517%0.16526%0.257CS..  trans-77.4-174167.400000111.8Q349G305-Q349 WeakPolarHBondContact CA-O 3.4Å
306Y96.1Very high94.9Very high27 Ų2755.1 Ų55.111%0.10628%0.276CS..EExtended strand (participates in β ladder)trans-71.5133.5170.7-73.7-85.2000112W298 A299 K300 Q339 L348 V350 W356W298-Y306 HydrophobicContact CB-CD1 4Å; W298-Y306 HydrophobicContact CB-CG 4.49Å; A299-Y306 WeakPolarHBondContact O-CA 3.36Å; K300-Y306 HydrophobicContact CB-CD1 3.67Å; K300-Y306 HydrophobicContact CB-CD2 4.4Å; K300-Y306 HydrophobicContact CB-CE1 3.61Å; K300-Y306 HydrophobicContact CB-CE2 4.37Å; K300-Y306 HydrophobicContact CB-CG 4.07Å; K300-Y306 HydrophobicContact CD-CD2 4.36Å; K300-Y306 HydrophobicContact CD-CE2 3.95Å; Y306-Q339 HydrophobicContact CD1-CG 4.43Å; Y306-Q339 HydrophobicContact CE1-CB 4.38Å; Y306-Q339 HydrophobicContact CE1-CG 3.65Å; Y306-L348 HydrophobicContact CD1-CD2 4.47Å; Y306-L348 HydrophobicContact CD2-CB 4.1Å; Y306-L348 HydrophobicContact CD2-CD2 3.96Å; Y306-L348 HydrophobicContact CE2-CD2 4.2Å; Y306-L348 HydrophobicContact CG-CB 4.43Å; Y306-L348 HydrophobicContact CG-CD2 4.09Å; Y306-V350 WeakPolarHBondContact O-CG1 3.3Å; Y306-W356 PolarHBondContact O-NE1 3.18Å
307W97Very high94.7Very high62 Ų6260.2 Ų60.224%0.23530%0.303CS..EExtended strand (participates in β ladder)trans-124150.3173.1-75.773000110.2A299 F323 W356 A359A299-W307 PolarHBondContact N-O 2.71Å; A299-W307 PolarHBondContact O-N 3.49Å; W307-F323 HydrophobicContact CB-CD1 3.5Å; W307-F323 VanDerWaalsContact CB-CD1 3.5Å; W307-F323 HydrophobicContact CB-CE1 3.7Å; W307-W356 AromaticContact CD2-CD1 3.75Å; W307-W356 AromaticContact CE2-CD1 3.81Å; W307-W356 HydrophobicContact CH2-CB 3.85Å; W307-W356 VanDerWaalsContact CH2-N 3.31Å; W307-W356 HydrophobicContact CZ2-CB 3.93Å; W307-W356 HydrophobicContact CZ3-CB 4.15Å; W307-A359 HydrophobicContact CE3-CB 3.83Å; W307-A359 HydrophobicContact CZ3-CB 3.87Å
308P97.8Very high94.6Very high0 Ų063 Ų630%032%0.316CS..EExtended strand (participates in β ladder)trans-75.6140.117827.8-24000109.9W298 F324 I341 A359 L363W298-P308 HydrophobicContact CE3-CB 4.04Å; W298-P308 HydrophobicContact CE3-CG 4.47Å; W298-P308 HydrophobicContact CH2-CB 4.21Å; W298-P308 HydrophobicContact CH2-CG 4.37Å; W298-P308 HydrophobicContact CZ3-CB 3.78Å; W298-P308 HydrophobicContact CZ3-CG 3.85Å; P308-F324 HydrophobicContact CB-CD2 4.19Å; P308-F324 HydrophobicContact CG-CB 4.24Å; P308-F324 WeakPolarHBondContact O-CD2 3.32Å; P308-F324 PolarHBondContact O-N 3Å; P308-I341 HydrophobicContact CB-CD1 4.41Å; P308-A359 HydrophobicContact CG-CB 4.05Å; P308-L363 HydrophobicContact CB-CB 4.4Å; P308-L363 HydrophobicContact CB-CD1 4.43Å; P308-L363 HydrophobicContact CB-CD2 3.8Å; P308-L363 HydrophobicContact CB-CG 4.43Å; P308-L363 HydrophobicContact CG-CD2 4.49Å
309A98.3Very high94.6Very high0 Ų062.7 Ų62.70%032%0.315CS..EExtended strand (participates in β ladder)trans-148.1159.2-177.700000113L296 V297 A299 V321 R322 F323L296-A309 WeakPolarHBondContact CA-O 3.47Å; V297-A309 HydrophobicContact CG2-CB 4.28Å; V297-A309 PolarHBondContact N-O 3.4Å; V297-A309 PolarHBondContact O-N 3.37Å; A299-A309 HydrophobicContact CB-CB 4.38Å; A309-V321 HydrophobicContact CB-CB 3.73Å; A309-V321 HydrophobicContact CB-CG1 4.48Å; A309-V321 HydrophobicContact CB-CG2 3.85Å; A309-R322 WeakPolarHBondContact CA-O 3.3Å; A309-F323 HydrophobicContact CB-CD1 3.7Å; A309-F323 HydrophobicContact CB-CE1 4.03Å; A309-F323 HydrophobicContact CB-CG 4.2Å
310K98.1Very high94.6Very high2 Ų262.7 Ų62.71%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-94.6136.3166.4-61.7-174.1-174.1178.90109.9F286 H294 D295 L296 V321 R322 F324 Y366F286-K310 HydrophobicContact CE1-CD 4.15Å; F286-K310 HydrophobicContact CE1-CG 4.22Å; F286-K310 HydrophobicContact CE2-CD 4Å; F286-K310 HydrophobicContact CZ-CB 4.4Å; F286-K310 HydrophobicContact CZ-CD 3.68Å; F286-K310 HydrophobicContact CZ-CG 3.91Å; F286-K310 WeakPolarHBondContact O-CE 3.31Å; F286-K310 PolarHBondContact O-NZ 3.42Å; H294-K310 HydrophobicContact CB-CB 4.02Å; H294-K310 HydrophobicContact CB-CD 4.37Å; H294-K310 HydrophobicContact CB-CG 4.46Å; D295-K310 CarbonylContact O-C 3.57Å; D295-K310 WeakPolarHBondContact O-CA 3.21Å; L296-K310 HydrophobicContact CD2-CG 3.99Å; K310-V321 CarbonylContact O-C 3.58Å; K310-V321 VanDerWaalsContact O-CA 3.23Å; K310-V321 WeakPolarHBondContact O-CA 3.41Å; K310-R322 PolarHBondContact N-O 3.31Å; K310-R322 PolarHBondContact O-N 3.42Å; K310-F324 HydrophobicContact CD-CZ 4.33Å; K310-F324 HydrophobicContact CG-CE2 3.71Å; K310-F324 HydrophobicContact CG-CZ 3.77Å; K310-Y366 HydrophobicContact CD-CE2 4.39Å; K310-Y366 VanDerWaalsContact CE-CE2 3.4Å; K310-Y366 VanDerWaalsContact NZ-CE2 3.27Å
311V97.8Very high94.7Very high8 Ų860 Ų605%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-80.2125.8171-179.80000110H294 D295 V297 R314 V319 V321H294-V311 WeakPolarHBondContact CB-O 3.43Å; H294-V311 PolarHBondContact ND1-O 3.23Å; D295-V311 HydrophobicContact CB-CB 3.99Å; D295-V311 HydrophobicContact CB-CG2 3.87Å; D295-V311 PolarHBondContact O-N 3.07Å; V297-V311 HydrophobicContact CB-CG2 4.44Å; V297-V311 HydrophobicContact CG1-CG2 3.74Å; V297-V311 HydrophobicContact CG2-CG2 3.79Å; V311-R314 HydrophobicContact CG1-CG 3.87Å; V311-V319 HydrophobicContact CB-CG1 4.25Å; V311-V319 HydrophobicContact CG1-CG1 3.55Å; V311-V319 HydrophobicContact CG2-CG1 3.82Å; V311-V321 HydrophobicContact CG2-CG1 4.34Å
312L95.8Very high95Very high25 Ų2559 Ų5913%0.13130%0.297CS..EExtended strand (participates in β ladder)trans-92.6-44.6174.2-62.6179.7000111.4D320 R322 R330L312-D320 PolarHBondContact N-O 2.88Å; L312-R322 HydrophobicContact CD1-CB 4.13Å; L312-R322 HydrophobicContact CG-CB 4.39Å; L312-R330 HydrophobicContact CD1-CG 4.36Å
313Q95.1Very high95.4Very high65 Ų6549.6 Ų49.630%0.30426%0.256SS..EExtended strand (participates in β ladder)trans-155.6165.2177.654.7-179.2-13.600110.7L270 D320 W332L270-Q313 HydrophobicContact CD2-CB 4.25Å; L270-Q313 HydrophobicContact CD2-CG 4.21Å; Q313-D320 HydrophobicContact CG-CB 3.41Å; Q313-D320 VanDerWaalsContact CG-CB 3.41Å; Q313-D320 WeakPolarHBondContact CG-OD2 3.43Å; Q313-D320 PolarHBondContact NE2-OD2 3.15Å; Q313-D320 PolarHBondContact O-N 3.33Å; Q313-W332 HydrophobicContact CG-CH2 3.81Å; Q313-W332 HydrophobicContact CG-CZ2 4.32Å; Q313-W332 HydrophobicContact CG-CZ3 4.44Å; Q313-W332 VanDerWaalsContact NE2-CZ2 3.29Å
314R94.9Very high95.9Very high130 Ų13045.9 Ų45.949%0.49122%0.217SC..EExtended strand (participates in β ladder)trans-130.4136179.7-63.4176.7-178.8-87.45.8109.2D295 V311 V319D295-R314 IonicContact OD2-CZ 2.63Å; D295-R314 IonicContact OD2-NE 3.5Å; D295-R314 PolarHBondContact OD2-NE 3.41Å; D295-R314 IonicContact OD2-NH2 3.4Å; D295-R314 PolarHBondContact OD2-NH2 2.99Å; V311-R314 HydrophobicContact CG1-CG 3.87Å; R314-V319 HydrophobicContact CG-CG1 4.16Å; R314-V319 HydrophobicContact CG-CG2 4.35Å
315E94.3Very high96.1Very high97 Ų9740.3 Ų40.345%0.45320%0.195SC..EExtended strand (participates in β ladder)trans-118.4164.6164.9-66.3176.6172.200108N317 Q318 W332E315-N317 PolarHBondContact O-N 3.33Å; E315-N317 VanDerWaalsContact O-N 3.07Å; E315-Q318 CarbonylContact C-O 3.58Å; E315-Q318 HydrophobicContact CB-CG 4.1Å; E315-Q318 PolarHBondContact N-O 3.06Å; E315-Q318 PolarHBondContact O-N 2.9Å; E315-Q318 PolarHBondContact OE2-NE2 2.8Å; E315-W332 HydrophobicContact CB-CZ3 4.21Å; E315-W332 HydrophobicContact CG-CH2 3.69Å; E315-W332 HydrophobicContact CG-CZ3 3.78Å; E315-W332 WeakPolarHBondContact OE1-CH2 3.49Å
316D89.7Confident95.9Very high161 Ų16148.2 Ų48.286%0.86123%0.227SC*.THydrogen-bonded Turntrans-54.3-37.9-168.4-60.9-39.5000113.9
317N94.8Very high95.6Very high133 Ų13354.4 Ų54.471%0.71126%0.257SS*.THydrogen-bonded Turntrans-107.4-6.8-176.7-65.3-28.5000114.5E315 P334 S335E315-N317 PolarHBondContact O-N 3.33Å; E315-N317 VanDerWaalsContact O-N 3.07Å; N317-P334 WeakPolarHBondContact O-CA 3.45Å; N317-S335 VanDerWaalsContact C-OG 3.25Å; N317-S335 PolarHBondContact O-N 2.87Å; N317-S335 PolarHBondContact O-OG 2.74Å
318Q96.5Very high95.5Very high66 Ų6652.6 Ų52.631%0.30825%0.251SS..EExtended strand (participates in β ladder)trans-153.1150.5-172.457.817613.500113.7E315 W332 I333 S335E315-Q318 CarbonylContact C-O 3.58Å; E315-Q318 HydrophobicContact CB-CG 4.1Å; E315-Q318 PolarHBondContact N-O 3.06Å; E315-Q318 PolarHBondContact O-N 2.9Å; E315-Q318 PolarHBondContact OE2-NE2 2.8Å; Q318-W332 HydrophobicContact CB-CE3 4.04Å; Q318-W332 HydrophobicContact CG-CD2 4.37Å; Q318-W332 HydrophobicContact CG-CE3 3.54Å; Q318-W332 HydrophobicContact CG-CZ3 3.9Å; Q318-I333 CarbonylContact C-O 3.58Å; Q318-I333 WeakPolarHBondContact CA-O 3.44Å; Q318-S335 PolarHBondContact N-OG 3.26Å
319V97.6Very high95.4Very high4 Ų456.8 Ų56.82%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-119.9124.8-178-174.90000109.1V311 R314 V321 I333 I338V311-V319 HydrophobicContact CB-CG1 4.25Å; V311-V319 HydrophobicContact CG1-CG1 3.55Å; V311-V319 HydrophobicContact CG2-CG1 3.82Å; R314-V319 HydrophobicContact CG-CG1 4.16Å; R314-V319 HydrophobicContact CG-CG2 4.35Å; V319-V321 HydrophobicContact CB-CG1 4.32Å; V319-V321 HydrophobicContact CG1-CG1 3.69Å; V319-V321 PolarHBondContact O-N 3.22Å; V319-I333 PolarHBondContact N-O 3.05Å; V319-I333 PolarHBondContact O-N 3.43Å; V319-I338 HydrophobicContact CB-CD1 4.19Å; V319-I338 HydrophobicContact CB-CG1 4.07Å; V319-I338 HydrophobicContact CG2-CG1 3.95Å
320D97Very high95.2Very high0 Ų060 Ų600%028%0.283CS..EExtended strand (participates in β ladder)trans-81.8114.8174-176.9-0.5000108.6L312 Q313 R330 W332L312-D320 PolarHBondContact N-O 2.88Å; Q313-D320 HydrophobicContact CG-CB 3.41Å; Q313-D320 VanDerWaalsContact CG-CB 3.41Å; Q313-D320 WeakPolarHBondContact CG-OD2 3.43Å; Q313-D320 PolarHBondContact NE2-OD2 3.15Å; Q313-D320 PolarHBondContact O-N 3.33Å; D320-R330 WeakPolarHBondContact OD1-CG 3.19Å; D320-R330 IonicContact OD1-CZ 2.84Å; D320-R330 IonicContact OD1-NE 2.77Å; D320-R330 PolarHBondContact OD1-NE 2.84Å; D320-R330 IonicContact OD1-NH2 3.64Å; D320-R330 IonicContact OD2-CZ 3.39Å; D320-R330 IonicContact OD2-NE 2.69Å; D320-R330 PolarHBondContact OD2-NE 2.89Å; D320-R330 IonicContact OD2-NH2 3.96Å; D320-R330 PolarHBondContact OD2-NH2 3.12Å; D320-W332 HydrophobicContact CB-CD2 3.88Å; D320-W332 HydrophobicContact CB-CE3 3.71Å; D320-W332 HydrophobicContact CB-CH2 3.85Å; D320-W332 HydrophobicContact CB-CZ2 3.98Å; D320-W332 HydrophobicContact CB-CZ3 3.7Å
321V97.4Very high95.1Very high0 Ų060.7 Ų60.70%029%0.289CS..EExtended strand (participates in β ladder)trans-123.5149.4-177-51.70000111.6V297 A299 A309 K310 V311 V319 F323 R330 A331 I333 I338V297-V321 HydrophobicContact CG2-CG1 4.02Å; A299-V321 HydrophobicContact CB-CG1 4.46Å; A299-V321 HydrophobicContact CB-CG2 3.99Å; A309-V321 HydrophobicContact CB-CB 3.73Å; A309-V321 HydrophobicContact CB-CG1 4.48Å; A309-V321 HydrophobicContact CB-CG2 3.85Å; K310-V321 CarbonylContact O-C 3.58Å; K310-V321 VanDerWaalsContact O-CA 3.23Å; K310-V321 WeakPolarHBondContact O-CA 3.41Å; V311-V321 HydrophobicContact CG2-CG1 4.34Å; V319-V321 HydrophobicContact CB-CG1 4.32Å; V319-V321 HydrophobicContact CG1-CG1 3.69Å; V319-V321 PolarHBondContact O-N 3.22Å; V321-F323 HydrophobicContact CG2-CD2 4.29Å; V321-F323 HydrophobicContact CG2-CE1 4.28Å; V321-F323 HydrophobicContact CG2-CE2 3.74Å; V321-F323 HydrophobicContact CG2-CZ 3.74Å; V321-R330 VanDerWaalsContact O-CA 3.31Å; V321-R330 WeakPolarHBondContact O-CA 3.38Å; V321-A331 PolarHBondContact N-O 2.94Å; V321-A331 PolarHBondContact O-N 2.84Å; V321-I333 HydrophobicContact CG2-CG1 3.59Å; V321-I338 HydrophobicContact CG1-CD1 4.22Å
322R97.8Very high95Very high28 Ų2864.7 Ų64.711%0.10630%0.303CS..EExtended strand (participates in β ladder)trans-115.9115.6168.5-162.4162.6-176.9-178.9-9.5109.7E267 S278 F286 A309 K310 L312 H328 Q329 R330E267-R322 IonicContact OE2-NH1 3.81Å; S278-R322 PolarHBondContact OG-NH1 3.23Å; S278-R322 PolarHBondContact OG-NH2 3.27Å; F286-R322 HydrophobicContact CE2-CB 4.45Å; F286-R322 HydrophobicContact CE2-CG 4.11Å; F286-R322 HydrophobicContact CZ-CB 4.18Å; F286-R322 HydrophobicContact CZ-CG 4.09Å; A309-R322 WeakPolarHBondContact CA-O 3.3Å; K310-R322 PolarHBondContact N-O 3.31Å; K310-R322 PolarHBondContact O-N 3.42Å; L312-R322 HydrophobicContact CD1-CB 4.13Å; L312-R322 HydrophobicContact CG-CB 4.39Å; R322-H328 WeakPolarHBondContact CG-O 3.37Å; R322-H328 PolarHBondContact NE-O 3.46Å; R322-Q329 CarbonylContact C-O 3.6Å; R322-Q329 WeakPolarHBondContact CA-O 3.3Å; R322-R330 HydrophobicContact CG-CB 4.48Å
323F97.8Very high95.1Very high12 Ų1263.6 Ų63.65%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-70.3148.5-175.4-69.9-78.9000112A299 M301 W307 A309 V321 H328 Q329 A331 I333A299-F323 HydrophobicContact CB-CE1 3.7Å; A299-F323 HydrophobicContact CB-CZ 3.88Å; M301-F323 HydrophobicContact CG-CE2 4.02Å; M301-F323 HydrophobicContact CG-CZ 3.95Å; M301-F323 HydrophobicContact SD-CD2 4.47Å; M301-F323 HydrophobicContact SD-CE2 3.68Å; M301-F323 HydrophobicContact SD-CZ 4.17Å; W307-F323 HydrophobicContact CB-CD1 3.5Å; W307-F323 VanDerWaalsContact CB-CD1 3.5Å; W307-F323 HydrophobicContact CB-CE1 3.7Å; A309-F323 HydrophobicContact CB-CD1 3.7Å; A309-F323 HydrophobicContact CB-CE1 4.03Å; A309-F323 HydrophobicContact CB-CG 4.2Å; V321-F323 HydrophobicContact CG2-CD2 4.29Å; V321-F323 HydrophobicContact CG2-CE1 4.28Å; V321-F323 HydrophobicContact CG2-CE2 3.74Å; V321-F323 HydrophobicContact CG2-CZ 3.74Å; F323-H328 WeakPolarHBondContact O-CA 3.43Å; F323-Q329 HydrophobicContact CD2-CB 4.48Å; F323-Q329 WeakPolarHBondContact CD2-O 3.5Å; F323-Q329 PolarHBondContact N-O 3.28Å; F323-A331 HydrophobicContact CE2-CB 4.21Å; F323-I333 HydrophobicContact CE2-CD1 4.3Å; F323-I333 HydrophobicContact CZ-CD1 4.01Å; F323-I333 HydrophobicContact CZ-CG1 4.3Å
324F97.7Very high95.2Very high3 Ų363 Ų631%0.01330%0.299CS..  trans-75.9162.7163.8-70.1-96.8000110.5F286 L296 P308 K310 A359 E362 L363 Y366F286-F324 AromaticContact CD1-CD1 3.48Å; F286-F324 HydrophobicContact CD1-CD1 3.48Å; F286-F324 VanDerWaalsContact CD1-CD1 3.48Å; F286-F324 AromaticContact CD1-CE1 3.66Å; F286-F324 HydrophobicContact CD1-CE1 3.66Å; F286-F324 HydrophobicContact CD1-CG 4.03Å; F286-F324 HydrophobicContact CD1-CZ 4.36Å; F286-F324 HydrophobicContact CE1-CB 4.35Å; F286-F324 AromaticContact CE1-CD1 3.57Å; F286-F324 HydrophobicContact CE1-CD1 3.57Å; F286-F324 AromaticContact CE1-CD2 3.95Å; F286-F324 HydrophobicContact CE1-CD2 3.95Å; F286-F324 AromaticContact CE1-CE1 3.72Å; F286-F324 HydrophobicContact CE1-CE1 3.72Å; F286-F324 HydrophobicContact CE1-CE2 4.1Å; F286-F324 AromaticContact CE1-CG 3.69Å; F286-F324 HydrophobicContact CE1-CG 3.69Å; F286-F324 HydrophobicContact CE1-CZ 4Å; L296-F324 HydrophobicContact CD2-CE2 3.86Å; L296-F324 HydrophobicContact CD2-CZ 3.92Å; P308-F324 HydrophobicContact CB-CD2 4.19Å; P308-F324 HydrophobicContact CG-CB 4.24Å; P308-F324 WeakPolarHBondContact O-CD2 3.32Å; P308-F324 PolarHBondContact O-N 3Å; K310-F324 HydrophobicContact CD-CZ 4.33Å; K310-F324 HydrophobicContact CG-CE2 3.71Å; K310-F324 HydrophobicContact CG-CZ 3.77Å; F324-A359 HydrophobicContact CB-CB 4.06Å; F324-A359 WeakPolarHBondContact CB-O 3.38Å; F324-A359 WeakPolarHBondContact O-CB 3.37Å; F324-E362 HydrophobicContact CD1-CB 4.11Å; F324-E362 HydrophobicContact CD1-CG 3.89Å; F324-L363 HydrophobicContact CD1-CB 4.3Å; F324-L363 HydrophobicContact CD2-CB 4.45Å; F324-L363 HydrophobicContact CD2-CD1 4.18Å; F324-L363 HydrophobicContact CE1-CB 4.42Å; F324-L363 HydrophobicContact CE1-CD1 4.46Å; F324-L363 HydrophobicContact CE2-CD1 3.65Å; F324-L363 HydrophobicContact CG-CB 4.32Å; F324-L363 HydrophobicContact CZ-CD1 3.8Å; F324-Y366 HydrophobicContact CE1-CG 4.11Å; F324-Y366 HydrophobicContact CZ-CD1 4.21Å; F324-Y366 HydrophobicContact CZ-CD2 4.47Å; F324-Y366 AromaticContact CZ-CG 3.97Å; F324-Y366 HydrophobicContact CZ-CG 3.97Å
325G94Very high95.2Very high7 Ų759.1 Ų59.17%0.07229%0.292CS..SBendtrans96.4172.9-178.100000113.6Q327 H328 E362G325-Q327 VanDerWaalsContact C-N 3.29Å; G325-Q327 PolarHBondContact O-N 3.36Å; G325-H328 PolarHBondContact O-CD2 3.12Å; G325-H328 PolarHBondContact O-CE1 2.98Å; G325-H328 PolarHBondContact O-N 2.88Å; G325-H328 PolarHBondContact O-ND1 3.23Å; G325-H328 PolarHBondContact O-NE2 3.15Å; G325-E362 PolarHBondContact N-OE2 3.22Å
326H88.6Confident95.3Very high182 Ų18260.8 Ų60.884%0.84330%0.3SS*.THydrogen-bonded Turntrans-51.6-32.5-158.3-176.455.2000117.5
327Q90.2Very high95.6Very high157 Ų15755 Ų5573%0.73427%0.269SS*.THydrogen-bonded Turntrans-90-15.4-178.1-68.9-179.2-12.900113.6G325 Q329G325-Q327 VanDerWaalsContact C-N 3.29Å; G325-Q327 PolarHBondContact O-N 3.36Å; Q327-Q329 PolarHBondContact O-N 2.91Å; Q327-Q329 VanDerWaalsContact O-N 3.07Å
328H94.9Very high95.7Very high25 Ų2549.8 Ų49.812%0.11624%0.241CC..  trans42.441.7-173.1-60.8104.4000113.5W285 F286 R322 F323 G325 E362W285-H328 HydrophobicContact CH2-CB 4.1Å; W285-H328 HydrophobicContact CZ2-CB 4.01Å; W285-H328 AromaticContact CZ2-CE1 3.86Å; W285-H328 AromaticContact CZ2-CG 3.57Å; W285-H328 AromaticContact CZ2-ND1 3.38Å; W285-H328 WeakPolarHBondContact CZ2-ND1 3.29Å; F286-H328 AromaticContact CD1-CD2 3.47Å; F286-H328 VanDerWaalsContact CD1-CD2 3.47Å; F286-H328 WeakPolarHBondContact CD1-CD2 3.44Å; F286-H328 AromaticContact CD1-NE2 3.79Å; F286-H328 AromaticContact CE1-CD2 3.96Å; F286-H328 AromaticContact CG-CD2 3.53Å; F286-H328 AromaticContact CG-NE2 3.8Å; R322-H328 WeakPolarHBondContact CG-O 3.37Å; R322-H328 PolarHBondContact NE-O 3.46Å; F323-H328 WeakPolarHBondContact O-CA 3.43Å; G325-H328 PolarHBondContact O-CD2 3.12Å; G325-H328 PolarHBondContact O-CE1 2.98Å; G325-H328 PolarHBondContact O-N 2.88Å; G325-H328 PolarHBondContact O-ND1 3.23Å; G325-H328 PolarHBondContact O-NE2 3.15Å; H328-E362 IonicContact CD2-OE1 2.89Å; H328-E362 IonicContact CD2-OE2 2.66Å; H328-E362 IonicContact CE1-OE1 3.01Å; H328-E362 PolarHBondContact CE1-OE1 2.8Å; H328-E362 VanDerWaalsContact NE2-CD 3.33Å; H328-E362 IonicContact NE2-OE1 2.68Å; H328-E362 PolarHBondContact NE2-OE1 2.99Å; H328-E362 IonicContact NE2-OE2 3.61Å; H328-E362 PolarHBondContact NE2-OE2 3.37Å; H328-E362 VanDerWaalsContact NE2-OE2 3.08Å
