A0A077Z0S1_TRITR Loading...

DALR 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0S1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 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
1M73.1Confident82.4Confident48 Ų4859.7 Ų59.724%0.23629%0.292CS..  0-52.40-171.553.3-173.900114.4N3 A4 M5 F275 A282 V285 F351 V355M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.47Å; M1-A4 WeakPolarHBondContact O-CA 3.43Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-A4 HydrophobicContact SD-CB 4.2Å; M1-M5 HydrophobicContact CE-CE 4.07Å; M1-M5 HydrophobicContact CE-CG 3.65Å; M1-M5 HydrophobicContact CE-SD 3.92Å; M1-M5 HydrophobicContact CG-CE 4.3Å; M1-M5 PolarHBondContact O-N 2.88Å; M1-F275 HydrophobicContact CB-CB 4.32Å; M1-F275 HydrophobicContact CB-CD1 3.74Å; M1-F275 HydrophobicContact CB-CG 4.48Å; M1-F275 HydrophobicContact CG-CD1 3.75Å; M1-A282 VanDerWaalsContact CE-CA 3.47Å; M1-A282 HydrophobicContact CE-CB 3.93Å; M1-A282 HydrophobicContact CG-CB 3.87Å; M1-A282 HydrophobicContact SD-CB 3.55Å; M1-A282 VanDerWaalsContact SD-CB 3.55Å; M1-V285 HydrophobicContact CE-CB 3.85Å; M1-V285 HydrophobicContact CE-CG1 4.37Å; M1-V285 HydrophobicContact CE-CG2 3.72Å; M1-V285 HydrophobicContact SD-CB 4.46Å; M1-F351 HydrophobicContact CE-CE2 4.32Å; M1-F351 HydrophobicContact CE-CZ 3.81Å; M1-F351 HydrophobicContact CG-CE2 3.95Å; M1-F351 HydrophobicContact CG-CZ 3.8Å; M1-V355 HydrophobicContact CE-CG2 3.76Å
2K73.6Confident82.3Confident81 Ų8155.4 Ų55.435%0.35227%0.271SS..Hα-helixtrans-50-51.8171.7-179.9177.2171.4-176.50111.6A4 M5 E6 L267 F275K2-A4 PolarHBondContact O-N 3.04Å; K2-A4 VanDerWaalsContact O-N 3.17Å; K2-M5 PolarHBondContact O-N 2.91Å; K2-E6 WeakPolarHBondContact CE-OE1 3.36Å; K2-E6 HydrophobicContact CG-CG 4.46Å; K2-E6 WeakPolarHBondContact CG-OE1 3.11Å; K2-E6 IonicContact NZ-OE1 2.94Å; K2-E6 WeakPolarHBondContact O-CB 3.26Å; K2-E6 WeakPolarHBondContact O-CG 3.49Å; K2-E6 PolarHBondContact O-N 3.43Å; K2-L267 HydrophobicContact CG-CD2 4.11Å; K2-F275 HydrophobicContact CB-CE1 4.03Å; K2-F275 HydrophobicContact CB-CZ 4.34Å
3N81.1Confident82.4Confident124 Ų12456.8 Ų56.866%0.66328%0.277SS*.Hα-helixtrans-58.3-30174.4-56.49.6000113.7M1 L7M1-N3 VanDerWaalsContact C-N 3.31Å; M1-N3 PolarHBondContact O-N 3.47Å; N3-L7 WeakPolarHBondContact O-CB 3.42Å; N3-L7 PolarHBondContact O-N 2.91Å
4A83.5Confident82Confident16 Ų1656.3 Ų56.313%0.13228%0.276CS..Hα-helixtrans-75.9-41.4179.700000111.4M1 K2 L7 L8 V285 L289M1-A4 WeakPolarHBondContact O-CA 3.43Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.35Å; M1-A4 HydrophobicContact SD-CB 4.2Å; K2-A4 PolarHBondContact O-N 3.04Å; K2-A4 VanDerWaalsContact O-N 3.17Å; A4-L7 PolarHBondContact O-N 3.09Å; A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 PolarHBondContact O-N 3.47Å; A4-V285 HydrophobicContact CB-CG1 4.29Å; A4-L289 HydrophobicContact CB-CD1 3.8Å
5M83.4Confident81.1Confident2 Ų253 Ų531%0.0126%0.261CS..Hα-helixtrans-67.1-41.8172.7-74.5-172.5-73.900111.9M1 K2 L8 N9 L267 F275 V285 F351 V355M1-M5 HydrophobicContact CE-CE 4.07Å; M1-M5 HydrophobicContact CE-CG 3.65Å; M1-M5 HydrophobicContact CE-SD 3.92Å; M1-M5 HydrophobicContact CG-CE 4.3Å; M1-M5 PolarHBondContact O-N 2.88Å; K2-M5 PolarHBondContact O-N 2.91Å; M5-L8 PolarHBondContact O-N 2.76Å; M5-N9 WeakPolarHBondContact O-CB 3.08Å; M5-N9 PolarHBondContact O-N 3.23Å; M5-L267 HydrophobicContact CB-CD2 4.5Å; M5-L267 HydrophobicContact CE-CD1 3.61Å; M5-L267 HydrophobicContact CE-CD2 3.52Å; M5-L267 HydrophobicContact CE-CG 4.19Å; M5-L267 HydrophobicContact SD-CD2 4.42Å; M5-F275 HydrophobicContact CE-CE1 3.93Å; M5-V285 HydrophobicContact CG-CG1 4.38Å; M5-V285 HydrophobicContact CG-CG2 4.4Å; M5-F351 HydrophobicContact CE-CD2 4.22Å; M5-F351 HydrophobicContact CE-CE2 3.61Å; M5-F351 HydrophobicContact CE-CZ 4.47Å; M5-V355 HydrophobicContact CE-CG2 4.48Å; M5-V355 HydrophobicContact SD-CB 4.42Å; M5-V355 HydrophobicContact SD-CG2 3.56Å; M5-V355 VanDerWaalsContact SD-CG2 3.56Å
6E85.5Confident80Confident88 Ų8855.8 Ų55.841%0.41127%0.274SS..Hα-helixtrans-62.5-43.6174.3-73170.2169.600110.9K2 N9 F10K2-E6 WeakPolarHBondContact CE-OE1 3.36Å; K2-E6 HydrophobicContact CG-CG 4.46Å; K2-E6 WeakPolarHBondContact CG-OE1 3.11Å; K2-E6 IonicContact NZ-OE1 2.94Å; K2-E6 WeakPolarHBondContact O-CB 3.26Å; K2-E6 WeakPolarHBondContact O-CG 3.49Å; K2-E6 PolarHBondContact O-N 3.43Å; E6-N9 PolarHBondContact O-N 3.22Å; E6-F10 WeakPolarHBondContact O-CB 3.42Å; E6-F10 PolarHBondContact O-N 3.44Å
7L85.8Confident78.7Confident80 Ų8060.8 Ų60.842%0.41930%0.296SS..Hα-helixtrans-63-43.4175.4179.563000112.2N3 A4 F10 K11 L289N3-L7 WeakPolarHBondContact O-CB 3.42Å; N3-L7 PolarHBondContact O-N 2.91Å; A4-L7 PolarHBondContact O-N 3.09Å; L7-F10 PolarHBondContact O-N 2.83Å; L7-K11 HydrophobicContact CD1-CG 4.44Å; L7-K11 WeakPolarHBondContact O-CB 3.26Å; L7-K11 WeakPolarHBondContact O-CG 3.34Å; L7-K11 PolarHBondContact O-N 3.42Å; L7-L289 HydrophobicContact CD2-CD1 4.43Å; L7-L289 HydrophobicContact CD2-CD2 4.27Å; L7-L289 HydrophobicContact CG-CD2 4.31Å
8L85.4Confident77.2Confident0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-64.8-45.5177.4-179.556.4000111A4 M5 K11 I12 V285 I288 L289 F294 V358 W362A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 PolarHBondContact O-N 3.47Å; M5-L8 PolarHBondContact O-N 2.76Å; L8-K11 PolarHBondContact O-N 3.25Å; L8-I12 HydrophobicContact CD1-CD1 4.18Å; L8-I12 HydrophobicContact CD1-CG1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4.08Å; L8-I12 WeakPolarHBondContact O-CD1 3.26Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.41Å; L8-V285 HydrophobicContact CB-CG1 4.45Å; L8-V285 HydrophobicContact CD2-CG1 3.93Å; L8-I288 HydrophobicContact CD1-CG2 3.87Å; L8-I288 HydrophobicContact CD2-CD1 4.24Å; L8-I288 HydrophobicContact CD2-CG2 4.15Å; L8-L289 HydrophobicContact CB-CD2 4.14Å; L8-L289 HydrophobicContact CD1-CD2 4.31Å; L8-F294 HydrophobicContact CD1-CE1 3.97Å; L8-F294 HydrophobicContact CD1-CZ 3.64Å; L8-V358 HydrophobicContact CB-CG1 4.01Å; L8-V358 HydrophobicContact CD2-CG1 3.51Å; L8-V358 HydrophobicContact CG-CG1 3.62Å; L8-W362 HydrophobicContact CD1-CG 4.47Å
9N85.8Confident76Confident39 Ų3968.2 Ų68.221%0.20932%0.322CS..Hα-helixtrans-59.6-47.7173.5-84-29.2000111.6M5 E6 K11 I12 E13 V358M5-N9 WeakPolarHBondContact O-CB 3.08Å; M5-N9 PolarHBondContact O-N 3.23Å; E6-N9 PolarHBondContact O-N 3.22Å; N9-K11 VanDerWaalsContact C-N 3.31Å; N9-K11 PolarHBondContact O-N 3.42Å; N9-I12 PolarHBondContact O-N 2.72Å; N9-I12 VanDerWaalsContact O-N 3.1Å; N9-E13 WeakPolarHBondContact O-CB 3.35Å; N9-E13 WeakPolarHBondContact O-CG 3.4Å; N9-E13 PolarHBondContact O-N 3.5Å; N9-V358 WeakPolarHBondContact ND2-CG2 3.3Å; N9-V358 WeakPolarHBondContact OD1-CG1 3.35Å; N9-V358 WeakPolarHBondContact OD1-CG2 3.32Å
10F85.7Confident74.5Confident118 Ų11870.9 Ų70.952%0.51834%0.343SS..Hα-helixtrans-58.8-41.8177.7177.6-106.4000111.7E6 L7 I12 E13 N14E6-F10 WeakPolarHBondContact O-CB 3.42Å; E6-F10 PolarHBondContact O-N 3.44Å; L7-F10 PolarHBondContact O-N 2.83Å; F10-I12 VanDerWaalsContact C-N 3.35Å; F10-I12 PolarHBondContact O-N 2.99Å; F10-E13 PolarHBondContact O-N 3.11Å; F10-N14 WeakPolarHBondContact CD1-ND2 3.06Å; F10-N14 WeakPolarHBondContact CD2-ND2 3.46Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.38Å; F10-N14 WeakPolarHBondContact CE2-ND2 3.49Å; F10-N14 WeakPolarHBondContact CG-ND2 3.22Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.21Å; F10-N14 WeakPolarHBondContact O-CB 3.4Å; F10-N14 PolarHBondContact O-N 2.89Å; F10-N14 PolarHBondContact O-ND2 3.2Å
11K83.7Confident73.4Confident61 Ų6171 Ų7127%0.26535%0.345SS..Hα-helixtrans-62.9-39.4174.8-78.7-164.6171.8-147.70112.6L7 L8 N9 A15 F294 D297L7-K11 HydrophobicContact CD1-CG 4.44Å; L7-K11 WeakPolarHBondContact O-CB 3.26Å; L7-K11 WeakPolarHBondContact O-CG 3.34Å; L7-K11 PolarHBondContact O-N 3.42Å; L8-K11 PolarHBondContact O-N 3.25Å; N9-K11 VanDerWaalsContact C-N 3.31Å; N9-K11 PolarHBondContact O-N 3.42Å; K11-A15 WeakPolarHBondContact O-CB 3.37Å; K11-A15 PolarHBondContact O-N 3.02Å; K11-F294 HydrophobicContact CB-CD1 4.2Å; K11-F294 HydrophobicContact CB-CE1 3.84Å; K11-F294 HydrophobicContact CB-CZ 4.26Å; K11-F294 HydrophobicContact CD-CD1 3.88Å; K11-F294 HydrophobicContact CD-CD2 3.61Å; K11-F294 HydrophobicContact CD-CE1 3.72Å; K11-F294 HydrophobicContact CD-CE2 3.44Å; K11-F294 VanDerWaalsContact CD-CE2 3.44Å; K11-F294 HydrophobicContact CD-CG 3.83Å; K11-F294 HydrophobicContact CD-CZ 3.5Å; K11-F294 HydrophobicContact CG-CE1 4.44Å; K11-F294 VanDerWaalsContact NZ-CD2 3.28Å; K11-D297 IonicContact NZ-OD2 3.25Å; K11-D297 PolarHBondContact NZ-OD2 2.87Å
12I81.5Confident72.4Confident8 Ų876.9 Ų76.94%0.04138%0.377CS..Hα-helixtrans-69.5-47.6176.7-62.5158.3000110.4L8 N9 F10 A15 E16 K361 W362 H365L8-I12 HydrophobicContact CD1-CD1 4.18Å; L8-I12 HydrophobicContact CD1-CG1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4.08Å; L8-I12 WeakPolarHBondContact O-CD1 3.26Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.41Å; N9-I12 PolarHBondContact O-N 2.72Å; N9-I12 VanDerWaalsContact O-N 3.1Å; F10-I12 VanDerWaalsContact C-N 3.35Å; F10-I12 PolarHBondContact O-N 2.99Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.32Å; I12-E16 PolarHBondContact O-N 3.41Å; I12-K361 HydrophobicContact CD1-CB 4.35Å; I12-W362 HydrophobicContact CD1-CB 3.77Å; I12-H365 HydrophobicContact CG2-CB 4.35Å
13E82.8Confident71.6Confident74 Ų7476.4 Ų76.435%0.34638%0.378SS..Hα-helixtrans-70.6-38.4-175.5-71.5173.2-179.100112N9 F10 A15 E16 Q17 K361N9-E13 WeakPolarHBondContact O-CB 3.35Å; N9-E13 WeakPolarHBondContact O-CG 3.4Å; N9-E13 PolarHBondContact O-N 3.5Å; F10-E13 PolarHBondContact O-N 3.11Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 2.89Å; E13-E16 CarbonylContact O-C 3.56Å; E13-E16 WeakPolarHBondContact O-CA 3.36Å; E13-E16 PolarHBondContact O-N 2.94Å; E13-Q17 WeakPolarHBondContact O-CG 3.38Å; E13-Q17 PolarHBondContact O-N 2.88Å; E13-K361 IonicContact OE1-NZ 2.81Å; E13-K361 PolarHBondContact OE1-NZ 3.48Å
14N76.7Confident71Confident49 Ų4971.5 Ų71.526%0.26236%0.358SS..Hα-helixtrans-66.4-32.2173.3-72.7-18.7000112.9F10 E16 Q17 D18F10-N14 WeakPolarHBondContact CD1-ND2 3.06Å; F10-N14 WeakPolarHBondContact CD2-ND2 3.46Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.38Å; F10-N14 WeakPolarHBondContact CE2-ND2 3.49Å; F10-N14 WeakPolarHBondContact CG-ND2 3.22Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.21Å; F10-N14 WeakPolarHBondContact O-CB 3.4Å; F10-N14 PolarHBondContact O-N 2.89Å; F10-N14 PolarHBondContact O-ND2 3.2Å; N14-E16 PolarHBondContact O-N 3.29Å; N14-Q17 PolarHBondContact O-N 3.36Å; N14-D18 WeakPolarHBondContact O-CB 3.41Å; N14-D18 PolarHBondContact O-N 3.46Å; N14-D18 VanDerWaalsContact O-N 3.11Å
15A69.2Low71Confident7 Ų773.4 Ų73.46%0.05837%0.366CS..Hα-helixtrans-66.3-10.9171.500000112.3K11 I12 E13 S60 E296K11-A15 WeakPolarHBondContact O-CB 3.37Å; K11-A15 PolarHBondContact O-N 3.02Å; I12-A15 WeakPolarHBondContact O-CB 3.47Å; I12-A15 PolarHBondContact O-N 3.32Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 2.89Å; A15-S60 CarbonylContact C-O 3.6Å; A15-S60 VanDerWaalsContact C-O 3.28Å; A15-S60 VanDerWaalsContact CA-O 3.22Å; A15-S60 WeakPolarHBondContact CA-O 3.33Å; A15-S60 CarbonylContact O-C 3.57Å; A15-S60 WeakPolarHBondContact O-CA 3.48Å; A15-E296 HydrophobicContact CB-CG 4.1Å
16E62.6Low71.2Confident98 Ų9873.4 Ų73.446%0.45837%0.366SS..Hα-helixtrans-105.6-24.6174.5-61.4-163.3132.200113.3I12 E13 N14 K368I12-E16 PolarHBondContact O-N 3.41Å; E13-E16 CarbonylContact O-C 3.56Å; E13-E16 WeakPolarHBondContact O-CA 3.36Å; E13-E16 PolarHBondContact O-N 2.94Å; N14-E16 PolarHBondContact O-N 3.29Å; E16-K368 IonicContact OE1-NZ 2.85Å; E16-K368 PolarHBondContact OE1-NZ 2.93Å; E16-K368 VanDerWaalsContact OE1-NZ 3.15Å
17Q58.6Low71.3Confident141 Ų14169.3 Ų69.366%0.65935%0.346SS*.Hα-helixtrans-103.9-22.4-170.8-69.7-176.63.900115.4E13 N14 R19E13-Q17 WeakPolarHBondContact O-CG 3.38Å; E13-Q17 PolarHBondContact O-N 2.88Å; N14-Q17 PolarHBondContact O-N 3.36Å; Q17-R19 VanDerWaalsContact C-N 3.25Å; Q17-R19 PolarHBondContact O-N 3.21Å
18D52.4Low71.4Confident54 Ų5465.5 Ų65.529%0.28933%0.327SS..  trans-81.770.7-177-157.74.2000111.4N14 T20 G62N14-D18 WeakPolarHBondContact O-CB 3.41Å; N14-D18 PolarHBondContact O-N 3.46Å; N14-D18 VanDerWaalsContact O-N 3.11Å; D18-T20 VanDerWaalsContact C-N 3.33Å; D18-T20 PolarHBondContact OD1-OG1 2.92Å; D18-G62 WeakPolarHBondContact O-CA 3.37Å; D18-G62 PolarHBondContact O-N 3.08Å
19R54.5Low71.5Confident208 Ų20865.7 Ų65.779%0.78533%0.327SS*.  trans-91.99.2175.2-64.4-173.6-177.6-172.6-0.7113Q17Q17-R19 VanDerWaalsContact C-N 3.25Å; Q17-R19 PolarHBondContact O-N 3.21Å
20T46.3Very low71.4Confident122 Ų12263.8 Ų63.875%0.74832%0.317SS*.  trans-112.21.6-16345.50000115.4D18 N22D18-T20 VanDerWaalsContact C-N 3.33Å; D18-T20 PolarHBondContact OD1-OG1 2.92Å; T20-N22 PolarHBondContact O-N 2.86Å
21L51.1Low70.8Confident74 Ų7458.2 Ų58.239%0.38729%0.293SS..  trans-87.1109.8165-82.3130.2000108.7N23L21-N23 HydrophobicContact CB-CB 4.5Å; L21-N23 WeakPolarHBondContact CB-ND2 3.47Å; L21-N23 PolarHBondContact O-N 3.45Å
22N51.6Low70.1Confident170 Ų17055.5 Ų55.591%0.90928%0.281SS*.  trans-59.763.8162.4-82.9-11.6000110.2T20 G24T20-N22 PolarHBondContact O-N 2.86Å; N22-G24 PolarHBondContact O-N 3.22Å
23N57.1Low69.1Low71 Ų7157.4 Ų57.438%0.3829%0.289SS..  trans-91.250178.6-78.3-17.7000109.7L21 V63L21-N23 HydrophobicContact CB-CB 4.5Å; L21-N23 WeakPolarHBondContact CB-ND2 3.47Å; L21-N23 PolarHBondContact O-N 3.45Å; N23-V63 HydrophobicContact CB-CG2 4.1Å
24G67.6Low68.1Low22 Ų2254.2 Ų54.223%0.22728%0.276CS..  trans61.5169.3168.300000117.7N22 D125N22-G24 PolarHBondContact O-N 3.22Å; G24-D125 WeakPolarHBondContact CA-OD2 3.34Å
25D83.7Confident67.4Low56 Ų5655.9 Ų55.930%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-87.1126.1172-74.5-13.2000108.8V64 S124 D125 V126D25-V64 WeakPolarHBondContact OD1-CB 3.02Å; D25-V64 WeakPolarHBondContact OD1-CG1 3.28Å; D25-S124 WeakPolarHBondContact O-CB 3.29Å; D25-D125 PolarHBondContact N-OD2 2.81Å; D25-D125 PolarHBondContact O-N 3.46Å; D25-V126 PolarHBondContact O-N 3.22Å
26V86.9Confident67.6Low2 Ų256.8 Ų56.81%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-115.5123.3177.9-178.30000110.2F28 V63 V64 A65 H66 V126 V128 L303V26-F28 HydrophobicContact CB-CE2 4.21Å; V26-F28 HydrophobicContact CG1-CD2 4.1Å; V26-F28 HydrophobicContact CG1-CE2 3.53Å; V26-F28 HydrophobicContact CG1-CZ 3.95Å; V26-V63 HydrophobicContact CB-CG1 3.75Å; V26-V63 HydrophobicContact CG2-CG1 3.4Å; V26-V64 PolarHBondContact N-O 3.44Å; V26-A65 CarbonylContact O-C 3.53Å; V26-A65 WeakPolarHBondContact O-CA 3.4Å; V26-H66 PolarHBondContact O-N 3.46Å; V26-V126 WeakPolarHBondContact CA-O 3.11Å; V26-V126 HydrophobicContact CG1-CB 4.32Å; V26-V126 HydrophobicContact CG2-CB 4.15Å; V26-V128 HydrophobicContact CG1-CG2 3.96Å; V26-L303 HydrophobicContact CG1-CD2 4.03Å; V26-L303 HydrophobicContact CG2-CD1 4.39Å; V26-L303 HydrophobicContact CG2-CD2 4.29Å
27I87.7Confident68.1Low1 Ų154.9 Ų54.91%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-98.2122.5175.5-69.8177.4000110H66 M68 L95 V121 S124 V126 I127 V128I27-H66 HydrophobicContact CG1-CB 3.97Å; I27-M68 HydrophobicContact CG2-CB 3.91Å; I27-M68 HydrophobicContact CG2-SD 4.28Å; I27-L95 HydrophobicContact CD1-CD1 4.06Å; I27-L95 HydrophobicContact CG1-CD1 4.32Å; I27-V121 HydrophobicContact CD1-CB 3.67Å; I27-V121 HydrophobicContact CD1-CG1 3.54Å; I27-V121 HydrophobicContact CG2-CG1 4.14Å; I27-S124 WeakPolarHBondContact CD1-OG 3.44Å; I27-S124 WeakPolarHBondContact CG1-OG 3.04Å; I27-V126 PolarHBondContact N-O 3.1Å; I27-I127 CarbonylContact O-C 3.58Å; I27-I127 WeakPolarHBondContact O-CA 3.46Å; I27-V128 PolarHBondContact O-N 3.37Å
28F88.8Confident69.2Low0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-95.6104.7169.3-70.5-93.1000109V26 T51 L54 C55 A58 A65 H66 L67 M68 V128 M299V26-F28 HydrophobicContact CB-CE2 4.21Å; V26-F28 HydrophobicContact CG1-CD2 4.1Å; V26-F28 HydrophobicContact CG1-CE2 3.53Å; V26-F28 HydrophobicContact CG1-CZ 3.95Å; F28-T51 HydrophobicContact CB-CG2 3.9Å; F28-L54 HydrophobicContact CD1-CB 3.85Å; F28-L54 HydrophobicContact CE1-CB 3.58Å; F28-C55 HydrophobicContact CB-CB 4.1Å; F28-C55 HydrophobicContact CD1-CB 4.37Å; F28-C55 HydrophobicContact CD2-CB 3.8Å; F28-C55 HydrophobicContact CE2-CB 4.36Å; F28-C55 HydrophobicContact CG-CB 3.81Å; F28-A58 HydrophobicContact CE2-CB 3.53Å; F28-A58 HydrophobicContact CZ-CB 3.54Å; F28-A65 HydrophobicContact CD2-CB 4.02Å; F28-A65 HydrophobicContact CE2-CB 3.82Å; F28-H66 PolarHBondContact N-O 2.97Å; F28-L67 HydrophobicContact CB-CD1 4.28Å; F28-M68 PolarHBondContact O-N 3.11Å; F28-V128 CarbonylContact C-O 3.59Å; F28-V128 WeakPolarHBondContact CA-O 3.28Å; F28-V128 HydrophobicContact CD1-CB 3.66Å; F28-V128 HydrophobicContact CD1-CG1 3.85Å; F28-V128 HydrophobicContact CD1-CG2 4.07Å; F28-V128 HydrophobicContact CE1-CB 3.77Å; F28-V128 HydrophobicContact CE1-CG1 3.88Å; F28-V128 HydrophobicContact CE1-CG2 3.69Å; F28-V128 HydrophobicContact CG-CB 4.31Å; F28-V128 HydrophobicContact CZ-CG2 4.03Å; F28-M299 HydrophobicContact CE1-CE 4.37Å; F28-M299 HydrophobicContact CZ-CE 4.37Å; F28-M299 HydrophobicContact CZ-SD 4.3Å
29F86.7Confident70.9Confident4 Ų448.3 Ų48.32%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-96.7110.8177.7-179.8-120.4000110.6A31 F33 M68 P70 F117 V128 V129 V130 W135 L142F29-A31 HydrophobicContact CD1-CB 3.97Å; F29-A31 HydrophobicContact CE1-CB 3.5Å; F29-A31 VanDerWaalsContact CE1-CB 3.5Å; F29-A31 HydrophobicContact CZ-CB 4.15Å; F29-A31 PolarHBondContact O-N 3.37Å; F29-F33 AromaticContact CZ-CE2 3.92Å; F29-F33 HydrophobicContact CZ-CE2 3.92Å; F29-F33 HydrophobicContact CZ-CZ 4.04Å; F29-M68 WeakPolarHBondContact CA-O 3.35Å; F29-M68 HydrophobicContact CD2-CB 4.17Å; F29-M68 HydrophobicContact CD2-CG 3.98Å; F29-M68 WeakPolarHBondContact CD2-O 3.18Å; F29-M68 HydrophobicContact CD2-SD 4.17Å; F29-P70 HydrophobicContact CE2-CB 4.32Å; F29-P70 HydrophobicContact CE2-CG 3.78Å; F29-P70 HydrophobicContact CZ-CG 3.98Å; F29-F117 HydrophobicContact CB-CE2 4.1Å; F29-F117 HydrophobicContact CB-CZ 4.1Å; F29-F117 AromaticContact CD1-CE2 3.91Å; F29-F117 HydrophobicContact CD1-CE2 3.91Å; F29-F117 HydrophobicContact CD1-CZ 4.12Å; F29-F117 HydrophobicContact CD2-CD2 4.29Å; F29-F117 AromaticContact CD2-CE2 3.48Å; F29-F117 HydrophobicContact CD2-CE2 3.48Å; F29-F117 VanDerWaalsContact CD2-CE2 3.48Å; F29-F117 HydrophobicContact CD2-CZ 4.3Å; F29-F117 HydrophobicContact CE1-CE2 4.16Å; F29-F117 HydrophobicContact CE2-CD2 4.11Å; F29-F117 AromaticContact CE2-CE2 3.74Å; F29-F117 HydrophobicContact CE2-CE2 3.74Å; F29-F117 AromaticContact CG-CE2 3.56Å; F29-F117 HydrophobicContact CG-CE2 3.56Å; F29-F117 AromaticContact CG-CZ 3.93Å; F29-F117 HydrophobicContact CG-CZ 3.93Å; F29-F117 HydrophobicContact CZ-CD2 4.31Å; F29-F117 HydrophobicContact CZ-CE2 4.08Å; F29-V128 PolarHBondContact N-O 3.46Å; F29-V129 HydrophobicContact CD1-CG1 4.15Å; F29-V130 PolarHBondContact O-N 3.16Å; F29-W135 HydrophobicContact CE1-CH2 4.32Å; F29-L142 HydrophobicContact CD1-CD2 3.87Å; F29-L142 HydrophobicContact CE1-CD2 3.71Å