329Q94.3Very high95.7Very high88 Ų8850.1 Ų50.141%0.41124%0.243SC..  trans-60.9143.7-171.9-174.217612.900110.7R322 F323 Q327R322-Q329 CarbonylContact C-O 3.6Å; R322-Q329 WeakPolarHBondContact CA-O 3.3Å; F323-Q329 HydrophobicContact CD2-CB 4.48Å; F323-Q329 WeakPolarHBondContact CD2-O 3.5Å; F323-Q329 PolarHBondContact N-O 3.28Å; Q327-Q329 PolarHBondContact O-N 2.91Å; Q327-Q329 VanDerWaalsContact O-N 3.07Å
330R94.3Very high95.6Very high66 Ų6653.8 Ų53.825%0.24926%0.262CS..EExtended strand (participates in β ladder)trans-109.5140.3174-174.9-178.9172.6-17115110.4H263 E267 L312 D320 V321 R322H263-R330 PolarHBondContact CE1-NH1 3.4Å; E267-R330 IonicContact OE1-CZ 3.87Å; E267-R330 IonicContact OE1-NH1 2.75Å; E267-R330 PolarHBondContact OE1-NH1 2.85Å; E267-R330 IonicContact OE1-NH2 2.66Å; E267-R330 PolarHBondContact OE1-NH2 3.49Å; E267-R330 IonicContact OE2-NH1 3.93Å; L312-R330 HydrophobicContact CD1-CG 4.36Å; D320-R330 WeakPolarHBondContact OD1-CG 3.19Å; D320-R330 IonicContact OD1-CZ 2.84Å; D320-R330 IonicContact OD1-NE 2.77Å; D320-R330 PolarHBondContact OD1-NE 2.84Å; D320-R330 IonicContact OD1-NH2 3.64Å; D320-R330 IonicContact OD2-CZ 3.39Å; D320-R330 IonicContact OD2-NE 2.69Å; D320-R330 PolarHBondContact OD2-NE 2.89Å; D320-R330 IonicContact OD2-NH2 3.96Å; D320-R330 PolarHBondContact OD2-NH2 3.12Å; V321-R330 VanDerWaalsContact O-CA 3.31Å; V321-R330 WeakPolarHBondContact O-CA 3.38Å; R322-R330 HydrophobicContact CG-CB 4.48Å
331A95.7Very high95.6Very high17 Ų1755.3 Ų55.314%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-154.9149.7175.500000111.7M301 V321 F323 I333M301-A331 HydrophobicContact CE-CB 4.03Å; M301-A331 HydrophobicContact SD-CB 4.08Å; V321-A331 PolarHBondContact N-O 2.94Å; V321-A331 PolarHBondContact O-N 2.84Å; F323-A331 HydrophobicContact CE2-CB 4.21Å; A331-I333 HydrophobicContact CB-CD1 3.93Å; A331-I333 HydrophobicContact CB-CG1 4.46Å
332W96.6Very high95.5Very high92 Ų9263.9 Ų63.935%0.34831%0.307SS..EExtended strand (participates in β ladder)trans-78.2128.9159.5-71.799.5000109.4Q313 E315 Q318 D320Q313-W332 HydrophobicContact CG-CH2 3.81Å; Q313-W332 HydrophobicContact CG-CZ2 4.32Å; Q313-W332 HydrophobicContact CG-CZ3 4.44Å; Q313-W332 VanDerWaalsContact NE2-CZ2 3.29Å; E315-W332 HydrophobicContact CB-CZ3 4.21Å; E315-W332 HydrophobicContact CG-CH2 3.69Å; E315-W332 HydrophobicContact CG-CZ3 3.78Å; E315-W332 WeakPolarHBondContact OE1-CH2 3.49Å; Q318-W332 HydrophobicContact CB-CE3 4.04Å; Q318-W332 HydrophobicContact CG-CD2 4.37Å; Q318-W332 HydrophobicContact CG-CE3 3.54Å; Q318-W332 HydrophobicContact CG-CZ3 3.9Å; D320-W332 HydrophobicContact CB-CD2 3.88Å; D320-W332 HydrophobicContact CB-CE3 3.71Å; D320-W332 HydrophobicContact CB-CH2 3.85Å; D320-W332 HydrophobicContact CB-CZ2 3.98Å; D320-W332 HydrophobicContact CB-CZ3 3.7Å
333I97.7Very high95.3Very high3 Ų364.3 Ų64.32%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-122.5126.3-176.7-55.8-65.2000108.1A299 M301 Q318 V319 V321 F323 A331 N337 I338A299-I333 HydrophobicContact CB-CG1 4.2Å; A299-I333 HydrophobicContact CB-CG2 4.28Å; M301-I333 HydrophobicContact CB-CD1 4.42Å; M301-I333 HydrophobicContact CG-CD1 3.36Å; Q318-I333 CarbonylContact C-O 3.58Å; Q318-I333 WeakPolarHBondContact CA-O 3.44Å; V319-I333 PolarHBondContact N-O 3.05Å; V319-I333 PolarHBondContact O-N 3.43Å; V321-I333 HydrophobicContact CG2-CG1 3.59Å; F323-I333 HydrophobicContact CE2-CD1 4.3Å; F323-I333 HydrophobicContact CZ-CD1 4.01Å; F323-I333 HydrophobicContact CZ-CG1 4.3Å; A331-I333 HydrophobicContact CB-CD1 3.93Å; A331-I333 HydrophobicContact CB-CG1 4.46Å; I333-N337 HydrophobicContact CG2-CB 3.8Å; I333-I338 HydrophobicContact CB-CD1 3.92Å; I333-I338 HydrophobicContact CG2-CD1 3.62Å; I333-I338 HydrophobicContact CG2-CG1 4.18Å
334P97.1Very high94.8Very high51 Ų5166 Ų6633%0.33133%0.326SS..EExtended strand (participates in β ladder)trans-56.1141.3176.7-25.734.8000111.8N317 E336 N337N317-P334 WeakPolarHBondContact O-CA 3.45Å; P334-E336 WeakPolarHBondContact CB-OE1 3.27Å; P334-E336 WeakPolarHBondContact CB-OE2 3.35Å; P334-E336 PolarHBondContact O-N 3.47Å; P334-E336 VanDerWaalsContact O-N 3.12Å; P334-N337 WeakPolarHBondContact O-CA 3.49Å; P334-N337 WeakPolarHBondContact O-CB 3.31Å; P334-N337 PolarHBondContact O-N 2.85Å
335S96.2Very high94.4Very high49 Ų4967.5 Ų67.534%0.34334%0.335SS..G310 helixtrans-57.4-30.1-172.4-69.10000113.7N317 Q318 N337 I338N317-S335 VanDerWaalsContact C-OG 3.25Å; N317-S335 PolarHBondContact O-N 2.87Å; N317-S335 PolarHBondContact O-OG 2.74Å; Q318-S335 PolarHBondContact N-OG 3.26Å; S335-N337 PolarHBondContact O-N 3.48Å; S335-I338 PolarHBondContact O-N 2.87Å
336E95.5Very high93.8Very high132 Ų13275.1 Ų75.162%0.61737%0.369SS*.G310 helixtrans-70.6-16175.474.4-76.7-179.900114.3P334P334-E336 WeakPolarHBondContact CB-OE1 3.27Å; P334-E336 WeakPolarHBondContact CB-OE2 3.35Å; P334-E336 PolarHBondContact O-N 3.47Å; P334-E336 VanDerWaalsContact O-N 3.12Å
337N96.2Very high93.7Very high39 Ų3973.5 Ų73.521%0.20936%0.362CS..G310 helixtrans-98.915176.9-70.4-71.4000112.9K300 I333 P334 S335K300-N337 HydrophobicContact CB-CB 4.21Å; K300-N337 PolarHBondContact N-O 3.44Å; I333-N337 HydrophobicContact CG2-CB 3.8Å; P334-N337 WeakPolarHBondContact O-CA 3.49Å; P334-N337 WeakPolarHBondContact O-CB 3.31Å; P334-N337 PolarHBondContact O-N 2.85Å; S335-N337 PolarHBondContact O-N 3.48Å
338I97.1Very high93.4Very high25 Ų2566.7 Ų66.713%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-107.3137.2174.5-61.6-61.9000109.9V297 A299 V319 V321 I333 S335V297-I338 HydrophobicContact CB-CG2 3.97Å; V297-I338 HydrophobicContact CG1-CG2 3.73Å; V297-I338 HydrophobicContact CG2-CD1 4.32Å; A299-I338 HydrophobicContact CB-CD1 3.59Å; V319-I338 HydrophobicContact CB-CD1 4.19Å; V319-I338 HydrophobicContact CB-CG1 4.07Å; V319-I338 HydrophobicContact CG2-CG1 3.95Å; V321-I338 HydrophobicContact CG1-CD1 4.22Å; I333-I338 HydrophobicContact CB-CD1 3.92Å; I333-I338 HydrophobicContact CG2-CD1 3.62Å; I333-I338 HydrophobicContact CG2-CG1 4.18Å; S335-I338 PolarHBondContact O-N 2.87Å
339Q96.6Very high92.6Very high73 Ų7372.8 Ų72.834%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-131.2147.3174.2-63-67.6-33.600110W298 Y306 V343 L348W298-Q339 HydrophobicContact CB-CB 4.18Å; W298-Q339 PolarHBondContact N-O 3.47Å; W298-Q339 PolarHBondContact O-N 3.21Å; Y306-Q339 HydrophobicContact CD1-CG 4.43Å; Y306-Q339 HydrophobicContact CE1-CB 4.38Å; Y306-Q339 HydrophobicContact CE1-CG 3.65Å; Q339-V343 HydrophobicContact CB-CG2 4.43Å; Q339-L348 HydrophobicContact CB-CD2 4.42Å; Q339-L348 HydrophobicContact CG-CD2 4.27Å
340D96Very high92.1Very high81 Ų8169.9 Ų69.943%0.43335%0.347SS..EExtended strand (participates in β ladder)trans-60.1137.3176.2-176.1-56.1000110.1K342 V343D340-K342 PolarHBondContact O-N 3.3Å; D340-K342 VanDerWaalsContact OD1-CB 3.23Å; D340-K342 WeakPolarHBondContact OD1-CB 3.46Å; D340-K342 WeakPolarHBondContact OD1-CD 3.33Å; D340-K342 WeakPolarHBondContact OD1-CG 3.35Å; D340-K342 PolarHBondContact OD1-N 2.87Å; D340-V343 HydrophobicContact CB-CG2 4.46Å; D340-V343 WeakPolarHBondContact O-CB 3.39Å; D340-V343 VanDerWaalsContact O-CG2 3.32Å; D340-V343 WeakPolarHBondContact O-CG2 3.24Å; D340-V343 PolarHBondContact O-N 2.81Å
341I96.6Very high91.7Very high31 Ų3175.3 Ų75.316%0.15937%0.373CS..THydrogen-bonded Turntrans-56.6-23.6-177.7-158.969.3000114L296 W298 P308 V343 L363L296-I341 HydrophobicContact CB-CB 3.89Å; L296-I341 HydrophobicContact CB-CD1 4.1Å; L296-I341 HydrophobicContact CB-CG1 3.8Å; L296-I341 HydrophobicContact CB-CG2 4.02Å; L296-I341 WeakPolarHBondContact O-CB 3.4Å; W298-I341 HydrophobicContact CD2-CD1 4.26Å; W298-I341 HydrophobicContact CG-CD1 4.36Å; W298-I341 HydrophobicContact CZ2-CD1 4.41Å; W298-I341 PolarHBondContact NE1-O 3.46Å; P308-I341 HydrophobicContact CB-CD1 4.41Å; I341-V343 VanDerWaalsContact C-N 3.27Å; I341-V343 PolarHBondContact O-N 3.28Å; I341-L363 HydrophobicContact CD1-CD1 4.22Å; I341-L363 HydrophobicContact CD1-CD2 3.87Å; I341-L363 HydrophobicContact CG1-CD2 4.26Å
342K93.9Very high91.4Very high180 Ų18081.3 Ų81.378%0.78339%0.391SS*.THydrogen-bonded Turntrans-73.5-14.2178-60.9163.7-169.81560113.4D340 S344D340-K342 PolarHBondContact O-N 3.3Å; D340-K342 VanDerWaalsContact OD1-CB 3.23Å; D340-K342 WeakPolarHBondContact OD1-CB 3.46Å; D340-K342 WeakPolarHBondContact OD1-CD 3.33Å; D340-K342 WeakPolarHBondContact OD1-CG 3.35Å; D340-K342 PolarHBondContact OD1-N 2.87Å; K342-S344 PolarHBondContact O-N 2.77Å
343V93.8Very high91.1Very high37 Ų3779.2 Ų79.222%0.22439%0.391CS..SBendtrans-60.8132.6176.11750000109.4W298 Q339 D340 I341 V345 Q347 L348W298-V343 PolarHBondContact NE1-O 2.69Å; Q339-V343 HydrophobicContact CB-CG2 4.43Å; D340-V343 HydrophobicContact CB-CG2 4.46Å; D340-V343 WeakPolarHBondContact O-CB 3.39Å; D340-V343 VanDerWaalsContact O-CG2 3.32Å; D340-V343 WeakPolarHBondContact O-CG2 3.24Å; D340-V343 PolarHBondContact O-N 2.81Å; I341-V343 VanDerWaalsContact C-N 3.27Å; I341-V343 PolarHBondContact O-N 3.28Å; V343-V345 PolarHBondContact O-N 2.77Å; V343-Q347 HydrophobicContact CG1-CB 4.29Å; V343-L348 HydrophobicContact CG1-CD2 3.77Å; V343-L348 HydrophobicContact CG1-CG 4.09Å
344S88.9Confident91Very high47 Ų4784.6 Ų84.633%0.32942%0.42SS..  trans-64.8131.7-178.5175.40000110.7K342 Q346 Q347K342-S344 PolarHBondContact O-N 2.77Å; S344-Q346 PolarHBondContact O-N 3.11Å; S344-Q346 PolarHBondContact OG-N 2.82Å; S344-Q347 WeakPolarHBondContact O-CB 3.37Å; S344-Q347 PolarHBondContact O-N 3.1Å
345V87.4Confident90.8Very high36 Ų3683.9 Ų83.922%0.21842%0.422CS..THydrogen-bonded Turntrans-50.3-28.1172.8173.70000112.7W298 V343 Q347 L348 V350 W356W298-V345 HydrophobicContact CH2-CG2 3.79Å; W298-V345 HydrophobicContact CZ2-CG2 3.67Å; V343-V345 PolarHBondContact O-N 2.77Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 3.16Å; V345-L348 PolarHBondContact O-N 3.17Å; V345-V350 HydrophobicContact CG1-CG2 3.84Å; V345-W356 HydrophobicContact CB-CH2 4.44Å; V345-W356 HydrophobicContact CG1-CH2 3.4Å; V345-W356 HydrophobicContact CG1-CZ2 3.77Å; V345-W356 HydrophobicContact CG1-CZ3 4.43Å; V345-W356 HydrophobicContact CG2-CH2 4.11Å; V345-W356 HydrophobicContact CG2-CZ2 4.34Å
346Q83.3Confident90.8Very high167 Ų16782.2 Ų82.278%0.7841%0.408SS*.THydrogen-bonded Turntrans-69-26.3177.3-65.5168.4-22.400113.3S344S344-Q346 PolarHBondContact O-N 3.11Å; S344-Q346 PolarHBondContact OG-N 2.82Å
347Q85.6Confident90.8Very high148 Ų14880.4 Ų80.469%0.69240%0.398SS*.THydrogen-bonded Turntrans-85.8-15.4177.2-63.1168.3-19.100111.8V343 S344 V345V343-Q347 HydrophobicContact CG1-CB 4.29Å; S344-Q347 WeakPolarHBondContact O-CB 3.37Å; S344-Q347 PolarHBondContact O-N 3.1Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 PolarHBondContact O-N 3.16Å
348L84.4Confident90.8Very high14 Ų1485.1 Ų85.17%0.07342%0.416CS..SBendtrans-90.7134.2179.7-57.6176000110.7W298 Y306 Q339 V343 V345 V350W298-L348 HydrophobicContact CB-CD1 3.94Å; W298-L348 HydrophobicContact CD2-CD1 3.47Å; W298-L348 VanDerWaalsContact CD2-CD1 3.47Å; W298-L348 HydrophobicContact CE3-CD1 4Å; W298-L348 HydrophobicContact CG-CD1 3.4Å; W298-L348 VanDerWaalsContact CG-CD1 3.4Å; Y306-L348 HydrophobicContact CD1-CD2 4.47Å; Y306-L348 HydrophobicContact CD2-CB 4.1Å; Y306-L348 HydrophobicContact CD2-CD2 3.96Å; Y306-L348 HydrophobicContact CE2-CD2 4.2Å; Y306-L348 HydrophobicContact CG-CB 4.43Å; Y306-L348 HydrophobicContact CG-CD2 4.09Å; Q339-L348 HydrophobicContact CB-CD2 4.42Å; Q339-L348 HydrophobicContact CG-CD2 4.27Å; V343-L348 HydrophobicContact CG1-CD2 3.77Å; V343-L348 HydrophobicContact CG1-CG 4.09Å; V345-L348 PolarHBondContact O-N 3.17Å; L348-V350 VanDerWaalsContact C-N 3.27Å; L348-V350 HydrophobicContact CB-CG1 3.84Å; L348-V350 PolarHBondContact O-N 3.38Å
349Q77.1Confident90.8Very high153 Ų15383.9 Ų83.972%0.71541%0.41SS*.  trans-73.777.4174.8-67.1176.5-15.700110.6G305G305-Q349 WeakPolarHBondContact CA-O 3.4Å
350V84.7Confident90.8Very high27 Ų2781 Ų8116%0.16440%0.398CS..  trans-112.1128.7-174.3-65.70000114Y306 V345 L348 R352 W356Y306-V350 WeakPolarHBondContact O-CG1 3.3Å; V345-V350 HydrophobicContact CG1-CG2 3.84Å; L348-V350 VanDerWaalsContact C-N 3.27Å; L348-V350 HydrophobicContact CB-CG1 3.84Å; L348-V350 PolarHBondContact O-N 3.38Å; V350-R352 HydrophobicContact CG2-CG 4.27Å; V350-R352 PolarHBondContact O-N 3.18Å; V350-W356 HydrophobicContact CB-CZ2 4.19Å; V350-W356 HydrophobicContact CG1-CZ2 4.24Å; V350-W356 HydrophobicContact CG2-CH2 4.47Å; V350-W356 HydrophobicContact CG2-CZ2 3.95Å
351K85.5Confident90.8Very high180 Ų18082.3 Ų82.378%0.78340%0.401SS*.  trans-80.6103.2167.3-173.9176.1-177.41780108.5S353K351-S353 PolarHBondContact O-N 2.96Å
352R88.3Confident90.9Very high142 Ų14282.4 Ų82.454%0.53640%0.401SS..  trans-71.956.7-176.2-61.9-175.1178.6-164.4-1.3113.9V350 W356V350-R352 HydrophobicContact CG2-CG 4.27Å; V350-R352 PolarHBondContact O-N 3.18Å; R352-W356 HydrophobicContact CB-CE3 4.27Å; R352-W356 HydrophobicContact CG-CE3 4.16Å; R352-W356 HydrophobicContact CG-CZ3 4.13Å
353S92.2Very high91.1Very high48 Ų4874.2 Ų74.234%0.33637%0.366SS..  trans-64.2163173.974.50000111.4K351 G355 W356 K357K351-S353 PolarHBondContact O-N 2.96Å; S353-G355 PolarHBondContact O-N 2.82Å; S353-W356 PolarHBondContact O-N 3.38Å; S353-W356 VanDerWaalsContact O-N 3.13Å; S353-W356 WeakPolarHBondContact OG-CB 3.32Å; S353-W356 PolarHBondContact OG-N 3.32Å; S353-W356 VanDerWaalsContact OG-N 3.13Å; S353-K357 WeakPolarHBondContact O-CG 3.48Å; S353-K357 PolarHBondContact O-N 2.94Å
354N93.8Very high91.2Very high116 Ų11678.3 Ų78.362%0.6238%0.383SS*.Hα-helixtrans-64.1-30.8176.5-68.6-15.5000112.4K358N354-K358 WeakPolarHBondContact O-CG 3.47Å; N354-K358 PolarHBondContact O-N 3.05Å
355G94.6Very high91.7Very high36 Ų3677.8 Ų77.837%0.37138%0.377SS..Hα-helixtrans-66.1-40.2171.700000112.6S353 K358 A359S353-G355 PolarHBondContact O-N 2.82Å; G355-K358 PolarHBondContact O-N 2.86Å; G355-A359 PolarHBondContact O-N 2.69Å
356W95Very high92.2Very high15 Ų1576 Ų766%0.05737%0.367CS..Hα-helixtrans-66.8-40.2177.7-177.393.8000112W298 Y306 W307 V345 V350 R352 S353 A359 C360W298-W356 HydrophobicContact CH2-CZ2 4.03Å; W298-W356 AromaticContact CZ3-CZ2 3.83Å; W298-W356 HydrophobicContact CZ3-CZ2 3.83Å; Y306-W356 PolarHBondContact O-NE1 3.18Å; W307-W356 AromaticContact CD2-CD1 3.75Å; W307-W356 AromaticContact CE2-CD1 3.81Å; W307-W356 HydrophobicContact CH2-CB 3.85Å; W307-W356 VanDerWaalsContact CH2-N 3.31Å; W307-W356 HydrophobicContact CZ2-CB 3.93Å; W307-W356 HydrophobicContact CZ3-CB 4.15Å; V345-W356 HydrophobicContact CB-CH2 4.44Å; V345-W356 HydrophobicContact CG1-CH2 3.4Å; V345-W356 HydrophobicContact CG1-CZ2 3.77Å; V345-W356 HydrophobicContact CG1-CZ3 4.43Å; V345-W356 HydrophobicContact CG2-CH2 4.11Å; V345-W356 HydrophobicContact CG2-CZ2 4.34Å; V350-W356 HydrophobicContact CB-CZ2 4.19Å; V350-W356 HydrophobicContact CG1-CZ2 4.24Å; V350-W356 HydrophobicContact CG2-CH2 4.47Å; V350-W356 HydrophobicContact CG2-CZ2 3.95Å; R352-W356 HydrophobicContact CB-CE3 4.27Å; R352-W356 HydrophobicContact CG-CE3 4.16Å; R352-W356 HydrophobicContact CG-CZ3 4.13Å; S353-W356 PolarHBondContact O-N 3.38Å; S353-W356 VanDerWaalsContact O-N 3.13Å; S353-W356 WeakPolarHBondContact OG-CB 3.32Å; S353-W356 PolarHBondContact OG-N 3.32Å; S353-W356 VanDerWaalsContact OG-N 3.13Å; W356-A359 WeakPolarHBondContact O-CB 3.12Å; W356-A359 PolarHBondContact O-N 3.13Å; W356-C360 WeakPolarHBondContact CH2-SG 3.29Å; W356-C360 WeakPolarHBondContact CZ2-SG 3.25Å; W356-C360 PolarHBondContact O-N 2.79Å; W356-C360 VanDerWaalsContact O-N 3.13Å; W356-C360 PolarHBondContact O-SG 3.26Å
357K95.3Very high92.8Very high93 Ų9370.6 Ų70.640%0.40434%0.342SS..Hα-helixtrans-59.9-49.5173.8-67.7173.9-172.1169.40111.5S353 A359 C360 E361S353-K357 WeakPolarHBondContact O-CG 3.48Å; S353-K357 PolarHBondContact O-N 2.94Å; K357-A359 VanDerWaalsContact C-N 3.28Å; K357-A359 PolarHBondContact O-N 3.04Å; K357-C360 WeakPolarHBondContact O-CA 3.27Å; K357-C360 WeakPolarHBondContact O-CB 3.31Å; K357-C360 PolarHBondContact O-N 2.84Å; K357-E361 WeakPolarHBondContact O-CG 3.26Å; K357-E361 PolarHBondContact O-N 3.15Å
358K96.9Very high93.4Very high138 Ų13868.9 Ų68.960%0.633%0.329SS*.Hα-helixtrans-59.1-35.6176.1-73.2-175.8175.9-168.70113.4N354 G355 C360 E361 E362N354-K358 WeakPolarHBondContact O-CG 3.47Å; N354-K358 PolarHBondContact O-N 3.05Å; G355-K358 PolarHBondContact O-N 2.86Å; K358-C360 VanDerWaalsContact C-N 3.32Å; K358-E361 PolarHBondContact O-N 3.09Å; K358-E362 WeakPolarHBondContact O-CB 3.37Å; K358-E362 PolarHBondContact O-N 3.15Å
359A97.1Very high94Very high0 Ų068.5 Ų68.50%033%0.327CS..Hα-helixtrans-66.1-34173.800000112.6W307 P308 F324 G355 W356 K357 L363W307-A359 HydrophobicContact CE3-CB 3.83Å; W307-A359 HydrophobicContact CZ3-CB 3.87Å; P308-A359 HydrophobicContact CG-CB 4.05Å; F324-A359 HydrophobicContact CB-CB 4.06Å; F324-A359 WeakPolarHBondContact CB-O 3.38Å; F324-A359 WeakPolarHBondContact O-CB 3.37Å; G355-A359 PolarHBondContact O-N 2.69Å; W356-A359 WeakPolarHBondContact O-CB 3.12Å; W356-A359 PolarHBondContact O-N 3.13Å; K357-A359 VanDerWaalsContact C-N 3.28Å; K357-A359 PolarHBondContact O-N 3.04Å; A359-L363 WeakPolarHBondContact O-CB 3.08Å; A359-L363 PolarHBondContact O-N 3.18Å
360C96.4Very high94.9Very high13 Ų1364.4 Ų64.49%0.08831%0.309CS..Hα-helixtrans-74.6-40.4174.6-59.60000111.9W356 K357 K358 E362 L363 E364W356-C360 WeakPolarHBondContact CH2-SG 3.29Å; W356-C360 WeakPolarHBondContact CZ2-SG 3.25Å; W356-C360 PolarHBondContact O-N 2.79Å; W356-C360 VanDerWaalsContact O-N 3.13Å; W356-C360 PolarHBondContact O-SG 3.26Å; K357-C360 WeakPolarHBondContact O-CA 3.27Å; K357-C360 WeakPolarHBondContact O-CB 3.31Å; K357-C360 PolarHBondContact O-N 2.84Å; K358-C360 VanDerWaalsContact C-N 3.32Å; C360-E362 VanDerWaalsContact C-N 3.32Å; C360-E362 PolarHBondContact O-N 3.14Å; C360-L363 WeakPolarHBondContact O-CB 3.26Å; C360-L363 PolarHBondContact O-N 2.89Å; C360-E364 WeakPolarHBondContact O-CG 3.4Å; C360-E364 PolarHBondContact O-N 3.22Å
361E97.1Very high95.4Very high107 Ų10771.8 Ų71.850%0.533%0.334SS..Hα-helixtrans-57.9-44.1172.1-67.8157.4-159.600111K357 K358 E364 V365K357-E361 WeakPolarHBondContact O-CG 3.26Å; K357-E361 PolarHBondContact O-N 3.15Å; K358-E361 PolarHBondContact O-N 3.09Å; E361-E364 PolarHBondContact O-N 2.95Å; E361-V365 WeakPolarHBondContact O-CG2 3.36Å; E361-V365 PolarHBondContact O-N 3.17Å; E361-V365 VanDerWaalsContact O-N 3.08Å
362E98.1Very high95.9Very high33 Ų3367.7 Ų67.715%0.15432%0.318CS..Hα-helixtrans-65.2-40.4175.6-165.3-175.8-14600112.5C287 F324 G325 H328 K358 C360 V365 Y366C287-E362 VanDerWaalsContact SG-CG 3.55Å; F324-E362 HydrophobicContact CD1-CB 4.11Å; F324-E362 HydrophobicContact CD1-CG 3.89Å; G325-E362 PolarHBondContact N-OE2 3.22Å; H328-E362 IonicContact CD2-OE1 2.89Å; H328-E362 IonicContact CD2-OE2 2.66Å; H328-E362 IonicContact CE1-OE1 3.01Å; H328-E362 PolarHBondContact CE1-OE1 2.8Å; H328-E362 VanDerWaalsContact NE2-CD 3.33Å; H328-E362 IonicContact NE2-OE1 2.68Å; H328-E362 PolarHBondContact NE2-OE1 2.99Å; H328-E362 IonicContact NE2-OE2 3.61Å; H328-E362 PolarHBondContact NE2-OE2 3.37Å; H328-E362 VanDerWaalsContact NE2-OE2 3.08Å; K358-E362 WeakPolarHBondContact O-CB 3.37Å; K358-E362 PolarHBondContact O-N 3.15Å; C360-E362 VanDerWaalsContact C-N 3.32Å; C360-E362 PolarHBondContact O-N 3.14Å; E362-V365 PolarHBondContact O-N 3.49Å; E362-Y366 PolarHBondContact O-N 2.8Å
363L97.6Very high96.1Very high9 Ų962.9 Ų62.95%0.04731%0.312CS..Hα-helixtrans-59.6-44.9172.5172.675.7000111.8L296 P308 F324 I341 A359 C360 V365 Y366 Q367L296-L363 HydrophobicContact CD1-CD1 3.91Å; L296-L363 HydrophobicContact CD2-CD1 4.06Å; L296-L363 HydrophobicContact CG-CD1 4.43Å; P308-L363 HydrophobicContact CB-CB 4.4Å; P308-L363 HydrophobicContact CB-CD1 4.43Å; P308-L363 HydrophobicContact CB-CD2 3.8Å; P308-L363 HydrophobicContact CB-CG 4.43Å; P308-L363 HydrophobicContact CG-CD2 4.49Å; F324-L363 HydrophobicContact CD1-CB 4.3Å; F324-L363 HydrophobicContact CD2-CB 4.45Å; F324-L363 HydrophobicContact CD2-CD1 4.18Å; F324-L363 HydrophobicContact CE1-CB 4.42Å; F324-L363 HydrophobicContact CE1-CD1 4.46Å; F324-L363 HydrophobicContact CE2-CD1 3.65Å; F324-L363 HydrophobicContact CG-CB 4.32Å; F324-L363 HydrophobicContact CZ-CD1 3.8Å; I341-L363 HydrophobicContact CD1-CD1 4.22Å; I341-L363 HydrophobicContact CD1-CD2 3.87Å; I341-L363 HydrophobicContact CG1-CD2 4.26Å; A359-L363 WeakPolarHBondContact O-CB 3.08Å; A359-L363 PolarHBondContact O-N 3.18Å; C360-L363 WeakPolarHBondContact O-CB 3.26Å; C360-L363 PolarHBondContact O-N 2.89Å; L363-V365 VanDerWaalsContact C-N 3.32Å; L363-V365 PolarHBondContact O-N 2.93Å; L363-Y366 WeakPolarHBondContact O-CB 3.29Å; L363-Y366 PolarHBondContact O-N 2.95Å; L363-Q367 HydrophobicContact CD1-CG 4.42Å; L363-Q367 HydrophobicContact CG-CG 4.48Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.5Å
364E97.1Very high96.2Very high123 Ų12366.1 Ų66.158%0.57532%0.317SS*.Hα-helixtrans-62.8-39.4178.5-74.7174.3-162.900111.5C360 E361 Q367 R368C360-E364 WeakPolarHBondContact O-CG 3.4Å; C360-E364 PolarHBondContact O-N 3.22Å; E361-E364 PolarHBondContact O-N 2.95Å; E364-Q367 PolarHBondContact O-N 3.46Å; E364-R368 WeakPolarHBondContact O-CB 3.45Å; E364-R368 PolarHBondContact O-N 3.35Å
365V97.6Very high96.2Very high35 Ų3565.2 Ų65.221%0.21231%0.307CS..Hα-helixtrans-65.2-41.9173.2176.90000111.4C287 E361 E362 L363 R368 F369C287-V365 HydrophobicContact CB-CB 4.49Å; C287-V365 HydrophobicContact CB-CG1 3.83Å; E361-V365 WeakPolarHBondContact O-CG2 3.36Å; E361-V365 PolarHBondContact O-N 3.17Å; E361-V365 VanDerWaalsContact O-N 3.08Å; E362-V365 PolarHBondContact O-N 3.49Å; L363-V365 VanDerWaalsContact C-N 3.32Å; L363-V365 PolarHBondContact O-N 2.93Å; V365-R368 PolarHBondContact O-N 3.05Å; V365-F369 HydrophobicContact CG1-CD1 4.39Å; V365-F369 HydrophobicContact CG1-CE1 4.04Å; V365-F369 HydrophobicContact CG1-CE2 4.35Å; V365-F369 HydrophobicContact CG1-CZ 4.01Å; V365-F369 PolarHBondContact O-N 3.23Å
366Y97.7Very high96.1Very high0 Ų067.2 Ų67.20%030%0.304CS..Hα-helixtrans-59.3-48.9172.8175.4-89.8000111.9C287 L296 K310 F324 E362 L363 R368 F369 L370C287-Y366 WeakPolarHBondContact O-CA 3.25Å; C287-Y366 WeakPolarHBondContact O-CD2 3.3Å; L296-Y366 HydrophobicContact CD1-CD1 3.88Å; L296-Y366 HydrophobicContact CD1-CE1 3.82Å; L296-Y366 HydrophobicContact CD2-CD1 3.9Å; L296-Y366 HydrophobicContact CD2-CE1 3.66Å; L296-Y366 HydrophobicContact CG-CD1 4.42Å; L296-Y366 HydrophobicContact CG-CE1 4.05Å; K310-Y366 HydrophobicContact CD-CE2 4.39Å; K310-Y366 VanDerWaalsContact CE-CE2 3.4Å; K310-Y366 VanDerWaalsContact NZ-CE2 3.27Å; F324-Y366 HydrophobicContact CE1-CG 4.11Å; F324-Y366 HydrophobicContact CZ-CD1 4.21Å; F324-Y366 HydrophobicContact CZ-CD2 4.47Å; F324-Y366 AromaticContact CZ-CG 3.97Å; F324-Y366 HydrophobicContact CZ-CG 3.97Å; E362-Y366 PolarHBondContact O-N 2.8Å; L363-Y366 WeakPolarHBondContact O-CB 3.29Å; L363-Y366 PolarHBondContact O-N 2.95Å; Y366-R368 VanDerWaalsContact C-N 3.27Å; Y366-R368 PolarHBondContact O-N 2.66Å; Y366-F369 PolarHBondContact O-N 3.27Å; Y366-L370 HydrophobicContact CE1-CD2 4.23Å; Y366-L370 WeakPolarHBondContact O-CB 3.3Å; Y366-L370 PolarHBondContact O-N 2.66Å
367Q97.1Very high95.6Very high53 Ų5373 Ų7325%0.24833%0.329CS..Hα-helixtrans-62.9-34.9178.6-71.3179.60.900112L296 L363 E364 R371L296-Q367 HydrophobicContact CD1-CG 3.81Å; L363-Q367 HydrophobicContact CD1-CG 4.42Å; L363-Q367 HydrophobicContact CG-CG 4.48Å; L363-Q367 WeakPolarHBondContact O-CG 3.44Å; L363-Q367 PolarHBondContact O-N 3.5Å; E364-Q367 PolarHBondContact O-N 3.46Å; Q367-R371 WeakPolarHBondContact O-CG 3.25Å; Q367-R371 PolarHBondContact O-N 2.79Å
368R97.4Very high94.1Very high111 Ų11170 Ų7042%0.41932%0.319SS..Hα-helixtrans-63.6-50.5171.3178.5-178.764.6176.7-0.6111.1E364 V365 Y366 L370 R371 E372E364-R368 WeakPolarHBondContact O-CB 3.45Å; E364-R368 PolarHBondContact O-N 3.35Å; V365-R368 PolarHBondContact O-N 3.05Å; Y366-R368 VanDerWaalsContact C-N 3.27Å; Y366-R368 PolarHBondContact O-N 2.66Å; R368-L370 VanDerWaalsContact C-N 3.25Å; R368-L370 PolarHBondContact O-N 3.37Å; R368-R371 PolarHBondContact O-N 3.4Å; R368-R371 VanDerWaalsContact O-N 3.13Å; R368-E372 VanDerWaalsContact CD-OE1 3.29Å; R368-E372 WeakPolarHBondContact CD-OE1 3.37Å; R368-E372 HydrophobicContact CG-CG 4.28Å; R368-E372 WeakPolarHBondContact CG-OE1 3.4Å; R368-E372 IonicContact NE-OE1 2.77Å; R368-E372 WeakPolarHBondContact O-CB 3.28Å; R368-E372 WeakPolarHBondContact O-CG 3.45Å; R368-E372 PolarHBondContact O-N 3.07Å
369F97.2Very high92.1Very high7 Ų773.9 Ų73.93%0.03134%0.336CS..Hα-helixtrans-61.3-35.1178.6-74.25.8000112.2N284 C287 Y288 P289 V365 Y366 E372 G373 R374N284-F369 HydrophobicContact CB-CE2 4.4Å; C287-F369 HydrophobicContact CB-CD2 3.82Å; C287-F369 HydrophobicContact CB-CE2 3.9Å; C287-F369 WeakPolarHBondContact O-CD2 3.41Å; Y288-F369 HydrophobicContact CD1-CD2 4.11Å; Y288-F369 HydrophobicContact CD1-CE2 4.29Å; Y288-F369 HydrophobicContact CE1-CD2 4.2Å; Y288-F369 AromaticContact CE1-CE2 3.95Å; Y288-F369 HydrophobicContact CE1-CE2 3.95Å; Y288-F369 HydrophobicContact CE2-CE2 4.43Å; Y288-F369 HydrophobicContact CG-CD2 4.49Å; P289-F369 HydrophobicContact CG-CB 4.31Å; V365-F369 HydrophobicContact CG1-CD1 4.39Å; V365-F369 HydrophobicContact CG1-CE1 4.04Å; V365-F369 HydrophobicContact CG1-CE2 4.35Å; V365-F369 HydrophobicContact CG1-CZ 4.01Å; V365-F369 PolarHBondContact O-N 3.23Å; Y366-F369 PolarHBondContact O-N 3.27Å; F369-E372 PolarHBondContact O-N 3.31Å; F369-G373 PolarHBondContact O-N 3.23Å; F369-G373 VanDerWaalsContact O-N 3.08Å; F369-R374 HydrophobicContact CB-CB 4.08Å; F369-R374 HydrophobicContact CD1-CB 4.37Å; F369-R374 HydrophobicContact CG-CB 4.16Å; F369-R374 HydrophobicContact CG-CG 4.48Å; F369-R374 PolarHBondContact O-N 3.07Å
370L95.4Very high89.7Confident66 Ų6682 Ų8235%0.34638%0.376SS..Hα-helixtrans-63.8-43.5173.4-171.268.1000112.2P289 Y366 R368 G373P289-L370 HydrophobicContact CB-CD1 3.83Å; P289-L370 HydrophobicContact CG-CB 4.11Å; P289-L370 HydrophobicContact CG-CD1 3.98Å; Y366-L370 HydrophobicContact CE1-CD2 4.23Å; Y366-L370 WeakPolarHBondContact O-CB 3.3Å; Y366-L370 PolarHBondContact O-N 2.66Å; R368-L370 VanDerWaalsContact C-N 3.25Å; R368-L370 PolarHBondContact O-N 3.37Å; L370-G373 PolarHBondContact O-N 2.94Å
371R96.3Very high87.2Confident182 Ų18288.7 Ų88.769%0.68741%0.406SS*.Hα-helixtrans-68-35.5174.7-72.2-174.4-62-96.32113.3Q367 R368 G373Q367-R371 WeakPolarHBondContact O-CG 3.25Å; Q367-R371 PolarHBondContact O-N 2.79Å; R368-R371 PolarHBondContact O-N 3.4Å; R368-R371 VanDerWaalsContact O-N 3.13Å; R371-G373 VanDerWaalsContact C-N 3.28Å; R371-G373 PolarHBondContact O-N 3.35Å
372E96.1Very high84.4Confident95 Ų9588.6 Ų88.644%0.44441%0.409SS..Hα-helixtrans-76.8-10.3177.7-72175.4-168.900113.5R368 F369 R374R368-E372 VanDerWaalsContact CD-OE1 3.29Å; R368-E372 WeakPolarHBondContact CD-OE1 3.37Å; R368-E372 HydrophobicContact CG-CG 4.28Å; R368-E372 WeakPolarHBondContact CG-OE1 3.4Å; R368-E372 IonicContact NE-OE1 2.77Å; R368-E372 WeakPolarHBondContact O-CB 3.28Å; R368-E372 WeakPolarHBondContact O-CG 3.45Å; R368-E372 PolarHBondContact O-N 3.07Å; F369-E372 PolarHBondContact O-N 3.31Å; E372-R374 HydrophobicContact CB-CB 4.21Å; E372-R374 PolarHBondContact O-N 2.84Å; E372-R374 IonicContact OE1-NH2 2.81Å; E372-R374 IonicContact OE2-CZ 3.16Å; E372-R374 IonicContact OE2-NE 2.83Å; E372-R374 PolarHBondContact OE2-NE 3.07Å; E372-R374 IonicContact OE2-NH2 2.68Å; E372-R374 PolarHBondContact OE2-NH2 3.43Å
373G92.8Very high80.9Confident40 Ų4092.6 Ų92.641%0.41244%0.44SS..THydrogen-bonded Turntrans63.727-17000000113F369 L370 R371 F375F369-G373 PolarHBondContact O-N 3.23Å; F369-G373 VanDerWaalsContact O-N 3.08Å; L370-G373 PolarHBondContact O-N 2.94Å; R371-G373 VanDerWaalsContact C-N 3.28Å; R371-G373 PolarHBondContact O-N 3.35Å; G373-F375 VanDerWaalsContact C-N 3.35Å; G373-F375 WeakPolarHBondContact O-CD2 3.49Å; G373-F375 PolarHBondContact O-N 3.16Å
374R94.3Very high78Confident117 Ų11797.7 Ų97.744%0.44247%0.474SS..  trans-82.176.5-175.5-167.6-167.5-63.5-134.7-0.3111.1Y288 P289 F369 E372Y288-R374 WeakPolarHBondContact CD1-O 3.29Å; Y288-R374 HydrophobicContact CE1-CG 4.48Å; P289-R374 VanDerWaalsContact CD-O 3.29Å; P289-R374 WeakPolarHBondContact CD-O 3.33Å; F369-R374 HydrophobicContact CB-CB 4.08Å; F369-R374 HydrophobicContact CD1-CB 4.37Å; F369-R374 HydrophobicContact CG-CB 4.16Å; F369-R374 HydrophobicContact CG-CG 4.48Å; F369-R374 PolarHBondContact O-N 3.07Å; E372-R374 HydrophobicContact CB-CB 4.21Å; E372-R374 PolarHBondContact O-N 2.84Å; E372-R374 IonicContact OE1-NH2 2.81Å; E372-R374 IonicContact OE2-CZ 3.16Å; E372-R374 IonicContact OE2-NE 2.83Å; E372-R374 PolarHBondContact OE2-NE 3.07Å; E372-R374 IonicContact OE2-NH2 2.68Å; E372-R374 PolarHBondContact OE2-NH2 3.43Å
375F93.6Very high75Confident96 Ų9696.4 Ų96.442%0.42148%0.484SS..  trans-75.1153.9173.8-63.7-85.5000112.2P289 T291 G373 K377P289-F375 HydrophobicContact CB-CD1 3.94Å; P289-F375 HydrophobicContact CB-CE1 3.69Å; P289-F375 HydrophobicContact CB-CZ 4.39Å; T291-F375 WeakPolarHBondContact OG1-CE1 3.5Å; G373-F375 VanDerWaalsContact C-N 3.35Å; G373-F375 WeakPolarHBondContact O-CD2 3.49Å; G373-F375 PolarHBondContact O-N 3.16Å; F375-K377 PolarHBondContact O-N 2.89Å
376W92.4Very high71.9Confident78 Ų78100 Ų10030%0.29551%0.509SS..  trans-73.6108.5170.6177.2-97000110.4Y276 L277 P282 Y288Y276-W376 AromaticContact CD1-NE1 3.76Å; Y276-W376 AromaticContact CE1-CE2 3.97Å; Y276-W376 HydrophobicContact CE1-CZ2 4.34Å; Y276-W376 AromaticContact CE1-NE1 3.26Å; Y276-W376 VanDerWaalsContact CE1-NE1 3.26Å; L277-W376 HydrophobicContact CD1-CB 4.49Å; L277-W376 HydrophobicContact CD2-CB 4.06Å; L277-W376 HydrophobicContact CD2-CD2 3.88Å; L277-W376 HydrophobicContact CD2-CE3 4.34Å; L277-W376 HydrophobicContact CD2-CG 3.71Å; P282-W376 HydrophobicContact CB-CE3 4.41Å; P282-W376 HydrophobicContact CB-CH2 3.47Å; P282-W376 VanDerWaalsContact CB-CH2 3.47Å; P282-W376 HydrophobicContact CB-CZ2 4.26Å; P282-W376 HydrophobicContact CB-CZ3 3.57Å; P282-W376 HydrophobicContact CG-CD2 4.48Å; P282-W376 HydrophobicContact CG-CE3 4.1Å; P282-W376 HydrophobicContact CG-CH2 3.75Å; P282-W376 HydrophobicContact CG-CZ2 4.14Å; P282-W376 HydrophobicContact CG-CZ3 3.72Å; Y288-W376 HydrophobicContact CD1-CB 3.94Å; Y288-W376 HydrophobicContact CD1-CE3 4.41Å; Y288-W376 HydrophobicContact CD2-CB 4.46Å; Y288-W376 HydrophobicContact CD2-CE3 4.09Å; Y288-W376 HydrophobicContact CE1-CE3 4.05Å; Y288-W376 AromaticContact CE2-CE3 3.71Å; Y288-W376 HydrophobicContact CE2-CE3 3.71Å; Y288-W376 HydrophobicContact CE2-CZ3 4.17Å; Y288-W376 HydrophobicContact CG-CB 3.88Å; Y288-W376 HydrophobicContact CG-CE3 4.44Å; Y288-W376 AromaticContact CZ-CE3 3.69Å
377K83.5Confident69.2Low136 Ų136108.2 Ų108.259%0.59155%0.547SS*.  trans-84.9120.2169-71.5-168.7170.2-1670110.1F375 D382F375-K377 PolarHBondContact O-N 2.89Å; K377-D382 IonicContact NZ-OD2 2.7Å; K377-D382 PolarHBondContact NZ-OD2 3.33Å
378T64.4Low66.2Low30 Ų30114.1 Ų114.118%0.18457%0.574CS.*  trans-74.4143.7160.442.40000110.2Y276 M380Y276-T378 HydrophobicContact CE1-CG2 3.92Å; Y276-T378 HydrophobicContact CE2-CG2 4.45Å; T378-M380 PolarHBondContact O-N 2.94Å
379K54.3Low63.5Low220 Ų220117 Ų11796%0.95759%0.592SS**THydrogen-bonded Turntrans-65.229.4-174.8-66.6-171.5173.6-175.10115.9
380M47.4Very low60.8Low172 Ų172123.7 Ų123.785%0.84763%0.629SS**THydrogen-bonded Turntrans-121.7-6.8-179.2-77.7179.6159.100114.1T378T378-M380 PolarHBondContact O-N 2.94Å
381E43.8Very low57.9Low152 Ų152128.3 Ų128.371%0.7165%0.648SS**SBendtrans-1032-175.3-70.7-174129.400115.3
382D37.6Very low55.1Low106 Ų106126.5 Ų126.557%0.56765%0.652SS**  trans-133.693.4172.6-83.4-57.9000111.3K377K377-D382 IonicContact NZ-OD2 2.7Å; K377-D382 PolarHBondContact NZ-OD2 3.33Å
383S25.3Very low52.3Low116 Ų116129.9 Ų129.981%0.81167%0.668SS**  trans-160.481.4161.8-89.60000111.6A385S383-A385 PolarHBondContact O-N 2.89Å
384P36.5Very low49.8Very low117 Ų117138.2 Ų138.276%0.7669%0.687SS**PPolyproline II helixtrans-67.8118.3147.9215.9000106.9P386P384-P386 VanDerWaalsContact O-CD 3.29Å; P384-P386 WeakPolarHBondContact O-CD 3.47Å
385A35.1Very low46.9Very low95 Ų95139.9 Ų139.979%0.78570%0.697SS**PPolyproline II helixtrans-65.1124.7-171.900000112.8S383S383-A385 PolarHBondContact O-N 2.89Å
386P31.4Very low44.2Very low112 Ų112141.6 Ų141.673%0.72771%0.707SS**PPolyproline II helixtrans-86.3139.8157.133-26.6000109.7P384 Q388P384-P386 VanDerWaalsContact O-CD 3.29Å; P384-P386 WeakPolarHBondContact O-CD 3.47Å; P386-Q388 PolarHBondContact O-N 3.49Å
387H42.2Very low41.6Very low172 Ų172144.5 Ų144.580%0.79672%0.724SS**PPolyproline II helixtrans-56.1128.7176.3-79.20.6000112.6
388Q33.2Very low39.4Very low177 Ų177144 Ų14483%0.82772%0.723SS**  trans-132.476.4152.5-73.3-167.1-0.500110.2P386 N390P386-Q388 PolarHBondContact O-N 3.49Å; Q388-N390 PolarHBondContact O-N 2.89Å; Q388-N390 VanDerWaalsContact O-N 3.11Å
389Q40.3Very low38Very low170 Ų170147.7 Ų147.779%0.79474%0.742SS**  trans-66.496.5154.3-71.4173.1-40.600108.1
390N40.9Very low37.1Very low149 Ų149143.4 Ų143.480%0.79773%0.725SS**SBendtrans178.632.4144.7-106.4-3.2000117.5Q388Q388-N390 PolarHBondContact O-N 2.89Å; Q388-N390 VanDerWaalsContact O-N 3.11Å
391Q35.6Very low36.7Very low163 Ų163141.9 Ų141.976%0.76272%0.716SS**SBendtrans-127.3-0.9174.3-69.6-167.9-1.900116.9Q393Q391-Q393 VanDerWaalsContact C-N 3.34Å; Q391-Q393 PolarHBondContact O-N 2.97Å
392N36.3Very low36.3Very low143 Ų143141.7 Ų141.777%0.76572%0.715SS**THydrogen-bonded Turntrans-82.1-1177.5-85.129.1000115.4
393Q37.9Very low36.3Very low167 Ų167142.4 Ų142.478%0.7872%0.719SS**THydrogen-bonded Turntrans-95.66.5178.4-76.7-176.3-17.400114.6Q391Q391-Q393 VanDerWaalsContact C-N 3.34Å; Q391-Q393 PolarHBondContact O-N 2.97Å
394R39.1Very low36.9Very low215 Ų215144 Ų14481%0.81171%0.714SS**THydrogen-bonded Turntrans-123.510.8-178.3-84.6-169.6170.7-145.4-4.2115.3
395K34.4Very low37Very low151 Ų151146 Ų14666%0.65771%0.713SS**THydrogen-bonded Turntrans-118.6-27.9171.2-82.4-164.3160.4-144.90114Q397 Q398 D399K395-Q397 PolarHBondContact O-N 3.19Å; K395-Q398 PolarHBondContact O-N 2.95Å; K395-D399 PolarHBondContact O-N 3.44Å
396Q36.3Very low37.1Very low133 Ų133149.2 Ų149.262%0.62171%0.712SS**THydrogen-bonded Turntrans-72.615.4168.8-79.7-177.1-57.700114.4
397Q38.8Very low37.4Very low139 Ų139151.5 Ų151.565%0.6571%0.713SS**THydrogen-bonded Turntrans-124.78.9173.3-74.9-170.2-43.800112.2K395K395-Q397 PolarHBondContact O-N 3.19Å
398Q35.8Very low37.1Very low125 Ų125151 Ų15158%0.58471%0.711SS**THydrogen-bonded Turntrans-118.9-32.2172.1-64.2-164.4-77.200110.4K395 E400K395-Q398 PolarHBondContact O-N 2.95Å; Q398-E400 PolarHBondContact O-N 2.99Å
399D36.3Very low37.2Very low107 Ų107150.9 Ų150.957%0.57271%0.71SS**THydrogen-bonded Turntrans-76.1-3.5172.8-49.6-16.9000112.9K395K395-D399 PolarHBondContact O-N 3.44Å