30G83.3Confident72.4Confident0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-9091.3174.100000110.3V32 M68 P70 V130G30-V32 VanDerWaalsContact C-N 3.33Å; G30-V32 PolarHBondContact O-N 3.1Å; G30-M68 PolarHBondContact N-O 2.99Å; G30-M68 VanDerWaalsContact N-O 3.08Å; G30-P70 WeakPolarHBondContact O-CD 3.18Å; G30-V130 CarbonylContact C-O 3.52Å; G30-V130 WeakPolarHBondContact CA-O 3.4Å
31A73.3Confident74.2Confident0 Ų037 Ų370%020%0.195CC..  trans-72.183.2-174.100000111.5F29 V130 P132 W135F29-A31 HydrophobicContact CD1-CB 3.97Å; F29-A31 HydrophobicContact CE1-CB 3.5Å; F29-A31 VanDerWaalsContact CE1-CB 3.5Å; F29-A31 HydrophobicContact CZ-CB 4.15Å; F29-A31 PolarHBondContact O-N 3.37Å; A31-V130 PolarHBondContact N-O 2.78Å; A31-P132 WeakPolarHBondContact O-CD 3.35Å; A31-W135 HydrophobicContact CB-CD2 4.07Å; A31-W135 HydrophobicContact CB-CE3 3.52Å; A31-W135 HydrophobicContact CB-CH2 3.93Å; A31-W135 HydrophobicContact CB-CZ2 4.39Å; A31-W135 HydrophobicContact CB-CZ3 3.43Å; A31-W135 VanDerWaalsContact CB-CZ3 3.43Å
32V69.5Low76.1Confident4 Ų433.5 Ų33.52%0.02418%0.176CC..  trans-122.586.5-180-1760000109G30 W36 T47 L48G30-V32 VanDerWaalsContact C-N 3.33Å; G30-V32 PolarHBondContact O-N 3.1Å; V32-W36 HydrophobicContact CG1-CH2 3.96Å; V32-W36 HydrophobicContact CG1-CZ2 3.75Å; V32-T47 HydrophobicContact CG2-CG2 3.75Å; V32-L48 HydrophobicContact CB-CD2 4.36Å; V32-L48 HydrophobicContact CG2-CD2 3.9Å; V32-L48 HydrophobicContact CG2-CG 4.15Å
33F60.5Low78Confident48 Ų4825.4 Ų25.421%0.21113%0.133CC..  trans-104.183.5168.6-56.9-85.1000107.9F29 P70 L105 L113 W135F29-F33 AromaticContact CZ-CE2 3.92Å; F29-F33 HydrophobicContact CZ-CE2 3.92Å; F29-F33 HydrophobicContact CZ-CZ 4.04Å; F33-P70 HydrophobicContact CD1-CB 3.94Å; F33-P70 HydrophobicContact CD1-CG 4.2Å; F33-P70 HydrophobicContact CD2-CG 4.32Å; F33-P70 HydrophobicContact CE1-CB 3.19Å; F33-P70 HydrophobicContact CE1-CG 3.69Å; F33-P70 HydrophobicContact CE2-CB 4.2Å; F33-P70 HydrophobicContact CE2-CG 3.83Å; F33-P70 HydrophobicContact CG-CG 4.49Å; F33-P70 HydrophobicContact CZ-CB 3.35Å; F33-P70 HydrophobicContact CZ-CG 3.49Å; F33-P70 VanDerWaalsContact CZ-CG 3.49Å; F33-L105 HydrophobicContact CD1-CD1 4.25Å; F33-L105 HydrophobicContact CD1-CD2 4.34Å; F33-L105 HydrophobicContact CE1-CD1 4.12Å; F33-L105 HydrophobicContact CE1-CD2 3.75Å; F33-L105 HydrophobicContact CE1-CG 4.43Å; F33-L113 HydrophobicContact CE1-CD2 4.42Å; F33-L113 HydrophobicContact CE2-CD2 4.45Å; F33-L113 HydrophobicContact CZ-CD2 3.99Å; F33-W135 HydrophobicContact CD2-CZ2 4.22Å; F33-W135 HydrophobicContact CE2-CZ2 4.05Å
34S61.5Low79.4Confident8 Ų822 Ų226%0.05612%0.115CC..  trans-130.9149.6173.267.20000108.7W36S34-W36 PolarHBondContact O-N 3.43Å
35D63.2Low80.4Confident84 Ų8421.1 Ų21.145%0.44911%0.105SC..  trans-6610.9176.4-50.4-37.4000113.1I37 H106D35-I37 HydrophobicContact CB-CD1 3.97Å; D35-I37 HydrophobicContact CB-CG1 3.98Å; D35-I37 PolarHBondContact O-N 3.14Å; D35-H106 IonicContact OD1-CE1 3.07Å; D35-H106 PolarHBondContact OD1-CE1 3.24Å; D35-H106 IonicContact OD1-ND1 3.88Å; D35-H106 IonicContact OD1-NE2 3.34Å; D35-H106 PolarHBondContact OD1-NE2 3.28Å
36W72.4Confident80.8Confident25 Ų2518.5 Ų18.510%0.0959%0.091CC..SBendtrans53.523.7-178.9-66.994.2000114.1V32 S34 A41 L45 L48 F75 I171V32-W36 HydrophobicContact CG1-CH2 3.96Å; V32-W36 HydrophobicContact CG1-CZ2 3.75Å; S34-W36 PolarHBondContact O-N 3.43Å; W36-A41 HydrophobicContact CB-CB 4.46Å; W36-A41 HydrophobicContact CE3-CB 4.34Å; W36-A41 WeakPolarHBondContact O-CB 3.22Å; W36-L45 HydrophobicContact CZ3-CB 4.3Å; W36-L48 HydrophobicContact CH2-CD1 3.49Å; W36-L48 VanDerWaalsContact CH2-CD1 3.49Å; W36-L48 HydrophobicContact CH2-CG 4.19Å; W36-L48 HydrophobicContact CZ2-CD1 4Å; W36-F75 AromaticContact CD2-CE2 3.9Å; W36-F75 HydrophobicContact CD2-CE2 3.9Å; W36-F75 AromaticContact CE2-CE2 3.62Å; W36-F75 HydrophobicContact CE3-CE2 4.48Å; W36-F75 HydrophobicContact CG-CE2 4.21Å; W36-F75 HydrophobicContact CZ2-CE2 4.01Å; W36-F75 HydrophobicContact CZ2-CZ 4.35Å; W36-F75 AromaticContact NE1-CE2 3.76Å; W36-I171 HydrophobicContact CB-CG2 4.36Å; W36-I171 HydrophobicContact CE3-CB 4.41Å; W36-I171 HydrophobicContact CE3-CG1 4.42Å; W36-I171 HydrophobicContact CE3-CG2 4.07Å; W36-I171 PolarHBondContact O-N 3.48Å; W36-I171 VanDerWaalsContact O-N 3.1Å
37I73.1Confident81Confident58 Ų5818.4 Ų18.430%0.2979%0.09SC..BIsolated β-bridgetrans-107.2159.2168.766.8-172.4000110.6D35 A41 F168 F169D35-I37 HydrophobicContact CB-CD1 3.97Å; D35-I37 HydrophobicContact CB-CG1 3.98Å; D35-I37 PolarHBondContact O-N 3.14Å; I37-A41 WeakPolarHBondContact O-CB 2.96Å; I37-A41 PolarHBondContact O-N 2.63Å; I37-F168 HydrophobicContact CB-CD1 4.44Å; I37-F168 HydrophobicContact CD1-CD1 3.77Å; I37-F168 HydrophobicContact CD1-CE1 4.06Å; I37-F168 HydrophobicContact CG1-CD1 4.02Å; I37-F168 HydrophobicContact CG1-CE1 4.48Å; I37-F169 CarbonylContact C-O 3.58Å; I37-F169 WeakPolarHBondContact CA-O 3.22Å
38D82.3Confident81Confident19 Ų1918.9 Ų18.910%0.1029%0.093CC..Hα-helixtrans57.8-166175.872.252.8000115.1R40 A41 F168 F169D38-R40 PolarHBondContact O-N 2.96Å; D38-R40 WeakPolarHBondContact OD1-CA 3.46Å; D38-R40 WeakPolarHBondContact OD1-CB 3.41Å; D38-R40 WeakPolarHBondContact OD1-CG 3.34Å; D38-R40 PolarHBondContact OD1-N 3.12Å; D38-R40 IonicContact OD1-NE 3.06Å; D38-R40 PolarHBondContact OD1-NE 3.48Å; D38-R40 IonicContact OD2-CZ 3.53Å; D38-R40 VanDerWaalsContact OD2-CZ 3.25Å; D38-R40 IonicContact OD2-NE 2.99Å; D38-R40 PolarHBondContact OD2-NE 2.63Å; D38-R40 IonicContact OD2-NH2 2.69Å; D38-R40 PolarHBondContact OD2-NH2 3.39Å; D38-A41 WeakPolarHBondContact O-CB 3.5Å; D38-A41 PolarHBondContact O-N 2.84Å; D38-A41 VanDerWaalsContact O-N 3.15Å; D38-F168 HydrophobicContact CB-CD1 3.9Å; D38-F168 HydrophobicContact CB-CE1 4.37Å; D38-F168 WeakPolarHBondContact OD2-CE1 3.21Å; D38-F169 PolarHBondContact N-O 2.67Å; D38-F169 VanDerWaalsContact O-CZ 3.28Å; D38-F169 WeakPolarHBondContact O-CZ 3.48Å
39S87.7Confident81.1Confident39 Ų3919.3 Ų19.327%0.27310%0.095SC..Hα-helixtrans-65.9-22.2-177.571.70000113.4A41 I42 T43 V161S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact O-N 3.36Å; S39-I42 PolarHBondContact O-N 3.48Å; S39-T43 PolarHBondContact O-N 2.96Å; S39-T43 VanDerWaalsContact O-N 3.07Å; S39-T43 PolarHBondContact O-OG1 3.34Å; S39-V161 WeakPolarHBondContact CB-O 3.49Å; S39-V161 PolarHBondContact OG-O 2.86Å
40R86.2Confident81.4Confident92 Ų9219.4 Ų19.435%0.34710%0.096SC..Hα-helixtrans-63.5-36.6172.3-64.1175.8-67.7165.82.9111D38 T43 G44 F134D38-R40 PolarHBondContact O-N 2.96Å; D38-R40 WeakPolarHBondContact OD1-CA 3.46Å; D38-R40 WeakPolarHBondContact OD1-CB 3.41Å; D38-R40 WeakPolarHBondContact OD1-CG 3.34Å; D38-R40 PolarHBondContact OD1-N 3.12Å; D38-R40 IonicContact OD1-NE 3.06Å; D38-R40 PolarHBondContact OD1-NE 3.48Å; D38-R40 IonicContact OD2-CZ 3.53Å; D38-R40 VanDerWaalsContact OD2-CZ 3.25Å; D38-R40 IonicContact OD2-NE 2.99Å; D38-R40 PolarHBondContact OD2-NE 2.63Å; D38-R40 IonicContact OD2-NH2 2.69Å; D38-R40 PolarHBondContact OD2-NH2 3.39Å; R40-T43 CarbonylContact O-C 3.42Å; R40-T43 WeakPolarHBondContact O-CB 3.42Å; R40-T43 PolarHBondContact O-N 3.33Å; R40-G44 PolarHBondContact O-N 2.81Å; R40-F134 HydrophobicContact CB-CE1 4.01Å; R40-F134 HydrophobicContact CB-CZ 4Å; R40-F134 HydrophobicContact CG-CD1 4.33Å; R40-F134 HydrophobicContact CG-CE1 3.99Å; R40-F134 HydrophobicContact CG-CZ 4.26Å
41A85.1Confident81.7Confident0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-64-41.5176.300000112.9W36 I37 D38 S39 T43 G44 L45 I171W36-A41 HydrophobicContact CB-CB 4.46Å; W36-A41 HydrophobicContact CE3-CB 4.34Å; W36-A41 WeakPolarHBondContact O-CB 3.22Å; I37-A41 WeakPolarHBondContact O-CB 2.96Å; I37-A41 PolarHBondContact O-N 2.63Å; D38-A41 WeakPolarHBondContact O-CB 3.5Å; D38-A41 PolarHBondContact O-N 2.84Å; D38-A41 VanDerWaalsContact O-N 3.15Å; S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact O-N 3.36Å; A41-T43 VanDerWaalsContact C-N 3.31Å; A41-G44 PolarHBondContact O-N 2.78Å; A41-L45 PolarHBondContact O-N 3.13Å; A41-I171 HydrophobicContact CB-CB 3.89Å; A41-I171 HydrophobicContact CB-CD1 4.27Å; A41-I171 HydrophobicContact CB-CG1 4.44Å
42I90.1Very high82.5Confident0 Ų020.3 Ų20.30%010%0.099CC..Hα-helixtrans-67.9-36.9176.4-50.4-176.2000110.1S39 G44 L45 R46 V161 V163 F169 I171 Y174 L213 V224 L226S39-I42 PolarHBondContact O-N 3.48Å; I42-G44 VanDerWaalsContact C-N 3.33Å; I42-L45 PolarHBondContact O-N 3.15Å; I42-R46 WeakPolarHBondContact O-CB 2.79Å; I42-R46 PolarHBondContact O-N 2.85Å; I42-V161 HydrophobicContact CB-CB 4.12Å; I42-V161 HydrophobicContact CB-CG1 3.89Å; I42-V161 HydrophobicContact CB-CG2 4.32Å; I42-V161 HydrophobicContact CD1-CG1 4.44Å; I42-V161 HydrophobicContact CG2-CB 4.18Å; I42-V161 HydrophobicContact CG2-CG1 3.7Å; I42-V161 HydrophobicContact CG2-CG2 4.03Å; I42-V163 HydrophobicContact CD1-CG2 3.64Å; I42-F169 HydrophobicContact CD1-CE2 3.84Å; I42-F169 HydrophobicContact CD1-CZ 3.85Å; I42-F169 HydrophobicContact CG1-CE2 4.05Å; I42-F169 HydrophobicContact CG1-CZ 4.23Å; I42-I171 HydrophobicContact CB-CD1 4.15Å; I42-I171 HydrophobicContact CG1-CD1 3.6Å; I42-Y174 HydrophobicContact CD1-CD1 4.39Å; I42-Y174 HydrophobicContact CD1-CD2 4.01Å; I42-Y174 HydrophobicContact CD1-CG 3.87Å; I42-Y174 HydrophobicContact CG1-CD1 4.37Å; I42-Y174 HydrophobicContact CG1-CG 4.26Å; I42-Y174 HydrophobicContact CG2-CD1 4.32Å; I42-Y174 HydrophobicContact CG2-CE1 4.17Å; I42-L213 HydrophobicContact CG2-CD1 4.43Å; I42-L213 HydrophobicContact CG2-CD2 3.77Å; I42-V224 HydrophobicContact CD1-CB 4.44Å; I42-V224 HydrophobicContact CD1-CG1 4.03Å; I42-V224 HydrophobicContact CG2-CG2 4.48Å; I42-L226 HydrophobicContact CD1-CD2 4.34Å
43T91Very high83.6Confident1 Ų120.4 Ų20.41%0.00610%0.1CC..Hα-helixtrans-64.1-39.8173-48.40000111.6S39 R40 A41 R46 T47 P132 F134 V161S39-T43 PolarHBondContact O-N 2.96Å; S39-T43 VanDerWaalsContact O-N 3.07Å; S39-T43 PolarHBondContact O-OG1 3.34Å; R40-T43 CarbonylContact O-C 3.42Å; R40-T43 WeakPolarHBondContact O-CB 3.42Å; R40-T43 PolarHBondContact O-N 3.33Å; A41-T43 VanDerWaalsContact C-N 3.31Å; T43-R46 WeakPolarHBondContact O-CB 3.31Å; T43-R46 PolarHBondContact O-N 3.13Å; T43-T47 WeakPolarHBondContact O-CB 3.44Å; T43-T47 PolarHBondContact O-N 3.26Å; T43-T47 PolarHBondContact O-OG1 2.86Å; T43-P132 HydrophobicContact CG2-CB 3.61Å; T43-F134 HydrophobicContact CG2-CD1 4.4Å; T43-F134 HydrophobicContact CG2-CE1 3.73Å; T43-V161 WeakPolarHBondContact OG1-CB 3.41Å; T43-V161 PolarHBondContact OG1-N 3.1Å
44G87.5Confident85.1Confident0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-58.7-49.7171.700000111.8R40 A41 I42 R46 T47 L48R40-G44 PolarHBondContact O-N 2.81Å; A41-G44 PolarHBondContact O-N 2.78Å; I42-G44 VanDerWaalsContact C-N 3.33Å; G44-R46 VanDerWaalsContact C-N 3.34Å; G44-R46 PolarHBondContact O-N 3.35Å; G44-T47 WeakPolarHBondContact O-CB 3.39Å; G44-T47 PolarHBondContact O-N 2.87Å; G44-T47 VanDerWaalsContact O-N 3.12Å; G44-L48 WeakPolarHBondContact O-CG 3.31Å; G44-L48 PolarHBondContact O-N 2.87Å
45L88.2Confident86.4Confident2 Ų217.7 Ų17.71%0.019%0.087CC..Hα-helixtrans-58-44.2175179.859000112.2W36 A41 I42 T47 L48 L49 Y85 W88 I171 Y174 I209 L213W36-L45 HydrophobicContact CZ3-CB 4.3Å; A41-L45 PolarHBondContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 3.15Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.19Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-L49 HydrophobicContact CD1-CD1 4.44Å; L45-L49 HydrophobicContact CD1-CG 4.28Å; L45-L49 HydrophobicContact CG-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.82Å; L45-Y85 HydrophobicContact CD1-CE1 4.05Å; L45-W88 HydrophobicContact CD1-CE3 4.42Å; L45-W88 HydrophobicContact CD1-CH2 4.24Å; L45-W88 HydrophobicContact CD1-CZ3 3.73Å; L45-W88 HydrophobicContact CD2-CH2 4.34Å; L45-W88 HydrophobicContact CD2-CZ3 4.48Å; L45-I171 HydrophobicContact CB-CD1 4.37Å; L45-I171 HydrophobicContact CD2-CD1 4.12Å; L45-I171 HydrophobicContact CD2-CG1 4.38Å; L45-Y174 HydrophobicContact CD2-CD1 4.35Å; L45-Y174 HydrophobicContact CD2-CE1 4.12Å; L45-I209 HydrophobicContact CD2-CG2 4.07Å; L45-L213 HydrophobicContact CD2-CD1 4.1Å; L45-L213 HydrophobicContact CG-CD1 4.04Å
46R92.2Very high87.7Confident1 Ų114.9 Ų14.90%0.0047%0.071CC..Hα-helixtrans-58.8-43.6175.1-178.3179-170.3-158.6-0.1111.8I42 T43 G44 L49 L50 V158 G159 L213 L214 R217 A218 K220I42-R46 WeakPolarHBondContact O-CB 2.79Å; I42-R46 PolarHBondContact O-N 2.85Å; T43-R46 WeakPolarHBondContact O-CB 3.31Å; T43-R46 PolarHBondContact O-N 3.13Å; G44-R46 VanDerWaalsContact C-N 3.34Å; G44-R46 PolarHBondContact O-N 3.35Å; R46-L49 PolarHBondContact O-N 3Å; R46-L50 PolarHBondContact O-N 3.48Å; R46-V158 HydrophobicContact CB-CG1 4.33Å; R46-V158 HydrophobicContact CG-CG1 3.72Å; R46-G159 PolarHBondContact NH1-O 3.3Å; R46-L213 HydrophobicContact CB-CB 4.2Å; R46-L213 HydrophobicContact CB-CD1 4.26Å; R46-L213 HydrophobicContact CG-CB 4.07Å; R46-L213 PolarHBondContact NE-O 3.39Å; R46-L214 HydrophobicContact CG-CD2 4.35Å; R46-R217 PolarHBondContact NH2-O 2.97Å; R46-A218 PolarHBondContact NH2-O 3.06Å; R46-K220 PolarHBondContact NH1-O 3.46Å; R46-K220 PolarHBondContact NH2-O 3.28Å; R46-K220 VanDerWaalsContact NH2-O 3.1Å
47T90.5Very high88.6Confident0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-62.8-44.9176.9-54.90000110.8V32 T43 G44 L45 L50 T51 V130 V158V32-T47 HydrophobicContact CG2-CG2 3.75Å; T43-T47 WeakPolarHBondContact O-CB 3.44Å; T43-T47 PolarHBondContact O-N 3.26Å; T43-T47 PolarHBondContact O-OG1 2.86Å; G44-T47 WeakPolarHBondContact O-CB 3.39Å; G44-T47 PolarHBondContact O-N 2.87Å; G44-T47 VanDerWaalsContact O-N 3.12Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.19Å; T47-L50 PolarHBondContact O-N 3.29Å; T47-T51 WeakPolarHBondContact O-CB 3.22Å; T47-T51 PolarHBondContact O-N 3.49Å; T47-T51 PolarHBondContact O-OG1 3.06Å; T47-V130 HydrophobicContact CG2-CB 4.44Å; T47-V130 HydrophobicContact CG2-CG1 3.95Å; T47-V130 WeakPolarHBondContact CG2-O 3.41Å; T47-V158 HydrophobicContact CG2-CG2 4.2Å
48L88.1Confident89.4Confident11 Ų1110.9 Ų10.96%0.0585%0.052CC..Hα-helixtrans-60.6-48.8175.5-68.8-167.7000112V32 W36 G44 L45 L50 T51 R52 L69V32-L48 HydrophobicContact CB-CD2 4.36Å; V32-L48 HydrophobicContact CG2-CD2 3.9Å; V32-L48 HydrophobicContact CG2-CG 4.15Å; W36-L48 HydrophobicContact CH2-CD1 3.49Å; W36-L48 VanDerWaalsContact CH2-CD1 3.49Å; W36-L48 HydrophobicContact CH2-CG 4.19Å; W36-L48 HydrophobicContact CZ2-CD1 4Å; G44-L48 WeakPolarHBondContact O-CG 3.31Å; G44-L48 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.45Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3Å; L48-T51 PolarHBondContact O-N 2.95Å; L48-R52 WeakPolarHBondContact O-CB 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.04Å; L48-R52 PolarHBondContact O-N 3.21Å; L48-L69 HydrophobicContact CD2-CD1 3.93Å; L48-L69 HydrophobicContact CD2-CD2 3.42Å; L48-L69 VanDerWaalsContact CD2-CD2 3.42Å; L48-L69 HydrophobicContact CD2-CG 4.14Å
49L90.2Very high89.6Confident10 Ų1012.5 Ų12.55%0.0526%0.059CC..Hα-helixtrans-60.4-41.8-180-70173.1000111.7L45 R46 C53 W88 I209 L213 L214L45-L49 HydrophobicContact CD1-CD1 4.44Å; L45-L49 HydrophobicContact CD1-CG 4.28Å; L45-L49 HydrophobicContact CG-CD1 4.27Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.82Å; R46-L49 PolarHBondContact O-N 3Å; L49-C53 WeakPolarHBondContact O-CB 3.34Å; L49-C53 PolarHBondContact O-N 3.17Å; L49-W88 HydrophobicContact CD2-CD2 3.89Å; L49-W88 HydrophobicContact CD2-CE3 4.26Å; L49-W88 HydrophobicContact CD2-CG 4.22Å; L49-W88 HydrophobicContact CD2-CZ2 4.25Å; L49-I209 HydrophobicContact CD1-CG2 4.2Å; L49-L213 HydrophobicContact CD1-CB 4.48Å; L49-L213 HydrophobicContact CD1-CD1 3.87Å; L49-L214 HydrophobicContact CB-CD1 3.97Å; L49-L214 HydrophobicContact CB-CD2 4.26Å; L49-L214 HydrophobicContact CB-CG 4.25Å
50L92.8Very high89.6Confident6 Ų611.3 Ų11.33%0.0315%0.05CC..Hα-helixtrans-64.1-49.8174.9-177.863.7000111.2R46 T47 L48 R52 C53 L54 V130 V156 V158 L214 A218 E314R46-L50 PolarHBondContact O-N 3.48Å; T47-L50 PolarHBondContact O-N 3.29Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3Å; L50-R52 VanDerWaalsContact C-N 3.25Å; L50-R52 PolarHBondContact O-N 2.86Å; L50-C53 WeakPolarHBondContact O-CB 3.38Å; L50-C53 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CD1-CD2 4.4Å; L50-L54 HydrophobicContact CD1-CG 4.34Å; L50-L54 HydrophobicContact CG-CD1 4.37Å; L50-L54 HydrophobicContact CG-CG 4.4Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.82Å; L50-V130 HydrophobicContact CD2-CG1 4.05Å; L50-V130 HydrophobicContact CG-CG1 4.4Å; L50-V156 HydrophobicContact CD2-CG1 3.99Å; L50-V158 HydrophobicContact CD2-CG2 3.65Å; L50-L214 HydrophobicContact CB-CD2 4.02Å; L50-A218 HydrophobicContact CD2-CB 3.52Å; L50-E314 HydrophobicContact CD1-CG 4.44Å
51T90.9Very high89.5Confident0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-54.9-44179.7-50.80000111.3F28 T47 L48 L54 C55 L67 V130F28-T51 HydrophobicContact CB-CG2 3.9Å; T47-T51 WeakPolarHBondContact O-CB 3.22Å; T47-T51 PolarHBondContact O-N 3.49Å; T47-T51 PolarHBondContact O-OG1 3.06Å; L48-T51 PolarHBondContact O-N 2.95Å; T51-L54 PolarHBondContact O-N 2.88Å; T51-C55 WeakPolarHBondContact O-CB 3.41Å; T51-C55 PolarHBondContact O-N 3Å; T51-L67 HydrophobicContact CG2-CD1 3.48Å; T51-L67 VanDerWaalsContact CG2-CD1 3.48Å; T51-V130 HydrophobicContact CG2-CB 4.38Å; T51-V130 HydrophobicContact CG2-CG2 4.07Å; T51-V130 VanDerWaalsContact OG1-CB 3.27Å; T51-V130 WeakPolarHBondContact OG1-CB 3.41Å; T51-V130 WeakPolarHBondContact OG1-CG1 3.39Å