400E36Very low37.1Very low130 Ų130150.8 Ų150.861%0.60771%0.71SS**THydrogen-bonded Turntrans-105.8-11.9175-73.1-178.4173.200113.1Q398Q398-E400 PolarHBondContact O-N 2.99Å
401E38.7Very low36.8Very low141 Ų141152.3 Ų152.366%0.65971%0.712SS**THydrogen-bonded Turntrans-94.4-22175.8-72.5-178.5161.600112.3
402E35.3Very low36.9Very low147 Ų147153.7 Ų153.769%0.68772%0.719SS**Hα-helixtrans-84.9-21.7178.4-69.8-176.7168.400113.4
403D36.7Very low36.9Very low122 Ų122150 Ų15065%0.65271%0.714SS**Hα-helixtrans-81.5-21.5175.5-86-16.3000112.7
404E38.6Very low36.7Very low150 Ų150150.3 Ų150.370%0.70172%0.715SS**Hα-helixtrans-82.3-23.3177.9-72.3-170.3162.600113.2
405E38.7Very low36.4Very low159 Ų159149.3 Ų149.374%0.74372%0.72SS**Hα-helixtrans-82.3-22.4177.5-72.1-169163.500113.7
406E37Very low36.3Very low161 Ų161151.6 Ų151.675%0.75273%0.733SS**Hα-helixtrans-83.5-21.2176.3-71.4-163.8165.800113.6
407E36.4Very low36Very low160 Ų160149.9 Ų149.975%0.74874%0.742SS**Hα-helixtrans-81-22.5176.1-71.2-164.116000113.7
408E36.7Very low35.8Very low161 Ų161148.1 Ų148.175%0.75275%0.75SS**Hα-helixtrans-78.4-23.6178.6-71.8-162.6158.600114.1
409E36.3Very low35.5Very low176 Ų176147.2 Ų147.282%0.82276%0.758SS**Hα-helixtrans-80.2-14.2178.6-72.7-157.9161.400114.2
410E36.8Very low35Very low168 Ų168153.8 Ų153.879%0.78578%0.775SS**Hα-helixtrans-88-19.8178.5-68.2-155150.300114.4
411E36.3Very low34.7Very low180 Ų180158.5 Ų158.584%0.84179%0.787SS**Hα-helixtrans-81.8-24.2-179.3-79-153.714600115.3G413E411-G413 VanDerWaalsContact C-N 3.29Å; E411-G413 PolarHBondContact O-N 3.49Å
412E36.2Very low34.1Very low193 Ų193157.7 Ų157.790%0.90279%0.792SS**THydrogen-bonded Turntrans-80.7-1.7179.7-68.6-154.1149.400114.4
413G36.4Very low33.7Very low64 Ų64159.4 Ų159.466%0.6680%0.8SS**THydrogen-bonded Turntrans-87.4-21.9-171.900000117.5E411E411-G413 VanDerWaalsContact C-N 3.29Å; E411-G413 PolarHBondContact O-N 3.49Å
414E33.9Very low33.3Very low175 Ų175164.3 Ų164.382%0.81881%0.809SS**SBendtrans-103.2-4.5-161.5-69.5-146.6134.100117.4
415E32.6Very low33Very low193 Ų193162 Ų16290%0.90281%0.807SS**THydrogen-bonded Turntrans-83.1-15.8-176-72.7-144.413300116.5
416E32.8Very low32.2Very low200 Ų200161.3 Ų161.394%0.93580%0.804SS**THydrogen-bonded Turntrans-105.233.1-175.5-82.5-111.7138.500115.3
417A30.6Very low31.7Very low97 Ų97163.8 Ų163.880%0.80281%0.806SS**SBendtrans-127.710176.800000116.4
418A33.6Very low31Very low101 Ų101162 Ų16284%0.83581%0.806SS**  trans-113.328.4-17200000116
419S29.3Very low30.5Very low107 Ų107160.3 Ų160.375%0.74880%0.803SS**  trans-151.987.4174.1-158.70000116.3
420R27.1Very low30Very low245 Ų245160.5 Ų160.593%0.92580%0.804SS**  172.5129.4122.6-93.6162.9-175.8-148.71113.2
421R28.3Very low29.6Very low229 Ų229155.8 Ų155.886%0.86479%0.793SS**  trans-101157.4171.8-163.1-179.6-172.7-169.64.3110
422T27.3Very low29Very low123 Ų123156.2 Ų156.276%0.75580%0.795SS**  trans77130.1175.876.80000113.9
423Q26.2Very low28.5Very low183 Ų183152 Ų15286%0.85579%0.787SS**  -153175.451.4-68.5176.74.300113.4
424R28.5Very low28Very low226 Ų226154.1 Ų154.185%0.85379%0.792SS**  trans-127.2131.9169.2-179.7-163.2175.9-172.10.6108.3
425P31.4Very low27.6Very low100 Ų100154 Ų15465%0.64980%0.795SS**  -139.6138121.127.9-9.2000112.3
426E21.9Very low27.2Very low145 Ų145150 Ų15068%0.67879%0.788SS**  79.2122105.6-61.7-161.5114.100114.4
427R26.1Very low27Very low213 Ų213145.4 Ų145.480%0.80478%0.778SS**  49.6126100.6-57.3-178.8169.5-164.7-2111.5
428T23.6Very low26.7Very low122 Ų122146.8 Ų146.875%0.74878%0.777SS**  cis-161.8164.947.550.90000110.1
429D25.5Very low26.3Very low126 Ų126148.3 Ų148.367%0.67478%0.782SS**  cis-176-172.7-18.9-88.6-18.1000107.2
430E25.9Very low26Very low181 Ų181150 Ų15085%0.84678%0.782SS**  trans29.8148.1151.9-57.8-63.3100.300122.6
431A27.2Very low26Very low68 Ų68147.7 Ų147.756%0.56278%0.782SS**  cis-174.8165.8-10.800000109.8
432E25.4Very low25.8Very low189 Ų189142.8 Ų142.888%0.88377%0.769SS**  trans62.7152.1150-79.6179.9-169.700120.4
433S24.2Very low25.6Very low105 Ų105145.3 Ų145.373%0.73478%0.776SS**  cis-153.4169.8-0.145.30000112.7
434S26.4Very low25.7Very low108 Ų108145.2 Ų145.276%0.75577%0.768SS**  trans-49.2154.8171.8-42.30000116.6
435I25.6Very low25.6Very low172 Ų172141.2 Ų141.288%0.88276%0.758SS**  -149.3138.3120.537.8171000111.4
436S25.3Very low25.4Very low109 Ų109142.4 Ų142.476%0.76276%0.758SS**  trans-102.1153.7160.9-59.30000108.7
437S28.1Very low25.5Very low105 Ų105143.9 Ų143.973%0.73476%0.763SS**  165.6135.5121.4-75.70000114.8
438T23.4Very low25.4Very low125 Ų125138.1 Ų138.177%0.76776%0.755SS**  trans46.4129.5139.564.20000121.8
439S25.1Very low25.3Very low134 Ų134137 Ų13794%0.93775%0.752SS**  -141.4127.4120.8-95.40000110.8
440N24.5Very low25.2Very low142 Ų142139.9 Ų139.976%0.75976%0.762SS**  trans-111138.1172.5-134.1-16000105.1
441E25.3Very low25.2Very low197 Ų197139.7 Ų139.792%0.92176%0.761SS**  trans-131.5145.3155.2-124.1-164.8146.100111.6
442Q25.9Very low25.4Very low125 Ų125141.5 Ų141.558%0.58477%0.767SS**  trans-115.2142.7-163.4-57.3171.82.300109.8
443I23.2Very low25.2Very low176 Ų176141.8 Ų141.890%0.90377%0.765SS**  trans-126.4106.7145.5-63.5-172.4000109.9
444R27.6Very low25.3Very low181 Ų181141.2 Ų141.268%0.68377%0.767SS**  trans-77.1161159.2-72.7176.7172.5-163.90.6107.9
445H27Very low25.3Very low142 Ų142145.4 Ų145.466%0.65777%0.772SS**  cis-176.3177.313.3-129.2-28.8000112.1
446L25.8Very low25.2Very low125 Ų125146.4 Ų146.465%0.65477%0.769SS**  trans65.2144.6155.4-90.382.4000117.5
447K25.2Very low25.1Very low177 Ų177146.9 Ų146.977%0.7777%0.773SS**  cis-169175.7-11.2-127.3-179.6-162.7174.60107
448S22.6Very low25Very low92 Ų92153 Ų15364%0.64378%0.78SS**  cis-154.8154.43.7-155.50000113.9
449S22.5Very low25.1Very low97 Ų97157.6 Ų157.668%0.67878%0.783SS**  trans-18.1144155.6-35.30000122
450Q23.7Very low25Very low188 Ų188156.3 Ų156.388%0.87977%0.77SS**  172.7133.2102.4-92.5179.712.400114.6
451E24.2Very low25.1Very low177 Ų177157.4 Ų157.483%0.82778%0.775SS**  trans-79.1158147.9-89.1-163.6119.600108.9
452P31.4Very low25.2Very low106 Ų106155.4 Ų155.469%0.68877%0.769SS**  -161.8171.356.843.1-20.1000121.4
453K22.6Very low25.2Very low194 Ų194156.1 Ų156.184%0.84378%0.781SS**  trans47109.9139.8-66.3170.2-175.9173.70123
454A25.4Very low25.3Very low94 Ų94156 Ų15678%0.77778%0.777SS**  51.2129.2119.200000124.9
455K26.6Very low25.9Very low196 Ų196152.7 Ų152.785%0.85278%0.779SS**  trans121.2131.7139.5-78.4179.6176.1170.60119.7
456K24.3Very low25.7Very low193 Ų193155.7 Ų155.784%0.83979%0.79SS**  trans81.1106.1146.9-76.4-178.5174-174.20122.7
457S23.2Very low25.7Very low119 Ų119158.6 Ų158.683%0.83280%0.8SS**  60.6112111.1-167.70000123.1
458R24.9Very low25.6Very low233 Ų233159.8 Ų159.888%0.87981%0.809SS**  176.9122.5127.2-136.1165.5179.2173-0.5107.9
459R25.6Very low25.9Very low221 Ų221159.9 Ų159.983%0.83482%0.815SS**  46.6120.578.6-159.5-174172.6178.5-0.4111.6
460T24.3Very low26.1Very low107 Ų107161.1 Ų161.166%0.65682%0.824SS**  cis-156.2163.815.7-1.40000108.4
461L25.3Very low26.2Very low165 Ų165160.8 Ų160.886%0.86482%0.822SS**  -176.1159.589-93.1170.8000111.4
462I28.3Very low26.5Very low155 Ų155158.4 Ų158.480%0.79582%0.822SS**  trans-107.4134.5178.7-65.7159.6000108.9
463V26Very low26.4Very low141 Ų141162 Ų16286%0.85583%0.829SS**  trans-148.4117.7155.6-175.60000110
464E25.3Very low26.8Very low173 Ų173158.8 Ų158.881%0.80883%0.829SS**  trans-108.4177.4150.6-77-167.6145.700107
465P38.8Very low26.9Very low111 Ų111163.2 Ų163.272%0.72183%0.833SS**  cis-136175.6442.1-26.1000115.3
466K23.1Very low27.2Very low206 Ų206162.3 Ų162.390%0.89683%0.834SS**  -173.2146.9115.6-115-171.4172-167.40114.1
467E26.8Very low27.3Very low186 Ų186162 Ų16287%0.86984%0.836SS**  trans-80.3150.1172-56.7168.8120.200111.9
468E23.7Very low27.4Very low202 Ų202160.5 Ų160.594%0.94483%0.83SS**  trans-155.8153.2132.6-127.4168-158.500109.9
469A27Very low27.5Very low93 Ų93156.7 Ų156.777%0.76983%0.833SS**  trans-112.5147.6-163.100000113.9
470S27.1Very low27.5Very low124 Ų124151.3 Ų151.387%0.86783%0.829SS**  trans180134.8143.624.30000111.9
471E27.3Very low27.6Very low181 Ų181152 Ų15285%0.84684%0.838SS**  trans-80.5159161.8-60.9-178.2134.500109.8
472P30.3Very low27.7Very low127 Ų127149.3 Ų149.383%0.82583%0.833SS**  -137169.685.728.1-8.9000115.3
473E28.8Very low27.8Very low180 Ų180151.3 Ų151.384%0.84184%0.839SS**PPolyproline II helixtrans-60.5148.5179.9-56.7174.3115.800114.1
474P30.6Very low27.9Very low128 Ų128153.3 Ų153.383%0.83184%0.839SS**PPolyproline II helixtrans-87.9123.8163.232.9-29.1000111.4
475E27.1Very low28.1Very low186 Ų186152.3 Ų152.387%0.86984%0.837SS**PPolyproline II helixtrans-61.7140.8174.9-70.7-179.111600112.8E477E475-E477 PolarHBondContact O-N 3.49Å; E475-E477 VanDerWaalsContact O-N 3.1Å
476M32.9Very low27.6Very low177 Ų177152.6 Ų152.687%0.87284%0.839SS**  trans-79.383.1175.243.9163.4-86.100111.8A478M476-A478 PolarHBondContact O-N 3.04Å
477E26.9Very low27.8Very low188 Ų188149.9 Ų149.988%0.87984%0.84SS**  trans-64.8117.6172-76.1-136133.900112E475E475-E477 PolarHBondContact O-N 3.49Å; E475-E477 VanDerWaalsContact O-N 3.1Å
478A25.6Very low27.9Very low86 Ų86145.9 Ų145.971%0.71183%0.832SS**  trans-81.1123.9171.400000110.3M476 S480M476-A478 PolarHBondContact O-N 3.04Å; A478-S480 PolarHBondContact O-N 3.11Å
479V27.1Very low28.2Very low154 Ų154141.6 Ų141.693%0.93382%0.824SS**  trans-62.192.8177.4-82.90000112.7S481V479-S481 PolarHBondContact O-N 3.37Å
480S24.7Very low28.4Very low108 Ų108141.5 Ų141.576%0.75582%0.824SS**  trans-84.496.1170.9-1790000110.4A478 S482A478-S480 PolarHBondContact O-N 3.11Å; S480-S482 PolarHBondContact O-N 2.98Å; S480-S482 VanDerWaalsContact O-N 3.11Å
481S26.7Very low28.7Very low122 Ų122141.2 Ų141.285%0.85382%0.819SS**  trans-81.587.5171.5-167.50000110.5V479V479-S481 PolarHBondContact O-N 3.37Å
482S28.6Very low29.2Very low107 Ų107138.1 Ų138.175%0.74881%0.814SS**  trans-151.599.5164.3-74.60000108.4S480S480-S482 PolarHBondContact O-N 2.98Å; S480-S482 VanDerWaalsContact O-N 3.11Å
483Q29.1Very low29.5Very low198 Ų198137.2 Ų137.293%0.92581%0.809SS**  trans-121.6120.4167.4-150.7167.432.100108.3
484E27.6Very low29.8Very low182 Ų182134.9 Ų134.985%0.8581%0.809SS**  trans-75.9146.3-174.9-60-178142.600110.7
485I31.4Very low29.7Very low152 Ų152137.3 Ų137.378%0.77981%0.809SS**  trans-74.8129.6172.1-59.1169000107.8V487I485-V487 PolarHBondContact O-N 3.41Å; I485-V487 VanDerWaalsContact O-N 3.09Å
486P27.8Very low29.9Very low118 Ų118137.9 Ų137.977%0.76681%0.809SS**  trans-65.1111.9175.5-19.732000111.1S488P486-S488 PolarHBondContact O-N 2.93Å
487V27.9Very low29.6Very low148 Ų148137.1 Ų137.190%0.89781%0.807SS**  trans-84.1101.5169-177.10000108.1I485I485-V487 PolarHBondContact O-N 3.41Å; I485-V487 VanDerWaalsContact O-N 3.09Å
488S28.1Very low29.8Very low103 Ų103133.4 Ų133.472%0.7280%0.803SS**  trans-116.2128.5176.3-135.30000111.3P486P486-S488 PolarHBondContact O-N 2.93Å
489S29.4Very low29.9Very low111 Ų111136.1 Ų136.178%0.77681%0.81SS**  trans53.1110.7164.851.20000118.7
490A31.2Very low29.9Very low91 Ų91133.7 Ų133.775%0.75280%0.8SS**PPolyproline II helixtrans-62151.3158.200000111.3
491P34.4Very low30.3Very low118 Ų118134.3 Ų134.377%0.76680%0.799SS**PPolyproline II helixtrans-68.7144.4176.328.8-34.6000111.6
492P37Very low30.4Very low116 Ų116136.9 Ų136.975%0.75380%0.798SS**PPolyproline II helixtrans-69.1157174.829.8-34.8000111.7
493P37.3Very low30.5Very low109 Ų109138.2 Ų138.271%0.70880%0.802SS**PPolyproline II helixtrans-66.8152.417630-35.7000111.4E495P493-E495 PolarHBondContact O-N 2.91Å; P493-E495 VanDerWaalsContact O-N 3.14Å
494P35.3Very low30.8Very low130 Ų130138 Ų13884%0.84480%0.797SS**  trans-67113.5177.726.9-33.5000111.1
495E28.6Very low30.8Very low179 Ų179139.3 Ų139.384%0.83680%0.8SS**  trans-65.7143.1168.8-73.1-168.3123.300111.3P493 L497P493-E495 PolarHBondContact O-N 2.91Å; P493-E495 VanDerWaalsContact O-N 3.14Å; E495-L497 PolarHBondContact O-N 3.17Å; E495-L497 VanDerWaalsContact O-N 3.08Å
496K30.9Very low30.9Very low199 Ų199136.8 Ų136.887%0.86580%0.802SS**  trans-76.694.7178.3-65177.7-179.1178.40109.9S498K496-S498 PolarHBondContact O-N 3.38Å
497L27.1Very low31Very low160 Ų160137.2 Ų137.284%0.83881%0.808SS**  trans-73.893.6170.7-72.1176000111E495 V499E495-L497 PolarHBondContact O-N 3.17Å; E495-L497 VanDerWaalsContact O-N 3.08Å; L497-V499 PolarHBondContact O-N 3.12Å
498S29.3Very low31.2Very low111 Ų111133.9 Ų133.978%0.77680%0.804SS**  trans-68.5103.2168.9-63.80000110.7K496 S500K496-S498 PolarHBondContact O-N 3.38Å; S498-S500 VanDerWaalsContact C-N 3.32Å; S498-S500 PolarHBondContact O-N 2.68Å
499V28.3Very low31.3Very low142 Ų142132.8 Ų132.886%0.86181%0.809SS**  trans-74.488.9168.1-179.90000108.7L497L497-V499 PolarHBondContact O-N 3.12Å
500S28Very low31.5Very low103 Ų103133 Ų13372%0.7281%0.81SS**  trans-78.4130.7173.4-172.10000110.9S498 Q502S498-S500 VanDerWaalsContact C-N 3.32Å; S498-S500 PolarHBondContact O-N 2.68Å; S500-Q502 PolarHBondContact O-N 2.93Å
501T31.5Very low32.1Very low122 Ų122134.2 Ų134.275%0.74881%0.81SS**  trans-64.4125.1177.547.30000112.4
502Q29.2Very low32.1Very low176 Ų176139.9 Ų139.982%0.82282%0.816SS**  trans-131.878.8154.9-73.6-163.211.500111.1S500 K504S500-Q502 PolarHBondContact O-N 2.93Å; Q502-K504 PolarHBondContact O-N 3.46Å
503T31.8Very low32.1Very low135 Ų135142.9 Ų142.983%0.82882%0.822SS**  trans-72.4107.8161.937.50000109.2K505T503-K505 PolarHBondContact O-N 3.2Å
504K34.2Very low31.8Very low192 Ų192145.2 Ų145.284%0.83583%0.828SS**  trans-67.2118.7171.8-71.5-176.6177.8178.60109.3Q502 A506Q502-K504 PolarHBondContact O-N 3.46Å; K504-A506 PolarHBondContact O-N 3.45Å
505K28.9Very low31.8Very low211 Ų211147.9 Ų147.992%0.91783%0.829SS**  trans-63.8117.4167.5-80.5-178.4174.1177.50109.4T503T503-K505 PolarHBondContact O-N 3.2Å
506A33.3Very low32Very low99 Ų99150.3 Ų150.382%0.81883%0.83SS**  trans-113.8121.4156.800000107.7K504K504-A506 PolarHBondContact O-N 3.45Å
507S29.4Very low32Very low126 Ų126145.6 Ų145.688%0.88182%0.823SS**  trans-83.5134.3-179.2-54.60000110.5
508G31.2Very low32.3Very low79 Ų79143.3 Ų143.381%0.81482%0.816SS**  trans168.1117.9167.400000116
509G30.2Very low32.5Very low80 Ų80146.5 Ų146.583%0.82582%0.818SS**  trans80.792150.800000118.1
510S34.4Very low33Very low114 Ų114146 Ų14680%0.79782%0.816SS**  trans-93.6127.7156.5176.40000109.9R512S510-R512 PolarHBondContact O-N 2.86Å
511P44Very low33.4Very low117 Ų117148.6 Ų148.676%0.7682%0.822SS**  trans-80.7112.7167.1-5.723.5000110.2M513P511-M513 PolarHBondContact O-N 3.09Å
512R34.5Very low33.5Very low237 Ų237148.4 Ų148.489%0.89483%0.825SS**  trans-62.4124.9162.6-93.9178.5163.7-178.9-4.6109.4S510S510-R512 PolarHBondContact O-N 2.86Å
513M36.7Very low33.9Very low179 Ų179149.5 Ų149.588%0.88283%0.83SS**  trans-125.393.9154.9-73.5-154.472.800111.3P511P511-M513 PolarHBondContact O-N 3.09Å
514L32.1Very low34.4Very low159 Ų159146 Ų14683%0.83282%0.821SS**  trans8.6123.3151.7-59.7166.9000118.4R516L514-R516 PolarHBondContact O-N 3.38Å
515H34.7Very low35Very low185 Ų185143.1 Ų143.186%0.85682%0.822SS**  trans-54125150.1-90.1-109.1000109.9
516R33.6Very low35.8Very low230 Ų230137.2 Ų137.287%0.86881%0.806SS**  trans-107.397.9157.4-170.5175.7-170.4169.43.7108.7L514 T518L514-R516 PolarHBondContact O-N 3.38Å; R516-T518 PolarHBondContact O-N 3.02Å
517S29Very low36.7Very low101 Ų101139.3 Ų139.371%0.70680%0.799SS**  trans-68.4108170.2-55.50000109.4
518T34.5Very low37.9Very low112 Ų112139 Ų13969%0.68779%0.787SS**  trans-91.4104.7158.9-60.40000107R516 T520R516-T518 PolarHBondContact O-N 3.02Å; T518-T520 HydrophobicContact CG2-CG2 4.47Å; T518-T520 PolarHBondContact O-N 3.43Å
519Q33.2Very low39Very low178 Ų178140.4 Ų140.483%0.83277%0.774SS**  trans-68.9127166-69.3175-900108.6
520T37.9Very low40Very low131 Ų131138.6 Ų138.680%0.80475%0.748SS**  trans-126.1112.8151.752.10000106.8T518T518-T520 HydrophobicContact CG2-CG2 4.47Å; T518-T520 PolarHBondContact O-N 3.43Å
521N37.3Very low41.2Very low158 Ų158140 Ų14085%0.84574%0.742SS**  trans-125.395.7179.7-173.142.6000108.7
522S33.6Very low42Very low117 Ų117140.7 Ų140.782%0.81874%0.735SS**  trans-165.1133.8158.535.30000109.8
523E37.8Very low43.5Very low200 Ų200136 Ų13694%0.93572%0.721SS**  trans-66.7143.8-158.4-55-179134.700115.6
524G42.6Very low44.9Very low62 Ų62136.1 Ų136.164%0.63971%0.713SS**  trans-168.7110.1164.500000109.2C526G524-C526 PolarHBondContact O-N 3.3Å
525P45.7Very low46.8Very low131 Ų131131.4 Ų131.485%0.85169%0.694SS**  trans-77.583.7-168.426.7-30.8000112.9H527P525-H527 PolarHBondContact O-N 3.11Å
526C45.8Very low48.8Very low87 Ų87129 Ų12959%0.58868%0.68SS**  trans-73.175.8157.9-162.20000109.6G524 N528 C530G524-C526 PolarHBondContact O-N 3.3Å; C526-N528 PolarHBondContact O-N 3.33Å; C526-C530 WeakPolarHBondContact CB-SG 3.37Å; C526-C530 PolarHBondContact O-SG 3.47Å; C526-C530 WeakPolarHBondContact SG-CB 3.48Å; C526-C530 CovalentContact SG-SG 2.05Å; C526-C530 PolarHBondContact SG-SG 2.95Å
527H51.7Low50.9Low143 Ų143121.9 Ų121.966%0.66266%0.663SS**  trans-53.2104177.1177.3-75000111.2P525 M529P525-H527 PolarHBondContact O-N 3.11Å; H527-M529 WeakPolarHBondContact O-CB 3.48Å; H527-M529 PolarHBondContact O-N 2.84Å
528N56.2Low53.2Low118 Ų118124.2 Ų124.263%0.63166%0.66SS**SBendtrans38.4-40.8165.9-66-19.9000120.7C526 C530 H531 E532C526-N528 PolarHBondContact O-N 3.33Å; N528-C530 PolarHBondContact O-N 2.87Å; N528-C530 VanDerWaalsContact O-N 3.14Å; N528-H531 PolarHBondContact O-N 3.07Å; N528-E532 WeakPolarHBondContact O-CB 3.47Å; N528-E532 PolarHBondContact O-N 3.4Å