52R89.7Confident89.4Confident19 Ų197.9 Ų7.97%0.0724%0.043CC..Hα-helixtrans-62.7-45.3176.4-71.8179.678.770.93.1112.3L48 L50 L54 C55 K56 L67 W88 Q89 F92L48-R52 WeakPolarHBondContact O-CB 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.04Å; L48-R52 PolarHBondContact O-N 3.21Å; L50-R52 VanDerWaalsContact C-N 3.25Å; L50-R52 PolarHBondContact O-N 2.86Å; R52-L54 VanDerWaalsContact C-N 3.33Å; R52-L54 PolarHBondContact O-N 3.37Å; R52-C55 PolarHBondContact O-N 2.74Å; R52-K56 PolarHBondContact O-N 2.83Å; R52-L67 HydrophobicContact CG-CD2 3.78Å; R52-W88 PolarHBondContact NE-O 2.75Å; R52-W88 PolarHBondContact NH2-O 3.49Å; R52-Q89 VanDerWaalsContact NH2-C 3.31Å; R52-Q89 PolarHBondContact NH2-O 2.69Å; R52-F92 HydrophobicContact CB-CE1 4.2Å; R52-F92 HydrophobicContact CB-CZ 3.74Å; R52-F92 HydrophobicContact CG-CE1 4.45Å; R52-F92 HydrophobicContact CG-CZ 4.13Å; R52-F92 WeakPolarHBondContact O-CE1 3.48Å; R52-F92 WeakPolarHBondContact O-CZ 3.42Å
53C92Very high89.1Confident5 Ų58.3 Ų8.33%0.0345%0.046CC..Hα-helixtrans-58.8-46.8177-177.60000111.1L49 L50 C55 K56 I57 L369L49-C53 WeakPolarHBondContact O-CB 3.34Å; L49-C53 PolarHBondContact O-N 3.17Å; L50-C53 WeakPolarHBondContact O-CB 3.38Å; L50-C53 PolarHBondContact O-N 3.44Å; C53-C55 PolarHBondContact O-N 3.03Å; C53-K56 PolarHBondContact O-N 3.41Å; C53-I57 WeakPolarHBondContact O-CD1 3.49Å; C53-I57 WeakPolarHBondContact O-CG1 3.38Å; C53-I57 PolarHBondContact O-N 3.35Å; C53-L369 WeakPolarHBondContact CA-O 3.41Å
54L92.5Very high88.9Confident0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-62.3-43.7177.5-61.2-172.2000112.4F28 L50 T51 R52 K56 I57 A58 V130 V156 M299 F312 P315F28-L54 HydrophobicContact CD1-CB 3.85Å; F28-L54 HydrophobicContact CE1-CB 3.58Å; L50-L54 HydrophobicContact CD1-CD2 4.4Å; L50-L54 HydrophobicContact CD1-CG 4.34Å; L50-L54 HydrophobicContact CG-CD1 4.37Å; L50-L54 HydrophobicContact CG-CG 4.4Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.82Å; T51-L54 PolarHBondContact O-N 2.88Å; R52-L54 VanDerWaalsContact C-N 3.33Å; R52-L54 PolarHBondContact O-N 3.37Å; L54-K56 PolarHBondContact O-N 2.89Å; L54-I57 HydrophobicContact CD2-CD1 4.38Å; L54-I57 PolarHBondContact O-N 3.46Å; L54-A58 PolarHBondContact O-N 3.07Å; L54-V130 HydrophobicContact CD1-CG2 4.13Å; L54-V156 HydrophobicContact CD1-CG2 4.37Å; L54-M299 HydrophobicContact CB-CE 3.94Å; L54-M299 HydrophobicContact CD2-CE 4.03Å; L54-M299 VanDerWaalsContact O-CE 3.29Å; L54-M299 WeakPolarHBondContact O-CE 3.2Å; L54-F312 HydrophobicContact CD1-CE1 3.99Å; L54-F312 HydrophobicContact CD1-CE2 4.13Å; L54-F312 HydrophobicContact CD1-CZ 3.42Å; L54-F312 VanDerWaalsContact CD1-CZ 3.42Å; L54-F312 HydrophobicContact CD2-CE1 4.21Å; L54-F312 HydrophobicContact CD2-CZ 3.54Å; L54-F312 HydrophobicContact CG-CZ 4.1Å; L54-P315 HydrophobicContact CD2-CG 3.91Å
55C90Very high88.8Confident0 Ų011.7 Ų11.70%07%0.066CC..Hα-helixtrans-60.7-44.5176.3177.70000111.6F28 T51 R52 C53 I57 A58 E59 L67 F92F28-C55 HydrophobicContact CB-CB 4.1Å; F28-C55 HydrophobicContact CD1-CB 4.37Å; F28-C55 HydrophobicContact CD2-CB 3.8Å; F28-C55 HydrophobicContact CE2-CB 4.36Å; F28-C55 HydrophobicContact CG-CB 3.81Å; T51-C55 WeakPolarHBondContact O-CB 3.41Å; T51-C55 PolarHBondContact O-N 3Å; R52-C55 PolarHBondContact O-N 2.74Å; C53-C55 PolarHBondContact O-N 3.03Å; C55-I57 VanDerWaalsContact C-N 3.33Å; C55-I57 PolarHBondContact O-N 2.92Å; C55-A58 WeakPolarHBondContact O-CB 3.48Å; C55-A58 PolarHBondContact O-N 3.19Å; C55-A58 VanDerWaalsContact O-N 3.15Å; C55-E59 WeakPolarHBondContact O-CG 3.49Å; C55-E59 PolarHBondContact O-N 2.77Å; C55-L67 HydrophobicContact CB-CD1 4.46Å; C55-F92 HydrophobicContact CB-CD1 4.38Å; C55-F92 HydrophobicContact CB-CE1 3.9Å
56K89.3Confident88.6Confident24 Ų2413.3 Ų13.310%0.1047%0.074CC..Hα-helixtrans-62.6-37.4175.1-76.5-77.4159.8-151.50113.5R52 C53 L54 A58 E59 S60 G91 F92 L369R52-K56 PolarHBondContact O-N 2.83Å; C53-K56 PolarHBondContact O-N 3.41Å; L54-K56 PolarHBondContact O-N 2.89Å; K56-A58 VanDerWaalsContact C-N 3.34Å; K56-E59 WeakPolarHBondContact CD-OE2 3.24Å; K56-E59 WeakPolarHBondContact CE-OE2 3.49Å; K56-E59 IonicContact NZ-OE1 3.59Å; K56-E59 IonicContact NZ-OE2 2.72Å; K56-E59 PolarHBondContact NZ-OE2 2.83Å; K56-E59 PolarHBondContact O-N 3.18Å; K56-S60 WeakPolarHBondContact O-CB 3.5Å; K56-S60 PolarHBondContact O-N 3.19Å; K56-S60 PolarHBondContact O-OG 2.82Å; K56-G91 PolarHBondContact NZ-O 2.74Å; K56-F92 HydrophobicContact CD-CE1 4.22Å; K56-F92 HydrophobicContact CD-CE2 4.15Å; K56-F92 HydrophobicContact CD-CZ 3.87Å; K56-F92 HydrophobicContact CG-CE1 3.67Å; K56-F92 HydrophobicContact CG-CE2 3.98Å; K56-F92 HydrophobicContact CG-CZ 3.26Å; K56-L369 HydrophobicContact CB-CD2 4.18Å
57I91.4Very high88.2Confident0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-65.6-41.5175.8-64.6159.8000109.8C53 L54 C55 S60 I61 A295 M299 P315 L317 L369C53-I57 WeakPolarHBondContact O-CD1 3.49Å; C53-I57 WeakPolarHBondContact O-CG1 3.38Å; C53-I57 PolarHBondContact O-N 3.35Å; L54-I57 HydrophobicContact CD2-CD1 4.38Å; L54-I57 PolarHBondContact O-N 3.46Å; C55-I57 VanDerWaalsContact C-N 3.33Å; C55-I57 PolarHBondContact O-N 2.92Å; I57-S60 WeakPolarHBondContact CA-OG 3.34Å; I57-S60 PolarHBondContact O-N 2.82Å; I57-S60 PolarHBondContact O-OG 2.82Å; I57-I61 PolarHBondContact O-N 3.34Å; I57-A295 HydrophobicContact CD1-CB 3.87Å; I57-A295 HydrophobicContact CG1-CB 4.08Å; I57-A295 HydrophobicContact CG2-CB 4.06Å; I57-A295 WeakPolarHBondContact CG2-O 3.44Å; I57-M299 HydrophobicContact CB-CE 4.06Å; I57-M299 HydrophobicContact CG2-CB 3.5Å; I57-M299 HydrophobicContact CG2-CE 4.07Å; I57-M299 HydrophobicContact CG2-CG 4.01Å; I57-P315 HydrophobicContact CD1-CB 3.67Å; I57-P315 HydrophobicContact CD1-CG 3.59Å; I57-L317 HydrophobicContact CD1-CD1 4.34Å; I57-L369 HydrophobicContact CG1-CB 4.39Å; I57-L369 HydrophobicContact CG1-CD1 4.11Å; I57-L369 HydrophobicContact CG1-CD2 4Å; I57-L369 HydrophobicContact CG1-CG 4.39Å
58A89.2Confident87.8Confident0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-62.8-45.1174.600000112.3F28 L54 C55 K56 S60 I61 V63 A65 M299 L303F28-A58 HydrophobicContact CE2-CB 3.53Å; F28-A58 HydrophobicContact CZ-CB 3.54Å; L54-A58 PolarHBondContact O-N 3.07Å; C55-A58 WeakPolarHBondContact O-CB 3.48Å; C55-A58 PolarHBondContact O-N 3.19Å; C55-A58 VanDerWaalsContact O-N 3.15Å; K56-A58 VanDerWaalsContact C-N 3.34Å; A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 2.89Å; A58-I61 WeakPolarHBondContact O-CG1 3.46Å; A58-I61 PolarHBondContact O-N 3.18Å; A58-V63 HydrophobicContact CB-CB 4.35Å; A58-V63 HydrophobicContact CB-CG1 4.49Å; A58-V63 WeakPolarHBondContact O-CB 3.38Å; A58-V63 PolarHBondContact O-N 2.93Å; A58-A65 HydrophobicContact CB-CB 3.96Å; A58-M299 HydrophobicContact CB-CG 4.24Å; A58-M299 HydrophobicContact CB-SD 4.46Å; A58-L303 HydrophobicContact CB-CD1 4.46Å
59E87.4Confident87Confident52 Ų5213.4 Ų13.424%0.2437%0.074CC..Hα-helixtrans-58.6-38.8174-67.3177.3162.900111.8C55 K56 I61 G62 A65C55-E59 WeakPolarHBondContact O-CG 3.49Å; C55-E59 PolarHBondContact O-N 2.77Å; K56-E59 WeakPolarHBondContact CD-OE2 3.24Å; K56-E59 WeakPolarHBondContact CE-OE2 3.49Å; K56-E59 IonicContact NZ-OE1 3.59Å; K56-E59 IonicContact NZ-OE2 2.72Å; K56-E59 PolarHBondContact NZ-OE2 2.83Å; K56-E59 PolarHBondContact O-N 3.18Å; E59-I61 PolarHBondContact O-N 3.42Å; E59-G62 PolarHBondContact O-N 2.85Å; E59-G62 VanDerWaalsContact O-N 3.14Å; E59-A65 HydrophobicContact CG-CB 3.81Å
60S87.1Confident85.7Confident14 Ų1413 Ų1310%0.0987%0.072CC..THydrogen-bonded Turntrans-71-5.517874.30000114.8A15 K56 I57 A58A15-S60 CarbonylContact C-O 3.6Å; A15-S60 VanDerWaalsContact C-O 3.28Å; A15-S60 VanDerWaalsContact CA-O 3.22Å; A15-S60 WeakPolarHBondContact CA-O 3.33Å; A15-S60 CarbonylContact O-C 3.57Å; A15-S60 WeakPolarHBondContact O-CA 3.48Å; K56-S60 WeakPolarHBondContact O-CB 3.5Å; K56-S60 PolarHBondContact O-N 3.19Å; K56-S60 PolarHBondContact O-OG 2.82Å; I57-S60 WeakPolarHBondContact CA-OG 3.34Å; I57-S60 PolarHBondContact O-N 2.82Å; I57-S60 PolarHBondContact O-OG 2.82Å; A58-S60 VanDerWaalsContact C-N 3.26Å; A58-S60 PolarHBondContact O-N 2.89Å
61I85.4Confident83.9Confident5 Ų514.9 Ų14.93%0.0268%0.082CC..THydrogen-bonded Turntrans-111.515.9172.162.9166.3000112.3I57 A58 E59 V63 E296 M299 R300 L303I57-I61 PolarHBondContact O-N 3.34Å; A58-I61 WeakPolarHBondContact O-CG1 3.46Å; A58-I61 PolarHBondContact O-N 3.18Å; E59-I61 PolarHBondContact O-N 3.42Å; I61-V63 HydrophobicContact CD1-CG2 4.1Å; I61-V63 HydrophobicContact CG1-CG2 4Å; I61-E296 HydrophobicContact CG2-CB 3.39Å; I61-E296 HydrophobicContact CG2-CG 3.63Å; I61-M299 HydrophobicContact CD1-CB 4.05Å; I61-M299 HydrophobicContact CD1-CG 3.67Å; I61-R300 HydrophobicContact CB-CG 4.2Å; I61-R300 HydrophobicContact CD1-CB 4.44Å; I61-R300 HydrophobicContact CD1-CG 3.6Å; I61-R300 HydrophobicContact CG1-CG 4.49Å; I61-R300 HydrophobicContact CG2-CG 4.2Å; I61-L303 HydrophobicContact CD1-CD1 4.09Å
62G82.8Confident81.8Confident16 Ų1617 Ų1717%0.16510%0.096CC..THydrogen-bonded Turntrans85.35.5175.700000115.6D18 E59D18-G62 WeakPolarHBondContact O-CA 3.37Å; D18-G62 PolarHBondContact O-N 3.08Å; E59-G62 PolarHBondContact O-N 2.85Å; E59-G62 VanDerWaalsContact O-N 3.14Å
63V83.7Confident79.5Confident9 Ų920.2 Ų20.26%0.05513%0.134CC..  trans-79.3139.5179173.20000110N23 V26 A58 I61 A65 L303N23-V63 HydrophobicContact CB-CG2 4.1Å; V26-V63 HydrophobicContact CB-CG1 3.75Å; V26-V63 HydrophobicContact CG2-CG1 3.4Å; A58-V63 HydrophobicContact CB-CB 4.35Å; A58-V63 HydrophobicContact CB-CG1 4.49Å; A58-V63 WeakPolarHBondContact O-CB 3.38Å; A58-V63 PolarHBondContact O-N 2.93Å; I61-V63 HydrophobicContact CD1-CG2 4.1Å; I61-V63 HydrophobicContact CG1-CG2 4Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.47Å; V63-L303 HydrophobicContact CG2-CD1 3.96Å
64V85.4Confident77.2Confident69 Ų6928.6 Ų28.642%0.41817%0.173SC..EExtended strand (participates in β ladder)trans-74.892.9168.6-177.10000107.7D25 V26 H66D25-V64 WeakPolarHBondContact OD1-CB 3.02Å; D25-V64 WeakPolarHBondContact OD1-CG1 3.28Å; V26-V64 PolarHBondContact N-O 3.44Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.49Å
65A85.8Confident75Confident2 Ų230.2 Ų30.22%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-95.4129.2-179.400000110.7V26 F28 A58 E59 V63V26-A65 CarbonylContact O-C 3.53Å; V26-A65 WeakPolarHBondContact O-CA 3.4Å; F28-A65 HydrophobicContact CD2-CB 4.02Å; F28-A65 HydrophobicContact CE2-CB 3.82Å; A58-A65 HydrophobicContact CB-CB 3.96Å; E59-A65 HydrophobicContact CG-CB 3.81Å; V63-A65 VanDerWaalsContact C-N 3.34Å; V63-A65 PolarHBondContact O-N 3.47Å
66H85.3Confident72.8Confident37 Ų3738.2 Ų38.217%0.17122%0.218CC..EExtended strand (participates in β ladder)trans-109.8128.1174.6-67.1-78.7000109.5V26 I27 F28 V64 L95V26-H66 PolarHBondContact O-N 3.46Å; I27-H66 HydrophobicContact CG1-CB 3.97Å; F28-H66 PolarHBondContact N-O 2.97Å; V64-H66 WeakPolarHBondContact CG1-NE2 3.49Å; H66-L95 HydrophobicContact CB-CD1 3.57Å; H66-L95 HydrophobicContact CB-CG 3.93Å
67L83.2Confident71Confident0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-92.9112.2173.9-177.366.6000109F28 T51 R52 C55 L69 F92 N93 V94 L95F28-L67 HydrophobicContact CB-CD1 4.28Å; T51-L67 HydrophobicContact CG2-CD1 3.48Å; T51-L67 VanDerWaalsContact CG2-CD1 3.48Å; R52-L67 HydrophobicContact CG-CD2 3.78Å; C55-L67 HydrophobicContact CB-CD1 4.46Å; L67-L69 HydrophobicContact CD1-CD2 3.74Å; L67-L69 HydrophobicContact CD1-CG 4.22Å; L67-L69 HydrophobicContact CD2-CD1 3.91Å; L67-L69 HydrophobicContact CD2-CD2 4.4Å; L67-L69 HydrophobicContact CD2-CG 4.11Å; L67-L69 HydrophobicContact CG-CD1 4.23Å; L67-L69 HydrophobicContact CG-CD2 3.96Å; L67-L69 HydrophobicContact CG-CG 3.86Å; L67-F92 HydrophobicContact CB-CD1 4.16Å; L67-F92 HydrophobicContact CD2-CB 4.47Å; L67-F92 HydrophobicContact CD2-CD1 3.9Å; L67-F92 HydrophobicContact CD2-CE1 4.28Å; L67-F92 HydrophobicContact CD2-CG 4.23Å; L67-N93 PolarHBondContact N-O 2.93Å; L67-V94 CarbonylContact O-C 3.4Å; L67-V94 WeakPolarHBondContact O-CA 3.32Å; L67-L95 PolarHBondContact O-N 3.44Å
68M80.9Confident69.1Low1 Ų140.8 Ų40.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-104.9111.8175.2-170.4177.5-178.400108.7I27 F28 F29 G30 L95 F97 F117 H120 V121I27-M68 HydrophobicContact CG2-CB 3.91Å; I27-M68 HydrophobicContact CG2-SD 4.28Å; F28-M68 PolarHBondContact O-N 3.11Å; F29-M68 WeakPolarHBondContact CA-O 3.35Å; F29-M68 HydrophobicContact CD2-CB 4.17Å; F29-M68 HydrophobicContact CD2-CG 3.98Å; F29-M68 WeakPolarHBondContact CD2-O 3.18Å; F29-M68 HydrophobicContact CD2-SD 4.17Å; G30-M68 PolarHBondContact N-O 2.99Å; G30-M68 VanDerWaalsContact N-O 3.08Å; M68-L95 HydrophobicContact CB-CB 4.41Å; M68-L95 HydrophobicContact CG-CB 4.46Å; M68-F97 HydrophobicContact CE-CB 3.55Å; M68-F97 HydrophobicContact CE-CD2 3.13Å; M68-F97 HydrophobicContact CE-CE2 3.91Å; M68-F97 HydrophobicContact CE-CG 3.48Å; M68-F97 VanDerWaalsContact CE-CG 3.48Å; M68-F97 HydrophobicContact CG-CB 4.28Å; M68-F117 HydrophobicContact CE-CD2 3.43Å; M68-F117 VanDerWaalsContact CE-CD2 3.43Å; M68-F117 HydrophobicContact CE-CE2 3.71Å; M68-F117 HydrophobicContact CE-CG 4.44Å; M68-F117 HydrophobicContact SD-CD2 3.83Å; M68-F117 HydrophobicContact SD-CE2 3.41Å; M68-F117 WeakPolarHBondContact SD-CE2 3.37Å; M68-F117 HydrophobicContact SD-CZ 4.31Å; M68-H120 HydrophobicContact CE-CB 3.95Å; M68-V121 HydrophobicContact SD-CG1 3.86Å
69L72.9Confident67.1Low12 Ų1245.6 Ų45.66%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-116.4124.7175.8-54.6179.8000107.9L48 L67 I71L48-L69 HydrophobicContact CD2-CD1 3.93Å; L48-L69 HydrophobicContact CD2-CD2 3.42Å; L48-L69 VanDerWaalsContact CD2-CD2 3.42Å; L48-L69 HydrophobicContact CD2-CG 4.14Å; L67-L69 HydrophobicContact CD1-CD2 3.74Å; L67-L69 HydrophobicContact CD1-CG 4.22Å; L67-L69 HydrophobicContact CD2-CD1 3.91Å; L67-L69 HydrophobicContact CD2-CD2 4.4Å; L67-L69 HydrophobicContact CD2-CG 4.11Å; L67-L69 HydrophobicContact CG-CD1 4.23Å; L67-L69 HydrophobicContact CG-CD2 3.96Å; L67-L69 HydrophobicContact CG-CG 3.86Å; L69-I71 HydrophobicContact CB-CD1 3.71Å; L69-I71 HydrophobicContact CB-CG1 3.69Å; L69-I71 HydrophobicContact CD1-CD1 3.53Å; L69-I71 HydrophobicContact CD1-CG1 4.34Å; L69-I71 HydrophobicContact CG-CD1 4.27Å; L69-I71 PolarHBondContact O-N 3.35Å
70P61.4Low65.6Low3 Ų346 Ų462%0.01928%0.281CS..  trans-76.569.1167.333.2-28.9000108F29 G30 F33 F97F29-P70 HydrophobicContact CE2-CB 4.32Å; F29-P70 HydrophobicContact CE2-CG 3.78Å; F29-P70 HydrophobicContact CZ-CG 3.98Å; G30-P70 WeakPolarHBondContact O-CD 3.18Å; F33-P70 HydrophobicContact CD1-CB 3.94Å; F33-P70 HydrophobicContact CD1-CG 4.2Å; F33-P70 HydrophobicContact CD2-CG 4.32Å; F33-P70 HydrophobicContact CE1-CB 3.19Å; F33-P70 HydrophobicContact CE1-CG 3.69Å; F33-P70 HydrophobicContact CE2-CB 4.2Å; F33-P70 HydrophobicContact CE2-CG 3.83Å; F33-P70 HydrophobicContact CG-CG 4.49Å; F33-P70 HydrophobicContact CZ-CB 3.35Å; F33-P70 HydrophobicContact CZ-CG 3.49Å; F33-P70 VanDerWaalsContact CZ-CG 3.49Å; P70-F97 HydrophobicContact CB-CD1 4.33Å
71I54.9Low64.5Low44 Ų4445.4 Ų45.423%0.22628%0.277CS..  trans-86.8123.9171.9-71.9171.2000105.9L69 G73 F75L69-I71 HydrophobicContact CB-CD1 3.71Å; L69-I71 HydrophobicContact CB-CG1 3.69Å; L69-I71 HydrophobicContact CD1-CD1 3.53Å; L69-I71 HydrophobicContact CD1-CG1 4.34Å; L69-I71 HydrophobicContact CG-CD1 4.27Å; L69-I71 PolarHBondContact O-N 3.35Å; I71-G73 PolarHBondContact O-N 2.88Å; I71-F75 HydrophobicContact CB-CB 4.49Å; I71-F75 HydrophobicContact CG2-CB 2.98Å; I71-F75 HydrophobicContact CG2-CD1 3.69Å; I71-F75 HydrophobicContact CG2-CD2 3.73Å; I71-F75 HydrophobicContact CG2-CG 3.21Å
72P47.2Very low63.8Low45 Ų4547 Ų4729%0.29229%0.287SS..  trans-50.3141.1175-2533000110.6E74 F75P72-E74 PolarHBondContact O-N 2.87Å; P72-F75 VanDerWaalsContact O-CB 3.26Å; P72-F75 WeakPolarHBondContact O-CB 3.31Å; P72-F75 PolarHBondContact O-N 2.79Å
73G42.9Very low63.3Low86 Ų8651.6 Ų51.689%0.88730%0.303SS*.THydrogen-bonded Turntrans-55.7-21179.900000114I71 F75I71-G73 PolarHBondContact O-N 2.88Å; G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 3Å
74E42.9Very low62.9Low182 Ų18251.4 Ų51.485%0.8530%0.301SS*.THydrogen-bonded Turntrans-81.75.5174.4-59.8-169.8176.500114.6P72 E76P72-E74 PolarHBondContact O-N 2.87Å; E74-E76 PolarHBondContact O-N 2.77Å
75F45.8Very low62.3Low34 Ų3448.6 Ų48.615%0.14928%0.283CS..  trans-75.555.7170.9-147.3-92000110.3W36 I71 P72 G73 I77 Y85W36-F75 AromaticContact CD2-CE2 3.9Å; W36-F75 HydrophobicContact CD2-CE2 3.9Å; W36-F75 AromaticContact CE2-CE2 3.62Å; W36-F75 HydrophobicContact CE3-CE2 4.48Å; W36-F75 HydrophobicContact CG-CE2 4.21Å; W36-F75 HydrophobicContact CZ2-CE2 4.01Å; W36-F75 HydrophobicContact CZ2-CZ 4.35Å; W36-F75 AromaticContact NE1-CE2 3.76Å; I71-F75 HydrophobicContact CB-CB 4.49Å; I71-F75 HydrophobicContact CG2-CB 2.98Å; I71-F75 HydrophobicContact CG2-CD1 3.69Å; I71-F75 HydrophobicContact CG2-CD2 3.73Å; I71-F75 HydrophobicContact CG2-CG 3.21Å; P72-F75 VanDerWaalsContact O-CB 3.26Å; P72-F75 WeakPolarHBondContact O-CB 3.31Å; P72-F75 PolarHBondContact O-N 2.79Å; G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 3Å; F75-I77 PolarHBondContact O-N 2.94Å; F75-Y85 HydrophobicContact CE1-CE1 4.49Å; F75-Y85 HydrophobicContact CZ-CE1 4.42Å
76E43.8Very low61.6Low167 Ų16752.9 Ų52.978%0.7830%0.303SS*.SBendtrans-61.585.8148.3-79.7-165.4153.100106.6E74 I78E74-E76 PolarHBondContact O-N 2.77Å; E76-I78 PolarHBondContact O-N 2.86Å
77I51.2Low60.8Low36 Ų3651.5 Ų51.519%0.18530%0.297CS..  trans5.893.2166.4-39.5170.9000112.7F75 T82 Y85 Q86F75-I77 PolarHBondContact O-N 2.94Å; I77-T82 HydrophobicContact CB-CG2 3.76Å; I77-T82 HydrophobicContact CD1-CG2 3.52Å; I77-T82 HydrophobicContact CG1-CG2 4.24Å; I77-T82 HydrophobicContact CG2-CG2 3.72Å; I77-T82 PolarHBondContact O-OG1 3.23Å; I77-T82 VanDerWaalsContact O-OG1 3.1Å; I77-Y85 HydrophobicContact CG2-CD2 4.16Å; I77-Y85 HydrophobicContact CG2-CG 4.17Å; I77-Q86 HydrophobicContact CD1-CG 4.23Å
78I51.7Low60.3Low42 Ų4251.8 Ų51.822%0.21530%0.298CS..  trans-35112.5-163.6-40.5168.9000111.1E76 G80 C81 I171 T172E76-I78 PolarHBondContact O-N 2.86Å; I78-G80 PolarHBondContact O-N 3.39Å; I78-C81 PolarHBondContact O-N 2.92Å; I78-I171 HydrophobicContact CD1-CG2 3.2Å; I78-T172 HydrophobicContact CB-CG2 3.47Å; I78-T172 VanDerWaalsContact CB-CG2 3.47Å; I78-T172 HydrophobicContact CD1-CG2 3.66Å; I78-T172 HydrophobicContact CG1-CG2 4.16Å; I78-T172 HydrophobicContact CG2-CG2 3.14Å
79P47.2Very low59.4Low101 Ų10155.6 Ų55.666%0.65632%0.316SS*.THydrogen-bonded Turntrans-48.1115.1-170.8-31.434.7000111.2
80G55.7Low59Low61 Ų6159.3 Ų59.363%0.62934%0.339SS*.THydrogen-bonded Turntrans114.4-22-176.600000115.8I78I78-G80 PolarHBondContact O-N 3.39Å
81C63.9Low58.9Low2 Ų262.1 Ų62.11%0.01437%0.369CS..  trans-103.65.6173.9-64.60000112.8I78 K83 I84 Y85 I175I78-C81 PolarHBondContact O-N 2.92Å; C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 2.68Å; C81-I84 PolarHBondContact O-N 2.87Å; C81-Y85 HydrophobicContact CB-CD2 3.66Å; C81-Y85 HydrophobicContact CB-CE2 3.66Å; C81-Y85 WeakPolarHBondContact O-CD2 3.49Å; C81-Y85 PolarHBondContact O-N 3.1Å; C81-I175 HydrophobicContact CB-CD1 4.12Å; C81-I175 HydrophobicContact CB-CG2 4.26Å; C81-I175 VanDerWaalsContact SG-CG2 3.51Å
82T70.5Confident59.3Low39 Ų3961.1 Ų61.124%0.23936%0.363CS..Hα-helixtrans-56.5-44.1-167.3-43.70000113.8I77 I84 Y85 Q86I77-T82 HydrophobicContact CB-CG2 3.76Å; I77-T82 HydrophobicContact CD1-CG2 3.52Å; I77-T82 HydrophobicContact CG1-CG2 4.24Å; I77-T82 HydrophobicContact CG2-CG2 3.72Å; I77-T82 PolarHBondContact O-OG1 3.23Å; I77-T82 VanDerWaalsContact O-OG1 3.1Å; T82-I84 VanDerWaalsContact C-N 3.34Å; T82-I84 PolarHBondContact O-N 3.25Å; T82-Y85 PolarHBondContact O-N 2.79Å; T82-Q86 HydrophobicContact CG2-CG 4.2Å; T82-Q86 VanDerWaalsContact O-CB 3.23Å; T82-Q86 WeakPolarHBondContact O-CB 3.2Å; T82-Q86 WeakPolarHBondContact O-CG 3.2Å; T82-Q86 PolarHBondContact O-N 3.37Å
83K73.5Confident60.1Low112 Ų11263.6 Ų63.649%0.48737%0.374SS..Hα-helixtrans-65.8-35.2179.2-59.7-177.2-176-178.80112.7C81 S87 E198 I202C81-K83 VanDerWaalsContact C-N 3.33Å; C81-K83 PolarHBondContact O-N 2.68Å; K83-S87 WeakPolarHBondContact O-CB 3.39Å; K83-S87 PolarHBondContact O-N 3.49Å; K83-E198 IonicContact NZ-OE1 2.64Å; K83-E198 PolarHBondContact NZ-OE1 2.9Å; K83-I202 HydrophobicContact CB-CD1 3.84Å; K83-I202 HydrophobicContact CB-CG1 4.47Å; K83-I202 HydrophobicContact CB-CG2 4.15Å; K83-I202 HydrophobicContact CD-CD1 3.49Å; K83-I202 VanDerWaalsContact CD-CD1 3.49Å; K83-I202 HydrophobicContact CG-CD1 4.31Å
84I74.7Confident61.2Low4 Ų463 Ų632%0.02135%0.353CS..Hα-helixtrans-69.4-48.6178-63.7168.3000109.5C81 T82 Q86 S87 W88 I175 I202 C205 A206C81-I84 PolarHBondContact O-N 2.87Å; T82-I84 VanDerWaalsContact C-N 3.34Å; T82-I84 PolarHBondContact O-N 3.25Å; I84-Q86 PolarHBondContact O-N 2.96Å; I84-S87 WeakPolarHBondContact O-CB 3.39Å; I84-S87 PolarHBondContact O-N 2.76Å; I84-S87 PolarHBondContact O-OG 3.3Å; I84-W88 HydrophobicContact CG2-CD2 4.37Å; I84-W88 HydrophobicContact CG2-CE3 4.24Å; I84-W88 HydrophobicContact CG2-CH2 3.64Å; I84-W88 HydrophobicContact CG2-CZ2 3.8Å; I84-W88 HydrophobicContact CG2-CZ3 3.87Å; I84-W88 PolarHBondContact O-N 2.76Å; I84-W88 VanDerWaalsContact O-N 3.17Å; I84-I175 HydrophobicContact CD1-CG2 3.34Å; I84-I202 HydrophobicContact CG1-CG2 3.98Å; I84-C205 HydrophobicContact CD1-CB 4.3Å; I84-A206 HydrophobicContact CG2-CB 4.41Å
85Y72.7Confident62.3Low11 Ų1157.1 Ų57.14%0.04333%0.327CS..Hα-helixtrans-64.7-40.5176.5-78.7-78.5000112.6L45 F75 I77 C81 T82 S87 W88 Q89 I175L45-Y85 HydrophobicContact CD1-CE1 4.05Å; F75-Y85 HydrophobicContact CE1-CE1 4.49Å; F75-Y85 HydrophobicContact CZ-CE1 4.42Å; I77-Y85 HydrophobicContact CG2-CD2 4.16Å; I77-Y85 HydrophobicContact CG2-CG 4.17Å; C81-Y85 HydrophobicContact CB-CD2 3.66Å; C81-Y85 HydrophobicContact CB-CE2 3.66Å; C81-Y85 WeakPolarHBondContact O-CD2 3.49Å; C81-Y85 PolarHBondContact O-N 3.1Å; T82-Y85 PolarHBondContact O-N 2.79Å; Y85-S87 VanDerWaalsContact C-N 3.28Å; Y85-S87 PolarHBondContact O-N 2.78Å; Y85-W88 AromaticContact CD1-CE3 3.78Å; Y85-W88 HydrophobicContact CD1-CE3 3.78Å; Y85-W88 AromaticContact CD1-CZ3 3.99Å; Y85-W88 HydrophobicContact CD1-CZ3 3.99Å; Y85-W88 HydrophobicContact CE1-CE3 4.11Å; Y85-W88 AromaticContact CE1-CZ3 3.9Å; Y85-W88 HydrophobicContact CE1-CZ3 3.9Å; Y85-W88 HydrophobicContact CG-CE3 4.31Å; Y85-W88 HydrophobicContact CG-CZ3 4.47Å; Y85-W88 CarbonylContact O-C 3.55Å; Y85-W88 WeakPolarHBondContact O-CA 3.34Å; Y85-W88 WeakPolarHBondContact O-CB 3.46Å; Y85-W88 PolarHBondContact O-N 3.07Å; Y85-W88 VanDerWaalsContact O-N 3.08Å; Y85-Q89 WeakPolarHBondContact O-CB 3.38Å; Y85-Q89 VanDerWaalsContact O-CG 3.24Å; Y85-Q89 WeakPolarHBondContact O-CG 3.13Å; Y85-Q89 PolarHBondContact O-N 2.87Å; Y85-I175 HydrophobicContact CE2-CD1 3.5Å; Y85-I175 VanDerWaalsContact CE2-CD1 3.5Å; Y85-I175 WeakPolarHBondContact OH-CD1 3.47Å
86Q70.4Confident63Low92 Ų9266.3 Ų66.343%0.4336%0.361SS..Hα-helixtrans-59-40.3173.4-77.9171.6-14.800111.5I77 T82 I84 W88 Q89I77-Q86 HydrophobicContact CD1-CG 4.23Å; T82-Q86 HydrophobicContact CG2-CG 4.2Å; T82-Q86 VanDerWaalsContact O-CB 3.23Å; T82-Q86 WeakPolarHBondContact O-CB 3.2Å; T82-Q86 WeakPolarHBondContact O-CG 3.2Å; T82-Q86 PolarHBondContact O-N 3.37Å; I84-Q86 PolarHBondContact O-N 2.96Å; Q86-W88 PolarHBondContact O-N 3.36Å; Q86-Q89 PolarHBondContact O-N 2.86Å; Q86-Q89 VanDerWaalsContact O-N 3.1Å
87S68.7Low63.8Low8 Ų858.9 Ų58.96%0.05633%0.326CS..Hα-helixtrans-59.7-38.6175.382.50000111.7K83 I84 Y85K83-S87 WeakPolarHBondContact O-CB 3.39Å; K83-S87 PolarHBondContact O-N 3.49Å; I84-S87 WeakPolarHBondContact O-CB 3.39Å; I84-S87 PolarHBondContact O-N 2.76Å; I84-S87 PolarHBondContact O-OG 3.3Å; Y85-S87 VanDerWaalsContact C-N 3.28Å; Y85-S87 PolarHBondContact O-N 2.78Å
88W74.3Confident64Low6 Ų661 Ų612%0.02334%0.344CS..Hα-helixtrans-73.4-36173.3-65.4-33.9000112.6L45 L49 R52 I84 Y85 Q86 T90 A206 I209L45-W88 HydrophobicContact CD1-CE3 4.42Å; L45-W88 HydrophobicContact CD1-CH2 4.24Å; L45-W88 HydrophobicContact CD1-CZ3 3.73Å; L45-W88 HydrophobicContact CD2-CH2 4.34Å; L45-W88 HydrophobicContact CD2-CZ3 4.48Å; L49-W88 HydrophobicContact CD2-CD2 3.89Å; L49-W88 HydrophobicContact CD2-CE3 4.26Å; L49-W88 HydrophobicContact CD2-CG 4.22Å; L49-W88 HydrophobicContact CD2-CZ2 4.25Å; R52-W88 PolarHBondContact NE-O 2.75Å; R52-W88 PolarHBondContact NH2-O 3.49Å; I84-W88 HydrophobicContact CG2-CD2 4.37Å; I84-W88 HydrophobicContact CG2-CE3 4.24Å; I84-W88 HydrophobicContact CG2-CH2 3.64Å; I84-W88 HydrophobicContact CG2-CZ2 3.8Å; I84-W88 HydrophobicContact CG2-CZ3 3.87Å; I84-W88 PolarHBondContact O-N 2.76Å; I84-W88 VanDerWaalsContact O-N 3.17Å; Y85-W88 AromaticContact CD1-CE3 3.78Å; Y85-W88 HydrophobicContact CD1-CE3 3.78Å; Y85-W88 AromaticContact CD1-CZ3 3.99Å; Y85-W88 HydrophobicContact CD1-CZ3 3.99Å; Y85-W88 HydrophobicContact CE1-CE3 4.11Å; Y85-W88 AromaticContact CE1-CZ3 3.9Å; Y85-W88 HydrophobicContact CE1-CZ3 3.9Å; Y85-W88 HydrophobicContact CG-CE3 4.31Å; Y85-W88 HydrophobicContact CG-CZ3 4.47Å; Y85-W88 CarbonylContact O-C 3.55Å; Y85-W88 WeakPolarHBondContact O-CA 3.34Å; Y85-W88 WeakPolarHBondContact O-CB 3.46Å; Y85-W88 PolarHBondContact O-N 3.07Å; Y85-W88 VanDerWaalsContact O-N 3.08Å; Q86-W88 PolarHBondContact O-N 3.36Å; W88-T90 PolarHBondContact O-N 3.06Å; W88-A206 HydrophobicContact CZ2-CB 4.29Å; W88-I209 HydrophobicContact CH2-CB 4.28Å; W88-I209 HydrophobicContact CH2-CD1 4.02Å; W88-I209 HydrophobicContact CH2-CG2 3.82Å; W88-I209 HydrophobicContact CZ2-CB 4.07Å; W88-I209 HydrophobicContact CZ2-CD1 4.35Å; W88-I209 HydrophobicContact CZ2-CG2 3.94Å
89Q61.9Low64.1Low80 Ų8059.7 Ų59.737%0.37434%0.338SS..Hα-helixtrans-68.8-25.7-167.6-84.9176.4-9.200115.6R52 Y85 Q86 G91R52-Q89 VanDerWaalsContact NH2-C 3.31Å; R52-Q89 PolarHBondContact NH2-O 2.69Å; Y85-Q89 WeakPolarHBondContact O-CB 3.38Å; Y85-Q89 VanDerWaalsContact O-CG 3.24Å; Y85-Q89 WeakPolarHBondContact O-CG 3.13Å; Y85-Q89 PolarHBondContact O-N 2.87Å; Q86-Q89 PolarHBondContact O-N 2.86Å; Q86-Q89 VanDerWaalsContact O-N 3.1Å; Q89-G91 PolarHBondContact O-N 2.99Å
90T63.4Low64.1Low90 Ų9060.2 Ų60.255%0.55235%0.351SS*.THydrogen-bonded Turntrans-54.4129-170.552.50000114.5W88W88-T90 PolarHBondContact O-N 3.06Å
91G59.5Low63.9Low62 Ų6259.2 Ų59.264%0.63934%0.341SS*.THydrogen-bonded Turntrans83.425.7162.900000117.9K56 Q89K56-G91 PolarHBondContact NZ-O 2.74Å; Q89-G91 PolarHBondContact O-N 2.99Å
92F63.2Low63Low23 Ų2365.9 Ų65.910%0.10138%0.384CS..  trans-108144.2175.5-74.6-99.2000112.5R52 C55 K56 L67 V94R52-F92 HydrophobicContact CB-CE1 4.2Å; R52-F92 HydrophobicContact CB-CZ 3.74Å; R52-F92 HydrophobicContact CG-CE1 4.45Å; R52-F92 HydrophobicContact CG-CZ 4.13Å; R52-F92 WeakPolarHBondContact O-CE1 3.48Å; R52-F92 WeakPolarHBondContact O-CZ 3.42Å; C55-F92 HydrophobicContact CB-CD1 4.38Å; C55-F92 HydrophobicContact CB-CE1 3.9Å; K56-F92 HydrophobicContact CD-CE1 4.22Å; K56-F92 HydrophobicContact CD-CE2 4.15Å; K56-F92 HydrophobicContact CD-CZ 3.87Å; K56-F92 HydrophobicContact CG-CE1 3.67Å; K56-F92 HydrophobicContact CG-CE2 3.98Å; K56-F92 HydrophobicContact CG-CZ 3.26Å; L67-F92 HydrophobicContact CB-CD1 4.16Å; L67-F92 HydrophobicContact CD2-CB 4.47Å; L67-F92 HydrophobicContact CD2-CD1 3.9Å; L67-F92 HydrophobicContact CD2-CE1 4.28Å; L67-F92 HydrophobicContact CD2-CG 4.23Å; F92-V94 HydrophobicContact CB-CG2 3.94Å; F92-V94 PolarHBondContact O-N 3.22Å; F92-V94 VanDerWaalsContact O-N 3.1Å
93N64Low61.8Low97 Ų9767.2 Ų67.252%0.51940%0.395SS..  trans-7787162.9-68-30000109.1L67L67-N93 PolarHBondContact N-O 2.93Å
94V67.2Low60.8Low75 Ų7566 Ų6646%0.45540%0.398SS..EExtended strand (participates in β ladder)trans-83.4116.3179.7-177.20000109.9L67 F92 R96L67-V94 CarbonylContact O-C 3.4Å; L67-V94 WeakPolarHBondContact O-CA 3.32Å; F92-V94 HydrophobicContact CB-CG2 3.94Å; F92-V94 PolarHBondContact O-N 3.22Å; F92-V94 VanDerWaalsContact O-N 3.1Å; V94-R96 PolarHBondContact O-N 2.86Å
95L64.3Low59.7Low57 Ų5767 Ų6730%0.29840%0.403SS..EExtended strand (participates in β ladder)trans-80.6113.1166.8-66.7177.8000108.1I27 H66 L67 M68 F97I27-L95 HydrophobicContact CD1-CD1 4.06Å; I27-L95 HydrophobicContact CG1-CD1 4.32Å; H66-L95 HydrophobicContact CB-CD1 3.57Å; H66-L95 HydrophobicContact CB-CG 3.93Å; L67-L95 PolarHBondContact O-N 3.44Å; M68-L95 HydrophobicContact CB-CB 4.41Å; M68-L95 HydrophobicContact CG-CB 4.46Å; L95-F97 PolarHBondContact O-N 3.31Å
96R61.2Low58.9Low228 Ų22872.1 Ų72.186%0.8643%0.428SS*.EExtended strand (participates in β ladder)trans-72.8112.9173.8-69.3-174.5-179.4-179-0.6108.3V94V94-R96 PolarHBondContact O-N 2.86Å
97F60.4Low58Low10 Ų1071.4 Ų71.44%0.04443%0.433CS..  trans-91.2107.3168.3-177.5-107.7000108.6M68 P70 L95 L105 L113 F117 H120M68-F97 HydrophobicContact CE-CB 3.55Å; M68-F97 HydrophobicContact CE-CD2 3.13Å; M68-F97 HydrophobicContact CE-CE2 3.91Å; M68-F97 HydrophobicContact CE-CG 3.48Å; M68-F97 VanDerWaalsContact CE-CG 3.48Å; M68-F97 HydrophobicContact CG-CB 4.28Å; P70-F97 HydrophobicContact CB-CD1 4.33Å; L95-F97 PolarHBondContact O-N 3.31Å; F97-L105 HydrophobicContact CE1-CD2 4.13Å; F97-L113 HydrophobicContact CE1-CD1 3.57Å; F97-L113 HydrophobicContact CE1-CG 4.49Å; F97-L113 HydrophobicContact CZ-CD1 3.8Å; F97-L113 HydrophobicContact CZ-CG 4.46Å; F97-F117 HydrophobicContact CE2-CB 4.35Å; F97-F117 HydrophobicContact CZ-CB 4.49Å; F97-H120 AromaticContact CD2-CE1 3.97Å; F97-H120 AromaticContact CD2-ND1 3.92Å; F97-H120 AromaticContact CE2-ND1 3.93Å
98S56.8Low57.5Low81 Ų8173 Ų7357%0.56644%0.442SS*.  trans-116.5115.5164.7-171.60000106.6A100S98-A100 PolarHBondContact O-N 3.32Å
99P52.8Low57.4Low14 Ų1477.3 Ų77.39%0.09147%0.466CS..  trans-55.9139.6165.128.7-35.5000107.6G101 L105P99-G101 PolarHBondContact O-N 2.8Å; P99-L105 HydrophobicContact CG-CD2 3.72Å; P99-L105 HydrophobicContact CG-CG 4.17Å
100A46.9Very low57.9Low112 Ų11275.7 Ų75.793%0.92646%0.458SS*.SBendtrans-61.2103.9-174.200000110.8S98S98-A100 PolarHBondContact O-N 3.32Å
101G51.7Low58.5Low41 Ų4175.1 Ų75.142%0.42346%0.457SS..SBendtrans134.2160.2171.800000114.2P99 S103P99-G101 PolarHBondContact O-N 2.8Å; G101-S103 PolarHBondContact O-N 2.9Å
102P45.7Very low59.2Low142 Ų14275.4 Ų75.492%0.92245%0.449SS*.SBendtrans-72.412.1-18031.4-36.2000113.8
103S45.5Very low59.7Low67 Ų6775.2 Ų75.247%0.46945%0.449SS..SBendtrans-83.2134.9-175.5-600000110.1G101 L105G101-S103 PolarHBondContact O-N 2.9Å; S103-L105 PolarHBondContact O-N 2.78Å
104P51.4Low60.6Low85 Ų8571.3 Ų71.355%0.55243%0.428SS*.  trans-57140.717721.3-29.8000110.1H106 S107P104-H106 PolarHBondContact O-N 3.25Å; P104-S107 PolarHBondContact O-N 3.26Å; P104-S107 PolarHBondContact O-OG 3.41Å
105L52.9Low61.2Low25 Ų2569.7 Ų69.713%0.13142%0.423CS..G310 helixtrans-47.5-32.2179-91.5159.6000113.1F33 F97 P99 S103 S107 T108 L113F33-L105 HydrophobicContact CD1-CD1 4.25Å; F33-L105 HydrophobicContact CD1-CD2 4.34Å; F33-L105 HydrophobicContact CE1-CD1 4.12Å; F33-L105 HydrophobicContact CE1-CD2 3.75Å; F33-L105 HydrophobicContact CE1-CG 4.43Å; F97-L105 HydrophobicContact CE1-CD2 4.13Å; P99-L105 HydrophobicContact CG-CD2 3.72Å; P99-L105 HydrophobicContact CG-CG 4.17Å; S103-L105 PolarHBondContact O-N 2.78Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.87Å; L105-T108 PolarHBondContact O-N 2.66Å; L105-L113 HydrophobicContact CD2-CD1 3.7Å
106H54.3Low61.8Low120 Ų12068.5 Ų68.556%0.55642%0.419SS*.G310 helixtrans-66.8-17.3178.9-57.1-78.7000114.9D35 P104D35-H106 IonicContact OD1-CE1 3.07Å; D35-H106 PolarHBondContact OD1-CE1 3.24Å; D35-H106 IonicContact OD1-ND1 3.88Å; D35-H106 IonicContact OD1-NE2 3.34Å; D35-H106 PolarHBondContact OD1-NE2 3.28Å; P104-H106 PolarHBondContact O-N 3.25Å
107S51.6Low62.8Low76 Ų7657.9 Ų57.953%0.53138%0.379SS..G310 helixtrans-99.1-1.917972.50000113.7P104 L105P104-S107 PolarHBondContact O-N 3.26Å; P104-S107 PolarHBondContact O-OG 3.41Å; L105-S107 VanDerWaalsContact C-N 3.26Å; L105-S107 PolarHBondContact O-N 2.87Å
108T58.7Low64Low41 Ų4159.9 Ų59.925%0.25239%0.387SS..SBendtrans-84.7127.1179.5-49.70000109.1L105 F110 L113L105-T108 PolarHBondContact O-N 2.66Å; T108-F110 PolarHBondContact O-N 2.8Å; T108-L113 HydrophobicContact CG2-CB 4.45Å
109D71.2Confident65.3Low97 Ų9761 Ų6152%0.51938%0.383SS..  trans-54.9137.3171.117571.6000110.3S111 S112 L113D109-S111 PolarHBondContact O-N 2.97Å; D109-S111 WeakPolarHBondContact OD2-CA 3.47Å; D109-S111 WeakPolarHBondContact OD2-CB 3.42Å; D109-S111 PolarHBondContact OD2-N 2.86Å; D109-S111 PolarHBondContact OD2-OG 3.3Å; D109-S112 WeakPolarHBondContact O-CA 3.38Å; D109-S112 WeakPolarHBondContact O-CB 3.46Å; D109-S112 PolarHBondContact O-N 2.9Å; D109-S112 PolarHBondContact OD2-N 3.12Å; D109-L113 PolarHBondContact O-N 3.44Å
110F72.9Confident66.5Low47 Ų4764 Ų6421%0.20640%0.396CS..Hα-helixtrans-59.7-35-174-172.7-112.4000111.9T108 S112 L113 L114 W135 C138 E141T108-F110 PolarHBondContact O-N 2.8Å; F110-S112 VanDerWaalsContact C-N 3.33Å; F110-S112 PolarHBondContact O-N 3.03Å; F110-L113 HydrophobicContact CD2-CD2 4.01Å; F110-L113 HydrophobicContact CE2-CD2 4.21Å; F110-L113 WeakPolarHBondContact O-CB 3.39Å; F110-L113 PolarHBondContact O-N 3.4Å; F110-L114 HydrophobicContact CD1-CD1 3.9Å; F110-L114 HydrophobicContact CD1-CG 4.1Å; F110-L114 HydrophobicContact CE1-CD1 3.63Å; F110-L114 HydrophobicContact CE1-CD2 3.94Å; F110-L114 HydrophobicContact CE1-CG 3.84Å; F110-L114 HydrophobicContact CE2-CD2 4.38Å; F110-L114 HydrophobicContact CZ-CD1 4.35Å; F110-L114 HydrophobicContact CZ-CD2 3.79Å; F110-L114 HydrophobicContact CZ-CG 4.12Å; F110-L114 VanDerWaalsContact O-CG 3.3Å; F110-L114 WeakPolarHBondContact O-CG 3.4Å; F110-L114 PolarHBondContact O-N 3.19Å; F110-W135 HydrophobicContact CE2-CZ2 4.06Å; F110-W135 HydrophobicContact CZ-CZ2 4.43Å; F110-C138 HydrophobicContact CE2-CB 4.06Å; F110-C138 HydrophobicContact CZ-CB 3.9Å; F110-E141 VanDerWaalsContact CD1-OE2 3.26Å; F110-E141 WeakPolarHBondContact CD1-OE2 3.44Å; F110-E141 HydrophobicContact CE1-CB 3.67Å; F110-E141 WeakPolarHBondContact CE1-OE2 3.36Å; F110-E141 HydrophobicContact CZ-CB 4.35Å
111S75.6Confident68.3Low77 Ų7758.7 Ų58.754%0.53835%0.352SS..Hα-helixtrans-64.8-39.1176.1-35.30000111.7D109 L113 L114 A115D109-S111 PolarHBondContact O-N 2.97Å; D109-S111 WeakPolarHBondContact OD2-CA 3.47Å; D109-S111 WeakPolarHBondContact OD2-CB 3.42Å; D109-S111 PolarHBondContact OD2-N 2.86Å; D109-S111 PolarHBondContact OD2-OG 3.3Å; S111-L113 VanDerWaalsContact C-N 3.34Å; S111-L114 PolarHBondContact O-N 3.06Å; S111-A115 PolarHBondContact O-N 2.85Å
112S75.2Confident69.8Low68 Ų6861.2 Ų61.248%0.47635%0.351SS..Hα-helixtrans-67.3-37.6175.5-61.50000111.5D109 F110 A115 S116D109-S112 WeakPolarHBondContact O-CA 3.38Å; D109-S112 WeakPolarHBondContact O-CB 3.46Å; D109-S112 PolarHBondContact O-N 2.9Å; D109-S112 PolarHBondContact OD2-N 3.12Å; F110-S112 VanDerWaalsContact C-N 3.33Å; F110-S112 PolarHBondContact O-N 3.03Å; S112-A115 PolarHBondContact O-N 2.95Å; S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.38Å
113L74.5Confident71.6Confident20 Ų2059.5 Ų59.511%0.10534%0.338CS..Hα-helixtrans-62.5-44.8173-170.277.9000111.1F33 F97 L105 T108 D109 F110 S111 S116 F117F33-L113 HydrophobicContact CE1-CD2 4.42Å; F33-L113 HydrophobicContact CE2-CD2 4.45Å; F33-L113 HydrophobicContact CZ-CD2 3.99Å; F97-L113 HydrophobicContact CE1-CD1 3.57Å; F97-L113 HydrophobicContact CE1-CG 4.49Å; F97-L113 HydrophobicContact CZ-CD1 3.8Å; F97-L113 HydrophobicContact CZ-CG 4.46Å; L105-L113 HydrophobicContact CD2-CD1 3.7Å; T108-L113 HydrophobicContact CG2-CB 4.45Å; D109-L113 PolarHBondContact O-N 3.44Å; F110-L113 HydrophobicContact CD2-CD2 4.01Å; F110-L113 HydrophobicContact CE2-CD2 4.21Å; F110-L113 WeakPolarHBondContact O-CB 3.39Å; F110-L113 PolarHBondContact O-N 3.4Å; S111-L113 VanDerWaalsContact C-N 3.34Å; L113-S116 PolarHBondContact O-N 2.94Å; L113-F117 WeakPolarHBondContact O-CB 3.34Å; L113-F117 PolarHBondContact O-N 3.25Å
114L80.9Confident73.4Confident14 Ų1456.9 Ų56.97%0.07332%0.32CS..Hα-helixtrans-62.2-44.6177-70.3-179.4000112F110 S111 F117 Y118 L142 Y145F110-L114 HydrophobicContact CD1-CD1 3.9Å; F110-L114 HydrophobicContact CD1-CG 4.1Å; F110-L114 HydrophobicContact CE1-CD1 3.63Å; F110-L114 HydrophobicContact CE1-CD2 3.94Å; F110-L114 HydrophobicContact CE1-CG 3.84Å; F110-L114 HydrophobicContact CE2-CD2 4.38Å; F110-L114 HydrophobicContact CZ-CD1 4.35Å; F110-L114 HydrophobicContact CZ-CD2 3.79Å; F110-L114 HydrophobicContact CZ-CG 4.12Å; F110-L114 VanDerWaalsContact O-CG 3.3Å; F110-L114 WeakPolarHBondContact O-CG 3.4Å; F110-L114 PolarHBondContact O-N 3.19Å; S111-L114 PolarHBondContact O-N 3.06Å; L114-F117 PolarHBondContact O-N 3.27Å; L114-Y118 WeakPolarHBondContact O-CB 3.48Å; L114-Y118 PolarHBondContact O-N 2.93Å; L114-L142 HydrophobicContact CD2-CB 3.85Å; L114-L142 HydrophobicContact CD2-CD1 3.36Å; L114-L142 HydrophobicContact CD2-CG 4.2Å; L114-Y145 HydrophobicContact CB-CD1 4.26Å; L114-Y145 HydrophobicContact CB-CD2 4.19Å; L114-Y145 HydrophobicContact CB-CE1 4.37Å; L114-Y145 HydrophobicContact CB-CE2 4.25Å; L114-Y145 HydrophobicContact CB-CG 4.19Å; L114-Y145 HydrophobicContact CD1-CD2 3.92Å; L114-Y145 HydrophobicContact CD1-CG 3.99Å