529M53Low55.4Low109 Ų109120.3 Ų120.354%0.53764%0.642SS.*Hα-helixtrans-52-31.9179.4-155.281.768.600114H527 K533H527-M529 WeakPolarHBondContact O-CB 3.48Å; H527-M529 PolarHBondContact O-N 2.84Å; M529-K533 HydrophobicContact CG-CD 4.47Å; M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.27Å; M529-K533 WeakPolarHBondContact O-CG 3.19Å; M529-K533 PolarHBondContact O-N 2.85Å; M529-K533 VanDerWaalsContact O-N 3.11Å
530C52.6Low57.6Low43 Ų43117 Ų11729%0.29163%0.626SS.*Hα-helixtrans-73-51.5177.346.10000111.8C526 N528 E532 K533 Y534C526-C530 WeakPolarHBondContact CB-SG 3.37Å; C526-C530 PolarHBondContact O-SG 3.47Å; C526-C530 WeakPolarHBondContact SG-CB 3.48Å; C526-C530 CovalentContact SG-SG 2.05Å; C526-C530 PolarHBondContact SG-SG 2.95Å; N528-C530 PolarHBondContact O-N 2.87Å; N528-C530 VanDerWaalsContact O-N 3.14Å; C530-E532 VanDerWaalsContact C-N 3.29Å; C530-E532 PolarHBondContact O-N 3.24Å; C530-K533 PolarHBondContact O-N 2.97Å; C530-Y534 VanDerWaalsContact O-CD2 3.3Å; C530-Y534 WeakPolarHBondContact O-CD2 3.27Å; C530-Y534 PolarHBondContact O-N 2.77Å
531H58.7Low59.8Low142 Ų142114.3 Ų114.366%0.65761%0.61SS**Hα-helixtrans-62.8-36.7178.3-172.9-87.2000112.2N528 S535N528-H531 PolarHBondContact O-N 3.07Å; H531-S535 PolarHBondContact CE1-OG 3.39Å; H531-S535 VanDerWaalsContact O-CB 3.24Å; H531-S535 WeakPolarHBondContact O-CB 3.36Å; H531-S535 PolarHBondContact O-N 3.47Å; H531-S535 PolarHBondContact O-OG 3.26Å
532E61.6Low61.9Low133 Ų133112.2 Ų112.262%0.62159%0.593SS**Hα-helixtrans-69.7-43.1178.5-164.3166.7-139.300112.2N528 C530 S535 K536N528-E532 WeakPolarHBondContact O-CB 3.47Å; N528-E532 PolarHBondContact O-N 3.4Å; C530-E532 VanDerWaalsContact C-N 3.29Å; C530-E532 PolarHBondContact O-N 3.24Å; E532-S535 PolarHBondContact O-N 3.01Å; E532-K536 VanDerWaalsContact O-CB 3.31Å; E532-K536 WeakPolarHBondContact O-CB 3.26Å; E532-K536 PolarHBondContact O-N 2.89Å
533K64.2Low64.4Low137 Ų137111.3 Ų111.360%0.59658%0.576SS**Hα-helixtrans-62.5-46.6171.6-77.2176.5179.3-176.50112.3M529 C530 K536 V537M529-K533 HydrophobicContact CG-CD 4.47Å; M529-K533 VanDerWaalsContact O-CB 3.29Å; M529-K533 WeakPolarHBondContact O-CB 3.27Å; M529-K533 WeakPolarHBondContact O-CG 3.19Å; M529-K533 PolarHBondContact O-N 2.85Å; M529-K533 VanDerWaalsContact O-N 3.11Å; C530-K533 PolarHBondContact O-N 2.97Å; K533-K536 PolarHBondContact O-N 3.2Å; K533-V537 WeakPolarHBondContact O-CB 3.4Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 3.07Å
534Y66.7Low66.5Low182 Ų182107.7 Ų107.771%0.71456%0.561SS**Hα-helixtrans-64.4-40.1177.4-86.1-73.1000112.3C530 F538C530-Y534 VanDerWaalsContact O-CD2 3.3Å; C530-Y534 WeakPolarHBondContact O-CD2 3.27Å; C530-Y534 PolarHBondContact O-N 2.77Å; Y534-F538 WeakPolarHBondContact O-CB 3.48Å; Y534-F538 PolarHBondContact O-N 3.12Å
535S72.7Confident68.5Low61 Ų61111.3 Ų111.343%0.42756%0.562SS.*Hα-helixtrans-65.3-39.9175.3-64.70000112.2H531 E532 G539H531-S535 PolarHBondContact CE1-OG 3.39Å; H531-S535 VanDerWaalsContact O-CB 3.24Å; H531-S535 WeakPolarHBondContact O-CB 3.36Å; H531-S535 PolarHBondContact O-N 3.47Å; H531-S535 PolarHBondContact O-OG 3.26Å; E532-S535 PolarHBondContact O-N 3.01Å; S535-G539 PolarHBondContact O-N 3.02Å
536K76.2Confident70.3Confident134 Ų134110.2 Ų110.258%0.58354%0.544SS*.Hα-helixtrans-65.3-50176.1-176.7173.1173.2177.60111.5E532 K533 F538 G539 E540E532-K536 VanDerWaalsContact O-CB 3.31Å; E532-K536 WeakPolarHBondContact O-CB 3.26Å; E532-K536 PolarHBondContact O-N 2.89Å; K533-K536 PolarHBondContact O-N 3.2Å; K536-F538 VanDerWaalsContact C-N 3.34Å; K536-F538 PolarHBondContact O-N 3.35Å; K536-G539 PolarHBondContact O-N 3.03Å; K536-G539 VanDerWaalsContact O-N 3.15Å; K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 WeakPolarHBondContact CG-OE1 3.22Å; K536-E540 IonicContact NZ-OE1 3.04Å; K536-E540 WeakPolarHBondContact O-CG 3.44Å; K536-E540 PolarHBondContact O-N 3.44Å
537V77.9Confident72.2Confident81 Ų81108 Ų10849%0.49153%0.532SS..Hα-helixtrans-60.9-42.1176.9171.50000111.3K533 G539 E540 V541K533-V537 WeakPolarHBondContact O-CB 3.4Å; K533-V537 WeakPolarHBondContact O-CG2 3.34Å; K533-V537 PolarHBondContact O-N 3.07Å; V537-G539 VanDerWaalsContact C-N 3.34Å; V537-G539 PolarHBondContact O-N 2.96Å; V537-E540 PolarHBondContact O-N 2.59Å; V537-V541 HydrophobicContact CG1-CG2 4.43Å; V537-V541 WeakPolarHBondContact O-CB 3.29Å; V537-V541 VanDerWaalsContact O-CG2 3.29Å; V537-V541 WeakPolarHBondContact O-CG2 3.43Å; V537-V541 PolarHBondContact O-N 3Å
538F77.8Confident73.8Confident150 Ų150105.7 Ų105.766%0.65853%0.525SS*.Hα-helixtrans-66.8-35.3176.3-167.8-96.2000112.3Y534 K536 K542Y534-F538 WeakPolarHBondContact O-CB 3.48Å; Y534-F538 PolarHBondContact O-N 3.12Å; K536-F538 VanDerWaalsContact C-N 3.34Å; K536-F538 PolarHBondContact O-N 3.35Å; F538-K542 WeakPolarHBondContact O-CB 3.39Å; F538-K542 PolarHBondContact O-N 3.45Å
539G79.6Confident75.2Confident29 Ų29105.1 Ų105.130%0.29952%0.522SS..Hα-helixtrans-63.8-48171.300000112.5S535 K536 V537 K542 E543S535-G539 PolarHBondContact O-N 3.02Å; K536-G539 PolarHBondContact O-N 3.03Å; K536-G539 VanDerWaalsContact O-N 3.15Å; V537-G539 VanDerWaalsContact C-N 3.34Å; V537-G539 PolarHBondContact O-N 2.96Å; G539-K542 PolarHBondContact O-N 3.24Å; G539-E543 PolarHBondContact O-N 3.32Å
540E80.3Confident77Confident108 Ų108106 Ų10651%0.50552%0.522SS..Hα-helixtrans-61.4-45.5177.3-73.2168.3175.400111.6K536 V537 K542 E543 M544K536-E540 WeakPolarHBondContact CE-OE1 3.45Å; K536-E540 WeakPolarHBondContact CG-OE1 3.22Å; K536-E540 IonicContact NZ-OE1 3.04Å; K536-E540 WeakPolarHBondContact O-CG 3.44Å; K536-E540 PolarHBondContact O-N 3.44Å; V537-E540 PolarHBondContact O-N 2.59Å; E540-K542 VanDerWaalsContact C-N 3.34Å; E540-K542 PolarHBondContact O-N 2.89Å; E540-E543 PolarHBondContact O-N 3.08Å; E540-M544 VanDerWaalsContact O-CB 3.28Å; E540-M544 WeakPolarHBondContact O-CB 3.45Å; E540-M544 PolarHBondContact O-N 2.95Å
541V84.1Confident78.7Confident75 Ų75110.8 Ų110.846%0.45553%0.534SS..Hα-helixtrans-62.4-39.6174.1170.30000111.6V537 M544 M545V537-V541 HydrophobicContact CG1-CG2 4.43Å; V537-V541 WeakPolarHBondContact O-CB 3.29Å; V537-V541 VanDerWaalsContact O-CG2 3.29Å; V537-V541 WeakPolarHBondContact O-CG2 3.43Å; V537-V541 PolarHBondContact O-N 3Å; V541-M544 PolarHBondContact O-N 3.39Å; V541-M545 VanDerWaalsContact O-CB 3.31Å; V541-M545 WeakPolarHBondContact O-CB 3.21Å; V541-M545 PolarHBondContact O-N 3.08Å
542K82.3Confident80.2Confident114 Ų114107.9 Ų107.950%0.49652%0.521SS..Hα-helixtrans-67.3-42.3178.1-177.5-179.5-176.8-1800112.6F538 G539 E540 K546F538-K542 WeakPolarHBondContact O-CB 3.39Å; F538-K542 PolarHBondContact O-N 3.45Å; G539-K542 PolarHBondContact O-N 3.24Å; E540-K542 VanDerWaalsContact C-N 3.34Å; E540-K542 PolarHBondContact O-N 2.89Å; K542-K546 WeakPolarHBondContact O-CG 3.37Å; K542-K546 PolarHBondContact O-N 3.43Å
543E84.1Confident81.5Confident99 Ų99105.1 Ų105.146%0.46351%0.514SS..Hα-helixtrans-71.3-36.1175.3-63.5-44120.700111.7G539 E540 K546 A547G539-E543 PolarHBondContact O-N 3.32Å; E540-E543 PolarHBondContact O-N 3.08Å; E543-K546 VanDerWaalsContact CD-NZ 3.26Å; E543-K546 PolarHBondContact O-N 3.41Å; E543-K546 WeakPolarHBondContact OE1-CE 3.49Å; E543-K546 IonicContact OE1-NZ 3.83Å; E543-K546 PolarHBondContact OE1-NZ 3.43Å; E543-K546 VanDerWaalsContact OE2-CD 3.25Å; E543-K546 WeakPolarHBondContact OE2-CD 3.27Å; E543-K546 IonicContact OE2-NZ 3.56Å; E543-K546 PolarHBondContact OE2-NZ 2.93Å; E543-A547 WeakPolarHBondContact O-CB 3.44Å; E543-A547 PolarHBondContact O-N 3.48Å
544M82.1Confident82.8Confident124 Ų124103 Ų10361%0.61151%0.506SS*.Hα-helixtrans-60.5-47.8171.5-170.7174.477.700111.1E540 V541 K546 A547 D548E540-M544 VanDerWaalsContact O-CB 3.28Å; E540-M544 WeakPolarHBondContact O-CB 3.45Å; E540-M544 PolarHBondContact O-N 2.95Å; V541-M544 PolarHBondContact O-N 3.39Å; M544-K546 VanDerWaalsContact C-N 3.35Å; M544-K546 PolarHBondContact O-N 3.05Å; M544-A547 PolarHBondContact O-N 3.42Å; M544-D548 WeakPolarHBondContact O-CB 3.42Å; M544-D548 PolarHBondContact O-N 3.27Å
545M84.8Confident84.1Confident138 Ų138100.4 Ų100.468%0.6850%0.495SS*.Hα-helixtrans-64.4-35.4178.6-172.5175.8-177.200112.8V541 N549V541-M545 VanDerWaalsContact O-CB 3.31Å; V541-M545 WeakPolarHBondContact O-CB 3.21Å; V541-M545 PolarHBondContact O-N 3.08Å; M545-N549 VanDerWaalsContact O-CB 3.25Å; M545-N549 WeakPolarHBondContact O-CB 3.33Å; M545-N549 PolarHBondContact O-N 2.95Å
546K84.4Confident85.1Confident107 Ų107101.1 Ų101.147%0.46550%0.496SS..Hα-helixtrans-66.5-44.5170.8-75.8167170.3179.90112.2K542 E543 M544 D548 N549 K550K542-K546 WeakPolarHBondContact O-CG 3.37Å; K542-K546 PolarHBondContact O-N 3.43Å; E543-K546 VanDerWaalsContact CD-NZ 3.26Å; E543-K546 PolarHBondContact O-N 3.41Å; E543-K546 WeakPolarHBondContact OE1-CE 3.49Å; E543-K546 IonicContact OE1-NZ 3.83Å; E543-K546 PolarHBondContact OE1-NZ 3.43Å; E543-K546 VanDerWaalsContact OE2-CD 3.25Å; E543-K546 WeakPolarHBondContact OE2-CD 3.27Å; E543-K546 IonicContact OE2-NZ 3.56Å; E543-K546 PolarHBondContact OE2-NZ 2.93Å; M544-K546 VanDerWaalsContact C-N 3.35Å; M544-K546 PolarHBondContact O-N 3.05Å; K546-D548 VanDerWaalsContact C-N 3.27Å; K546-D548 PolarHBondContact O-N 2.95Å; K546-N549 PolarHBondContact O-N 2.69Å; K546-K550 VanDerWaalsContact O-CB 3.29Å; K546-K550 WeakPolarHBondContact O-CB 3.47Å; K546-K550 PolarHBondContact O-N 3.19Å
547A86.2Confident85.9Confident41 Ų4198.4 Ų98.434%0.33949%0.491SS..Hα-helixtrans-63.2-37.4178.500000111.1E543 M544 R551E543-A547 WeakPolarHBondContact O-CB 3.44Å; E543-A547 PolarHBondContact O-N 3.48Å; M544-A547 PolarHBondContact O-N 3.42Å; A547-R551 WeakPolarHBondContact O-CG 3.49Å; A547-R551 PolarHBondContact O-N 3.34Å
548D84.4Confident86.6Confident94 Ų94101.8 Ų101.850%0.50350%0.495SS..Hα-helixtrans-71.3-46.8176.8-131.547.4000112.5M544 K546 K550 R551 E552M544-D548 WeakPolarHBondContact O-CB 3.42Å; M544-D548 PolarHBondContact O-N 3.27Å; K546-D548 VanDerWaalsContact C-N 3.27Å; K546-D548 PolarHBondContact O-N 2.95Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.19Å; D548-R551 PolarHBondContact O-N 2.92Å; D548-R551 VanDerWaalsContact O-N 3.13Å; D548-R551 IonicContact OD1-CZ 2.94Å; D548-R551 IonicContact OD1-NE 3.65Å; D548-R551 IonicContact OD1-NH2 3.75Å; D548-R551 PolarHBondContact OD1-NH2 3.37Å; D548-E552 WeakPolarHBondContact O-CB 3.34Å; D548-E552 PolarHBondContact O-N 2.88Å
549N86.3Confident87.4Confident106 Ų10699.6 Ų99.657%0.56749%0.487SS*.Hα-helixtrans-59-38.4173.8-172-62.7000111.8M545 K546 T553M545-N549 VanDerWaalsContact O-CB 3.25Å; M545-N549 WeakPolarHBondContact O-CB 3.33Å; M545-N549 PolarHBondContact O-N 2.95Å; K546-N549 PolarHBondContact O-N 2.69Å; N549-T553 WeakPolarHBondContact O-CB 3.34Å; N549-T553 PolarHBondContact O-N 2.98Å; N549-T553 PolarHBondContact O-OG1 2.61Å
550K89.9Confident88Confident127 Ų127101 Ų10155%0.55250%0.495SS*.Hα-helixtrans-63.3-48.9172.8-179.4-179.5169.1-176.40111.7K546 D548 E552 T553 E554K546-K550 VanDerWaalsContact O-CB 3.29Å; K546-K550 WeakPolarHBondContact O-CB 3.47Å; K546-K550 PolarHBondContact O-N 3.19Å; D548-K550 VanDerWaalsContact C-N 3.26Å; D548-K550 PolarHBondContact O-N 3.19Å; K550-E552 VanDerWaalsContact C-N 3.34Å; K550-E552 PolarHBondContact O-N 3.45Å; K550-T553 PolarHBondContact O-N 3.39Å; K550-E554 WeakPolarHBondContact CE-OE1 3.39Å; K550-E554 IonicContact NZ-OE1 2.66Å; K550-E554 WeakPolarHBondContact O-CG 3.48Å; K550-E554 PolarHBondContact O-N 2.71Å
551R89.2Confident88.5Confident144 Ų144100.1 Ų100.154%0.54349%0.493SS..Hα-helixtrans-61.2-41.7177.7-79-174.7-68.6-125.82.6112.2A547 D548 E554 R555A547-R551 WeakPolarHBondContact O-CG 3.49Å; A547-R551 PolarHBondContact O-N 3.34Å; D548-R551 PolarHBondContact O-N 2.92Å; D548-R551 VanDerWaalsContact O-N 3.13Å; D548-R551 IonicContact OD1-CZ 2.94Å; D548-R551 IonicContact OD1-NE 3.65Å; D548-R551 IonicContact OD1-NH2 3.75Å; D548-R551 PolarHBondContact OD1-NH2 3.37Å; R551-E554 PolarHBondContact O-N 2.95Å; R551-R555 WeakPolarHBondContact O-CB 3.27Å; R551-R555 PolarHBondContact O-N 3.34Å
552E90.1Very high89Confident82 Ų82101.7 Ų101.738%0.38350%0.496SS..Hα-helixtrans-63.6-45.2176.1-173.156.9-146.600111.2D548 K550 E554 R555 V556D548-E552 WeakPolarHBondContact O-CB 3.34Å; D548-E552 PolarHBondContact O-N 2.88Å; K550-E552 VanDerWaalsContact C-N 3.34Å; K550-E552 PolarHBondContact O-N 3.45Å; E552-E554 VanDerWaalsContact C-N 3.35Å; E552-E554 PolarHBondContact O-N 3.46Å; E552-R555 PolarHBondContact O-N 2.88Å; E552-R555 IonicContact OE1-CZ 3.54Å; E552-R555 IonicContact OE1-NE 3.52Å; E552-R555 PolarHBondContact OE1-NE 3.2Å; E552-R555 IonicContact OE1-NH2 3.79Å; E552-R555 PolarHBondContact OE1-NH2 3.5Å; E552-R555 IonicContact OE2-CZ 2.86Å; E552-R555 IonicContact OE2-NE 2.67Å; E552-R555 PolarHBondContact OE2-NE 2.81Å; E552-R555 IonicContact OE2-NH1 3.76Å; E552-R555 IonicContact OE2-NH2 2.78Å; E552-R555 PolarHBondContact OE2-NH2 3.38Å; E552-V556 WeakPolarHBondContact O-CG2 3.45Å; E552-V556 PolarHBondContact O-N 2.78Å
553T89.4Confident89.6Confident75 Ų75102.6 Ų102.646%0.4650%0.5SS..Hα-helixtrans-59.9-44.2174.8-56.90000111.5N549 K550 R555 V556 V557N549-T553 WeakPolarHBondContact O-CB 3.34Å; N549-T553 PolarHBondContact O-N 2.98Å; N549-T553 PolarHBondContact O-OG1 2.61Å; K550-T553 PolarHBondContact O-N 3.39Å; T553-R555 VanDerWaalsContact C-N 3.35Å; T553-R555 PolarHBondContact O-N 3.26Å; T553-V556 PolarHBondContact O-N 3.35Å; T553-V557 HydrophobicContact CG2-CG2 4.49Å; T553-V557 WeakPolarHBondContact O-CB 3.3Å; T553-V557 VanDerWaalsContact O-CG2 3.25Å; T553-V557 WeakPolarHBondContact O-CG2 3.44Å; T553-V557 PolarHBondContact O-N 2.81Å
554E90.1Very high90.1Very high93 Ų93102.4 Ų102.444%0.43550%0.501SS..Hα-helixtrans-64.8-35.4176.6-74.8175-179.700112.7K550 R551 E552 R558K550-E554 WeakPolarHBondContact CE-OE1 3.39Å; K550-E554 IonicContact NZ-OE1 2.66Å; K550-E554 WeakPolarHBondContact O-CG 3.48Å; K550-E554 PolarHBondContact O-N 2.71Å; R551-E554 PolarHBondContact O-N 2.95Å; E552-E554 VanDerWaalsContact C-N 3.35Å; E552-E554 PolarHBondContact O-N 3.46Å; E554-R558 WeakPolarHBondContact O-CB 3.09Å; E554-R558 PolarHBondContact O-N 2.94Å; E554-R558 VanDerWaalsContact O-N 3.14Å
555R93.8Very high90.6Very high127 Ų127104.1 Ų104.148%0.47950%0.501SS..Hα-helixtrans-65.7-54.1173.4-178.4177.571.5174.96.4111.3R551 E552 T553 V557 R558 E559R551-R555 WeakPolarHBondContact O-CB 3.27Å; R551-R555 PolarHBondContact O-N 3.34Å; E552-R555 PolarHBondContact O-N 2.88Å; E552-R555 IonicContact OE1-CZ 3.54Å; E552-R555 IonicContact OE1-NE 3.52Å; E552-R555 PolarHBondContact OE1-NE 3.2Å; E552-R555 IonicContact OE1-NH2 3.79Å; E552-R555 PolarHBondContact OE1-NH2 3.5Å; E552-R555 IonicContact OE2-CZ 2.86Å; E552-R555 IonicContact OE2-NE 2.67Å; E552-R555 PolarHBondContact OE2-NE 2.81Å; E552-R555 IonicContact OE2-NH1 3.76Å; E552-R555 IonicContact OE2-NH2 2.78Å; E552-R555 PolarHBondContact OE2-NH2 3.38Å; T553-R555 VanDerWaalsContact C-N 3.35Å; T553-R555 PolarHBondContact O-N 3.26Å; R555-V557 VanDerWaalsContact C-N 3.29Å; R555-V557 PolarHBondContact O-N 2.9Å; R555-R558 WeakPolarHBondContact O-CB 3.49Å; R555-R558 PolarHBondContact O-N 3.01Å; R555-E559 WeakPolarHBondContact CD-OE1 3.34Å; R555-E559 HydrophobicContact CG-CG 4.42Å; R555-E559 VanDerWaalsContact CG-OE1 3.26Å; R555-E559 WeakPolarHBondContact CG-OE1 3.34Å; R555-E559 IonicContact NE-OE1 2.72Å; R555-E559 PolarHBondContact O-N 3.36Å
556V94.2Very high91Very high75 Ų75100.4 Ų100.446%0.45549%0.492SS..Hα-helixtrans-59.8-39.3-178.9172.40000111.5E552 T553 A560E552-V556 WeakPolarHBondContact O-CG2 3.45Å; E552-V556 PolarHBondContact O-N 2.78Å; T553-V556 PolarHBondContact O-N 3.35Å; V556-A560 VanDerWaalsContact O-CB 3.3Å; V556-A560 WeakPolarHBondContact O-CB 3.47Å; V556-A560 PolarHBondContact O-N 2.94Å
557V93.9Very high91.5Very high78 Ų78100.2 Ų100.247%0.47349%0.493SS..Hα-helixtrans-64.9-39174.5169.20000111.7T553 R555 L561T553-V557 HydrophobicContact CG2-CG2 4.49Å; T553-V557 WeakPolarHBondContact O-CB 3.3Å; T553-V557 VanDerWaalsContact O-CG2 3.25Å; T553-V557 WeakPolarHBondContact O-CG2 3.44Å; T553-V557 PolarHBondContact O-N 2.81Å; R555-V557 VanDerWaalsContact C-N 3.29Å; R555-V557 PolarHBondContact O-N 2.9Å; V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 WeakPolarHBondContact O-CB 3.48Å; V557-L561 VanDerWaalsContact O-CG 3.28Å; V557-L561 WeakPolarHBondContact O-CG 3.37Å; V557-L561 PolarHBondContact O-N 3.46Å
558R92.3Very high91.8Very high151 Ų151103.7 Ų103.757%0.5750%0.504SS*.Hα-helixtrans-66.4-49177.1-170.8-176.9-54.11607.7111.8E554 R555 A560 L561 E562E554-R558 WeakPolarHBondContact O-CB 3.09Å; E554-R558 PolarHBondContact O-N 2.94Å; E554-R558 VanDerWaalsContact O-N 3.14Å; R555-R558 WeakPolarHBondContact O-CB 3.49Å; R555-R558 PolarHBondContact O-N 3.01Å; R558-A560 VanDerWaalsContact C-N 3.3Å; R558-A560 PolarHBondContact O-N 3.25Å; R558-L561 PolarHBondContact O-N 2.86Å; R558-L561 VanDerWaalsContact O-N 3.11Å; R558-E562 WeakPolarHBondContact CG-OE1 3.31Å; R558-E562 PolarHBondContact O-N 2.99Å
559E94.3Very high92.2Very high105 Ų105105.9 Ų105.949%0.49151%0.511SS..Hα-helixtrans-58.7-41.5177-71.1173.4-171.900111.4R555 L561 E562 K563R555-E559 WeakPolarHBondContact CD-OE1 3.34Å; R555-E559 HydrophobicContact CG-CG 4.42Å; R555-E559 VanDerWaalsContact CG-OE1 3.26Å; R555-E559 WeakPolarHBondContact CG-OE1 3.34Å; R555-E559 IonicContact NE-OE1 2.72Å; R555-E559 PolarHBondContact O-N 3.36Å; E559-L561 PolarHBondContact O-N 3.48Å; E559-E562 PolarHBondContact O-N 3.33Å; E559-K563 VanDerWaalsContact O-CB 3.28Å; E559-K563 WeakPolarHBondContact O-CB 3.47Å; E559-K563 PolarHBondContact O-N 2.86Å
560A92.9Very high92.5Very high58 Ų58104.1 Ų104.148%0.47950%0.499SS..Hα-helixtrans-63.5-39.7174.900000113V556 R558 L564V556-A560 VanDerWaalsContact O-CB 3.3Å; V556-A560 WeakPolarHBondContact O-CB 3.47Å; V556-A560 PolarHBondContact O-N 2.94Å; R558-A560 VanDerWaalsContact C-N 3.3Å; R558-A560 PolarHBondContact O-N 3.25Å; A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.4Å; A560-L564 PolarHBondContact O-N 2.89Å