115A81.4Confident74.9Confident42 Ų4257.4 Ų57.435%0.34732%0.318SS..Hα-helixtrans-63.6-46.1177.300000111.7S111 S112 F117 Y118 E119S111-A115 PolarHBondContact O-N 2.85Å; S112-A115 PolarHBondContact O-N 2.95Å; A115-F117 VanDerWaalsContact C-N 3.35Å; A115-F117 PolarHBondContact O-N 3.15Å; A115-Y118 PolarHBondContact O-N 3.32Å; A115-E119 PolarHBondContact O-N 3.24Å; A115-E119 VanDerWaalsContact O-N 3.12Å
116S77.1Confident76.5Confident31 Ų3156.7 Ų56.722%0.21732%0.315CS..Hα-helixtrans-61.8-43.6175.1-175.80000111.5S112 L113 E119 H120S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.38Å; L113-S116 PolarHBondContact O-N 2.94Å; S116-E119 PolarHBondContact O-N 3.49Å; S116-H120 PolarHBondContact O-N 2.84Å; S116-H120 PolarHBondContact O-ND1 3.14Å
117F81.2Confident78.2Confident6 Ų651 Ų513%0.02629%0.288CS..Hα-helixtrans-59.1-48.3176.1177.6-92.4000111.1F29 M68 F97 L113 L114 A115 E119 H120 V121 I127 L142 L146F29-F117 HydrophobicContact CB-CE2 4.1Å; F29-F117 HydrophobicContact CB-CZ 4.1Å; F29-F117 AromaticContact CD1-CE2 3.91Å; F29-F117 HydrophobicContact CD1-CE2 3.91Å; F29-F117 HydrophobicContact CD1-CZ 4.12Å; F29-F117 HydrophobicContact CD2-CD2 4.29Å; F29-F117 AromaticContact CD2-CE2 3.48Å; F29-F117 HydrophobicContact CD2-CE2 3.48Å; F29-F117 VanDerWaalsContact CD2-CE2 3.48Å; F29-F117 HydrophobicContact CD2-CZ 4.3Å; F29-F117 HydrophobicContact CE1-CE2 4.16Å; F29-F117 HydrophobicContact CE2-CD2 4.11Å; F29-F117 AromaticContact CE2-CE2 3.74Å; F29-F117 HydrophobicContact CE2-CE2 3.74Å; F29-F117 AromaticContact CG-CE2 3.56Å; F29-F117 HydrophobicContact CG-CE2 3.56Å; F29-F117 AromaticContact CG-CZ 3.93Å; F29-F117 HydrophobicContact CG-CZ 3.93Å; F29-F117 HydrophobicContact CZ-CD2 4.31Å; F29-F117 HydrophobicContact CZ-CE2 4.08Å; M68-F117 HydrophobicContact CE-CD2 3.43Å; M68-F117 VanDerWaalsContact CE-CD2 3.43Å; M68-F117 HydrophobicContact CE-CE2 3.71Å; M68-F117 HydrophobicContact CE-CG 4.44Å; M68-F117 HydrophobicContact SD-CD2 3.83Å; M68-F117 HydrophobicContact SD-CE2 3.41Å; M68-F117 WeakPolarHBondContact SD-CE2 3.37Å; M68-F117 HydrophobicContact SD-CZ 4.31Å; F97-F117 HydrophobicContact CE2-CB 4.35Å; F97-F117 HydrophobicContact CZ-CB 4.49Å; L113-F117 WeakPolarHBondContact O-CB 3.34Å; L113-F117 PolarHBondContact O-N 3.25Å; L114-F117 PolarHBondContact O-N 3.27Å; A115-F117 VanDerWaalsContact C-N 3.35Å; A115-F117 PolarHBondContact O-N 3.15Å; F117-E119 VanDerWaalsContact C-N 3.32Å; F117-E119 PolarHBondContact O-N 2.85Å; F117-H120 WeakPolarHBondContact O-CB 3.35Å; F117-H120 PolarHBondContact O-N 3.46Å; F117-V121 HydrophobicContact CD1-CG1 4.28Å; F117-V121 HydrophobicContact CD1-CG2 3.98Å; F117-V121 HydrophobicContact CD2-CG1 4.4Å; F117-V121 HydrophobicContact CE1-CB 4.35Å; F117-V121 HydrophobicContact CE1-CG1 3.78Å; F117-V121 HydrophobicContact CE1-CG2 3.69Å; F117-V121 HydrophobicContact CE2-CG1 3.92Å; F117-V121 HydrophobicContact CZ-CG1 3.59Å; F117-V121 HydrophobicContact CZ-CG2 4.34Å; F117-V121 WeakPolarHBondContact O-CG2 3.07Å; F117-V121 PolarHBondContact O-N 3.49Å; F117-I127 HydrophobicContact CE1-CD1 4.45Å; F117-I127 HydrophobicContact CZ-CG2 4.31Å; F117-L142 HydrophobicContact CD1-CD1 3.65Å; F117-L142 HydrophobicContact CE1-CD1 3.8Å; F117-L142 HydrophobicContact CG-CD1 4.35Å; F117-L146 HydrophobicContact CD1-CD2 4.05Å; F117-L146 HydrophobicContact CE1-CD1 3.81Å; F117-L146 HydrophobicContact CE1-CD2 3.84Å; F117-L146 HydrophobicContact CE1-CG 4.32Å
118Y84.8Confident80Confident52 Ų5247.5 Ų47.520%0.20426%0.264CS..Hα-helixtrans-55.2-45.7178.1174.7-102.6000112.6L114 A115 H120 V121 K122 Y145 L146 H149 M151L114-Y118 WeakPolarHBondContact O-CB 3.48Å; L114-Y118 PolarHBondContact O-N 2.93Å; A115-Y118 PolarHBondContact O-N 3.32Å; Y118-H120 PolarHBondContact O-N 3.22Å; Y118-H120 VanDerWaalsContact O-N 3.17Å; Y118-V121 PolarHBondContact O-N 3.06Å; Y118-K122 HydrophobicContact CD1-CB 4.5Å; Y118-K122 HydrophobicContact CD2-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CB 4.1Å; Y118-K122 HydrophobicContact CE1-CD 4.32Å; Y118-K122 HydrophobicContact CE2-CB 3.96Å; Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.39Å; Y118-K122 PolarHBondContact O-N 2.93Å; Y118-Y145 HydrophobicContact CD2-CE1 4.41Å; Y118-Y145 HydrophobicContact CG-CE1 4.16Å; Y118-L146 HydrophobicContact CD2-CD2 4.42Å; Y118-H149 HydrophobicContact CD2-CB 4.22Å; Y118-H149 HydrophobicContact CE2-CB 3.53Å; Y118-H149 AromaticContact CE2-CD2 3.87Å; Y118-H149 AromaticContact CE2-CG 3.77Å; Y118-H149 AromaticContact CZ-CD2 3.72Å; Y118-M151 HydrophobicContact CD2-SD 4.05Å; Y118-M151 HydrophobicContact CE2-SD 3.98Å
119E83.9Confident81.4Confident105 Ų10545.6 Ų45.649%0.49125%0.252SS..Hα-helixtrans-59.9-29178.3-72.6-61.7114.300113.4A115 S116 F117 K122A115-E119 PolarHBondContact O-N 3.24Å; A115-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 PolarHBondContact O-N 3.49Å; F117-E119 VanDerWaalsContact C-N 3.32Å; F117-E119 PolarHBondContact O-N 2.85Å; E119-K122 IonicContact OE1-NZ 3.39Å; E119-K122 PolarHBondContact OE1-NZ 3Å; E119-K122 WeakPolarHBondContact OE2-CE 3.3Å; E119-K122 IonicContact OE2-NZ 2.63Å; E119-K122 PolarHBondContact OE2-NZ 3.25Å
120H79Confident82.4Confident76 Ų7641 Ų4135%0.35223%0.227SC..Hα-helixtrans-79.9-24.3176.1-71.979.7000113.5M68 F97 S116 F117 Y118M68-H120 HydrophobicContact CE-CB 3.95Å; F97-H120 AromaticContact CD2-CE1 3.97Å; F97-H120 AromaticContact CD2-ND1 3.92Å; F97-H120 AromaticContact CE2-ND1 3.93Å; S116-H120 PolarHBondContact O-N 2.84Å; S116-H120 PolarHBondContact O-ND1 3.14Å; F117-H120 WeakPolarHBondContact O-CB 3.35Å; F117-H120 PolarHBondContact O-N 3.46Å; Y118-H120 PolarHBondContact O-N 3.22Å; Y118-H120 VanDerWaalsContact O-N 3.17Å
121V84Confident83.2Confident0 Ų040.3 Ų40.30%022%0.224CC..Hα-helixtrans-112.2-12.7-171.3-53.10000114I27 M68 F117 Y118 T123 S124 I127 L146 M151I27-V121 HydrophobicContact CD1-CB 3.67Å; I27-V121 HydrophobicContact CD1-CG1 3.54Å; I27-V121 HydrophobicContact CG2-CG1 4.14Å; M68-V121 HydrophobicContact SD-CG1 3.86Å; F117-V121 HydrophobicContact CD1-CG1 4.28Å; F117-V121 HydrophobicContact CD1-CG2 3.98Å; F117-V121 HydrophobicContact CD2-CG1 4.4Å; F117-V121 HydrophobicContact CE1-CB 4.35Å; F117-V121 HydrophobicContact CE1-CG1 3.78Å; F117-V121 HydrophobicContact CE1-CG2 3.69Å; F117-V121 HydrophobicContact CE2-CG1 3.92Å; F117-V121 HydrophobicContact CZ-CG1 3.59Å; F117-V121 HydrophobicContact CZ-CG2 4.34Å; F117-V121 WeakPolarHBondContact O-CG2 3.07Å; F117-V121 PolarHBondContact O-N 3.49Å; Y118-V121 PolarHBondContact O-N 3.06Å; V121-T123 PolarHBondContact O-N 3.32Å; V121-S124 VanDerWaalsContact O-CB 3.31Å; V121-S124 WeakPolarHBondContact O-CB 3.45Å; V121-S124 PolarHBondContact O-N 3Å; V121-S124 PolarHBondContact O-OG 3.44Å; V121-I127 HydrophobicContact CB-CD1 3.81Å; V121-I127 HydrophobicContact CB-CG1 4.34Å; V121-I127 HydrophobicContact CG2-CD1 3.46Å; V121-I127 VanDerWaalsContact CG2-CD1 3.46Å; V121-I127 HydrophobicContact CG2-CG1 4.49Å; V121-L146 HydrophobicContact CG2-CD2 4.04Å; V121-M151 HydrophobicContact CG2-CE 4.3Å; V121-M151 HydrophobicContact CG2-SD 4.06Å; V121-M151 WeakPolarHBondContact O-CE 3.26Å
122K83.4Confident83.9Confident95 Ų9536.7 Ų36.741%0.41320%0.198SC..THydrogen-bonded Turntrans-57.3-18.4-171.764.8-179.7178.7-175.30115.6Y118 E119Y118-K122 HydrophobicContact CD1-CB 4.5Å; Y118-K122 HydrophobicContact CD2-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CB 4.1Å; Y118-K122 HydrophobicContact CE1-CD 4.32Å; Y118-K122 HydrophobicContact CE2-CB 3.96Å; Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.39Å; Y118-K122 PolarHBondContact O-N 2.93Å; E119-K122 IonicContact OE1-NZ 3.39Å; E119-K122 PolarHBondContact OE1-NZ 3Å; E119-K122 WeakPolarHBondContact OE2-CE 3.3Å; E119-K122 IonicContact OE2-NZ 2.63Å; E119-K122 PolarHBondContact OE2-NZ 3.25Å
123T83.3Confident84.6Confident106 Ų10637.5 Ų37.565%0.6520%0.195SC*.THydrogen-bonded Turntrans-90.3-5.5177.358.30000113.4V121V121-T123 PolarHBondContact O-N 3.32Å
124S83.1Confident85.1Confident11 Ų1140.5 Ų40.58%0.07721%0.207CC..  trans-89.6144.5-176.9-58.10000112.6D25 I27 V121 M151D25-S124 WeakPolarHBondContact O-CB 3.29Å; I27-S124 WeakPolarHBondContact CD1-OG 3.44Å; I27-S124 WeakPolarHBondContact CG1-OG 3.04Å; V121-S124 VanDerWaalsContact O-CB 3.31Å; V121-S124 WeakPolarHBondContact O-CB 3.45Å; V121-S124 PolarHBondContact O-N 3Å; V121-S124 PolarHBondContact O-OG 3.44Å; S124-M151 WeakPolarHBondContact O-CE 3.38Å
125D83.6Confident85.3Confident96 Ų9641.1 Ų41.151%0.51321%0.208SC..SBendtrans-77.4-37.3-177.8-64.9-72000112.2G24 D25G24-D125 WeakPolarHBondContact CA-OD2 3.34Å; D25-D125 PolarHBondContact N-OD2 2.81Å; D25-D125 PolarHBondContact O-N 3.46Å
126V87.5Confident85.5Confident11 Ų1141.4 Ų41.47%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-138136.2179.6-176.70000110.3D25 V26 I27 V128 S152 I154 L303 T306D25-V126 PolarHBondContact O-N 3.22Å; V26-V126 WeakPolarHBondContact CA-O 3.11Å; V26-V126 HydrophobicContact CG1-CB 4.32Å; V26-V126 HydrophobicContact CG2-CB 4.15Å; I27-V126 PolarHBondContact N-O 3.1Å; V126-V128 HydrophobicContact CG1-CG2 4.43Å; V126-S152 WeakPolarHBondContact CA-O 3.44Å; V126-I154 HydrophobicContact CG1-CD1 3.77Å; V126-I154 HydrophobicContact CG1-CG1 3.99Å; V126-L303 HydrophobicContact CG1-CD2 4.26Å; V126-T306 HydrophobicContact CG2-CG2 3.68Å
127I88.3Confident85.9Confident0 Ų044.7 Ų44.70%023%0.227CC..EExtended strand (participates in β ladder)trans-110.7122.1171.7-56.5170.5000108.8I27 F117 V121 V129 L146 M151 S152 V153 I154I27-I127 CarbonylContact O-C 3.58Å; I27-I127 WeakPolarHBondContact O-CA 3.46Å; F117-I127 HydrophobicContact CE1-CD1 4.45Å; F117-I127 HydrophobicContact CZ-CG2 4.31Å; V121-I127 HydrophobicContact CB-CD1 3.81Å; V121-I127 HydrophobicContact CB-CG1 4.34Å; V121-I127 HydrophobicContact CG2-CD1 3.46Å; V121-I127 VanDerWaalsContact CG2-CD1 3.46Å; V121-I127 HydrophobicContact CG2-CG1 4.49Å; I127-V129 HydrophobicContact CG2-CG2 3.8Å; I127-L146 HydrophobicContact CD1-CD1 3.83Å; I127-L146 HydrophobicContact CD1-CD2 3.8Å; I127-L146 HydrophobicContact CD1-CG 4.32Å; I127-L146 HydrophobicContact CG2-CD1 4.35Å; I127-M151 HydrophobicContact CD1-CB 4.43Å; I127-M151 HydrophobicContact CD1-CE 3.43Å; I127-M151 VanDerWaalsContact CD1-CE 3.43Å; I127-M151 HydrophobicContact CD1-SD 3.55Å; I127-M151 VanDerWaalsContact CD1-SD 3.55Å; I127-M151 HydrophobicContact CG1-CE 3.99Å; I127-S152 PolarHBondContact N-O 2.91Å; I127-V153 CarbonylContact O-C 3.51Å; I127-V153 WeakPolarHBondContact O-CA 3.45Å; I127-I154 PolarHBondContact O-N 3.27Å
128V89.7Confident86Confident2 Ų246.3 Ų46.31%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-100.2105.2171.5-1740000108.7V26 I27 F28 F29 V126 V130 I154 V156 L303V26-V128 HydrophobicContact CG1-CG2 3.96Å; I27-V128 PolarHBondContact O-N 3.37Å; F28-V128 CarbonylContact C-O 3.59Å; F28-V128 WeakPolarHBondContact CA-O 3.28Å; F28-V128 HydrophobicContact CD1-CB 3.66Å; F28-V128 HydrophobicContact CD1-CG1 3.85Å; F28-V128 HydrophobicContact CD1-CG2 4.07Å; F28-V128 HydrophobicContact CE1-CB 3.77Å; F28-V128 HydrophobicContact CE1-CG1 3.88Å; F28-V128 HydrophobicContact CE1-CG2 3.69Å; F28-V128 HydrophobicContact CG-CB 4.31Å; F28-V128 HydrophobicContact CZ-CG2 4.03Å; F29-V128 PolarHBondContact N-O 3.46Å; V126-V128 HydrophobicContact CG1-CG2 4.43Å; V128-V130 HydrophobicContact CG1-CG2 4.09Å; V128-I154 CarbonylContact C-O 3.55Å; V128-I154 WeakPolarHBondContact CA-O 3.46Å; V128-I154 HydrophobicContact CG1-CB 4.47Å; V128-I154 HydrophobicContact CG1-CG2 4.47Å; V128-I154 HydrophobicContact CG2-CB 4.26Å; V128-I154 HydrophobicContact CG2-CD1 4.41Å; V128-V156 HydrophobicContact CG1-CG2 4.12Å; V128-L303 HydrophobicContact CG2-CD2 4.31Å
129V89.8Confident86Confident1 Ų143.9 Ų43.91%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-92.3109.2177.9-179.30000109F29 I127 Y131 W135 L142 V153 I154 V156F29-V129 HydrophobicContact CD1-CG1 4.15Å; I127-V129 HydrophobicContact CG2-CG2 3.8Å; V129-Y131 HydrophobicContact CG1-CD1 3.98Å; V129-W135 HydrophobicContact CG1-CZ3 4.46Å; V129-L142 HydrophobicContact CG1-CD2 4.09Å; V129-L142 HydrophobicContact CG2-CD2 4.18Å; V129-V153 HydrophobicContact CG2-CG1 3.91Å; V129-I154 PolarHBondContact N-O 3.43Å; V129-V156 PolarHBondContact O-N 3.3Å
130V91.2Very high86.1Confident0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-104.5121.2176.3-168.90000108.4F29 G30 A31 T47 L50 T51 L54 V128 V156 V158F29-V130 PolarHBondContact O-N 3.16Å; G30-V130 CarbonylContact C-O 3.52Å; G30-V130 WeakPolarHBondContact CA-O 3.4Å; A31-V130 PolarHBondContact N-O 2.78Å; T47-V130 HydrophobicContact CG2-CB 4.44Å; T47-V130 HydrophobicContact CG2-CG1 3.95Å; T47-V130 WeakPolarHBondContact CG2-O 3.41Å; L50-V130 HydrophobicContact CD2-CG1 4.05Å; L50-V130 HydrophobicContact CG-CG1 4.4Å; T51-V130 HydrophobicContact CG2-CB 4.38Å; T51-V130 HydrophobicContact CG2-CG2 4.07Å; T51-V130 VanDerWaalsContact OG1-CB 3.27Å; T51-V130 WeakPolarHBondContact OG1-CB 3.41Å; T51-V130 WeakPolarHBondContact OG1-CG1 3.39Å; L54-V130 HydrophobicContact CD1-CG2 4.13Å; V128-V130 HydrophobicContact CG1-CG2 4.09Å; V130-V156 CarbonylContact C-O 3.57Å; V130-V156 VanDerWaalsContact CA-O 3.31Å; V130-V156 WeakPolarHBondContact CA-O 3.42Å; V130-V156 HydrophobicContact CB-CB 4.41Å; V130-V156 HydrophobicContact CG1-CB 4.21Å; V130-V156 HydrophobicContact CG1-CG1 4.24Å; V130-V156 HydrophobicContact CG2-CB 4.15Å; V130-V156 HydrophobicContact CG2-CG2 4.47Å; V130-V158 HydrophobicContact CG1-CG2 3.84Å
131Y90Very high86.5Confident33 Ų3344.7 Ų44.713%0.12924%0.236CC..EExtended strand (participates in β ladder)trans-143.7149-170.161.7-82.2000113V129 W135 A139 V156 V157 V158V129-Y131 HydrophobicContact CG1-CD1 3.98Å; Y131-W135 HydrophobicContact CG-CE3 4.23Å; Y131-A139 HydrophobicContact CD1-CB 3.79Å; Y131-A139 HydrophobicContact CD2-CB 3.45Å; Y131-A139 VanDerWaalsContact CD2-CB 3.45Å; Y131-A139 HydrophobicContact CE1-CB 3.83Å; Y131-A139 HydrophobicContact CE2-CB 3.52Å; Y131-A139 HydrophobicContact CG-CB 3.59Å; Y131-V156 WeakPolarHBondContact CD1-O 3.28Å; Y131-V156 PolarHBondContact N-O 3.2Å; Y131-V157 HydrophobicContact CD2-CG2 4.33Å; Y131-V157 HydrophobicContact CE2-CB 3.97Å; Y131-V157 HydrophobicContact CE2-CG2 3.83Å; Y131-V157 CarbonylContact O-C 3.49Å; Y131-V157 WeakPolarHBondContact O-CA 2.89Å; Y131-V158 PolarHBondContact O-N 3.35Å
132P89.7Confident86.6Confident1 Ų144.8 Ų44.81%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-71149.2173.131.9-35000110.8A31 T43 F134 W135 V158A31-P132 WeakPolarHBondContact O-CD 3.35Å; T43-P132 HydrophobicContact CG2-CB 3.61Å; P132-F134 HydrophobicContact CB-CD1 3.96Å; P132-F134 HydrophobicContact CB-CD2 4.3Å; P132-F134 HydrophobicContact CB-CE1 3.55Å; P132-F134 HydrophobicContact CB-CE2 3.92Å; P132-F134 HydrophobicContact CB-CG 4.31Å; P132-F134 HydrophobicContact CB-CZ 3.52Å; P132-F134 HydrophobicContact CG-CD1 4.44Å; P132-F134 HydrophobicContact CG-CD2 3.93Å; P132-F134 HydrophobicContact CG-CE1 3.95Å; P132-F134 HydrophobicContact CG-CE2 3.35Å; P132-F134 HydrophobicContact CG-CG 4.43Å; P132-F134 HydrophobicContact CG-CZ 3.36Å; P132-F134 PolarHBondContact O-N 2.73Å; P132-W135 HydrophobicContact CG-CB 3.89Å; P132-W135 WeakPolarHBondContact O-CA 3.38Å; P132-W135 WeakPolarHBondContact O-CB 3.32Å; P132-W135 PolarHBondContact O-N 3.19Å; P132-V158 CarbonylContact C-O 3.52Å; P132-V158 WeakPolarHBondContact CA-O 3.11Å
133E89.5Confident86.8Confident85 Ų8544.7 Ų44.740%0.39723%0.233SC..G310 helixtrans-56.5-35-177.1-179.5177.8-164.700113W135 S136 V157 V158E133-W135 PolarHBondContact O-N 3.15Å; E133-W135 VanDerWaalsContact O-N 3.15Å; E133-S136 WeakPolarHBondContact O-CB 3.49Å; E133-S136 PolarHBondContact O-N 2.81Å; E133-S136 VanDerWaalsContact O-N 3.13Å; E133-S136 PolarHBondContact O-OG 2.89Å; E133-V157 HydrophobicContact CB-CG2 4Å; E133-V158 PolarHBondContact N-O 3.11Å
134F85Confident87.1Confident83 Ų8343.4 Ų43.436%0.36423%0.225SC..G310 helixtrans-66-11.2174.360.2-110.7000114.6R40 T43 P132 N160R40-F134 HydrophobicContact CB-CE1 4.01Å; R40-F134 HydrophobicContact CB-CZ 4Å; R40-F134 HydrophobicContact CG-CD1 4.33Å; R40-F134 HydrophobicContact CG-CE1 3.99Å; R40-F134 HydrophobicContact CG-CZ 4.26Å; T43-F134 HydrophobicContact CG2-CD1 4.4Å; T43-F134 HydrophobicContact CG2-CE1 3.73Å; P132-F134 HydrophobicContact CB-CD1 3.96Å; P132-F134 HydrophobicContact CB-CD2 4.3Å; P132-F134 HydrophobicContact CB-CE1 3.55Å; P132-F134 HydrophobicContact CB-CE2 3.92Å; P132-F134 HydrophobicContact CB-CG 4.31Å; P132-F134 HydrophobicContact CB-CZ 3.52Å; P132-F134 HydrophobicContact CG-CD1 4.44Å; P132-F134 HydrophobicContact CG-CD2 3.93Å; P132-F134 HydrophobicContact CG-CE1 3.95Å; P132-F134 HydrophobicContact CG-CE2 3.35Å; P132-F134 HydrophobicContact CG-CG 4.43Å; P132-F134 HydrophobicContact CG-CZ 3.36Å; P132-F134 PolarHBondContact O-N 2.73Å; F134-N160 VanDerWaalsContact CD1-OD1 3.22Å; F134-N160 WeakPolarHBondContact CD1-OD1 2.93Å; F134-N160 PolarHBondContact N-OD1 2.69Å
135W85.8Confident87.4Confident28 Ų2845.7 Ų45.711%0.10623%0.233CC..G310 helixtrans-100.912.3176.2-157.974.2000112.5F29 A31 F33 F110 V129 Y131 P132 E133 T137 C138 A139 L142F29-W135 HydrophobicContact CE1-CH2 4.32Å; A31-W135 HydrophobicContact CB-CD2 4.07Å; A31-W135 HydrophobicContact CB-CE3 3.52Å; A31-W135 HydrophobicContact CB-CH2 3.93Å; A31-W135 HydrophobicContact CB-CZ2 4.39Å; A31-W135 HydrophobicContact CB-CZ3 3.43Å; A31-W135 VanDerWaalsContact CB-CZ3 3.43Å; F33-W135 HydrophobicContact CD2-CZ2 4.22Å; F33-W135 HydrophobicContact CE2-CZ2 4.05Å; F110-W135 HydrophobicContact CE2-CZ2 4.06Å; F110-W135 HydrophobicContact CZ-CZ2 4.43Å; V129-W135 HydrophobicContact CG1-CZ3 4.46Å; Y131-W135 HydrophobicContact CG-CE3 4.23Å; P132-W135 HydrophobicContact CG-CB 3.89Å; P132-W135 WeakPolarHBondContact O-CA 3.38Å; P132-W135 WeakPolarHBondContact O-CB 3.32Å; P132-W135 PolarHBondContact O-N 3.19Å; E133-W135 PolarHBondContact O-N 3.15Å; E133-W135 VanDerWaalsContact O-N 3.15Å; W135-T137 VanDerWaalsContact C-N 3.32Å; W135-T137 PolarHBondContact O-N 3.33Å; W135-C138 HydrophobicContact CD2-CB 3.7Å; W135-C138 HydrophobicContact CE3-CB 4.32Å; W135-C138 HydrophobicContact CG-CB 4.09Å; W135-C138 HydrophobicContact CH2-CB 4.14Å; W135-C138 HydrophobicContact CZ2-CB 3.5Å; W135-C138 PolarHBondContact O-N 3.34Å; W135-A139 HydrophobicContact CE3-CB 3.52Å; W135-A139 HydrophobicContact CZ3-CB 3.66Å; W135-A139 WeakPolarHBondContact O-CB 3.46Å; W135-A139 PolarHBondContact O-N 3.1Å; W135-L142 HydrophobicContact CH2-CB 4.23Å; W135-L142 HydrophobicContact CH2-CD2 3.82Å; W135-L142 HydrophobicContact CZ3-CD2 4.15Å
136S85.3Confident87.6Confident47 Ų4741.1 Ų41.133%0.32921%0.208SC..Hα-helixtrans-58-37.5-173.1-650000114.3E133 A139 L140E133-S136 WeakPolarHBondContact O-CB 3.49Å; E133-S136 PolarHBondContact O-N 2.81Å; E133-S136 VanDerWaalsContact O-N 3.13Å; E133-S136 PolarHBondContact O-OG 2.89Å; S136-A139 PolarHBondContact O-N 2.81Å; S136-L140 WeakPolarHBondContact O-CB 3.33Å; S136-L140 PolarHBondContact O-N 3.33Å
137T85.7Confident87.7Confident100 Ų10044.6 Ų44.661%0.61322%0.224SC*.Hα-helixtrans-65-52.7178-50.60000111.1W135 A139 L140 E141W135-T137 VanDerWaalsContact C-N 3.32Å; W135-T137 PolarHBondContact O-N 3.33Å; T137-A139 VanDerWaalsContact C-N 3.28Å; T137-A139 PolarHBondContact O-N 2.88Å; T137-L140 WeakPolarHBondContact O-CB 3.45Å; T137-L140 PolarHBondContact O-N 3.36Å; T137-L140 VanDerWaalsContact O-N 3.11Å; T137-E141 PolarHBondContact O-N 3.4Å
138C83.3Confident87.8Confident40 Ų4048.5 Ų48.527%0.2725%0.251SS..Hα-helixtrans-64.1-33.9177.5-59.30000112.1F110 W135 L140 E141 L142F110-C138 HydrophobicContact CE2-CB 4.06Å; F110-C138 HydrophobicContact CZ-CB 3.9Å; W135-C138 HydrophobicContact CD2-CB 3.7Å; W135-C138 HydrophobicContact CE3-CB 4.32Å; W135-C138 HydrophobicContact CG-CB 4.09Å; W135-C138 HydrophobicContact CH2-CB 4.14Å; W135-C138 HydrophobicContact CZ2-CB 3.5Å; W135-C138 PolarHBondContact O-N 3.34Å; C138-L140 VanDerWaalsContact C-N 3.33Å; C138-L140 PolarHBondContact O-N 2.89Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-L142 WeakPolarHBondContact O-CB 3.42Å; C138-L142 PolarHBondContact O-N 2.99Å
139A84.3Confident87.8Confident1 Ų151.8 Ų51.81%0.00827%0.266CS..Hα-helixtrans-63.1-39.8173.600000112.3Y131 W135 S136 T137 R143Y131-A139 HydrophobicContact CD1-CB 3.79Å; Y131-A139 HydrophobicContact CD2-CB 3.45Å; Y131-A139 VanDerWaalsContact CD2-CB 3.45Å; Y131-A139 HydrophobicContact CE1-CB 3.83Å; Y131-A139 HydrophobicContact CE2-CB 3.52Å; Y131-A139 HydrophobicContact CG-CB 3.59Å; W135-A139 HydrophobicContact CE3-CB 3.52Å; W135-A139 HydrophobicContact CZ3-CB 3.66Å; W135-A139 WeakPolarHBondContact O-CB 3.46Å; W135-A139 PolarHBondContact O-N 3.1Å; S136-A139 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact C-N 3.28Å; T137-A139 PolarHBondContact O-N 2.88Å; A139-R143 VanDerWaalsContact O-CB 3.23Å; A139-R143 WeakPolarHBondContact O-CB 3.44Å; A139-R143 PolarHBondContact O-N 2.92Å
140L86.2Confident87.7Confident106 Ų10659.3 Ų59.356%0.55531%0.306SS*.Hα-helixtrans-68.4-41.8177.7-177.763.2000111.2S136 T137 C138 R143 T144S136-L140 WeakPolarHBondContact O-CB 3.33Å; S136-L140 PolarHBondContact O-N 3.33Å; T137-L140 WeakPolarHBondContact O-CB 3.45Å; T137-L140 PolarHBondContact O-N 3.36Å; T137-L140 VanDerWaalsContact O-N 3.11Å; C138-L140 VanDerWaalsContact C-N 3.33Å; C138-L140 PolarHBondContact O-N 2.89Å; L140-R143 PolarHBondContact O-N 3.42Å; L140-T144 WeakPolarHBondContact O-CB 3.47Å; L140-T144 PolarHBondContact O-N 3.36Å; L140-T144 PolarHBondContact O-OG1 3.03Å
141E87.2Confident87.4Confident93 Ų9360.3 Ų60.344%0.43531%0.311SS..Hα-helixtrans-62.7-48.7174.4-69.7173.7-164.500111.4F110 T137 C138 R143 T144 Y145F110-E141 VanDerWaalsContact CD1-OE2 3.26Å; F110-E141 WeakPolarHBondContact CD1-OE2 3.44Å; F110-E141 HydrophobicContact CE1-CB 3.67Å; F110-E141 WeakPolarHBondContact CE1-OE2 3.36Å; F110-E141 HydrophobicContact CZ-CB 4.35Å; T137-E141 PolarHBondContact O-N 3.4Å; C138-E141 PolarHBondContact O-N 3.43Å; E141-R143 VanDerWaalsContact C-N 3.33Å; E141-R143 PolarHBondContact O-N 3.39Å; E141-T144 PolarHBondContact O-N 2.99Å; E141-Y145 WeakPolarHBondContact O-CB 3.36Å; E141-Y145 PolarHBondContact O-N 2.91Å
142L85.9Confident87.3Confident2 Ų259.7 Ų59.71%0.0131%0.312CS..Hα-helixtrans-56.6-47.3174.4172.662.6000111.3F29 L114 F117 V129 W135 C138 T144 Y145 L146F29-L142 HydrophobicContact CD1-CD2 3.87Å; F29-L142 HydrophobicContact CE1-CD2 3.71Å; L114-L142 HydrophobicContact CD2-CB 3.85Å; L114-L142 HydrophobicContact CD2-CD1 3.36Å; L114-L142 HydrophobicContact CD2-CG 4.2Å; F117-L142 HydrophobicContact CD1-CD1 3.65Å; F117-L142 HydrophobicContact CE1-CD1 3.8Å; F117-L142 HydrophobicContact CG-CD1 4.35Å; V129-L142 HydrophobicContact CG1-CD2 4.09Å; V129-L142 HydrophobicContact CG2-CD2 4.18Å; W135-L142 HydrophobicContact CH2-CB 4.23Å; W135-L142 HydrophobicContact CH2-CD2 3.82Å; W135-L142 HydrophobicContact CZ3-CD2 4.15Å; C138-L142 WeakPolarHBondContact O-CB 3.42Å; C138-L142 PolarHBondContact O-N 2.99Å; L142-T144 VanDerWaalsContact C-N 3.35Å; L142-T144 PolarHBondContact O-N 3.3Å; L142-Y145 PolarHBondContact O-N 3.44Å; L142-L146 HydrophobicContact CD1-CD1 3.75Å; L142-L146 HydrophobicContact CD1-CG 3.94Å; L142-L146 HydrophobicContact CG-CD1 3.89Å; L142-L146 HydrophobicContact CG-CG 4.46Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.19Å; L142-L146 PolarHBondContact O-N 2.91Å
143R87.5Confident87.2Confident92 Ų9260.3 Ų60.335%0.34732%0.316SS..Hα-helixtrans-59.1-47.4177.6179.4-174.2178.4170.91.5111.1A139 L140 E141 Y145 L146 Q147 V153A139-R143 VanDerWaalsContact O-CB 3.23Å; A139-R143 WeakPolarHBondContact O-CB 3.44Å; A139-R143 PolarHBondContact O-N 2.92Å; L140-R143 PolarHBondContact O-N 3.42Å; E141-R143 VanDerWaalsContact C-N 3.33Å; E141-R143 PolarHBondContact O-N 3.39Å; R143-Y145 VanDerWaalsContact C-N 3.33Å; R143-Y145 PolarHBondContact O-N 2.85Å; R143-L146 PolarHBondContact O-N 2.94Å; R143-Q147 HydrophobicContact CG-CG 4.28Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 VanDerWaalsContact O-CG 3.26Å; R143-Q147 WeakPolarHBondContact O-CG 3.2Å; R143-Q147 PolarHBondContact O-N 3.48Å; R143-V153 HydrophobicContact CB-CG1 4.46Å; R143-V153 HydrophobicContact CG-CB 4.35Å; R143-V153 HydrophobicContact CG-CG1 4.08Å
144T89.6Confident87.2Confident79 Ų7957.3 Ų57.349%0.48530%0.302SS..Hα-helixtrans-61.6-44-179.4-56.10000110.6L140 E141 L142 Q147 S148L140-T144 WeakPolarHBondContact O-CB 3.47Å; L140-T144 PolarHBondContact O-N 3.36Å; L140-T144 PolarHBondContact O-OG1 3.03Å; E141-T144 PolarHBondContact O-N 2.99Å; L142-T144 VanDerWaalsContact C-N 3.35Å; L142-T144 PolarHBondContact O-N 3.3Å; T144-Q147 PolarHBondContact O-N 3.48Å; T144-S148 WeakPolarHBondContact O-CB 3.4Å; T144-S148 PolarHBondContact O-N 3.03Å
145Y89.8Confident87.4Confident59 Ų5954.4 Ų54.423%0.23129%0.292CS..Hα-helixtrans-60.9-46.4176.3-176.9-82.3000112.1L114 Y118 E141 L142 R143 S148 H149L114-Y145 HydrophobicContact CB-CD1 4.26Å; L114-Y145 HydrophobicContact CB-CD2 4.19Å; L114-Y145 HydrophobicContact CB-CE1 4.37Å; L114-Y145 HydrophobicContact CB-CE2 4.25Å; L114-Y145 HydrophobicContact CB-CG 4.19Å; L114-Y145 HydrophobicContact CD1-CD2 3.92Å; L114-Y145 HydrophobicContact CD1-CG 3.99Å; Y118-Y145 HydrophobicContact CD2-CE1 4.41Å; Y118-Y145 HydrophobicContact CG-CE1 4.16Å; E141-Y145 WeakPolarHBondContact O-CB 3.36Å; E141-Y145 PolarHBondContact O-N 2.91Å; L142-Y145 PolarHBondContact O-N 3.44Å; R143-Y145 VanDerWaalsContact C-N 3.33Å; R143-Y145 PolarHBondContact O-N 2.85Å; Y145-S148 PolarHBondContact O-N 3.35Å; Y145-S148 PolarHBondContact O-OG 3.38Å; Y145-H149 AromaticContact CD1-ND1 4Å; Y145-H149 AromaticContact CE1-CE1 3.59Å; Y145-H149 AromaticContact CE1-ND1 3.77Å; Y145-H149 AromaticContact CE2-CE1 3.85Å; Y145-H149 AromaticContact CZ-CE1 3.45Å; Y145-H149 VanDerWaalsContact CZ-CE1 3.45Å; Y145-H149 PolarHBondContact O-N 3.44Å; Y145-H149 PolarHBondContact O-ND1 2.77Å
146L89Confident87.6Confident0 Ų053.2 Ų53.20%029%0.288CS..Hα-helixtrans-68-40.3179.2-68.1170.5000112F117 Y118 V121 I127 L142 R143 S148 H149 M151 V153F117-L146 HydrophobicContact CD1-CD2 4.05Å; F117-L146 HydrophobicContact CE1-CD1 3.81Å; F117-L146 HydrophobicContact CE1-CD2 3.84Å; F117-L146 HydrophobicContact CE1-CG 4.32Å; Y118-L146 HydrophobicContact CD2-CD2 4.42Å; V121-L146 HydrophobicContact CG2-CD2 4.04Å; I127-L146 HydrophobicContact CD1-CD1 3.83Å; I127-L146 HydrophobicContact CD1-CD2 3.8Å; I127-L146 HydrophobicContact CD1-CG 4.32Å; I127-L146 HydrophobicContact CG2-CD1 4.35Å; L142-L146 HydrophobicContact CD1-CD1 3.75Å; L142-L146 HydrophobicContact CD1-CG 3.94Å; L142-L146 HydrophobicContact CG-CD1 3.89Å; L142-L146 HydrophobicContact CG-CG 4.46Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.19Å; L142-L146 PolarHBondContact O-N 2.91Å; R143-L146 PolarHBondContact O-N 2.94Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.26Å; L146-H149 CarbonylContact O-C 3.49Å; L146-H149 PolarHBondContact O-N 2.96Å; L146-H149 VanDerWaalsContact O-N 3.09Å; L146-M151 HydrophobicContact CB-CB 4.32Å; L146-M151 HydrophobicContact CD2-SD 3.86Å; L146-M151 WeakPolarHBondContact O-CB 3.43Å; L146-M151 PolarHBondContact O-N 2.67Å; L146-M151 VanDerWaalsContact O-N 3.14Å; L146-V153 HydrophobicContact CB-CG2 3.53Å; L146-V153 HydrophobicContact CD1-CG1 4.46Å; L146-V153 HydrophobicContact CD1-CG2 3.93Å; L146-V153 HydrophobicContact CG-CG2 4.41Å
147Q88.9Confident87.9Confident85 Ų8552.1 Ų52.140%0.39728%0.279SS..Hα-helixtrans-66.4-34177-72.8-178.4-47.500112R143 T144 H149 N150 V153R143-Q147 HydrophobicContact CG-CG 4.28Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 VanDerWaalsContact O-CG 3.26Å; R143-Q147 WeakPolarHBondContact O-CG 3.2Å; R143-Q147 PolarHBondContact O-N 3.48Å; T144-Q147 PolarHBondContact O-N 3.48Å; Q147-H149 PolarHBondContact O-N 2.68Å; Q147-N150 PolarHBondContact O-N 3.47Å; Q147-V153 HydrophobicContact CG-CB 4.45Å; Q147-V153 HydrophobicContact CG-CG2 4.19Å
148S91Very high88.3Confident82 Ų8247.3 Ų47.357%0.57325%0.25SC*.Hα-helixtrans-66.1-17.8173.575.90000113.1T144 Y145 L146T144-S148 WeakPolarHBondContact O-CB 3.4Å; T144-S148 PolarHBondContact O-N 3.03Å; Y145-S148 PolarHBondContact O-N 3.35Å; Y145-S148 PolarHBondContact O-OG 3.38Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.26Å
149H89.1Confident88.8Confident70 Ų7045.5 Ų45.532%0.32424%0.237SC..THydrogen-bonded Turntrans-99.723.2172.9-6581.1000112.5Y118 Y145 L146 Q147 M151Y118-H149 HydrophobicContact CD2-CB 4.22Å; Y118-H149 HydrophobicContact CE2-CB 3.53Å; Y118-H149 AromaticContact CE2-CD2 3.87Å; Y118-H149 AromaticContact CE2-CG 3.77Å; Y118-H149 AromaticContact CZ-CD2 3.72Å; Y145-H149 AromaticContact CD1-ND1 4Å; Y145-H149 AromaticContact CE1-CE1 3.59Å; Y145-H149 AromaticContact CE1-ND1 3.77Å; Y145-H149 AromaticContact CE2-CE1 3.85Å; Y145-H149 AromaticContact CZ-CE1 3.45Å; Y145-H149 VanDerWaalsContact CZ-CE1 3.45Å; Y145-H149 PolarHBondContact O-N 3.44Å; Y145-H149 PolarHBondContact O-ND1 2.77Å; L146-H149 CarbonylContact O-C 3.49Å; L146-H149 PolarHBondContact O-N 2.96Å; L146-H149 VanDerWaalsContact O-N 3.09Å; Q147-H149 PolarHBondContact O-N 2.68Å; H149-M151 HydrophobicContact CB-CG 4.49Å; H149-M151 PolarHBondContact O-N 2.92Å
150N87.2Confident89.2Confident159 Ų15947.6 Ų47.685%0.8525%0.249SC*.THydrogen-bonded Turntrans59.624178.3-64.6-43.8000115.3Q147Q147-N150 PolarHBondContact O-N 3.47Å
151M86.4Confident89.5Confident21 Ų2142.7 Ų42.710%0.10322%0.223CC..  trans-85.8142.1176.9-56.6-158.776.700112Y118 V121 S124 I127 L146 H149 V153Y118-M151 HydrophobicContact CD2-SD 4.05Å; Y118-M151 HydrophobicContact CE2-SD 3.98Å; V121-M151 HydrophobicContact CG2-CE 4.3Å; V121-M151 HydrophobicContact CG2-SD 4.06Å; V121-M151 WeakPolarHBondContact O-CE 3.26Å; S124-M151 WeakPolarHBondContact O-CE 3.38Å; I127-M151 HydrophobicContact CD1-CB 4.43Å; I127-M151 HydrophobicContact CD1-CE 3.43Å; I127-M151 VanDerWaalsContact CD1-CE 3.43Å; I127-M151 HydrophobicContact CD1-SD 3.55Å; I127-M151 VanDerWaalsContact CD1-SD 3.55Å; I127-M151 HydrophobicContact CG1-CE 3.99Å; L146-M151 HydrophobicContact CB-CB 4.32Å; L146-M151 HydrophobicContact CD2-SD 3.86Å; L146-M151 WeakPolarHBondContact O-CB 3.43Å; L146-M151 PolarHBondContact O-N 2.67Å; L146-M151 VanDerWaalsContact O-N 3.14Å; H149-M151 HydrophobicContact CB-CG 4.49Å; H149-M151 PolarHBondContact O-N 2.92Å; M151-V153 HydrophobicContact CB-CG2 4.44Å; M151-V153 PolarHBondContact O-N 2.97Å
152S87.1Confident89.7Confident21 Ų2144 Ų4415%0.14723%0.229CC..EExtended strand (participates in β ladder)trans-79118170.5173.40000110.1V126 I127 T306V126-S152 WeakPolarHBondContact CA-O 3.44Å; I127-S152 PolarHBondContact N-O 2.91Å; S152-T306 WeakPolarHBondContact OG-CB 3.28Å; S152-T306 WeakPolarHBondContact OG-CG2 3.45Å; S152-T306 PolarHBondContact OG-O 3.41Å
153V87.9Confident90Very high14 Ų1445.2 Ų45.29%0.08524%0.236CC..EExtended strand (participates in β ladder)trans-121.6126.7-176.1-173.30000111.2I127 V129 R143 L146 Q147 M151I127-V153 CarbonylContact O-C 3.51Å; I127-V153 WeakPolarHBondContact O-CA 3.45Å; V129-V153 HydrophobicContact CG2-CG1 3.91Å; R143-V153 HydrophobicContact CB-CG1 4.46Å; R143-V153 HydrophobicContact CG-CB 4.35Å; R143-V153 HydrophobicContact CG-CG1 4.08Å; L146-V153 HydrophobicContact CB-CG2 3.53Å; L146-V153 HydrophobicContact CD1-CG1 4.46Å; L146-V153 HydrophobicContact CD1-CG2 3.93Å; L146-V153 HydrophobicContact CG-CG2 4.41Å; Q147-V153 HydrophobicContact CG-CB 4.45Å; Q147-V153 HydrophobicContact CG-CG2 4.19Å; M151-V153 HydrophobicContact CB-CG2 4.44Å; M151-V153 PolarHBondContact O-N 2.97Å
154I88.4Confident89.7Confident22 Ų2245.3 Ų45.311%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-109.2122.6174.3-56.5-178.9000108.4V126 I127 V128 V129 V156 V302 L303 F312V126-I154 HydrophobicContact CG1-CD1 3.77Å; V126-I154 HydrophobicContact CG1-CG1 3.99Å; I127-I154 PolarHBondContact O-N 3.27Å; V128-I154 CarbonylContact C-O 3.55Å; V128-I154 WeakPolarHBondContact CA-O 3.46Å; V128-I154 HydrophobicContact CG1-CB 4.47Å; V128-I154 HydrophobicContact CG1-CG2 4.47Å; V128-I154 HydrophobicContact CG2-CB 4.26Å; V128-I154 HydrophobicContact CG2-CD1 4.41Å; V129-I154 PolarHBondContact N-O 3.43Å; I154-V156 HydrophobicContact CG2-CG2 4.47Å; I154-V302 HydrophobicContact CD1-CG1 3.61Å; I154-V302 HydrophobicContact CG2-CG1 4.14Å; I154-L303 HydrophobicContact CD1-CD2 4.24Å; I154-F312 HydrophobicContact CG2-CD2 4.23Å
155S89.1Confident89.1Confident21 Ų2143.7 Ų43.715%0.14724%0.236CC..EExtended strand (participates in β ladder)trans-104.5124.2-176.9-65.90000111.7
156V91.3Very high88.3Confident3 Ų345.2 Ų45.22%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-122.2107.8179.2-174.20000109.7L50 L54 V128 V129 V130 Y131 I154 F312L50-V156 HydrophobicContact CD2-CG1 3.99Å; L54-V156 HydrophobicContact CD1-CG2 4.37Å; V128-V156 HydrophobicContact CG1-CG2 4.12Å; V129-V156 PolarHBondContact O-N 3.3Å; V130-V156 CarbonylContact C-O 3.57Å; V130-V156 VanDerWaalsContact CA-O 3.31Å; V130-V156 WeakPolarHBondContact CA-O 3.42Å; V130-V156 HydrophobicContact CB-CB 4.41Å; V130-V156 HydrophobicContact CG1-CB 4.21Å; V130-V156 HydrophobicContact CG1-CG1 4.24Å; V130-V156 HydrophobicContact CG2-CB 4.15Å; V130-V156 HydrophobicContact CG2-CG2 4.47Å; Y131-V156 WeakPolarHBondContact CD1-O 3.28Å; Y131-V156 PolarHBondContact N-O 3.2Å; I154-V156 HydrophobicContact CG2-CG2 4.47Å; V156-F312 HydrophobicContact CB-CD1 4.45Å; V156-F312 HydrophobicContact CG1-CD1 3.81Å; V156-F312 HydrophobicContact CG1-CE1 3.92Å; V156-F312 HydrophobicContact CG1-CG 4.46Å; V156-F312 HydrophobicContact CG2-CB 4.27Å; V156-F312 HydrophobicContact CG2-CD1 3.82Å; V156-F312 HydrophobicContact CG2-CD2 3.76Å; V156-F312 HydrophobicContact CG2-CE1 4.06Å; V156-F312 HydrophobicContact CG2-CE2 4.03Å; V156-F312 HydrophobicContact CG2-CG 3.66Å; V156-F312 HydrophobicContact CG2-CZ 4.18Å
157V91.8Very high87.8Confident24 Ų2452.5 Ų52.515%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-85.5138.6177.168.10000111.8Y131 E133 R219Y131-V157 HydrophobicContact CD2-CG2 4.33Å; Y131-V157 HydrophobicContact CE2-CB 3.97Å; Y131-V157 HydrophobicContact CE2-CG2 3.83Å; Y131-V157 CarbonylContact O-C 3.49Å; Y131-V157 WeakPolarHBondContact O-CA 2.89Å; E133-V157 HydrophobicContact CB-CG2 4Å; V157-R219 HydrophobicContact CG1-CB 4.35Å; V157-R219 HydrophobicContact CG1-CG 3.59Å
158V93.1Very high87.5Confident0 Ų055.8 Ų55.80%032%0.316CS..EExtended strand (participates in β ladder)trans-113.8118.6177.6-178.70000108.9R46 T47 L50 V130 Y131 P132 E133 A218R46-V158 HydrophobicContact CB-CG1 4.33Å; R46-V158 HydrophobicContact CG-CG1 3.72Å; T47-V158 HydrophobicContact CG2-CG2 4.2Å; L50-V158 HydrophobicContact CD2-CG2 3.65Å; V130-V158 HydrophobicContact CG1-CG2 3.84Å; Y131-V158 PolarHBondContact O-N 3.35Å; P132-V158 CarbonylContact C-O 3.52Å; P132-V158 WeakPolarHBondContact CA-O 3.11Å; E133-V158 PolarHBondContact N-O 3.11Å; V158-A218 CarbonylContact C-O 3.6Å
159G93.2Very high87.2Confident1 Ų152.7 Ų52.71%0.0129%0.293CS..PPolyproline II helixtrans-63.7146.1-179.900000111.7R46 A218R46-G159 PolarHBondContact NH1-O 3.3Å; G159-A218 PolarHBondContact N-O 3.21Å
160N92.8Very high87Confident46 Ų4651.8 Ų51.825%0.24629%0.293CS..PPolyproline II helixtrans-63.6150.6-174-65.1-31.2000113.3F134 P221 I222F134-N160 VanDerWaalsContact CD1-OD1 3.22Å; F134-N160 WeakPolarHBondContact CD1-OD1 2.93Å; F134-N160 PolarHBondContact N-OD1 2.69Å; N160-P221 CarbonylContact O-C 3.47Å; N160-P221 WeakPolarHBondContact O-CA 3.29Å; N160-P221 WeakPolarHBondContact O-CB 3.5Å; N160-I222 PolarHBondContact O-N 3.08Å
161V93.4Very high86.8Confident2 Ų244.3 Ų44.31%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-95127.5167.8-176.30000108.1S39 I42 T43 V163 I222 V224S39-V161 WeakPolarHBondContact CB-O 3.49Å; S39-V161 PolarHBondContact OG-O 2.86Å; I42-V161 HydrophobicContact CB-CB 4.12Å; I42-V161 HydrophobicContact CB-CG1 3.89Å; I42-V161 HydrophobicContact CB-CG2 4.32Å; I42-V161 HydrophobicContact CD1-CG1 4.44Å; I42-V161 HydrophobicContact CG2-CB 4.18Å; I42-V161 HydrophobicContact CG2-CG1 3.7Å; I42-V161 HydrophobicContact CG2-CG2 4.03Å; T43-V161 WeakPolarHBondContact OG1-CB 3.41Å; T43-V161 PolarHBondContact OG1-N 3.1Å; V161-V163 HydrophobicContact CG1-CG2 4.41Å; V161-I222 CarbonylContact C-O 3.28Å; V161-I222 VanDerWaalsContact CA-O 3.31Å; V161-I222 WeakPolarHBondContact CA-O 3.24Å; V161-I222 HydrophobicContact CB-CG1 4.25Å; V161-I222 HydrophobicContact CG1-CG1 4.16Å; V161-I222 HydrophobicContact CG2-CD1 3.92Å; V161-I222 HydrophobicContact CG2-CG1 3.72Å; V161-V224 HydrophobicContact CG1-CB 4Å; V161-V224 HydrophobicContact CG1-CG2 3.52Å
162Q92.1Very high86.8Confident121 Ų12143.6 Ų43.657%0.56525%0.25SC*.EExtended strand (participates in β ladder)trans-101.6141171.4-67.6178-21.100108.8I222 S223 V224Q162-I222 PolarHBondContact N-O 2.78Å; Q162-S223 CarbonylContact O-C 3.6Å; Q162-S223 VanDerWaalsContact O-CA 3.28Å; Q162-S223 WeakPolarHBondContact O-CA 3.4Å; Q162-V224 PolarHBondContact O-N 3.43Å