561L90.8Very high92.7Very high89 Ų89104.2 Ų104.247%0.46650%0.501SS..Hα-helixtrans-73.3-28.6177.2-73.4171.3000113.6V557 R558 E559 R565V557-L561 HydrophobicContact CG1-CD1 4.04Å; V557-L561 WeakPolarHBondContact O-CB 3.48Å; V557-L561 VanDerWaalsContact O-CG 3.28Å; V557-L561 WeakPolarHBondContact O-CG 3.37Å; V557-L561 PolarHBondContact O-N 3.46Å; R558-L561 PolarHBondContact O-N 2.86Å; R558-L561 VanDerWaalsContact O-N 3.11Å; E559-L561 PolarHBondContact O-N 3.48Å; L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 3.41Å; L561-R565 PolarHBondContact O-NE 3.44Å; L561-R565 VanDerWaalsContact O-NE 3.09Å
562E93Very high92.9Very high109 Ų109104.4 Ų104.451%0.50951%0.506SS..Hα-helixtrans-75.5-45.2173.4-75.2170.7-166.600110.6R558 E559 L564 R565 A566R558-E562 WeakPolarHBondContact CG-OE1 3.31Å; R558-E562 PolarHBondContact O-N 2.99Å; E559-E562 PolarHBondContact O-N 3.33Å; E562-L564 PolarHBondContact O-N 2.86Å; E562-R565 WeakPolarHBondContact O-CB 3.43Å; E562-R565 PolarHBondContact O-N 3.3Å; E562-R565 VanDerWaalsContact O-N 3.17Å; E562-A566 PolarHBondContact O-N 3.14Å
563K95.3Very high92.9Very high132 Ų132107.9 Ų107.957%0.57452%0.516SS*.Hα-helixtrans-58-48.1173.4-178.8174.1172.9177.80112.3E559 R565 A566 E567E559-K563 VanDerWaalsContact O-CB 3.28Å; E559-K563 WeakPolarHBondContact O-CB 3.47Å; E559-K563 PolarHBondContact O-N 2.86Å; K563-R565 VanDerWaalsContact C-N 3.26Å; K563-R565 PolarHBondContact O-N 3.44Å; K563-A566 PolarHBondContact O-N 3.08Å; K563-E567 WeakPolarHBondContact CE-OE1 3.33Å; K563-E567 IonicContact NZ-OE1 2.85Å; K563-E567 WeakPolarHBondContact O-CG 3.46Å; K563-E567 PolarHBondContact O-N 3.09Å
564L94.3Very high93.2Very high95 Ų95108.3 Ų108.350%0.49751%0.513SS..Hα-helixtrans-61.8-34.7177.5-176.863.9000112.1A560 E562 M568A560-L564 VanDerWaalsContact O-CB 3.3Å; A560-L564 WeakPolarHBondContact O-CB 3.4Å; A560-L564 PolarHBondContact O-N 2.89Å; E562-L564 PolarHBondContact O-N 2.86Å; L564-M568 WeakPolarHBondContact O-CB 3.27Å; L564-M568 WeakPolarHBondContact O-CG 3.44Å; L564-M568 PolarHBondContact O-N 2.71Å
565R92.9Very high93.3Very high161 Ų161106.6 Ų106.661%0.60852%0.515SS*.Hα-helixtrans-67.4-43.8174.1-87.1-177.9-87-152.92.2112.2L561 E562 K563 M568 E569L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 WeakPolarHBondContact O-CG 3.4Å; L561-R565 PolarHBondContact O-N 3.41Å; L561-R565 PolarHBondContact O-NE 3.44Å; L561-R565 VanDerWaalsContact O-NE 3.09Å; E562-R565 WeakPolarHBondContact O-CB 3.43Å; E562-R565 PolarHBondContact O-N 3.3Å; E562-R565 VanDerWaalsContact O-N 3.17Å; K563-R565 VanDerWaalsContact C-N 3.26Å; K563-R565 PolarHBondContact O-N 3.44Å; R565-M568 PolarHBondContact O-N 2.99Å; R565-E569 WeakPolarHBondContact O-CB 3.26Å; R565-E569 PolarHBondContact O-N 3.41Å
566A93.4Very high93.2Very high59 Ų59104.5 Ų104.549%0.48852%0.516SS..Hα-helixtrans-63.3-41.9176.400000112.2E562 K563 E569 E570E562-A566 PolarHBondContact O-N 3.14Å; K563-A566 PolarHBondContact O-N 3.08Å; A566-E569 PolarHBondContact O-N 3.33Å; A566-E570 WeakPolarHBondContact O-CB 3.35Å; A566-E570 PolarHBondContact O-N 3.09Å
567E94.4Very high93.1Very high104 Ų104104.5 Ų104.549%0.48652%0.519SS..Hα-helixtrans-62.8-45.6175.8-72.4173.5175.700111.8K563 E569 E570 E571K563-E567 WeakPolarHBondContact CE-OE1 3.33Å; K563-E567 IonicContact NZ-OE1 2.85Å; K563-E567 WeakPolarHBondContact O-CG 3.46Å; K563-E567 PolarHBondContact O-N 3.09Å; E567-E569 PolarHBondContact O-N 3.18Å; E567-E570 PolarHBondContact O-N 2.95Å; E567-E571 WeakPolarHBondContact O-CB 3.37Å; E567-E571 PolarHBondContact O-N 3.4Å
568M93.9Very high93.1Very high113 Ų113107.9 Ų107.956%0.55753%0.527SS*.Hα-helixtrans-63.9-36.9175.4-75-67.7-57.100113.2L564 R565 K572L564-M568 WeakPolarHBondContact O-CB 3.27Å; L564-M568 WeakPolarHBondContact O-CG 3.44Å; L564-M568 PolarHBondContact O-N 2.71Å; R565-M568 PolarHBondContact O-N 2.99Å; M568-K572 VanDerWaalsContact O-CB 3.27Å; M568-K572 WeakPolarHBondContact O-CB 3.19Å; M568-K572 PolarHBondContact O-N 2.98Å
569E91.6Very high93.1Very high141 Ų141103.6 Ų103.666%0.65952%0.524SS*.Hα-helixtrans-70.7-40.8177.2-176.3164.6-160.200111.7R565 A566 E567 K572 R573R565-E569 WeakPolarHBondContact O-CB 3.26Å; R565-E569 PolarHBondContact O-N 3.41Å; A566-E569 PolarHBondContact O-N 3.33Å; E567-E569 PolarHBondContact O-N 3.18Å; E569-K572 PolarHBondContact O-N 3.17Å; E569-R573 WeakPolarHBondContact O-CB 3.37Å; E569-R573 PolarHBondContact O-N 3.48Å
570E93.7Very high93.1Very high68 Ų68102.6 Ų102.632%0.31853%0.525SS..Hα-helixtrans-65.8-43.3174.7176.854.6-15700111.8A566 E567 K572 R573 Q574A566-E570 WeakPolarHBondContact O-CB 3.35Å; A566-E570 PolarHBondContact O-N 3.09Å; E567-E570 PolarHBondContact O-N 2.95Å; E570-K572 PolarHBondContact O-N 2.9Å; E570-R573 WeakPolarHBondContact O-CB 3.3Å; E570-R573 PolarHBondContact O-N 3.47Å; E570-R573 IonicContact OE1-CZ 2.64Å; E570-R573 IonicContact OE1-NE 3.23Å; E570-R573 IonicContact OE1-NH2 3.87Å; E570-R573 PolarHBondContact OE1-NH2 3.04Å; E570-R573 IonicContact OE2-CZ 3.54Å; E570-R573 IonicContact OE2-NE 3.8Å; E570-R573 PolarHBondContact OE2-NE 3.48Å; E570-R573 IonicContact OE2-NH2 2.67Å; E570-R573 PolarHBondContact OE2-NH2 3.07Å; E570-Q574 WeakPolarHBondContact O-CG 3.18Å; E570-Q574 PolarHBondContact O-N 3.19Å; E570-Q574 WeakPolarHBondContact OE1-CG 3.35Å; E570-Q574 PolarHBondContact OE1-NE2 2.95Å
571E93.8Very high93.1Very high129 Ų129102.5 Ų102.560%0.60352%0.524SS*.Hα-helixtrans-60.5-45.5174.3-173.9178.4-169.800111.1E567 R573 Q574 A575E567-E571 WeakPolarHBondContact O-CB 3.37Å; E567-E571 PolarHBondContact O-N 3.4Å; E571-R573 VanDerWaalsContact C-N 3.33Å; E571-R573 PolarHBondContact O-N 3.38Å; E571-Q574 PolarHBondContact O-N 2.83Å; E571-A575 WeakPolarHBondContact O-CB 3.34Å; E571-A575 PolarHBondContact O-N 2.86Å
572K92.3Very high93.2Very high149 Ų149100.2 Ų100.265%0.64852%0.522SS*.Hα-helixtrans-58.2-43.7173.7178.5-174.6173.6-169.60111.6M568 E569 E570 A575 V576M568-K572 VanDerWaalsContact O-CB 3.27Å; M568-K572 WeakPolarHBondContact O-CB 3.19Å; M568-K572 PolarHBondContact O-N 2.98Å; E569-K572 PolarHBondContact O-N 3.17Å; E570-K572 PolarHBondContact O-N 2.9Å; K572-A575 PolarHBondContact O-N 3.22Å; K572-V576 WeakPolarHBondContact O-CG2 3.26Å; K572-V576 PolarHBondContact O-N 2.91Å
573R91.6Very high93.2Very high154 Ų15499.7 Ų99.758%0.58153%0.526SS*.Hα-helixtrans-63-42177.9-166.8-176.770.186.14.6111.4E569 E570 E571 S577E569-R573 WeakPolarHBondContact O-CB 3.37Å; E569-R573 PolarHBondContact O-N 3.48Å; E570-R573 WeakPolarHBondContact O-CB 3.3Å; E570-R573 PolarHBondContact O-N 3.47Å; E570-R573 IonicContact OE1-CZ 2.64Å; E570-R573 IonicContact OE1-NE 3.23Å; E570-R573 IonicContact OE1-NH2 3.87Å; E570-R573 PolarHBondContact OE1-NH2 3.04Å; E570-R573 IonicContact OE2-CZ 3.54Å; E570-R573 IonicContact OE2-NE 3.8Å; E570-R573 PolarHBondContact OE2-NE 3.48Å; E570-R573 IonicContact OE2-NH2 2.67Å; E570-R573 PolarHBondContact OE2-NH2 3.07Å; E571-R573 VanDerWaalsContact C-N 3.33Å; E571-R573 PolarHBondContact O-N 3.38Å; R573-S577 WeakPolarHBondContact O-CB 3.49Å; R573-S577 PolarHBondContact O-N 3.2Å
574Q94.1Very high92.8Very high85 Ų8599.8 Ų99.840%0.39753%0.529SS..Hα-helixtrans-66.8-40.6175-69.7-17824.600112.6E570 E571 S577 K578E570-Q574 WeakPolarHBondContact O-CG 3.18Å; E570-Q574 PolarHBondContact O-N 3.19Å; E570-Q574 WeakPolarHBondContact OE1-CG 3.35Å; E570-Q574 PolarHBondContact OE1-NE2 2.95Å; E571-Q574 PolarHBondContact O-N 2.83Å; Q574-S577 PolarHBondContact O-N 3Å; Q574-K578 WeakPolarHBondContact O-CB 3.36Å; Q574-K578 WeakPolarHBondContact O-CG 3.41Å; Q574-K578 PolarHBondContact O-N 3.27Å
575A92.4Very high92.7Very high57 Ų5796.8 Ų96.847%0.47152%0.518SS..Hα-helixtrans-63.4-45.5176.300000111.8E571 K572 K578 A579E571-A575 WeakPolarHBondContact O-CB 3.34Å; E571-A575 PolarHBondContact O-N 2.86Å; K572-A575 PolarHBondContact O-N 3.22Å; A575-K578 PolarHBondContact O-N 2.98Å; A575-A579 WeakPolarHBondContact O-CB 3.22Å; A575-A579 PolarHBondContact O-N 2.86Å
576V92.5Very high92.7Very high83 Ų8393.6 Ų93.650%0.50351%0.51SS..Hα-helixtrans-61.7-45.6174.5171.20000111K572 K578 A579 V580K572-V576 WeakPolarHBondContact O-CG2 3.26Å; K572-V576 PolarHBondContact O-N 2.91Å; V576-K578 PolarHBondContact O-N 2.88Å; V576-A579 PolarHBondContact O-N 3.18Å; V576-V580 HydrophobicContact CG1-CG2 4.28Å; V576-V580 WeakPolarHBondContact O-CG2 3.41Å; V576-V580 PolarHBondContact O-N 2.98Å
577S91.9Very high92.7Very high74 Ų7497.1 Ų97.152%0.51752%0.518SS..Hα-helixtrans-58.2-46.3177.3-1780000112.3R573 Q574 A579 V580 A581R573-S577 WeakPolarHBondContact O-CB 3.49Å; R573-S577 PolarHBondContact O-N 3.2Å; Q574-S577 PolarHBondContact O-N 3Å; S577-A579 PolarHBondContact O-N 3.49Å; S577-V580 PolarHBondContact O-N 3.14Å; S577-A581 WeakPolarHBondContact O-CB 3.46Å; S577-A581 PolarHBondContact O-N 3.35Å
578K94.8Very high92.4Very high149 Ų14998.9 Ų98.965%0.64853%0.526SS*.Hα-helixtrans-62.2-42175.6-72.7168.6-177.5168.10112.3Q574 A575 V576 G582Q574-K578 WeakPolarHBondContact O-CB 3.36Å; Q574-K578 WeakPolarHBondContact O-CG 3.41Å; Q574-K578 PolarHBondContact O-N 3.27Å; A575-K578 PolarHBondContact O-N 2.98Å; V576-K578 PolarHBondContact O-N 2.88Å; K578-G582 PolarHBondContact O-N 3.07Å
579A92.3Very high92.5Very high62 Ų62101.3 Ų101.351%0.51253%0.529SS..Hα-helixtrans-64.5-45.6177.300000112.1A575 V576 S577 G582 V583A575-A579 WeakPolarHBondContact O-CB 3.22Å; A575-A579 PolarHBondContact O-N 2.86Å; V576-A579 PolarHBondContact O-N 3.18Å; S577-A579 PolarHBondContact O-N 3.49Å; A579-G582 PolarHBondContact O-N 3.04Å; A579-V583 WeakPolarHBondContact O-CG2 3.2Å; A579-V583 PolarHBondContact O-N 3.35Å
580V92.3Very high92.5Very high84 Ų8499.7 Ų99.751%0.50952%0.52SS..Hα-helixtrans-61.6-45.9176.8171.30000111.1V576 S577 G582 V583 Q584V576-V580 HydrophobicContact CG1-CG2 4.28Å; V576-V580 WeakPolarHBondContact O-CG2 3.41Å; V576-V580 PolarHBondContact O-N 2.98Å; S577-V580 PolarHBondContact O-N 3.14Å; V580-G582 VanDerWaalsContact C-N 3.31Å; V580-G582 PolarHBondContact O-N 2.99Å; V580-V583 PolarHBondContact O-N 2.99Å; V580-Q584 VanDerWaalsContact O-CB 3.3Å; V580-Q584 WeakPolarHBondContact O-CB 3.13Å; V580-Q584 PolarHBondContact O-N 3.26Å
581A92.9Very high92.3Very high55 Ų55100.4 Ų100.446%0.45553%0.531SS..Hα-helixtrans-61.3-38.6176.300000112.4S577 A585S577-A581 WeakPolarHBondContact O-CB 3.46Å; S577-A581 PolarHBondContact O-N 3.35Å; A581-A585 WeakPolarHBondContact O-CB 3.46Å; A581-A585 PolarHBondContact O-N 3.29Å
582G93.6Very high92.2Very high41 Ų41101.3 Ų101.342%0.42353%0.533SS..Hα-helixtrans-61.5-51174.400000112.7K578 A579 V580 Q584 A585 E586K578-G582 PolarHBondContact O-N 3.07Å; A579-G582 PolarHBondContact O-N 3.04Å; V580-G582 VanDerWaalsContact C-N 3.31Å; V580-G582 PolarHBondContact O-N 2.99Å; G582-Q584 VanDerWaalsContact C-N 3.35Å; G582-Q584 PolarHBondContact O-N 3.4Å; G582-A585 PolarHBondContact O-N 2.85Å; G582-E586 PolarHBondContact O-N 3.37Å
583V92.8Very high92.3Very high98 Ų98101.1 Ų101.159%0.59454%0.535SS*.Hα-helixtrans-62.1-41.4177.2172.80000111.3A579 V580 E586 M587A579-V583 WeakPolarHBondContact O-CG2 3.2Å; A579-V583 PolarHBondContact O-N 3.35Å; V580-V583 PolarHBondContact O-N 2.99Å; V583-E586 PolarHBondContact O-N 3.24Å; V583-M587 WeakPolarHBondContact O-CB 3.44Å; V583-M587 PolarHBondContact O-N 3.44Å
584Q86.8Confident92.4Very high134 Ų13498.5 Ų98.563%0.62654%0.535SS*.Hα-helixtrans-63.5-43.6178.1-174.5171.5-6.900111.8V580 G582 E586 M587 E588V580-Q584 VanDerWaalsContact O-CB 3.3Å; V580-Q584 WeakPolarHBondContact O-CB 3.13Å; V580-Q584 PolarHBondContact O-N 3.26Å; G582-Q584 VanDerWaalsContact C-N 3.35Å; G582-Q584 PolarHBondContact O-N 3.4Å; Q584-E586 VanDerWaalsContact C-N 3.35Å; Q584-E586 PolarHBondContact O-N 2.84Å; Q584-M587 PolarHBondContact O-N 2.95Å; Q584-E588 PolarHBondContact O-N 3.49Å
585A93.3Very high92.1Very high33 Ų33101.5 Ų101.527%0.27355%0.547SS..Hα-helixtrans-67-33.5175.300000112.6A581 G582 R589A581-A585 WeakPolarHBondContact O-CB 3.46Å; A581-A585 PolarHBondContact O-N 3.29Å; G582-A585 PolarHBondContact O-N 2.85Å; A585-R589 WeakPolarHBondContact O-CG 3.4Å; A585-R589 PolarHBondContact O-N 3.22Å; A585-R589 PolarHBondContact O-NH1 3.41Å
586E92.8Very high92Very high94 Ų94102.5 Ų102.544%0.43954%0.542SS..Hα-helixtrans-67.3-44.2172.7-164.6-172149.800111.6G582 V583 Q584 E588 R589 K590G582-E586 PolarHBondContact O-N 3.37Å; V583-E586 PolarHBondContact O-N 3.24Å; Q584-E586 VanDerWaalsContact C-N 3.35Å; Q584-E586 PolarHBondContact O-N 2.84Å; E586-E588 VanDerWaalsContact C-N 3.35Å; E586-E588 PolarHBondContact O-N 2.97Å; E586-R589 PolarHBondContact O-N 3.22Å; E586-K590 PolarHBondContact O-N 2.97Å; E586-K590 WeakPolarHBondContact OE1-CE 3.45Å; E586-K590 IonicContact OE1-NZ 2.71Å; E586-K590 PolarHBondContact OE1-NZ 2.95Å
587M92.3Very high92.1Very high132 Ų132104.2 Ų104.265%0.6554%0.543SS*.Hα-helixtrans-60.4-42.3176.6-170.363157.900111.8V583 Q584 K590 C591V583-M587 WeakPolarHBondContact O-CB 3.44Å; V583-M587 PolarHBondContact O-N 3.44Å; Q584-M587 PolarHBondContact O-N 2.95Å; M587-K590 PolarHBondContact O-N 3.41Å; M587-C591 VanDerWaalsContact O-CB 3.3Å; M587-C591 WeakPolarHBondContact O-CB 3.16Å; M587-C591 PolarHBondContact O-N 2.93Å
588E90.1Very high92Very high141 Ų141104.2 Ų104.266%0.65954%0.542SS*.Hα-helixtrans-63.4-43175.8-170.1-178.4176.900112.1Q584 E586 C591 K592Q584-E588 PolarHBondContact O-N 3.49Å; E586-E588 VanDerWaalsContact C-N 3.35Å; E586-E588 PolarHBondContact O-N 2.97Å; E588-C591 PolarHBondContact O-N 3.34Å; E588-K592 WeakPolarHBondContact O-CB 3.27Å; E588-K592 PolarHBondContact O-N 2.85Å
589R94.1Very high91.7Very high164 Ų164102.5 Ų102.562%0.61953%0.534SS*.Hα-helixtrans-61-45.9175.1-70.9-179.4-156.299.1-8.7111.8A585 E586 K592 Q593A585-R589 WeakPolarHBondContact O-CG 3.4Å; A585-R589 PolarHBondContact O-N 3.22Å; A585-R589 PolarHBondContact O-NH1 3.41Å; E586-R589 PolarHBondContact O-N 3.22Å; R589-K592 PolarHBondContact O-N 2.77Å; R589-Q593 WeakPolarHBondContact O-CB 3.32Å; R589-Q593 PolarHBondContact O-N 2.72Å
590K92.5Very high91.8Very high107 Ų107105.7 Ų105.747%0.46554%0.539SS..Hα-helixtrans-62.6-43.9176.8-72.2179.5-176170.70111.6E586 M587 K592 Q593 V594E586-K590 PolarHBondContact O-N 2.97Å; E586-K590 WeakPolarHBondContact OE1-CE 3.45Å; E586-K590 IonicContact OE1-NZ 2.71Å; E586-K590 PolarHBondContact OE1-NZ 2.95Å; M587-K590 PolarHBondContact O-N 3.41Å; K590-K592 PolarHBondContact O-N 2.84Å; K590-Q593 PolarHBondContact O-N 2.88Å; K590-V594 WeakPolarHBondContact O-CG2 3.27Å; K590-V594 PolarHBondContact O-N 3.19Å
591C89.3Confident91.8Very high84 Ų84106.6 Ų106.657%0.56854%0.538SS*.Hα-helixtrans-58.4-46.2175.3-176.90000111.8M587 E588 Q593 V594 K595M587-C591 VanDerWaalsContact O-CB 3.3Å; M587-C591 WeakPolarHBondContact O-CB 3.16Å; M587-C591 PolarHBondContact O-N 2.93Å; E588-C591 PolarHBondContact O-N 3.34Å; C591-Q593 PolarHBondContact O-N 3.25Å; C591-V594 PolarHBondContact O-N 2.86Å; C591-K595 WeakPolarHBondContact O-CB 3.41Å; C591-K595 PolarHBondContact O-N 3.42Å
592K92.4Very high91.7Very high148 Ų148109.3 Ų109.364%0.64354%0.544SS*.Hα-helixtrans-63.2-40.9177.1-167.3174.7-176177.10112.4E588 R589 K590 K595 E596E588-K592 WeakPolarHBondContact O-CB 3.27Å; E588-K592 PolarHBondContact O-N 2.85Å; R589-K592 PolarHBondContact O-N 2.77Å; K590-K592 PolarHBondContact O-N 2.84Å; K592-K595 PolarHBondContact O-N 3.47Å; K592-E596 PolarHBondContact O-N 3.41Å; K592-E596 VanDerWaalsContact O-N 3.08Å
593Q93.9Very high91.7Very high144 Ų144110.7 Ų110.767%0.67354%0.544SS*.Hα-helixtrans-63.9-47.4176.5-173.3179.722.300112.1R589 K590 C591 K595 E596 K597R589-Q593 WeakPolarHBondContact O-CB 3.32Å; R589-Q593 PolarHBondContact O-N 2.72Å; K590-Q593 PolarHBondContact O-N 2.88Å; C591-Q593 PolarHBondContact O-N 3.25Å; Q593-K595 VanDerWaalsContact C-N 3.3Å; Q593-K595 PolarHBondContact O-N 3.03Å; Q593-E596 PolarHBondContact O-N 2.92Å; Q593-K597 WeakPolarHBondContact O-CB 3.5Å; Q593-K597 PolarHBondContact O-N 3.41Å
594V92.8Very high91.8Very high99 Ų99111 Ų11160%0.654%0.539SS*.Hα-helixtrans-61.5-39.9176.6171.30000111K590 C591 K597 C598K590-V594 WeakPolarHBondContact O-CG2 3.27Å; K590-V594 PolarHBondContact O-N 3.19Å; C591-V594 PolarHBondContact O-N 2.86Å; V594-K597 PolarHBondContact O-N 2.94Å; V594-C598 VanDerWaalsContact O-CB 3.27Å; V594-C598 WeakPolarHBondContact O-CB 3.33Å; V594-C598 PolarHBondContact O-N 3.48Å
595K87.4Confident92.1Very high149 Ų149108.6 Ų108.665%0.64853%0.528SS*.Hα-helixtrans-64-44.9178.6-174.6174.5-178.9174.70113C591 K592 Q593 K599C591-K595 WeakPolarHBondContact O-CB 3.41Å; C591-K595 PolarHBondContact O-N 3.42Å; K592-K595 PolarHBondContact O-N 3.47Å; Q593-K595 VanDerWaalsContact C-N 3.3Å; Q593-K595 PolarHBondContact O-N 3.03Å; K595-K599 WeakPolarHBondContact O-CB 3.42Å; K595-K599 PolarHBondContact O-N 3.42Å; K595-K599 VanDerWaalsContact O-N 3.12Å
596E92.2Very high92.1Very high77 Ų77110.6 Ų110.636%0.3654%0.536SS..Hα-helixtrans-69.8-39.7176.4-66.2-58.813300111.5K592 Q593 C598 K599 E600K592-E596 PolarHBondContact O-N 3.41Å; K592-E596 VanDerWaalsContact O-N 3.08Å; Q593-E596 PolarHBondContact O-N 2.92Å; E596-C598 PolarHBondContact O-N 2.93Å; E596-K599 WeakPolarHBondContact O-CB 3.46Å; E596-K599 PolarHBondContact O-N 3.04Å; E596-K599 VanDerWaalsContact O-N 3.17Å; E596-K599 IonicContact OE1-NZ 2.91Å; E596-K599 IonicContact OE2-NZ 2.66Å; E596-K599 PolarHBondContact OE2-NZ 2.92Å; E596-E600 WeakPolarHBondContact O-CG 3.35Å; E596-E600 PolarHBondContact O-N 2.96Å