163V90.6Very high86.8Confident27 Ų2745.4 Ų45.416%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-120145.5178.9177.30000109.7I42 V161 S165 F169 V224 L226I42-V163 HydrophobicContact CD1-CG2 3.64Å; V161-V163 HydrophobicContact CG1-CG2 4.41Å; V163-S165 PolarHBondContact O-N 2.99Å; V163-S165 VanDerWaalsContact O-N 3.1Å; V163-F169 HydrophobicContact CB-CE1 4.02Å; V163-F169 HydrophobicContact CB-CZ 4.2Å; V163-F169 HydrophobicContact CG1-CE1 3.73Å; V163-F169 HydrophobicContact CG1-CZ 4.08Å; V163-F169 HydrophobicContact CG2-CE1 4.09Å; V163-F169 HydrophobicContact CG2-CZ 3.75Å; V163-V224 WeakPolarHBondContact CA-O 3.21Å; V163-V224 HydrophobicContact CG2-CB 4.32Å; V163-L226 HydrophobicContact CG1-CB 4.4Å; V163-L226 HydrophobicContact CG1-CD1 3.49Å; V163-L226 VanDerWaalsContact CG1-CD1 3.49Å; V163-L226 HydrophobicContact CG1-CG 3.57Å
164N82.4Confident87Confident94 Ų9444.8 Ų44.850%0.50325%0.254SS..SBendtrans-7719178.269.3-32.6000114.3V224 N225 L226N164-V224 PolarHBondContact N-O 3.4Å; N164-N225 PolarHBondContact ND2-ND2 3.04Å; N164-N225 PolarHBondContact ND2-OD1 3.45Å; N164-N225 WeakPolarHBondContact OD1-CA 3.41Å; N164-L226 PolarHBondContact OD1-N 3.25Å
165S76Confident87Confident46 Ų4643.8 Ų43.832%0.32225%0.249SC..  trans-123.7131.3174-177.30000107.9V163 E167V163-S165 PolarHBondContact O-N 2.99Å; V163-S165 VanDerWaalsContact O-N 3.1Å; S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact OG-N 3.43Å; S165-E167 VanDerWaalsContact OG-N 3.16Å
166G72.7Confident87.1Confident90 Ų9048.3 Ų48.393%0.92826%0.263SS*.  trans-81.7-7.4169.500000113
167E79.2Confident87.2Confident153 Ų15349.1 Ų49.172%0.71527%0.268SS*.SBendtrans-87.3149.9-177.3-61.4-177.8168.200111.5S165 F169S165-E167 VanDerWaalsContact C-N 3.26Å; S165-E167 PolarHBondContact OG-N 3.43Å; S165-E167 VanDerWaalsContact OG-N 3.16Å; E167-F169 WeakPolarHBondContact O-CD1 3.45Å; E167-F169 PolarHBondContact O-N 2.72Å
168F83.7Confident87.3Confident154 Ų15448 Ų4868%0.67526%0.261SS*.  trans-65.1131.5169.5-68.8-77.2000109.9I37 D38I37-F168 HydrophobicContact CB-CD1 4.44Å; I37-F168 HydrophobicContact CD1-CD1 3.77Å; I37-F168 HydrophobicContact CD1-CE1 4.06Å; I37-F168 HydrophobicContact CG1-CD1 4.02Å; I37-F168 HydrophobicContact CG1-CE1 4.48Å; D38-F168 HydrophobicContact CB-CD1 3.9Å; D38-F168 HydrophobicContact CB-CE1 4.37Å; D38-F168 WeakPolarHBondContact OD2-CE1 3.21Å
169F84.7Confident87.3Confident17 Ų1749.6 Ų49.68%0.07527%0.269CS..  trans-136.6144.8173.161.6-88.5000109.1I37 D38 I42 V163 E167 L226I37-F169 CarbonylContact C-O 3.58Å; I37-F169 WeakPolarHBondContact CA-O 3.22Å; D38-F169 PolarHBondContact N-O 2.67Å; D38-F169 VanDerWaalsContact O-CZ 3.28Å; D38-F169 WeakPolarHBondContact O-CZ 3.48Å; I42-F169 HydrophobicContact CD1-CE2 3.84Å; I42-F169 HydrophobicContact CD1-CZ 3.85Å; I42-F169 HydrophobicContact CG1-CE2 4.05Å; I42-F169 HydrophobicContact CG1-CZ 4.23Å; V163-F169 HydrophobicContact CB-CE1 4.02Å; V163-F169 HydrophobicContact CB-CZ 4.2Å; V163-F169 HydrophobicContact CG1-CE1 3.73Å; V163-F169 HydrophobicContact CG1-CZ 4.08Å; V163-F169 HydrophobicContact CG2-CE1 4.09Å; V163-F169 HydrophobicContact CG2-CZ 3.75Å; E167-F169 WeakPolarHBondContact O-CD1 3.45Å; E167-F169 PolarHBondContact O-N 2.72Å; F169-L226 HydrophobicContact CB-CD1 4.48Å; F169-L226 HydrophobicContact CD1-CD1 3.52Å; F169-L226 HydrophobicContact CD2-CD1 3.47Å; F169-L226 VanDerWaalsContact CD2-CD1 3.47Å; F169-L226 HydrophobicContact CE1-CD1 3.54Å; F169-L226 HydrophobicContact CE2-CD1 3.52Å; F169-L226 HydrophobicContact CG-CD1 3.52Å; F169-L226 HydrophobicContact CZ-CD1 3.57Å
170P83.6Confident87.2Confident52 Ų5254.4 Ų54.434%0.33829%0.29SS..BIsolated β-bridgetrans-71147.6171.730.8-35.6000110.8T172 D173P170-T172 WeakPolarHBondContact CB-OG1 3.5Å; P170-T172 PolarHBondContact O-N 3.46Å; P170-D173 VanDerWaalsContact CD-OD2 3.28Å; P170-D173 WeakPolarHBondContact CD-OD2 3.38Å; P170-D173 HydrophobicContact CG-CB 4.39Å; P170-D173 WeakPolarHBondContact CG-OD2 3.35Å; P170-D173 PolarHBondContact O-N 2.77Å
171I84.4Confident87.2Confident1 Ų152.6 Ų52.61%0.00528%0.28CS..Hα-helixtrans-53.7-26175.3-17258.5000113.6W36 A41 I42 L45 I78 D173 Y174 I175W36-I171 HydrophobicContact CB-CG2 4.36Å; W36-I171 HydrophobicContact CE3-CB 4.41Å; W36-I171 HydrophobicContact CE3-CG1 4.42Å; W36-I171 HydrophobicContact CE3-CG2 4.07Å; W36-I171 PolarHBondContact O-N 3.48Å; W36-I171 VanDerWaalsContact O-N 3.1Å; A41-I171 HydrophobicContact CB-CB 3.89Å; A41-I171 HydrophobicContact CB-CD1 4.27Å; A41-I171 HydrophobicContact CB-CG1 4.44Å; I42-I171 HydrophobicContact CB-CD1 4.15Å; I42-I171 HydrophobicContact CG1-CD1 3.6Å; L45-I171 HydrophobicContact CB-CD1 4.37Å; L45-I171 HydrophobicContact CD2-CD1 4.12Å; L45-I171 HydrophobicContact CD2-CG1 4.38Å; I78-I171 HydrophobicContact CD1-CG2 3.2Å; I171-D173 PolarHBondContact O-N 3.33Å; I171-Y174 HydrophobicContact CD1-CD1 3.88Å; I171-Y174 HydrophobicContact CD1-CG 4.48Å; I171-Y174 WeakPolarHBondContact O-CB 3.43Å; I171-Y174 PolarHBondContact O-N 2.87Å; I171-I175 HydrophobicContact CG1-CD1 4.39Å; I171-I175 PolarHBondContact O-N 2.93Å
172T85Confident87.2Confident6 Ų652.6 Ų52.64%0.03728%0.28CS..Hα-helixtrans-62.2-30.4175.944.60000113.1I78 P170 I175 R176I78-T172 HydrophobicContact CB-CG2 3.47Å; I78-T172 VanDerWaalsContact CB-CG2 3.47Å; I78-T172 HydrophobicContact CD1-CG2 3.66Å; I78-T172 HydrophobicContact CG1-CG2 4.16Å; I78-T172 HydrophobicContact CG2-CG2 3.14Å; P170-T172 WeakPolarHBondContact CB-OG1 3.5Å; P170-T172 PolarHBondContact O-N 3.46Å; T172-I175 PolarHBondContact O-N 3.39Å; T172-R176 VanDerWaalsContact O-CB 3.28Å; T172-R176 WeakPolarHBondContact O-CB 3.47Å; T172-R176 WeakPolarHBondContact O-CG 3.2Å; T172-R176 PolarHBondContact O-N 3.34Å; T172-R176 PolarHBondContact OG1-NH1 3.32Å
173D88Confident87Confident60 Ų6050.6 Ų50.632%0.32127%0.271SS..Hα-helixtrans-71.3-36.2178.2-69.5-9.3000111P170 I171 R176 T177P170-D173 VanDerWaalsContact CD-OD2 3.28Å; P170-D173 WeakPolarHBondContact CD-OD2 3.38Å; P170-D173 HydrophobicContact CG-CB 4.39Å; P170-D173 WeakPolarHBondContact CG-OD2 3.35Å; P170-D173 PolarHBondContact O-N 2.77Å; I171-D173 PolarHBondContact O-N 3.33Å; D173-R176 IonicContact OD1-NH1 3.32Å; D173-R176 PolarHBondContact OD1-NH1 2.98Å; D173-T177 VanDerWaalsContact O-CB 3.27Å; D173-T177 WeakPolarHBondContact O-CB 3.4Å; D173-T177 PolarHBondContact O-N 3.03Å; D173-T177 PolarHBondContact O-OG1 3.47Å
174Y90.6Very high87Confident0 Ų052.6 Ų52.60%028%0.278CS..Hα-helixtrans-58.2-48.9168.9168.2-114.4000111.7I42 L45 I171 T177 R178 I209 E212 L213 V224 L226I42-Y174 HydrophobicContact CD1-CD1 4.39Å; I42-Y174 HydrophobicContact CD1-CD2 4.01Å; I42-Y174 HydrophobicContact CD1-CG 3.87Å; I42-Y174 HydrophobicContact CG1-CD1 4.37Å; I42-Y174 HydrophobicContact CG1-CG 4.26Å; I42-Y174 HydrophobicContact CG2-CD1 4.32Å; I42-Y174 HydrophobicContact CG2-CE1 4.17Å; L45-Y174 HydrophobicContact CD2-CD1 4.35Å; L45-Y174 HydrophobicContact CD2-CE1 4.12Å; I171-Y174 HydrophobicContact CD1-CD1 3.88Å; I171-Y174 HydrophobicContact CD1-CG 4.48Å; I171-Y174 WeakPolarHBondContact O-CB 3.43Å; I171-Y174 PolarHBondContact O-N 2.87Å; Y174-T177 PolarHBondContact O-N 3.07Å; Y174-R178 HydrophobicContact CD2-CG 4.25Å; Y174-R178 HydrophobicContact CE2-CG 3.8Å; Y174-R178 WeakPolarHBondContact O-CG 3.45Å; Y174-R178 PolarHBondContact O-N 3Å; Y174-R178 VanDerWaalsContact O-N 3.08Å; Y174-I209 HydrophobicContact CE1-CD1 4.44Å; Y174-I209 HydrophobicContact CE1-CG1 4.11Å; Y174-I209 HydrophobicContact CE1-CG2 3.93Å; Y174-E212 WeakPolarHBondContact CE2-OE2 3.45Å; Y174-E212 PolarHBondContact OH-OE2 3.19Å; Y174-L213 HydrophobicContact CE1-CD1 4.42Å; Y174-V224 HydrophobicContact CD2-CG1 3.71Å; Y174-V224 HydrophobicContact CE2-CG1 3.55Å; Y174-L226 HydrophobicContact CD2-CD2 3.65Å; Y174-L226 HydrophobicContact CG-CD2 4.16Å
175I90.3Very high87.2Confident1 Ų150.9 Ų50.91%0.00527%0.269CS..Hα-helixtrans-66.6-44-178.1-62.4172.3000111.1C81 I84 Y85 I171 T172 R178 L179 I209C81-I175 HydrophobicContact CB-CD1 4.12Å; C81-I175 HydrophobicContact CB-CG2 4.26Å; C81-I175 VanDerWaalsContact SG-CG2 3.51Å; I84-I175 HydrophobicContact CD1-CG2 3.34Å; Y85-I175 HydrophobicContact CE2-CD1 3.5Å; Y85-I175 VanDerWaalsContact CE2-CD1 3.5Å; Y85-I175 WeakPolarHBondContact OH-CD1 3.47Å; I171-I175 HydrophobicContact CG1-CD1 4.39Å; I171-I175 PolarHBondContact O-N 2.93Å; T172-I175 PolarHBondContact O-N 3.39Å; I175-R178 PolarHBondContact O-N 3.16Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 PolarHBondContact O-N 3.14Å; I175-I209 HydrophobicContact CB-CD1 4.46Å; I175-I209 HydrophobicContact CG1-CD1 4.13Å; I175-I209 HydrophobicContact CG2-CD1 4.18Å
176R90.5Very high87.5Confident117 Ų11749.8 Ų49.844%0.44226%0.259SS..Hα-helixtrans-61.4-43.4176.7-74.6168.8-172.9148.2-2111.5T172 D173 R178 L179 K180T172-R176 VanDerWaalsContact O-CB 3.28Å; T172-R176 WeakPolarHBondContact O-CB 3.47Å; T172-R176 WeakPolarHBondContact O-CG 3.2Å; T172-R176 PolarHBondContact O-N 3.34Å; T172-R176 PolarHBondContact OG1-NH1 3.32Å; D173-R176 IonicContact OD1-NH1 3.32Å; D173-R176 PolarHBondContact OD1-NH1 2.98Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R176-R178 PolarHBondContact O-N 2.94Å; R176-L179 PolarHBondContact O-N 3.36Å; R176-K180 WeakPolarHBondContact O-CB 3.28Å; R176-K180 PolarHBondContact O-N 3.27Å
177T92.6Very high88Confident19 Ų1951.5 Ų51.512%0.11724%0.242CC..Hα-helixtrans-59.2-46.5175.6-70.20000111.1D173 Y174 K180 Q181 P228D173-T177 VanDerWaalsContact O-CB 3.27Å; D173-T177 WeakPolarHBondContact O-CB 3.4Å; D173-T177 PolarHBondContact O-N 3.03Å; D173-T177 PolarHBondContact O-OG1 3.47Å; Y174-T177 PolarHBondContact O-N 3.07Å; T177-K180 PolarHBondContact O-N 3.44Å; T177-Q181 VanDerWaalsContact O-CG 3.26Å; T177-Q181 WeakPolarHBondContact O-CG 3.31Å; T177-Q181 PolarHBondContact O-N 3.24Å; T177-Q181 PolarHBondContact O-OE1 3.41Å; T177-P228 HydrophobicContact CG2-CB 4.17Å
178R94.3Very high87.7Confident2 Ų252.8 Ų52.81%0.00824%0.241CC..Hα-helixtrans-66.3-39.5177.4-67.6-66174.7-89-7112.8Y174 I175 R176 Q181 V182 V208 I209 E212 N225Y174-R178 HydrophobicContact CD2-CG 4.25Å; Y174-R178 HydrophobicContact CE2-CG 3.8Å; Y174-R178 WeakPolarHBondContact O-CG 3.45Å; Y174-R178 PolarHBondContact O-N 3Å; Y174-R178 VanDerWaalsContact O-N 3.08Å; I175-R178 PolarHBondContact O-N 3.16Å; R176-R178 VanDerWaalsContact C-N 3.35Å; R176-R178 PolarHBondContact O-N 2.94Å; R178-Q181 PolarHBondContact O-N 3.19Å; R178-V182 WeakPolarHBondContact O-CG2 3.28Å; R178-V182 PolarHBondContact O-N 2.99Å; R178-V208 HydrophobicContact CB-CG1 4.19Å; R178-V208 HydrophobicContact CG-CG1 4.33Å; R178-I209 HydrophobicContact CB-CD1 4.42Å; R178-I209 HydrophobicContact CB-CG1 4.16Å; R178-I209 HydrophobicContact CG-CG1 4.18Å; R178-E212 IonicContact CZ-OE1 2.87Å; R178-E212 IonicContact CZ-OE2 2.77Å; R178-E212 IonicContact NE-OE1 3.22Å; R178-E212 IonicContact NE-OE2 3.15Å; R178-E212 PolarHBondContact NE-OE2 2.83Å; R178-E212 IonicContact NH2-OE1 3.94Å; R178-E212 PolarHBondContact NH2-OE1 3.15Å; R178-E212 IonicContact NH2-OE2 3.57Å; R178-E212 PolarHBondContact NH2-OE2 3.27Å; R178-N225 PolarHBondContact NH1-O 2.9Å; R178-N225 VanDerWaalsContact NH1-O 3.15Å; R178-N225 PolarHBondContact NH2-O 3.07Å
179L92.5Very high87Confident33 Ų3350.6 Ų50.617%0.17323%0.228CC..Hα-helixtrans-62.1-48.8176.6-177.960.1000110.9I175 R176 Q181 V182 E183 A201 C205I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 PolarHBondContact O-N 3.14Å; R176-L179 PolarHBondContact O-N 3.36Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; L179-Q181 PolarHBondContact O-N 3.34Å; L179-V182 WeakPolarHBondContact O-CB 2.95Å; L179-V182 PolarHBondContact O-N 2.93Å; L179-E183 HydrophobicContact CD1-CG 4.39Å; L179-E183 HydrophobicContact CG-CG 4.48Å; L179-E183 WeakPolarHBondContact O-CG 3.24Å; L179-E183 PolarHBondContact O-N 2.86Å; L179-A201 HydrophobicContact CD1-CB 4.35Å; L179-C205 HydrophobicContact CD1-CB 3.89Å
180K91.7Very high85.8Confident102 Ų10260.3 Ų60.344%0.44326%0.264SS..Hα-helixtrans-56.9-46.9177.1-175.4-178.6178.4-174.40111.9R176 T177 V182 E183 E184R176-K180 WeakPolarHBondContact O-CB 3.28Å; R176-K180 PolarHBondContact O-N 3.27Å; T177-K180 PolarHBondContact O-N 3.44Å; K180-V182 VanDerWaalsContact C-N 3.29Å; K180-V182 PolarHBondContact O-N 3.05Å; K180-E183 PolarHBondContact O-N 3.02Å; K180-E184 WeakPolarHBondContact CE-OE1 3.41Å; K180-E184 WeakPolarHBondContact O-CG 3.3Å; K180-E184 PolarHBondContact O-N 3.47Å
181Q93.4Very high84.8Confident8 Ų865.7 Ų65.74%0.03729%0.289CS..Hα-helixtrans-62.1-35.7177.2-69.9169.8-37.100112.4T177 R178 L179 L185 Y230 L232T177-Q181 VanDerWaalsContact O-CG 3.26Å; T177-Q181 WeakPolarHBondContact O-CG 3.31Å; T177-Q181 PolarHBondContact O-N 3.24Å; T177-Q181 PolarHBondContact O-OE1 3.41Å; R178-Q181 PolarHBondContact O-N 3.19Å; L179-Q181 VanDerWaalsContact C-N 3.35Å; L179-Q181 PolarHBondContact O-N 3.34Å; Q181-L185 WeakPolarHBondContact O-CG 3.5Å; Q181-L185 PolarHBondContact O-N 2.84Å; Q181-Y230 PolarHBondContact NE2-O 2.77Å; Q181-L232 HydrophobicContact CB-CD2 4.01Å; Q181-L232 HydrophobicContact CB-CG 3.91Å
182V92.1Very high83.9Confident1 Ų168.2 Ų68.21%0.00630%0.298CS..Hα-helixtrans-69.1-42.8174.71670000111.5R178 L179 K180 L185 Q186 A201 L204 C205 V208 L232R178-V182 WeakPolarHBondContact O-CG2 3.28Å; R178-V182 PolarHBondContact O-N 2.99Å; L179-V182 WeakPolarHBondContact O-CB 2.95Å; L179-V182 PolarHBondContact O-N 2.93Å; K180-V182 VanDerWaalsContact C-N 3.29Å; K180-V182 PolarHBondContact O-N 3.05Å; V182-L185 PolarHBondContact O-N 3.13Å; V182-Q186 HydrophobicContact CG1-CG 4.45Å; V182-Q186 WeakPolarHBondContact O-CG 3.5Å; V182-Q186 PolarHBondContact O-N 3.04Å; V182-A201 HydrophobicContact CG1-CB 4.27Å; V182-L204 HydrophobicContact CG1-CB 3.63Å; V182-L204 HydrophobicContact CG1-CD1 4.34Å; V182-C205 HydrophobicContact CG2-CB 4.46Å; V182-V208 HydrophobicContact CG2-CB 4.28Å; V182-V208 HydrophobicContact CG2-CG1 4.46Å; V182-V208 HydrophobicContact CG2-CG2 3.79Å; V182-L232 HydrophobicContact CG2-CD1 4.16Å
183E89.9Confident83Confident80 Ų8070.9 Ų70.937%0.37432%0.321SS..Hα-helixtrans-60.8-48.3177.2-71.8172.1156.700111L179 K180 L185 Q186 E187 A201L179-E183 HydrophobicContact CD1-CG 4.39Å; L179-E183 HydrophobicContact CG-CG 4.48Å; L179-E183 WeakPolarHBondContact O-CG 3.24Å; L179-E183 PolarHBondContact O-N 2.86Å; K180-E183 PolarHBondContact O-N 3.02Å; E183-L185 VanDerWaalsContact C-N 3.27Å; E183-L185 PolarHBondContact O-N 3.34Å; E183-Q186 PolarHBondContact O-N 3.17Å; E183-E187 WeakPolarHBondContact O-CG 3.46Å; E183-E187 PolarHBondContact O-N 3.14Å; E183-A201 HydrophobicContact CG-CB 4.02Å
184E89.2Confident82.3Confident69 Ų6973.6 Ų73.632%0.32233%0.332SS..Hα-helixtrans-59-35.5175.7-71.9174.6-175.400112.7K180 R188K180-E184 WeakPolarHBondContact CE-OE1 3.41Å; K180-E184 WeakPolarHBondContact O-CG 3.3Å; K180-E184 PolarHBondContact O-N 3.47Å; E184-R188 WeakPolarHBondContact O-CG 3.11Å
185L86.7Confident81.5Confident57 Ų5779.1 Ų79.130%0.29837%0.365SS..Hα-helixtrans-70.4-37.1173.3-78.1-175.5000113Q181 V182 E183 L232 I240Q181-L185 WeakPolarHBondContact O-CG 3.5Å; Q181-L185 PolarHBondContact O-N 2.84Å; V182-L185 PolarHBondContact O-N 3.13Å; E183-L185 VanDerWaalsContact C-N 3.27Å; E183-L185 PolarHBondContact O-N 3.34Å; L185-L232 HydrophobicContact CD1-CD1 3.56Å; L185-I240 HydrophobicContact CD1-CD1 3.74Å
186Q83.6Confident81.1Confident24 Ų2484.4 Ų84.411%0.11239%0.39CS..Hα-helixtrans-70.8-38.1178.4-73.4-70.7-70.200111.7V182 E183 R188 R189 L204V182-Q186 HydrophobicContact CG1-CG 4.45Å; V182-Q186 WeakPolarHBondContact O-CG 3.5Å; V182-Q186 PolarHBondContact O-N 3.04Å; E183-Q186 PolarHBondContact O-N 3.17Å; Q186-R188 PolarHBondContact O-N 3.3Å; Q186-R189 PolarHBondContact O-N 3.19Å; Q186-L204 HydrophobicContact CG-CD1 4.08Å
187E81.3Confident80.6Confident125 Ų12583.1 Ų83.158%0.58439%0.385SS*.Hα-helixtrans-58.4-31.7178.4-76.6-175.4169.300112.9E183 R189 R190E183-E187 WeakPolarHBondContact O-CG 3.46Å; E183-E187 PolarHBondContact O-N 3.14Å; E187-R189 PolarHBondContact O-N 2.98Å; E187-R190 WeakPolarHBondContact O-CG 3.3Å
188R74Confident80.3Confident180 Ų18086.1 Ų86.168%0.67940%0.398SS*.THydrogen-bonded Turntrans-67.8-15.8175.8-62.8176.1-163.9-175.95.3113.4E184 Q186E184-R188 WeakPolarHBondContact O-CG 3.11Å; Q186-R188 PolarHBondContact O-N 3.3Å
189R69.3Low79.8Confident108 Ų10887.8 Ų87.841%0.40841%0.412SS..THydrogen-bonded Turntrans-102.4-3.3-175.3-63-172.9179.9-1682.9115.5Q186 E187 L191 M378Q186-R189 PolarHBondContact O-N 3.19Å; E187-R189 PolarHBondContact O-N 2.98Å; R189-L191 VanDerWaalsContact O-CG 3.31Å; R189-L191 WeakPolarHBondContact O-CG 3.44Å; R189-L191 PolarHBondContact O-N 3.42Å; R189-L191 VanDerWaalsContact O-N 3.08Å; R189-M378 PolarHBondContact NH1-OXT 2.7Å; R189-M378 VanDerWaalsContact NH1-OXT 3.09Å
190R59.6Low79.6Confident222 Ų22286.4 Ų86.484%0.83841%0.405SS*.  trans20.663.4169.5-60.3-168.7176.4173.8-2119E187E187-R190 WeakPolarHBondContact O-CG 3.3Å
191L61Low79.6Confident165 Ų16581.7 Ų81.786%0.86439%0.385SS*.  trans-138.52.1179.5-72.8171.5000117.3R189R189-L191 VanDerWaalsContact O-CG 3.31Å; R189-L191 WeakPolarHBondContact O-CG 3.44Å; R189-L191 PolarHBondContact O-N 3.42Å; R189-L191 VanDerWaalsContact O-N 3.08Å
192R65.9Low79.4Confident53 Ų5382.5 Ų82.520%0.239%0.39CS..SBendtrans-130.2156.2-173.5-60.9-165.8-160.5169.89.2115.5E196 R197 V376 G377 M378R192-E196 HydrophobicContact CB-CB 4.4Å; R192-R197 HydrophobicContact CB-CG 3.84Å; R192-R197 PolarHBondContact O-NE 3.06Å; R192-V376 PolarHBondContact NH1-O 3.01Å; R192-V376 PolarHBondContact NH2-O 3.25Å; R192-G377 PolarHBondContact NE-O 2.72Å; R192-G377 PolarHBondContact NH2-O 3.41Å; R192-M378 VanDerWaalsContact NH2-N 3.15Å
193A67.4Low79.4Confident62 Ų6286 Ų8651%0.51240%0.403SS..  trans-59.7152170.700000111.4V195 E196 R197A193-V195 PolarHBondContact O-N 3.02Å; A193-E196 PolarHBondContact O-N 2.99Å; A193-R197 WeakPolarHBondContact O-CG 3.47Å; A193-R197 PolarHBondContact O-N 3.1Å
194Q73Confident79.5Confident117 Ų11782.2 Ų82.255%0.54739%0.385SS..Hα-helixtrans-57.9-44.4-172-175.866.916.600113.2E196 R197 E198Q194-E196 PolarHBondContact O-N 3.06Å; Q194-R197 WeakPolarHBondContact O-CB 3.38Å; Q194-R197 PolarHBondContact O-N 3.39Å; Q194-E198 PolarHBondContact O-N 2.83Å
195V74.3Confident79.8Confident116 Ų11678.9 Ų78.970%0.70337%0.37SS*.Hα-helixtrans-63.7-42.5-1791780000111.4A193 R197 E198 A199A193-V195 PolarHBondContact O-N 3.02Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.31Å; V195-E198 PolarHBondContact O-N 3.17Å; V195-A199 PolarHBondContact O-N 3.4Å