597K93.4Very high92.2Very high120 Ų120111.5 Ų111.552%0.52254%0.539SS..Hα-helixtrans-59.9-46.6175.3-168-179.8-171-94.70112.5Q593 V594 K599 E600 E601Q593-K597 WeakPolarHBondContact O-CB 3.5Å; Q593-K597 PolarHBondContact O-N 3.41Å; V594-K597 PolarHBondContact O-N 2.94Å; K597-K599 VanDerWaalsContact C-N 3.28Å; K597-K599 PolarHBondContact O-N 3.03Å; K597-E600 PolarHBondContact O-N 3.37Å; K597-E601 WeakPolarHBondContact CE-OE1 3.4Å; K597-E601 IonicContact NZ-OE1 3.99Å; K597-E601 PolarHBondContact NZ-OE1 3.48Å; K597-E601 WeakPolarHBondContact O-CG 3.37Å; K597-E601 PolarHBondContact O-N 3.18Å
598C89.9Confident92.3Very high74 Ų74110 Ų11050%0.553%0.529SS..Hα-helixtrans-61.6-36.6176.2177.40000112.2V594 E596 L602V594-C598 VanDerWaalsContact O-CB 3.27Å; V594-C598 WeakPolarHBondContact O-CB 3.33Å; V594-C598 PolarHBondContact O-N 3.48Å; E596-C598 PolarHBondContact O-N 2.93Å; C598-L602 VanDerWaalsContact O-CB 3.29Å; C598-L602 WeakPolarHBondContact O-CB 3.39Å; C598-L602 PolarHBondContact O-N 3.17Å
599K89.6Confident92.4Very high112 Ų112107.8 Ų107.849%0.48752%0.521SS..Hα-helixtrans-69.1-37.5175174.2-174.6162.3-154.70112.5K595 E596 K597 V603K595-K599 WeakPolarHBondContact O-CB 3.42Å; K595-K599 PolarHBondContact O-N 3.42Å; K595-K599 VanDerWaalsContact O-N 3.12Å; E596-K599 WeakPolarHBondContact O-CB 3.46Å; E596-K599 PolarHBondContact O-N 3.04Å; E596-K599 VanDerWaalsContact O-N 3.17Å; E596-K599 IonicContact OE1-NZ 2.91Å; E596-K599 IonicContact OE2-NZ 2.66Å; E596-K599 PolarHBondContact OE2-NZ 2.92Å; K597-K599 VanDerWaalsContact C-N 3.28Å; K597-K599 PolarHBondContact O-N 3.03Å; K599-V603 WeakPolarHBondContact O-CB 3.22Å; K599-V603 VanDerWaalsContact O-CG2 3.27Å; K599-V603 WeakPolarHBondContact O-CG2 3.49Å; K599-V603 PolarHBondContact O-N 3.33Å
600E93.4Very high92.4Very high129 Ų129103.3 Ų103.360%0.60351%0.512SS*.Hα-helixtrans-65.7-48172.7-72.1173.7169.500111.3E596 K597 L602 V603 E604E596-E600 WeakPolarHBondContact O-CG 3.35Å; E596-E600 PolarHBondContact O-N 2.96Å; K597-E600 PolarHBondContact O-N 3.37Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 PolarHBondContact O-N 3.3Å; E600-V603 PolarHBondContact O-N 3.19Å; E600-V603 VanDerWaalsContact O-N 3.11Å; E600-E604 PolarHBondContact O-N 3.38Å
601E92.3Very high92.4Very high104 Ų104100.9 Ų100.949%0.48651%0.511SS..Hα-helixtrans-57.7-43.9175.5-72.3168.9-177.300111.7K597 V603 E604 E605K597-E601 WeakPolarHBondContact CE-OE1 3.4Å; K597-E601 IonicContact NZ-OE1 3.99Å; K597-E601 PolarHBondContact NZ-OE1 3.48Å; K597-E601 WeakPolarHBondContact O-CG 3.37Å; K597-E601 PolarHBondContact O-N 3.18Å; E601-V603 PolarHBondContact O-N 2.89Å; E601-E604 PolarHBondContact O-N 2.9Å; E601-E605 PolarHBondContact O-N 3.5Å
602L90.1Very high92.7Very high112 Ų112101.2 Ų101.259%0.58651%0.505SS*.Hα-helixtrans-62.6-40.3174.5179.562.8000112.4C598 E600 E605 V606C598-L602 VanDerWaalsContact O-CB 3.29Å; C598-L602 WeakPolarHBondContact O-CB 3.39Å; C598-L602 PolarHBondContact O-N 3.17Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 PolarHBondContact O-N 3.3Å; L602-E605 PolarHBondContact O-N 3.11Å; L602-V606 HydrophobicContact CD1-CG2 4.29Å; L602-V606 WeakPolarHBondContact O-CB 3.49Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.3Å; L602-V606 PolarHBondContact O-N 2.92Å
603V93.8Very high92.7Very high70 Ų7099.7 Ų99.742%0.42450%0.5SS..Hα-helixtrans-66.3-39.6178.1164.30000111.4K599 E600 E601 K607K599-V603 WeakPolarHBondContact O-CB 3.22Å; K599-V603 VanDerWaalsContact O-CG2 3.27Å; K599-V603 WeakPolarHBondContact O-CG2 3.49Å; K599-V603 PolarHBondContact O-N 3.33Å; E600-V603 PolarHBondContact O-N 3.19Å; E600-V603 VanDerWaalsContact O-N 3.11Å; E601-V603 PolarHBondContact O-N 2.89Å; V603-K607 HydrophobicContact CG1-CD 4.3Å; V603-K607 VanDerWaalsContact O-CG 3.3Å; V603-K607 WeakPolarHBondContact O-CG 3.38Å; V603-K607 PolarHBondContact O-N 3.14Å
604E95.1Very high92.8Very high105 Ų10599.6 Ų99.649%0.49150%0.497SS..Hα-helixtrans-68.5-41.7174.9-69-49.6133.400112.7E600 E601 V606 K607 K608E600-E604 PolarHBondContact O-N 3.38Å; E601-E604 PolarHBondContact O-N 2.9Å; E604-V606 VanDerWaalsContact C-N 3.34Å; E604-V606 PolarHBondContact O-N 3.01Å; E604-K607 WeakPolarHBondContact O-CB 3.49Å; E604-K607 PolarHBondContact O-N 3.21Å; E604-K607 IonicContact OE1-NZ 3.03Å; E604-K607 PolarHBondContact OE1-NZ 2.9Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 IonicContact OE2-NZ 2.76Å; E604-K608 WeakPolarHBondContact O-CB 3.33Å; E604-K608 PolarHBondContact O-N 3.48Å
605E92.9Very high92.8Very high83 Ų83100.4 Ų100.439%0.38849%0.494SS..Hα-helixtrans-66.5-36.9176.5-165.259.8-149.900111.5E601 L602 K608 L609E601-E605 PolarHBondContact O-N 3.5Å; L602-E605 PolarHBondContact O-N 3.11Å; E605-K608 PolarHBondContact O-N 3.07Å; E605-K608 IonicContact OE1-NZ 3.79Å; E605-K608 PolarHBondContact OE1-NZ 3.48Å; E605-K608 IonicContact OE2-NZ 3.08Å; E605-K608 PolarHBondContact OE2-NZ 2.92Å; E605-L609 HydrophobicContact CG-CD1 4.49Å; E605-L609 WeakPolarHBondContact O-CB 3.42Å; E605-L609 VanDerWaalsContact O-CG 3.31Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.15Å
606V93.7Very high93.1Very high75 Ų7598 Ų9846%0.45549%0.488SS..Hα-helixtrans-62.7-42.3171.3168.60000111.7L602 E604 K608 L609 V610L602-V606 HydrophobicContact CD1-CG2 4.29Å; L602-V606 WeakPolarHBondContact O-CB 3.49Å; L602-V606 VanDerWaalsContact O-CG2 3.25Å; L602-V606 WeakPolarHBondContact O-CG2 3.3Å; L602-V606 PolarHBondContact O-N 2.92Å; E604-V606 VanDerWaalsContact C-N 3.34Å; E604-V606 PolarHBondContact O-N 3.01Å; V606-K608 VanDerWaalsContact C-N 3.35Å; V606-K608 PolarHBondContact O-N 2.9Å; V606-L609 PolarHBondContact O-N 3.23Å; V606-V610 HydrophobicContact CG1-CG2 4.49Å; V606-V610 WeakPolarHBondContact O-CB 3.41Å; V606-V610 VanDerWaalsContact O-CG2 3.28Å; V606-V610 WeakPolarHBondContact O-CG2 2.82Å; V606-V610 PolarHBondContact O-N 2.81Å
607K95.3Very high93.1Very high112 Ų11297.4 Ų97.449%0.48749%0.486SS..Hα-helixtrans-60.4-44.1174.2-75.9166.5-179.7174.90111.5V603 E604 V610 A611V603-K607 HydrophobicContact CG1-CD 4.3Å; V603-K607 VanDerWaalsContact O-CG 3.3Å; V603-K607 WeakPolarHBondContact O-CG 3.38Å; V603-K607 PolarHBondContact O-N 3.14Å; E604-K607 WeakPolarHBondContact O-CB 3.49Å; E604-K607 PolarHBondContact O-N 3.21Å; E604-K607 IonicContact OE1-NZ 3.03Å; E604-K607 PolarHBondContact OE1-NZ 2.9Å; E604-K607 WeakPolarHBondContact OE2-CD 3.28Å; E604-K607 IonicContact OE2-NZ 2.76Å; K607-V610 PolarHBondContact O-N 3.47Å; K607-A611 WeakPolarHBondContact O-CB 3.39Å; K607-A611 PolarHBondContact O-N 3.28Å
608K94.6Very high93.1Very high102 Ų10294.4 Ų94.444%0.44348%0.48SS..Hα-helixtrans-62.8-46.5178.1178.2169.7155-121.50111.9E604 E605 V606 V610 A611 Q612E604-K608 WeakPolarHBondContact O-CB 3.33Å; E604-K608 PolarHBondContact O-N 3.48Å; E605-K608 PolarHBondContact O-N 3.07Å; E605-K608 IonicContact OE1-NZ 3.79Å; E605-K608 PolarHBondContact OE1-NZ 3.48Å; E605-K608 IonicContact OE2-NZ 3.08Å; E605-K608 PolarHBondContact OE2-NZ 2.92Å; V606-K608 VanDerWaalsContact C-N 3.35Å; V606-K608 PolarHBondContact O-N 2.9Å; K608-V610 PolarHBondContact O-N 3.44Å; K608-A611 PolarHBondContact O-N 3.35Å; K608-Q612 WeakPolarHBondContact O-CB 3.39Å; K608-Q612 WeakPolarHBondContact O-CG 3.34Å; K608-Q612 PolarHBondContact O-N 3.2Å
609L91.6Very high93.3Very high93 Ų9395.5 Ų95.549%0.48748%0.478SS..Hα-helixtrans-60.7-42.2173.6-72170.8000112.1E605 V606 A611 Q612 H613E605-L609 HydrophobicContact CG-CD1 4.49Å; E605-L609 WeakPolarHBondContact O-CB 3.42Å; E605-L609 VanDerWaalsContact O-CG 3.31Å; E605-L609 WeakPolarHBondContact O-CG 3.44Å; E605-L609 PolarHBondContact O-N 3.15Å; V606-L609 PolarHBondContact O-N 3.23Å; L609-A611 VanDerWaalsContact C-N 3.35Å; L609-A611 PolarHBondContact O-N 3.39Å; L609-Q612 PolarHBondContact O-N 3.35Å; L609-H613 VanDerWaalsContact O-CB 3.27Å; L609-H613 WeakPolarHBondContact O-CB 2.86Å; L609-H613 PolarHBondContact O-N 2.82Å
610V93.6Very high93.3Very high71 Ų7193.4 Ų93.443%0.4348%0.475SS..Hα-helixtrans-64.9-37.5175.5168.30000111.8V606 K607 K608 K614V606-V610 HydrophobicContact CG1-CG2 4.49Å; V606-V610 WeakPolarHBondContact O-CB 3.41Å; V606-V610 VanDerWaalsContact O-CG2 3.28Å; V606-V610 WeakPolarHBondContact O-CG2 2.82Å; V606-V610 PolarHBondContact O-N 2.81Å; K607-V610 PolarHBondContact O-N 3.47Å; K608-V610 PolarHBondContact O-N 3.44Å; V610-K614 HydrophobicContact CG1-CD 4.34Å; V610-K614 VanDerWaalsContact O-CG 3.3Å; V610-K614 WeakPolarHBondContact O-CG 3.5Å; V610-K614 PolarHBondContact O-N 3.28Å
611A94.1Very high93.3Very high55 Ų5595.4 Ų95.446%0.45548%0.482SS..Hα-helixtrans-67.3-47.3175.300000111.8K607 K608 L609 H613 K614 Q615K607-A611 WeakPolarHBondContact O-CB 3.39Å; K607-A611 PolarHBondContact O-N 3.28Å; K608-A611 PolarHBondContact O-N 3.35Å; L609-A611 VanDerWaalsContact C-N 3.35Å; L609-A611 PolarHBondContact O-N 3.39Å; A611-H613 PolarHBondContact O-N 3.32Å; A611-K614 PolarHBondContact O-N 3.28Å; A611-Q615 PolarHBondContact O-N 3.36Å
612Q93.9Very high93.3Very high92 Ų9298.6 Ų98.643%0.4349%0.494SS..Hα-helixtrans-59.2-45.1174.6-73176.4-1000111.6K608 L609 K614 Q615 L616K608-Q612 WeakPolarHBondContact O-CB 3.39Å; K608-Q612 WeakPolarHBondContact O-CG 3.34Å; K608-Q612 PolarHBondContact O-N 3.2Å; L609-Q612 PolarHBondContact O-N 3.35Å; Q612-K614 PolarHBondContact O-N 3.27Å; Q612-Q615 WeakPolarHBondContact O-CB 3.29Å; Q612-Q615 PolarHBondContact O-N 2.79Å; Q612-Q615 VanDerWaalsContact O-N 3.12Å; Q612-L616 WeakPolarHBondContact O-CG 3.27Å; Q612-L616 PolarHBondContact O-N 3.45Å
613H93.5Very high93.4Very high116 Ų11697.3 Ų97.354%0.53748%0.484SS..Hα-helixtrans-62.5-40.6177.5-17364.5000112.1L609 A611 Q615 L616 I617L609-H613 VanDerWaalsContact O-CB 3.27Å; L609-H613 WeakPolarHBondContact O-CB 2.86Å; L609-H613 PolarHBondContact O-N 2.82Å; A611-H613 PolarHBondContact O-N 3.32Å; H613-Q615 VanDerWaalsContact C-N 3.35Å; H613-Q615 PolarHBondContact O-N 2.97Å; H613-L616 PolarHBondContact O-N 2.97Å; H613-I617 WeakPolarHBondContact NE2-CD1 3.33Å; H613-I617 WeakPolarHBondContact O-CB 3.13Å; H613-I617 VanDerWaalsContact O-CG1 3.29Å; H613-I617 WeakPolarHBondContact O-CG1 3.3Å; H613-I617 PolarHBondContact O-N 2.98Å
614K94.8Very high93.2Very high141 Ų14199.6 Ų99.661%0.61349%0.49SS*.Hα-helixtrans-62.3-39.5171.9-75.8171.5-179.41760112.4V610 A611 Q612 S618V610-K614 HydrophobicContact CG1-CD 4.34Å; V610-K614 VanDerWaalsContact O-CG 3.3Å; V610-K614 WeakPolarHBondContact O-CG 3.5Å; V610-K614 PolarHBondContact O-N 3.28Å; A611-K614 PolarHBondContact O-N 3.28Å; Q612-K614 PolarHBondContact O-N 3.27Å; K614-S618 WeakPolarHBondContact O-CB 3.48Å; K614-S618 PolarHBondContact O-N 3.39Å
615Q93.9Very high93.1Very high117 Ų11799.1 Ų99.155%0.54748%0.483SS..Hα-helixtrans-65.5-45.5176-179.8175.9-9.100111.5A611 Q612 H613 S618 Q619A611-Q615 PolarHBondContact O-N 3.36Å; Q612-Q615 WeakPolarHBondContact O-CB 3.29Å; Q612-Q615 PolarHBondContact O-N 2.79Å; Q612-Q615 VanDerWaalsContact O-N 3.12Å; H613-Q615 VanDerWaalsContact C-N 3.35Å; H613-Q615 PolarHBondContact O-N 2.97Å; Q615-S618 WeakPolarHBondContact O-CB 3.33Å; Q615-S618 PolarHBondContact O-N 3.32Å; Q615-S618 VanDerWaalsContact O-N 3.15Å; Q615-Q619 WeakPolarHBondContact O-CG 3.42Å; Q615-Q619 PolarHBondContact O-N 2.91Å
616L92.5Very high93.2Very high97 Ų9795.3 Ų95.351%0.50847%0.466SS..Hα-helixtrans-59.5-49.7175-70.9171.3000110.8Q612 H613 S618 Q619 T620Q612-L616 WeakPolarHBondContact O-CG 3.27Å; Q612-L616 PolarHBondContact O-N 3.45Å; H613-L616 PolarHBondContact O-N 2.97Å; L616-S618 PolarHBondContact O-N 2.98Å; L616-Q619 PolarHBondContact O-N 3.49Å; L616-Q619 VanDerWaalsContact O-N 3.12Å; L616-T620 WeakPolarHBondContact O-CB 3.49Å; L616-T620 PolarHBondContact O-N 3.4Å; L616-T620 PolarHBondContact O-OG1 2.75Å
617I92.5Very high93Very high65 Ų6598.5 Ų98.533%0.33347%0.471SS..Hα-helixtrans-54.6-41.5173.9-70.6166.7000111.6H613 T620 K621H613-I617 WeakPolarHBondContact NE2-CD1 3.33Å; H613-I617 WeakPolarHBondContact O-CB 3.13Å; H613-I617 VanDerWaalsContact O-CG1 3.29Å; H613-I617 WeakPolarHBondContact O-CG1 3.3Å; H613-I617 PolarHBondContact O-N 2.98Å; I617-T620 PolarHBondContact O-N 3.39Å; I617-K621 HydrophobicContact CG2-CD 3.94Å; I617-K621 HydrophobicContact CG2-CG 4.4Å; I617-K621 WeakPolarHBondContact O-CB 2.86Å; I617-K621 VanDerWaalsContact O-CG 3.3Å; I617-K621 WeakPolarHBondContact O-CG 3.43Å; I617-K621 PolarHBondContact O-N 2.92Å
618S95.2Very high92.8Very high57 Ų5796.3 Ų96.340%0.39946%0.464SS..Hα-helixtrans-66.6-41.3178.8-173.30000112.3K614 Q615 L616 K622K614-S618 WeakPolarHBondContact O-CB 3.48Å; K614-S618 PolarHBondContact O-N 3.39Å; Q615-S618 WeakPolarHBondContact O-CB 3.33Å; Q615-S618 PolarHBondContact O-N 3.32Å; Q615-S618 VanDerWaalsContact O-N 3.15Å; L616-S618 PolarHBondContact O-N 2.98Å; S618-K622 VanDerWaalsContact O-CG 3.3Å; S618-K622 WeakPolarHBondContact O-CG 3.28Å; S618-K622 PolarHBondContact O-N 2.83Å
619Q92.7Very high92.7Very high97 Ų9794 Ų9445%0.45346%0.461SS..Hα-helixtrans-65.4-44.4173.1-71.3174.1-14.300111.1Q615 L616 K621 K622Q615-Q619 WeakPolarHBondContact O-CG 3.42Å; Q615-Q619 PolarHBondContact O-N 2.91Å; L616-Q619 PolarHBondContact O-N 3.49Å; L616-Q619 VanDerWaalsContact O-N 3.12Å; Q619-K621 PolarHBondContact O-N 3.3Å; Q619-K622 PolarHBondContact O-N 3.13Å; Q619-K622 VanDerWaalsContact O-N 3.15Å
620T90.9Very high92.7Very high68 Ų6897.5 Ų97.542%0.41747%0.474SS..Hα-helixtrans-59.6-46.8178.3-60.30000111.2L616 I617 K622 K623 W625L616-T620 WeakPolarHBondContact O-CB 3.49Å; L616-T620 PolarHBondContact O-N 3.4Å; L616-T620 PolarHBondContact O-OG1 2.75Å; I617-T620 PolarHBondContact O-N 3.39Å; T620-K622 PolarHBondContact O-N 2.96Å; T620-K623 PolarHBondContact O-N 3.31Å; T620-W625 HydrophobicContact CG2-CH2 4.27Å; T620-W625 HydrophobicContact CG2-CZ2 3.53Å; T620-W625 WeakPolarHBondContact O-CZ2 3.3Å; T620-W625 PolarHBondContact O-NE1 3.48Å
621K92.3Very high92.7Very high172 Ų172100 Ų10075%0.74848%0.481SS*.Hα-helixtrans-67-13.9178.8-74.9179.8177.4-177.70115I617 Q619I617-K621 HydrophobicContact CG2-CD 3.94Å; I617-K621 HydrophobicContact CG2-CG 4.4Å; I617-K621 WeakPolarHBondContact O-CB 2.86Å; I617-K621 VanDerWaalsContact O-CG 3.3Å; I617-K621 WeakPolarHBondContact O-CG 3.43Å; I617-K621 PolarHBondContact O-N 2.92Å; Q619-K621 PolarHBondContact O-N 3.3Å
622K92.6Very high92.6Very high170 Ų170101.6 Ų101.674%0.73948%0.479SS*.Hα-helixtrans-87.6-14.4175.9-74.4171.4-179.3-174.50113.5S618 Q619 T620S618-K622 VanDerWaalsContact O-CG 3.3Å; S618-K622 WeakPolarHBondContact O-CG 3.28Å; S618-K622 PolarHBondContact O-N 2.83Å; Q619-K622 PolarHBondContact O-N 3.13Å; Q619-K622 VanDerWaalsContact O-N 3.15Å; T620-K622 PolarHBondContact O-N 2.96Å
623K91.4Very high92.5Very high86 Ų8698 Ų9837%0.37447%0.466SS..SBendtrans-96.3160.4-179.4-67.3178.8164.6-156.80111.4T620 W625 E632T620-K623 PolarHBondContact O-N 3.31Å; K623-W625 HydrophobicContact CB-CH2 4.35Å; K623-W625 HydrophobicContact CB-CZ2 3.57Å; K623-W625 HydrophobicContact CD-CH2 4.07Å; K623-W625 HydrophobicContact CD-CZ2 3.98Å; K623-W625 HydrophobicContact CG-CZ2 4.33Å; K623-W625 PolarHBondContact O-NE1 2.89Å; K623-E632 HydrophobicContact CD-CG 4.31Å; K623-E632 WeakPolarHBondContact CD-OE1 3.38Å; K623-E632 WeakPolarHBondContact CE-OE1 3.5Å; K623-E632 WeakPolarHBondContact CE-OE2 3.35Å; K623-E632 WeakPolarHBondContact CG-OE1 3.26Å; K623-E632 VanDerWaalsContact NZ-CD 3.27Å; K623-E632 IonicContact NZ-OE1 2.77Å; K623-E632 PolarHBondContact NZ-OE1 2.88Å; K623-E632 IonicContact NZ-OE2 3.55Å; K623-E632 PolarHBondContact NZ-OE2 3.38Å
624Q90.4Very high92.4Very high118 Ų11899.2 Ų99.255%0.55147%0.473SS*.  trans-95.4146.2168.2-68.2-64.4-59.200109A633Q624-A633 HydrophobicContact CB-CB 4.17Å; Q624-A633 PolarHBondContact O-N 3.02Å
625W93.6Very high92.1Very high94 Ų9497.6 Ų97.636%0.35646%0.464SS..BIsolated β-bridgetrans-122.1142.8-170-60.597.1000111.6T620 K623 Y627 E632T620-W625 HydrophobicContact CG2-CH2 4.27Å; T620-W625 HydrophobicContact CG2-CZ2 3.53Å; T620-W625 WeakPolarHBondContact O-CZ2 3.3Å; T620-W625 PolarHBondContact O-NE1 3.48Å; K623-W625 HydrophobicContact CB-CH2 4.35Å; K623-W625 HydrophobicContact CB-CZ2 3.57Å; K623-W625 HydrophobicContact CD-CH2 4.07Å; K623-W625 HydrophobicContact CD-CZ2 3.98Å; K623-W625 HydrophobicContact CG-CZ2 4.33Å; K623-W625 PolarHBondContact O-NE1 2.89Å; W625-Y627 PolarHBondContact O-N 2.95Å; W625-E632 HydrophobicContact CZ3-CB 4.4Å
626C93.6Very high91.8Very high3 Ų397.5 Ų97.52%0.0246%0.464CS..BIsolated β-bridgetrans-69.8119.5178.7-177.30000109.2N628 C629 E630 E631 S642 C644C626-N628 PolarHBondContact O-N 3.46Å; C626-N628 VanDerWaalsContact O-N 3.12Å; C626-C629 PolarHBondContact O-N 2.86Å; C626-E630 WeakPolarHBondContact O-CA 3.46Å; C626-E630 PolarHBondContact O-N 2.87Å; C626-E631 WeakPolarHBondContact CB-O 3.25Å; C626-E631 PolarHBondContact N-O 3.42Å; C626-S642 WeakPolarHBondContact CA-O 3.48Å; C626-C644 HydrophobicContact CB-CB 3.91Å; C626-C644 PolarHBondContact SG-N 3.43Å
627Y91.1Very high91.7Very high142 Ų14293.1 Ų93.156%0.55744%0.441SS*.THydrogen-bonded Turntrans-58.5-29.4-179.5-172.5-82.5000113.2W625 T641 S642 H652W625-Y627 PolarHBondContact O-N 2.95Å; Y627-T641 HydrophobicContact CG-CG2 4.43Å; Y627-S642 PolarHBondContact N-O 2.83Å; Y627-H652 AromaticContact CD1-CD2 3.92Å; Y627-H652 AromaticContact CD1-CE1 3.07Å; Y627-H652 WeakPolarHBondContact CD1-CE1 3.29Å; Y627-H652 AromaticContact CD1-CG 3.78Å; Y627-H652 AromaticContact CD1-ND1 3.22Å; Y627-H652 WeakPolarHBondContact CD1-ND1 3.31Å; Y627-H652 AromaticContact CD1-NE2 3.55Å; Y627-H652 AromaticContact CE1-CD2 3.88Å; Y627-H652 AromaticContact CE1-CE1 3.31Å; Y627-H652 WeakPolarHBondContact CE1-CE1 3.43Å; Y627-H652 AromaticContact CE1-ND1 3.87Å; Y627-H652 AromaticContact CE1-NE2 3.33Å; Y627-H652 VanDerWaalsContact CE1-NE2 3.33Å; Y627-H652 WeakPolarHBondContact CE1-NE2 3.21Å; Y627-H652 AromaticContact CG-CE1 3.53Å; Y627-H652 AromaticContact CG-ND1 3.7Å; Y627-H652 AromaticContact CZ-CE1 3.94Å
628N90.5Very high91.5Very high66 Ų6690.6 Ų90.635%0.35343%0.429SS..THydrogen-bonded Turntrans-88.1-29.4-172.7-166.672.6000114.1C626 C648 E651C626-N628 PolarHBondContact O-N 3.46Å; C626-N628 VanDerWaalsContact O-N 3.12Å; N628-C648 HydrophobicContact CB-CB 3.87Å; N628-E651 PolarHBondContact ND2-OE2 3.48Å
629C91.9Very high90.9Very high54 Ų5498.4 Ų98.437%0.36545%0.45SS..THydrogen-bonded Turntrans-145.810.2-169.3750000114.8C626 E631 C644C626-C629 PolarHBondContact O-N 2.86Å; C629-E631 PolarHBondContact O-N 3.19Å; C629-C644 PolarHBondContact SG-SG 3.15Å
630E92.1Very high90.6Very high166 Ų16699.8 Ų99.878%0.77646%0.46SS*.  trans59.58.2173.7-53.7-174.8172.600116.3C626C626-E630 WeakPolarHBondContact O-CA 3.46Å; C626-E630 PolarHBondContact O-N 2.87Å
631E92.4Very high90.6Very high124 Ų12497.1 Ų97.158%0.57944%0.444SS*.SBendtrans-73.3161.7169-73.7-6416600112.4C626 C629 A633 C644C626-E631 WeakPolarHBondContact CB-O 3.25Å; C626-E631 PolarHBondContact N-O 3.42Å; C629-E631 PolarHBondContact O-N 3.19Å; E631-A633 PolarHBondContact O-N 2.66Å; E631-C644 HydrophobicContact CB-CB 3.98Å
632E93Very high90.7Very high88 Ų8889.2 Ų89.241%0.41141%0.41SS..BIsolated β-bridgetrans-59.3126176.8-176.2164-157.100111.4K623 W625 C644K623-E632 HydrophobicContact CD-CG 4.31Å; K623-E632 WeakPolarHBondContact CD-OE1 3.38Å; K623-E632 WeakPolarHBondContact CE-OE1 3.5Å; K623-E632 WeakPolarHBondContact CE-OE2 3.35Å; K623-E632 WeakPolarHBondContact CG-OE1 3.26Å; K623-E632 VanDerWaalsContact NZ-CD 3.27Å; K623-E632 IonicContact NZ-OE1 2.77Å; K623-E632 PolarHBondContact NZ-OE1 2.88Å; K623-E632 IonicContact NZ-OE2 3.55Å; K623-E632 PolarHBondContact NZ-OE2 3.38Å; W625-E632 HydrophobicContact CZ3-CB 4.4Å; E632-C644 VanDerWaalsContact O-CB 3.3Å; E632-C644 WeakPolarHBondContact O-CB 3.38Å
633A92.6Very high90.7Very high18 Ų1881.2 Ų81.215%0.14938%0.375CS..PPolyproline II helixtrans-84.2126.8-175.800000112.1Q624 E631 Y643Q624-A633 HydrophobicContact CB-CB 4.17Å; Q624-A633 PolarHBondContact O-N 3.02Å; E631-A633 PolarHBondContact O-N 2.66Å; A633-Y643 WeakPolarHBondContact CA-O 3.25Å
634M90.8Very high90.9Very high141 Ų14178.1 Ų78.170%0.69537%0.365SS*.  trans-98-21.4176-52.1-162.2-6300112.5Y643 C644M634-Y643 PolarHBondContact N-O 3.37Å; M634-C644 VanDerWaalsContact CE-O 3.28Å; M634-C644 WeakPolarHBondContact CE-O 3.31Å
635Y87.2Confident91Very high106 Ų10674.2 Ų74.242%0.41635%0.35SS..EExtended strand (participates in β ladder)trans-120.9125.2-173.8-54.1-80.5000111S642 Y643 C644Y635-S642 CarbonylContact O-C 3.16Å; Y635-S642 VanDerWaalsContact O-CA 3.3Å; Y635-S642 WeakPolarHBondContact O-CA 3.4Å; Y635-Y643 PolarHBondContact N-O 3.04Å; Y635-Y643 PolarHBondContact O-N 2.86Å; Y635-C644 WeakPolarHBondContact CE2-O 3.44Å
636H89.3Confident91Very high116 Ų11674.4 Ų74.454%0.53736%0.357SS..EExtended strand (participates in β ladder)trans-97.1127.1176.3168.6-96000111.6C638 R663H636-C638 PolarHBondContact NE2-O 3.47Å; H636-R663 PolarHBondContact O-NH1 3.49Å; H636-R663 VanDerWaalsContact O-NH1 3.12Å
637C89.1Confident91Very high5 Ų581 Ų813%0.03439%0.386CS..EExtended strand (participates in β ladder)trans-96-60.1176.1-172.50000111.3T641 Y643 H657 C661 R663C637-T641 VanDerWaalsContact CB-O 3.28Å; C637-T641 WeakPolarHBondContact CB-O 3.34Å; C637-T641 PolarHBondContact N-O 3.42Å; C637-Y643 HydrophobicContact CB-CD2 4.18Å; C637-Y643 HydrophobicContact CB-CE2 3.71Å; C637-H657 PolarHBondContact SG-NE2 2.89Å; C637-H657 VanDerWaalsContact SG-NE2 3.44Å; C637-C661 VanDerWaalsContact SG-SG 3.69Å; C637-R663 WeakPolarHBondContact O-CD 3.01Å; C637-R663 PolarHBondContact O-NH1 3.32Å; C637-R663 VanDerWaalsContact O-NH1 3.11Å
638C88.4Confident91.1Very high11 Ų1174.9 Ų74.97%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-153.7173.4174.672.70000110.7H636 N640 T641 H657 R662 R663H636-C638 PolarHBondContact NE2-O 3.47Å; C638-N640 PolarHBondContact O-N 3.21Å; C638-T641 PolarHBondContact N-O 3.45Å; C638-T641 CarbonylContact O-C 3.59Å; C638-T641 PolarHBondContact O-N 2.89Å; C638-T641 VanDerWaalsContact O-O 3.1Å; C638-H657 VanDerWaalsContact SG-CE1 3.57Å; C638-R662 HydrophobicContact CB-CB 4.41Å; C638-R663 HydrophobicContact CB-CB 4.42Å
639W83.2Confident91.1Very high222 Ų22274.6 Ų74.684%0.84136%0.36SS*.THydrogen-bonded Turntrans-40.1-36-169.1175.3-96.4000117.3
640N86.1Confident91.2Very high126 Ų12677.3 Ų77.367%0.67437%0.367SS*.THydrogen-bonded Turntrans-119.922.2-177.8-157.375.4000113C638C638-N640 PolarHBondContact O-N 3.21Å
641T90.7Very high91.1Very high11 Ų1173.5 Ų73.57%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-151.6114.2-177.8-46.70000111.9Y627 C637 C638 Y643 H657Y627-T641 HydrophobicContact CG-CG2 4.43Å; C637-T641 VanDerWaalsContact CB-O 3.28Å; C637-T641 WeakPolarHBondContact CB-O 3.34Å; C637-T641 PolarHBondContact N-O 3.42Å; C638-T641 PolarHBondContact N-O 3.45Å; C638-T641 CarbonylContact O-C 3.59Å; C638-T641 PolarHBondContact O-N 2.89Å; C638-T641 VanDerWaalsContact O-O 3.1Å; T641-Y643 HydrophobicContact CG2-CE1 4.13Å; T641-Y643 HydrophobicContact CG2-CE2 3.93Å; T641-Y643 WeakPolarHBondContact CG2-OH 3.28Å; T641-H657 VanDerWaalsContact CB-CE1 3.46Å; T641-H657 WeakPolarHBondContact CB-CE1 3.3Å; T641-H657 PolarHBondContact OG1-CE1 3.26Å
642S93.8Very high91Very high7 Ų768.3 Ų68.35%0.04933%0.325CS..EExtended strand (participates in β ladder)trans-131.8161.5177.5-57.20000109.4C626 Y627 Y635C626-S642 WeakPolarHBondContact CA-O 3.48Å; Y627-S642 PolarHBondContact N-O 2.83Å; Y635-S642 CarbonylContact O-C 3.16Å; Y635-S642 VanDerWaalsContact O-CA 3.3Å; Y635-S642 WeakPolarHBondContact O-CA 3.4Å
643Y94.1Very high90.9Very high1 Ų167.9 Ų67.90%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-139.6145.5-172.9-57.5-74.2000112A633 M634 Y635 C637 T641 C648 Q649 H652 H657A633-Y643 WeakPolarHBondContact CA-O 3.25Å; M634-Y643 PolarHBondContact N-O 3.37Å; Y635-Y643 PolarHBondContact N-O 3.04Å; Y635-Y643 PolarHBondContact O-N 2.86Å; C637-Y643 HydrophobicContact CB-CD2 4.18Å; C637-Y643 HydrophobicContact CB-CE2 3.71Å; T641-Y643 HydrophobicContact CG2-CE1 4.13Å; T641-Y643 HydrophobicContact CG2-CE2 3.93Å; T641-Y643 WeakPolarHBondContact CG2-OH 3.28Å; Y643-C648 HydrophobicContact CD1-CB 4.45Å; Y643-Q649 HydrophobicContact CD1-CB 4.21Å; Y643-Q649 HydrophobicContact CD2-CB 3.61Å; Y643-Q649 HydrophobicContact CD2-CG 3.71Å; Y643-Q649 HydrophobicContact CE1-CB 4.48Å; Y643-Q649 HydrophobicContact CE2-CB 3.91Å; Y643-Q649 HydrophobicContact CE2-CG 3.62Å; Y643-Q649 HydrophobicContact CG-CB 3.75Å; Y643-Q649 HydrophobicContact CG-CG 4.36Å; Y643-H652 HydrophobicContact CE1-CB 3.73Å; Y643-H652 AromaticContact CE1-CG 3.98Å; Y643-H652 AromaticContact CE1-ND1 3.43Å; Y643-H652 WeakPolarHBondContact CE1-ND1 3.17Å; Y643-H652 AromaticContact CZ-ND1 3.58Å; Y643-H652 PolarHBondContact OH-ND1 2.86Å; Y643-H657 PolarHBondContact OH-CD2 3.29Å; Y643-H657 VanDerWaalsContact OH-CD2 3.31Å
644C94.4Very high90.8Very high22 Ų2273.8 Ų73.815%0.14934%0.344CS..SBendtrans-76.5-27171.165.10000112.4C626 C629 E631 E632 M634 Y635C626-C644 HydrophobicContact CB-CB 3.91Å; C626-C644 PolarHBondContact SG-N 3.43Å; C629-C644 PolarHBondContact SG-SG 3.15Å; E631-C644 HydrophobicContact CB-CB 3.98Å; E632-C644 VanDerWaalsContact O-CB 3.3Å; E632-C644 WeakPolarHBondContact O-CB 3.38Å; M634-C644 VanDerWaalsContact CE-O 3.28Å; M634-C644 WeakPolarHBondContact CE-O 3.31Å; Y635-C644 WeakPolarHBondContact CE2-O 3.44Å
645S93.8Very high90.6Very high36 Ų3669.9 Ų69.925%0.25233%0.334SS..SBendtrans-150.3158.4-174.170.60000113K647 C648 Q649S645-K647 PolarHBondContact O-N 3.34Å; S645-C648 PolarHBondContact O-N 3.45Å; S645-C648 PolarHBondContact OG-N 2.95Å; S645-C648 VanDerWaalsContact OG-N 3.15Å; S645-C648 PolarHBondContact OG-SG 2.89Å; S645-Q649 PolarHBondContact O-N 2.98Å
646I92.1Very high90.6Very high98 Ų9869.9 Ų69.950%0.50334%0.342SS..Hα-helixtrans-59.9-33.8172.8-61.2173.7000110.9Q649 Q650I646-Q649 WeakPolarHBondContact O-CB 3.2Å; I646-Q649 PolarHBondContact O-N 2.91Å; I646-Q650 HydrophobicContact CG2-CG 4.4Å; I646-Q650 WeakPolarHBondContact O-CG 3.36Å; I646-Q650 PolarHBondContact O-N 2.89Å
647K93.8Very high90.6Very high142 Ų14264.6 Ų64.662%0.61732%0.317SS*.Hα-helixtrans-61.8-54175.9179.2177.4171.3-178.80111.2S645 Q649 Q650 E651S645-K647 PolarHBondContact O-N 3.34Å; K647-Q649 PolarHBondContact O-N 2.85Å; K647-Q650 PolarHBondContact O-N 2.72Å; K647-Q650 VanDerWaalsContact O-N 3.1Å; K647-E651 WeakPolarHBondContact CE-OE1 3.25Å; K647-E651 WeakPolarHBondContact CG-OE1 3.16Å; K647-E651 IonicContact NZ-OE1 3.46Å; K647-E651 WeakPolarHBondContact O-CG 3.45Å; K647-E651 PolarHBondContact O-N 2.96Å
648C93.3Very high90.5Very high13 Ų1370.8 Ų70.89%0.08834%0.343CS..Hα-helixtrans-62.1-31.4176.2-69.50000113N628 Y643 S645 H652N628-C648 HydrophobicContact CB-CB 3.87Å; Y643-C648 HydrophobicContact CD1-CB 4.45Å; S645-C648 PolarHBondContact O-N 3.45Å; S645-C648 PolarHBondContact OG-N 2.95Å; S645-C648 VanDerWaalsContact OG-N 3.15Å; S645-C648 PolarHBondContact OG-SG 2.89Å; C648-H652 PolarHBondContact O-N 2.81Å
649Q91.9Very high90.5Very high60 Ų6081 Ų8128%0.2838%0.38SS..Hα-helixtrans-63.1-52.1170.2178.717512.900111.2Y643 S645 I646 K647 E651 W653Y643-Q649 HydrophobicContact CD1-CB 4.21Å; Y643-Q649 HydrophobicContact CD2-CB 3.61Å; Y643-Q649 HydrophobicContact CD2-CG 3.71Å; Y643-Q649 HydrophobicContact CE1-CB 4.48Å; Y643-Q649 HydrophobicContact CE2-CB 3.91Å; Y643-Q649 HydrophobicContact CE2-CG 3.62Å; Y643-Q649 HydrophobicContact CG-CB 3.75Å; Y643-Q649 HydrophobicContact CG-CG 4.36Å; S645-Q649 PolarHBondContact O-N 2.98Å; I646-Q649 WeakPolarHBondContact O-CB 3.2Å; I646-Q649 PolarHBondContact O-N 2.91Å; K647-Q649 PolarHBondContact O-N 2.85Å; Q649-E651 PolarHBondContact O-N 2.89Å; Q649-W653 WeakPolarHBondContact O-CA 3.33Å; Q649-W653 WeakPolarHBondContact O-CB 3.48Å; Q649-W653 PolarHBondContact O-N 2.95Å
650Q92.1Very high90.6Very high111 Ų11174.8 Ų74.852%0.51937%0.367SS..Hα-helixtrans-61.8-44.5-178.5-74.3177.9-0.700112.1I646 K647 W653 H654I646-Q650 HydrophobicContact CG2-CG 4.4Å; I646-Q650 WeakPolarHBondContact O-CG 3.36Å; I646-Q650 PolarHBondContact O-N 2.89Å; K647-Q650 PolarHBondContact O-N 2.72Å; K647-Q650 VanDerWaalsContact O-N 3.1Å; Q650-W653 PolarHBondContact O-N 2.84Å; Q650-H654 WeakPolarHBondContact O-CB 3.24Å; Q650-H654 PolarHBondContact O-CD2 3.37Å; Q650-H654 PolarHBondContact O-N 3.37Å
651E91.9Very high90.7Very high86 Ų8670.3 Ų70.340%0.40235%0.345SS..Hα-helixtrans-55.2-58.4177.6-72.4168.1177.400111.5N628 K647 Q649 W653 H654 A655N628-E651 PolarHBondContact ND2-OE2 3.48Å; K647-E651 WeakPolarHBondContact CE-OE1 3.25Å; K647-E651 WeakPolarHBondContact CG-OE1 3.16Å; K647-E651 IonicContact NZ-OE1 3.46Å; K647-E651 WeakPolarHBondContact O-CG 3.45Å; K647-E651 PolarHBondContact O-N 2.96Å; Q649-E651 PolarHBondContact O-N 2.89Å; E651-W653 VanDerWaalsContact C-N 3.32Å; E651-W653 PolarHBondContact O-N 3.41Å; E651-H654 PolarHBondContact O-N 3.11Å; E651-A655 WeakPolarHBondContact O-CB 3.29Å; E651-A655 PolarHBondContact O-N 3.05Å
652H90.1Very high90.5Very high14 Ų1479.8 Ų79.87%0.06538%0.38CS..Hα-helixtrans-66.4-31.6177.7179.4-152.6000112.6Y627 Y643 C648 D656 H657Y627-H652 AromaticContact CD1-CD2 3.92Å; Y627-H652 AromaticContact CD1-CE1 3.07Å; Y627-H652 WeakPolarHBondContact CD1-CE1 3.29Å; Y627-H652 AromaticContact CD1-CG 3.78Å; Y627-H652 AromaticContact CD1-ND1 3.22Å; Y627-H652 WeakPolarHBondContact CD1-ND1 3.31Å; Y627-H652 AromaticContact CD1-NE2 3.55Å; Y627-H652 AromaticContact CE1-CD2 3.88Å; Y627-H652 AromaticContact CE1-CE1 3.31Å; Y627-H652 WeakPolarHBondContact CE1-CE1 3.43Å; Y627-H652 AromaticContact CE1-ND1 3.87Å; Y627-H652 AromaticContact CE1-NE2 3.33Å; Y627-H652 VanDerWaalsContact CE1-NE2 3.33Å; Y627-H652 WeakPolarHBondContact CE1-NE2 3.21Å; Y627-H652 AromaticContact CG-CE1 3.53Å; Y627-H652 AromaticContact CG-ND1 3.7Å; Y627-H652 AromaticContact CZ-CE1 3.94Å; Y643-H652 HydrophobicContact CE1-CB 3.73Å; Y643-H652 AromaticContact CE1-CG 3.98Å; Y643-H652 AromaticContact CE1-ND1 3.43Å; Y643-H652 WeakPolarHBondContact CE1-ND1 3.17Å; Y643-H652 AromaticContact CZ-ND1 3.58Å; Y643-H652 PolarHBondContact OH-ND1 2.86Å; C648-H652 PolarHBondContact O-N 2.81Å; H652-D656 PolarHBondContact O-N 3.21Å; H652-H657 AromaticContact CE1-CG 3.91Å; H652-H657 AromaticContact CE1-ND1 3.99Å; H652-H657 PolarHBondContact O-N 3.14Å
653W90.7Very high89.8Confident79 Ų7987 Ų8730%0.29941%0.406SS..Iπ-helixtrans-64.9-45.3177.8-175-103.4000112.7Q649 Q650 E651 H657 K658 C661Q649-W653 WeakPolarHBondContact O-CA 3.33Å; Q649-W653 WeakPolarHBondContact O-CB 3.48Å; Q649-W653 PolarHBondContact O-N 2.95Å; Q650-W653 PolarHBondContact O-N 2.84Å; E651-W653 VanDerWaalsContact C-N 3.32Å; E651-W653 PolarHBondContact O-N 3.41Å; W653-H657 HydrophobicContact CE3-CB 4.16Å; W653-H657 AromaticContact CE3-CD2 3.68Å; W653-H657 AromaticContact CZ3-CD2 3.72Å; W653-K658 HydrophobicContact CD2-CB 3.91Å; W653-K658 HydrophobicContact CE3-CB 4.47Å; W653-K658 HydrophobicContact CG-CB 4.22Å; W653-K658 HydrophobicContact CZ2-CB 4.09Å; W653-K658 HydrophobicContact CZ2-CG 3.94Å; W653-K658 WeakPolarHBondContact O-CB 3.39Å; W653-K658 PolarHBondContact O-N 2.05Å; W653-C661 HydrophobicContact CH2-CB 3.93Å; W653-C661 HydrophobicContact CZ3-CB 3.65Å
654H88.9Confident88.6Confident142 Ų14296.3 Ų96.366%0.65745%0.446SS*.Iπ-helixtrans-76.3-30.6179.8-76.7-75000112.9Q650 E651Q650-H654 WeakPolarHBondContact O-CB 3.24Å; Q650-H654 PolarHBondContact O-CD2 3.37Å; Q650-H654 PolarHBondContact O-N 3.37Å; E651-H654 PolarHBondContact O-N 3.11Å
655A87.4Confident86.9Confident60 Ų60110.6 Ų110.650%0.49650%0.497SS..Iπ-helixtrans-64.7-70.1169.600000111.3E651E651-A655 WeakPolarHBondContact O-CB 3.29Å; E651-A655 PolarHBondContact O-N 3.05Å
656D86.3Confident86.6Confident106 Ų106114.4 Ų114.457%0.56751%0.509SS*.Iπ-helixtrans-136.2-40.1-164.4-67.8-58.9000114.7H652 K658 R659H652-D656 PolarHBondContact O-N 3.21Å; D656-K658 VanDerWaalsContact C-N 3.27Å; D656-K658 PolarHBondContact O-N 3.48Å; D656-K658 VanDerWaalsContact O-N 3.12Å; D656-R659 PolarHBondContact O-N 2.88Å; D656-R659 VanDerWaalsContact O-N 3.12Å
657H89.7Confident86.3Confident4 Ų4115.2 Ų115.22%0.01951%0.51CS..Iπ-helixtrans-63.5-30.1-165.1-16450.5000113.7C637 C638 T641 Y643 H652 W653 R659 T660 C661C637-H657 PolarHBondContact SG-NE2 2.89Å; C637-H657 VanDerWaalsContact SG-NE2 3.44Å; C638-H657 VanDerWaalsContact SG-CE1 3.57Å; T641-H657 VanDerWaalsContact CB-CE1 3.46Å; T641-H657 WeakPolarHBondContact CB-CE1 3.3Å; T641-H657 PolarHBondContact OG1-CE1 3.26Å; Y643-H657 PolarHBondContact OH-CD2 3.29Å; Y643-H657 VanDerWaalsContact OH-CD2 3.31Å; H652-H657 AromaticContact CE1-CG 3.91Å; H652-H657 AromaticContact CE1-ND1 3.99Å; H652-H657 PolarHBondContact O-N 3.14Å; W653-H657 HydrophobicContact CE3-CB 4.16Å; W653-H657 AromaticContact CE3-CD2 3.68Å; W653-H657 AromaticContact CZ3-CD2 3.72Å; H657-R659 PolarHBondContact O-N 3.26Å; H657-R659 VanDerWaalsContact O-N 3.09Å; H657-T660 PolarHBondContact O-N 2.62Å; H657-T660 PolarHBondContact O-OG1 2.99Å; H657-C661 PolarHBondContact NE2-SG 3.39Å; H657-C661 WeakPolarHBondContact O-CB 3.16Å; H657-C661 PolarHBondContact O-N 2.91Å
658K88.4Confident85.9Confident136 Ų136113.7 Ų113.759%0.59150%0.504SS*.Hα-helixtrans-56.4-28.1178.6-179177.8179.7-176.40113.4W653 D656W653-K658 HydrophobicContact CD2-CB 3.91Å; W653-K658 HydrophobicContact CE3-CB 4.47Å; W653-K658 HydrophobicContact CG-CB 4.22Å; W653-K658 HydrophobicContact CZ2-CB 4.09Å; W653-K658 HydrophobicContact CZ2-CG 3.94Å; W653-K658 WeakPolarHBondContact O-CB 3.39Å; W653-K658 PolarHBondContact O-N 2.05Å; D656-K658 VanDerWaalsContact C-N 3.27Å; D656-K658 PolarHBondContact O-N 3.48Å; D656-K658 VanDerWaalsContact O-N 3.12Å
659R87.3Confident85.5Confident225 Ų225119.6 Ų119.685%0.84953%0.528SS*.Hα-helixtrans-85.1-22.2179.8-57.7-175.3-170.9-142.13.6113.4D656 H657D656-R659 PolarHBondContact O-N 2.88Å; D656-R659 VanDerWaalsContact O-N 3.12Å; H657-R659 PolarHBondContact O-N 3.26Å; H657-R659 VanDerWaalsContact O-N 3.09Å
660T86.2Confident85.1Confident92 Ų92123.4 Ų123.456%0.56454%0.544SS*.Hα-helixtrans-119-5.2-169.556.60000113.8H657 R662H657-T660 PolarHBondContact O-N 2.62Å; H657-T660 PolarHBondContact O-OG1 2.99Å; T660-R662 PolarHBondContact O-N 3.49Å
661C87.9Confident84.6Confident31 Ų31124.2 Ų124.221%0.20955%0.546CS..  trans-58.9128.6-178.2-169.30000112.2C637 W653 H657C637-C661 VanDerWaalsContact SG-SG 3.69Å; W653-C661 HydrophobicContact CH2-CB 3.93Å; W653-C661 HydrophobicContact CZ3-CB 3.65Å; H657-C661 PolarHBondContact NE2-SG 3.39Å; H657-C661 WeakPolarHBondContact O-CB 3.16Å; H657-C661 PolarHBondContact O-N 2.91Å
662R85.5Confident84.1Confident210 Ų210126.9 Ų126.979%0.79256%0.556SS**  trans-95.37.1-179.2-61.4-174178.8-168.5-0.7113.9C638 T660 K664C638-R662 HydrophobicContact CB-CB 4.41Å; T660-R662 PolarHBondContact O-N 3.49Å; R662-K664 PolarHBondContact O-N 3.18Å
663R80.9Confident83.6Confident159 Ų159135.6 Ų135.660%0.659%0.594SS**  trans-71.9114.1174.1-164-179.3-171.5129.3-10.8107.9H636 C637 C638H636-R663 PolarHBondContact O-NH1 3.49Å; H636-R663 VanDerWaalsContact O-NH1 3.12Å; C637-R663 WeakPolarHBondContact O-CD 3.01Å; C637-R663 PolarHBondContact O-NH1 3.32Å; C637-R663 VanDerWaalsContact O-NH1 3.11Å; C638-R663 HydrophobicContact CB-CB 4.42Å
664K67.9Low83Confident197 Ų197140.3 Ų140.386%0.85762%0.618SS**  trans-58.5141.1172.7-69-175.8176.8-177.60108.9R662R662-K664 PolarHBondContact O-N 3.18Å
665R59.5Low82.5Confident322 Ų322140.2 Ų140.2100%1.21562%0.615SS**  trans-66.30171.2-76.8-172.7177.4-174.70.2110.5

Retrieved 665 of 665 residues in 233.2 ms (Link to these results)

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