196E80.1Confident80.1Confident113 Ų11376.3 Ų76.353%0.52836%0.356SS..Hα-helixtrans-67.1-32.5176.4-63.6-178.4161.300112R192 A193 Q194 S200R192-E196 HydrophobicContact CB-CB 4.4Å; A193-E196 PolarHBondContact O-N 2.99Å; Q194-E196 PolarHBondContact O-N 3.06Å; E196-S200 WeakPolarHBondContact O-CB 3.43Å; E196-S200 PolarHBondContact O-N 3.43Å
197R81.5Confident80.6Confident89 Ų8975.1 Ų75.134%0.33635%0.351SS..Hα-helixtrans-65.7-47.1173.8-76.5-170.5-87.1140.70.6111.5R192 A193 Q194 V195 S200 A201R192-R197 HydrophobicContact CB-CG 3.84Å; R192-R197 PolarHBondContact O-NE 3.06Å; A193-R197 WeakPolarHBondContact O-CG 3.47Å; A193-R197 PolarHBondContact O-N 3.1Å; Q194-R197 WeakPolarHBondContact O-CB 3.38Å; Q194-R197 PolarHBondContact O-N 3.39Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.31Å; R197-S200 PolarHBondContact O-N 3.39Å; R197-A201 WeakPolarHBondContact O-CB 3.48Å; R197-A201 PolarHBondContact O-N 2.87Å
198E84.7Confident81.3Confident83 Ų8369.2 Ų69.239%0.38832%0.323SS..Hα-helixtrans-62.2-49.4178.8-169.8-169.3158.800111.2K83 Q194 V195 S200 A201 I202K83-E198 IonicContact NZ-OE1 2.64Å; K83-E198 PolarHBondContact NZ-OE1 2.9Å; Q194-E198 PolarHBondContact O-N 2.83Å; V195-E198 PolarHBondContact O-N 3.17Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.84Å; E198-A201 PolarHBondContact O-N 3.48Å; E198-I202 HydrophobicContact CG-CD1 4.15Å; E198-I202 WeakPolarHBondContact O-CG1 3.4Å; E198-I202 PolarHBondContact O-N 3.06Å
199A85.8Confident82.4Confident37 Ų3760.6 Ų60.631%0.30629%0.291SS..Hα-helixtrans-59.6-42.6176.400000112V195 I202 R203V195-A199 PolarHBondContact O-N 3.4Å; A199-I202 PolarHBondContact O-N 3.48Å; A199-R203 VanDerWaalsContact O-CG 3.32Å; A199-R203 WeakPolarHBondContact O-CG 3.45Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 VanDerWaalsContact O-N 3.12Å
200S88.1Confident83.6Confident4 Ų455.5 Ų55.53%0.02827%0.271CS..Hα-helixtrans-62.9-42.9175.4-174.90000112E196 R197 E198 I202 R203 L204 V375E196-S200 WeakPolarHBondContact O-CB 3.43Å; E196-S200 PolarHBondContact O-N 3.43Å; R197-S200 PolarHBondContact O-N 3.39Å; E198-S200 VanDerWaalsContact C-N 3.32Å; E198-S200 PolarHBondContact O-N 2.84Å; S200-I202 PolarHBondContact O-N 3.1Å; S200-R203 PolarHBondContact O-N 3.39Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 VanDerWaalsContact O-CG 3.3Å; S200-L204 WeakPolarHBondContact O-CG 3.05Å; S200-L204 PolarHBondContact O-N 3.33Å; S200-V375 WeakPolarHBondContact OG-CG1 2.88Å
201A90Very high85.4Confident3 Ų344.9 Ų44.93%0.02523%0.231CC..Hα-helixtrans-62.5-42.2178.300000111.7L179 V182 E183 R197 E198 L204 C205L179-A201 HydrophobicContact CD1-CB 4.35Å; V182-A201 HydrophobicContact CG1-CB 4.27Å; E183-A201 HydrophobicContact CG-CB 4.02Å; R197-A201 WeakPolarHBondContact O-CB 3.48Å; R197-A201 PolarHBondContact O-N 2.87Å; E198-A201 PolarHBondContact O-N 3.48Å; A201-L204 PolarHBondContact O-N 3.2Å; A201-C205 WeakPolarHBondContact O-CB 3.38Å; A201-C205 PolarHBondContact O-N 3.41Å
202I90.2Very high87.1Confident24 Ų2437.1 Ų37.112%0.12319%0.191CC..Hα-helixtrans-61.7-48.1176-68.8160.4000110.9K83 I84 E198 A199 S200 C205 A206K83-I202 HydrophobicContact CB-CD1 3.84Å; K83-I202 HydrophobicContact CB-CG1 4.47Å; K83-I202 HydrophobicContact CB-CG2 4.15Å; K83-I202 HydrophobicContact CD-CD1 3.49Å; K83-I202 VanDerWaalsContact CD-CD1 3.49Å; K83-I202 HydrophobicContact CG-CD1 4.31Å; I84-I202 HydrophobicContact CG1-CG2 3.98Å; E198-I202 HydrophobicContact CG-CD1 4.15Å; E198-I202 WeakPolarHBondContact O-CG1 3.4Å; E198-I202 PolarHBondContact O-N 3.06Å; A199-I202 PolarHBondContact O-N 3.48Å; S200-I202 PolarHBondContact O-N 3.1Å; I202-C205 PolarHBondContact O-N 3.23Å; I202-A206 PolarHBondContact O-N 3.1Å
203R91.3Very high88.6Confident74 Ų7434.6 Ų34.628%0.27918%0.181SC..Hα-helixtrans-64.4-41178.9-66.6180-171.3170.79.5112.2A199 S200 A206 C207 Q373 E374 V375A199-R203 VanDerWaalsContact O-CG 3.32Å; A199-R203 WeakPolarHBondContact O-CG 3.45Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 VanDerWaalsContact O-N 3.12Å; S200-R203 PolarHBondContact O-N 3.39Å; R203-A206 PolarHBondContact O-N 2.58Å; R203-C207 PolarHBondContact O-N 2.77Å; R203-Q373 HydrophobicContact CG-CB 3.94Å; R203-E374 VanDerWaalsContact CD-O 3.28Å; R203-E374 WeakPolarHBondContact CD-O 3.48Å; R203-E374 PolarHBondContact NH1-O 3.44Å; R203-V375 HydrophobicContact CB-CG2 3.73Å
204L93.2Very high89.9Confident1 Ų132.4 Ų32.41%0.00516%0.161CC..Hα-helixtrans-67.1-38.7175.3-75.1174.9000111.9V182 Q186 S200 A201 C207 V208 M243 V375 M378V182-L204 HydrophobicContact CG1-CB 3.63Å; V182-L204 HydrophobicContact CG1-CD1 4.34Å; Q186-L204 HydrophobicContact CG-CD1 4.08Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 VanDerWaalsContact O-CG 3.3Å; S200-L204 WeakPolarHBondContact O-CG 3.05Å; S200-L204 PolarHBondContact O-N 3.33Å; A201-L204 PolarHBondContact O-N 3.2Å; L204-C207 WeakPolarHBondContact O-CB 3.41Å; L204-C207 PolarHBondContact O-N 3Å; L204-V208 VanDerWaalsContact O-CB 3.31Å; L204-V208 WeakPolarHBondContact O-CB 3.44Å; L204-V208 WeakPolarHBondContact O-CG2 3.24Å; L204-V208 PolarHBondContact O-N 2.85Å; L204-M243 HydrophobicContact CD2-CB 3.96Å; L204-M243 HydrophobicContact CD2-CG 4.22Å; L204-V375 HydrophobicContact CD2-CG2 3.98Å; L204-V375 HydrophobicContact CG-CG2 4.02Å; L204-M378 HydrophobicContact CD1-SD 4.13Å; L204-M378 HydrophobicContact CD2-CE 3.83Å; L204-M378 HydrophobicContact CD2-SD 3.95Å
205C94.3Very high91.1Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-62.7-46.5175.1-174.10000111.1I84 L179 V182 A201 I202 C207 V208 I209I84-C205 HydrophobicContact CD1-CB 4.3Å; L179-C205 HydrophobicContact CD1-CB 3.89Å; V182-C205 HydrophobicContact CG2-CB 4.46Å; A201-C205 WeakPolarHBondContact O-CB 3.38Å; A201-C205 PolarHBondContact O-N 3.41Å; I202-C205 PolarHBondContact O-N 3.23Å; C205-C207 VanDerWaalsContact C-N 3.28Å; C205-C207 PolarHBondContact O-N 3.36Å; C205-V208 WeakPolarHBondContact O-CB 3.37Å; C205-V208 PolarHBondContact O-N 3.46Å; C205-V208 VanDerWaalsContact O-N 3.16Å; C205-I209 WeakPolarHBondContact O-CG1 3.4Å; C205-I209 PolarHBondContact O-N 2.79Å
206A93.6Very high92.1Very high2 Ų222.5 Ų22.52%0.01711%0.108CC..Hα-helixtrans-55.3-4417300000111.8I84 W88 I202 R203 T210 L372I84-A206 HydrophobicContact CG2-CB 4.41Å; W88-A206 HydrophobicContact CZ2-CB 4.29Å; I202-A206 PolarHBondContact O-N 3.1Å; R203-A206 PolarHBondContact O-N 2.58Å; A206-T210 VanDerWaalsContact O-CB 3.3Å; A206-T210 WeakPolarHBondContact O-CB 3.39Å; A206-T210 PolarHBondContact O-N 3.46Å; A206-T210 PolarHBondContact O-OG1 3.15Å; A206-L372 HydrophobicContact CB-CD2 4.34Å
207C95Very high92.7Very high0 Ų025 Ų250%011%0.113CC..Hα-helixtrans-64.6-45.9175.2-175.90000112.6R203 L204 C205 I209 T210 F211 G239 M243 L372R203-C207 PolarHBondContact O-N 2.77Å; L204-C207 WeakPolarHBondContact O-CB 3.41Å; L204-C207 PolarHBondContact O-N 3Å; C205-C207 VanDerWaalsContact C-N 3.28Å; C205-C207 PolarHBondContact O-N 3.36Å; C207-I209 PolarHBondContact O-N 2.95Å; C207-T210 PolarHBondContact O-N 2.97Å; C207-F211 WeakPolarHBondContact O-CB 3.38Å; C207-F211 WeakPolarHBondContact O-CD2 3.14Å; C207-F211 PolarHBondContact O-N 2.72Å; C207-G239 VanDerWaalsContact SG-C 3.56Å; C207-G239 PolarHBondContact SG-O 3.03Å; C207-G239 VanDerWaalsContact SG-O 3.41Å; C207-M243 HydrophobicContact CB-CE 3.82Å; C207-M243 HydrophobicContact CB-CG 4.12Å; C207-M243 VanDerWaalsContact SG-CG 3.56Å; C207-L372 HydrophobicContact CB-CD2 4.27Å
208V95.7Very high93.3Very high0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-57.4-47179.2148.50000111.5R178 V182 L204 C205 E212 L232 S236 I240R178-V208 HydrophobicContact CB-CG1 4.19Å; R178-V208 HydrophobicContact CG-CG1 4.33Å; V182-V208 HydrophobicContact CG2-CB 4.28Å; V182-V208 HydrophobicContact CG2-CG1 4.46Å; V182-V208 HydrophobicContact CG2-CG2 3.79Å; L204-V208 VanDerWaalsContact O-CB 3.31Å; L204-V208 WeakPolarHBondContact O-CB 3.44Å; L204-V208 WeakPolarHBondContact O-CG2 3.24Å; L204-V208 PolarHBondContact O-N 2.85Å; C205-V208 WeakPolarHBondContact O-CB 3.37Å; C205-V208 PolarHBondContact O-N 3.46Å; C205-V208 VanDerWaalsContact O-N 3.16Å; V208-E212 WeakPolarHBondContact O-CB 3.4Å; V208-E212 PolarHBondContact O-N 3.44Å; V208-L232 HydrophobicContact CG1-CD2 3.59Å; V208-L232 HydrophobicContact CG2-CD1 4.03Å; V208-L232 HydrophobicContact CG2-CD2 4.48Å; V208-S236 PolarHBondContact O-OG 3.16Å; V208-S236 VanDerWaalsContact O-OG 3.11Å; V208-I240 HydrophobicContact CG2-CD1 3.79Å; V208-I240 HydrophobicContact CG2-CG1 3.65Å
209I95.8Very high93.7Very high0 Ų023.1 Ų23.10%010%0.103CC..Hα-helixtrans-66.8-46.9177.9-68.2167.6000109.9L45 L49 W88 Y174 I175 R178 C205 C207 F211 E212 L213L45-I209 HydrophobicContact CD2-CG2 4.07Å; L49-I209 HydrophobicContact CD1-CG2 4.2Å; W88-I209 HydrophobicContact CH2-CB 4.28Å; W88-I209 HydrophobicContact CH2-CD1 4.02Å; W88-I209 HydrophobicContact CH2-CG2 3.82Å; W88-I209 HydrophobicContact CZ2-CB 4.07Å; W88-I209 HydrophobicContact CZ2-CD1 4.35Å; W88-I209 HydrophobicContact CZ2-CG2 3.94Å; Y174-I209 HydrophobicContact CE1-CD1 4.44Å; Y174-I209 HydrophobicContact CE1-CG1 4.11Å; Y174-I209 HydrophobicContact CE1-CG2 3.93Å; I175-I209 HydrophobicContact CB-CD1 4.46Å; I175-I209 HydrophobicContact CG1-CD1 4.13Å; I175-I209 HydrophobicContact CG2-CD1 4.18Å; R178-I209 HydrophobicContact CB-CD1 4.42Å; R178-I209 HydrophobicContact CB-CG1 4.16Å; R178-I209 HydrophobicContact CG-CG1 4.18Å; C205-I209 WeakPolarHBondContact O-CG1 3.4Å; C205-I209 PolarHBondContact O-N 2.79Å; C207-I209 PolarHBondContact O-N 2.95Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.35Å; I209-E212 PolarHBondContact O-N 2.88Å; I209-E212 VanDerWaalsContact O-N 3.16Å; I209-L213 HydrophobicContact CG2-CD1 3.68Å; I209-L213 HydrophobicContact CG2-CG 4.25Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.34Å
210T96Very high94.1Very high0 Ų027.9 Ų27.90%012%0.117CC..Hα-helixtrans-57.6-46.4179.2-60.10000111.6A206 C207 L213 L214 L370 L372A206-T210 VanDerWaalsContact O-CB 3.3Å; A206-T210 WeakPolarHBondContact O-CB 3.39Å; A206-T210 PolarHBondContact O-N 3.46Å; A206-T210 PolarHBondContact O-OG1 3.15Å; C207-T210 PolarHBondContact O-N 2.97Å; T210-L213 PolarHBondContact O-N 3.1Å; T210-L214 HydrophobicContact CG2-CD1 4.13Å; T210-L214 WeakPolarHBondContact O-CA 3.23Å; T210-L214 VanDerWaalsContact O-CB 3.28Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 PolarHBondContact O-N 3.03Å; T210-L370 HydrophobicContact CG2-CD2 4.13Å; T210-L372 HydrophobicContact CG2-CD1 4.22Å; T210-L372 HydrophobicContact CG2-CD2 4.38Å; T210-L372 HydrophobicContact CG2-CG 4.46Å
211F97.5Very high94.3Very high0 Ų030.7 Ų30.70%014%0.135CC..Hα-helixtrans-71-34.3177.2-88-106.7000112.9C207 I209 L213 L215 R235 R238 V242 C318 L321 A322 L372C207-F211 WeakPolarHBondContact O-CB 3.38Å; C207-F211 WeakPolarHBondContact O-CD2 3.14Å; C207-F211 PolarHBondContact O-N 2.72Å; I209-F211 VanDerWaalsContact C-N 3.34Å; I209-F211 PolarHBondContact O-N 3.35Å; F211-L213 VanDerWaalsContact C-N 3.29Å; F211-L213 PolarHBondContact O-N 2.89Å; F211-L215 WeakPolarHBondContact O-CB 3.23Å; F211-L215 PolarHBondContact O-N 3.19Å; F211-R235 WeakPolarHBondContact CB-O 3.27Å; F211-R238 HydrophobicContact CD1-CB 4.36Å; F211-V242 HydrophobicContact CE1-CG2 3.86Å; F211-V242 HydrophobicContact CZ-CB 4.09Å; F211-V242 HydrophobicContact CZ-CG1 4.19Å; F211-V242 HydrophobicContact CZ-CG2 3.77Å; F211-C318 HydrophobicContact CD1-CB 4.04Å; F211-C318 HydrophobicContact CE1-CB 3.93Å; F211-C318 VanDerWaalsContact CE1-O 3.31Å; F211-C318 WeakPolarHBondContact CE1-O 3.37Å; F211-C318 HydrophobicContact CG-CB 4.4Å; F211-C318 HydrophobicContact CZ-CB 4.18Å; F211-L321 HydrophobicContact CZ-CB 4.11Å; F211-L321 HydrophobicContact CZ-CD1 4.24Å; F211-A322 HydrophobicContact CE1-CB 4.33Å; F211-L372 HydrophobicContact CE2-CD1 4.32Å
212E97Very high94.6Very high1 Ų130.7 Ų30.71%0.00514%0.135CC..Hα-helixtrans-61.4-41.9175.7-165.7174.3-177.500111.8Y174 R178 V208 I209 P233 R235 S236Y174-E212 WeakPolarHBondContact CE2-OE2 3.45Å; Y174-E212 PolarHBondContact OH-OE2 3.19Å; R178-E212 IonicContact CZ-OE1 2.87Å; R178-E212 IonicContact CZ-OE2 2.77Å; R178-E212 IonicContact NE-OE1 3.22Å; R178-E212 IonicContact NE-OE2 3.15Å; R178-E212 PolarHBondContact NE-OE2 2.83Å; R178-E212 IonicContact NH2-OE1 3.94Å; R178-E212 PolarHBondContact NH2-OE1 3.15Å; R178-E212 IonicContact NH2-OE2 3.57Å; R178-E212 PolarHBondContact NH2-OE2 3.27Å; V208-E212 WeakPolarHBondContact O-CB 3.4Å; V208-E212 PolarHBondContact O-N 3.44Å; I209-E212 PolarHBondContact O-N 2.88Å; I209-E212 VanDerWaalsContact O-N 3.16Å; E212-P233 HydrophobicContact CG-CG 3.99Å; E212-P233 WeakPolarHBondContact OE1-CG 3.46Å; E212-R235 PolarHBondContact O-NE 2.93Å; E212-R235 PolarHBondContact O-NH2 3.29Å; E212-S236 WeakPolarHBondContact CB-OG 3.39Å
213L95.9Very high94.7Very high0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-91.3-35.6-171.2-60.4-175.4000113.7I42 L45 R46 L49 Y174 I209 T210 F211 I222 V224I42-L213 HydrophobicContact CG2-CD1 4.43Å; I42-L213 HydrophobicContact CG2-CD2 3.77Å; L45-L213 HydrophobicContact CD2-CD1 4.1Å; L45-L213 HydrophobicContact CG-CD1 4.04Å; R46-L213 HydrophobicContact CB-CB 4.2Å; R46-L213 HydrophobicContact CB-CD1 4.26Å; R46-L213 HydrophobicContact CG-CB 4.07Å; R46-L213 PolarHBondContact NE-O 3.39Å; L49-L213 HydrophobicContact CD1-CB 4.48Å; L49-L213 HydrophobicContact CD1-CD1 3.87Å; Y174-L213 HydrophobicContact CE1-CD1 4.42Å; I209-L213 HydrophobicContact CG2-CD1 3.68Å; I209-L213 HydrophobicContact CG2-CG 4.25Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.34Å; T210-L213 PolarHBondContact O-N 3.1Å; F211-L213 VanDerWaalsContact C-N 3.29Å; F211-L213 PolarHBondContact O-N 2.89Å; L213-I222 HydrophobicContact CD2-CD1 3.59Å; L213-V224 HydrophobicContact CD2-CG2 4.48Å
214L96.2Very high94.8Very high17 Ų1730 Ų309%0.08914%0.143CC..Hα-helixtrans-108.4-9.4-174.7-57.8-170.3000114.9R46 L49 L50 T210 L370R46-L214 HydrophobicContact CG-CD2 4.35Å; L49-L214 HydrophobicContact CB-CD1 3.97Å; L49-L214 HydrophobicContact CB-CD2 4.26Å; L49-L214 HydrophobicContact CB-CG 4.25Å; L50-L214 HydrophobicContact CB-CD2 4.02Å; T210-L214 HydrophobicContact CG2-CD1 4.13Å; T210-L214 WeakPolarHBondContact O-CA 3.23Å; T210-L214 VanDerWaalsContact O-CB 3.28Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 PolarHBondContact O-N 3.03Å; L214-L370 HydrophobicContact CD1-CD2 4.26Å
215L96.4Very high94.8Very high11 Ų1132 Ų326%0.05815%0.154CC..SBendtrans-63.9-43.4172.3-176.269.9000111.8F211 R235 R316 C318 L319 A322F211-L215 WeakPolarHBondContact O-CB 3.23Å; F211-L215 PolarHBondContact O-N 3.19Å; L215-R235 HydrophobicContact CD2-CB 3.94Å; L215-R235 HydrophobicContact CD2-CG 4.02Å; L215-R316 PolarHBondContact O-NH2 3.17Å; L215-C318 HydrophobicContact CB-CB 4.17Å; L215-C318 HydrophobicContact CD1-CB 3.91Å; L215-L319 HydrophobicContact CD1-CB 4.21Å; L215-L319 HydrophobicContact CD1-CD1 4.32Å; L215-A322 HydrophobicContact CD1-CB 4.41Å
216P95.3Very high94.5Very high14 Ų1433.1 Ų33.19%0.09116%0.159CC..SBendtrans-68.3149.3170-20.238000110.9A218 I222 R235P216-A218 PolarHBondContact O-N 3.49Å; P216-I222 HydrophobicContact CB-CG2 3.62Å; P216-I222 HydrophobicContact CG-CG2 3.6Å; P216-R235 VanDerWaalsContact CG-CD 3.4Å
217R94Very high94.3Very high166 Ų16636.2 Ų36.263%0.62618%0.176SC*.  trans-50.5138.9172.3-68.9-177176.6173.3-1.5110.5R46 R219 K220 E314 R316R46-R217 PolarHBondContact NH2-O 2.97Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.11Å; R217-K220 HydrophobicContact CB-CB 4.24Å; R217-K220 VanDerWaalsContact O-CB 3.32Å; R217-K220 WeakPolarHBondContact O-CB 3.08Å; R217-K220 PolarHBondContact O-N 2.9Å; R217-E314 WeakPolarHBondContact CA-OE2 3.39Å; R217-R316 VanDerWaalsContact CG-NH1 3.32Å
218A93.1Very high93.8Very high4 Ų438.8 Ų38.83%0.03319%0.192CC..THydrogen-bonded Turntrans-44.8-5318000000111.6R46 L50 V158 G159 P216 K220 E314R46-A218 PolarHBondContact NH2-O 3.06Å; L50-A218 HydrophobicContact CD2-CB 3.52Å; V158-A218 CarbonylContact C-O 3.6Å; G159-A218 PolarHBondContact N-O 3.21Å; P216-A218 PolarHBondContact O-N 3.49Å; A218-K220 VanDerWaalsContact C-N 3.26Å; A218-K220 PolarHBondContact O-N 3.49Å; A218-E314 HydrophobicContact CB-CG 4.23Å; A218-E314 WeakPolarHBondContact CB-OE1 3.27Å; A218-E314 WeakPolarHBondContact CB-OE2 3.16Å; A218-E314 PolarHBondContact N-OE1 2.96Å; A218-E314 PolarHBondContact N-OE2 3.36Å
219R93Very high93.4Very high128 Ų12844 Ų4448%0.48323%0.229SC..THydrogen-bonded Turntrans-69.2-16.3-178.7-54.4-162.1174.7177.1-4.3114.9V157 R217 P221V157-R219 HydrophobicContact CG1-CB 4.35Å; V157-R219 HydrophobicContact CG1-CG 3.59Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.11Å; R219-P221 WeakPolarHBondContact O-CD 3.36Å
220K94.1Very high93.1Very high137 Ų13750.4 Ų50.460%0.59625%0.254SS*.SBendtrans-78.8124.3-177.3-176.1176.3177.2173.30109.2R46 R217 A218R46-K220 PolarHBondContact NH1-O 3.46Å; R46-K220 PolarHBondContact NH2-O 3.28Å; R46-K220 VanDerWaalsContact NH2-O 3.1Å; R217-K220 HydrophobicContact CB-CB 4.24Å; R217-K220 VanDerWaalsContact O-CB 3.32Å; R217-K220 WeakPolarHBondContact O-CB 3.08Å; R217-K220 PolarHBondContact O-N 2.9Å; A218-K220 VanDerWaalsContact C-N 3.26Å; A218-K220 PolarHBondContact O-N 3.49Å
221P93.9Very high92.8Very high63 Ų6355.5 Ų55.541%0.40928%0.282SS..  trans-60.3148.9170.3-23.134.4000111.7N160 R219N160-P221 CarbonylContact O-C 3.47Å; N160-P221 WeakPolarHBondContact O-CA 3.29Å; N160-P221 WeakPolarHBondContact O-CB 3.5Å; R219-P221 WeakPolarHBondContact O-CD 3.36Å
222I95Very high92.5Very high3 Ų355.8 Ų55.82%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-131.8147.3-178.665.9171.9000110.7N160 V161 Q162 L213 P216N160-I222 PolarHBondContact O-N 3.08Å; V161-I222 CarbonylContact C-O 3.28Å; V161-I222 VanDerWaalsContact CA-O 3.31Å; V161-I222 WeakPolarHBondContact CA-O 3.24Å; V161-I222 HydrophobicContact CB-CG1 4.25Å; V161-I222 HydrophobicContact CG1-CG1 4.16Å; V161-I222 HydrophobicContact CG2-CD1 3.92Å; V161-I222 HydrophobicContact CG2-CG1 3.72Å; Q162-I222 PolarHBondContact N-O 2.78Å; L213-I222 HydrophobicContact CD2-CD1 3.59Å; P216-I222 HydrophobicContact CB-CG2 3.62Å; P216-I222 HydrophobicContact CG-CG2 3.6Å
223S93.6Very high92.4Very high78 Ų7857.5 Ų57.555%0.54529%0.294SS..EExtended strand (participates in β ladder)trans-99.7142.7170.9-44.20000110.3Q162 R235Q162-S223 CarbonylContact O-C 3.6Å; Q162-S223 VanDerWaalsContact O-CA 3.28Å; Q162-S223 WeakPolarHBondContact O-CA 3.4Å; S223-R235 PolarHBondContact O-NH2 2.98Å
224V93.2Very high92.3Very high4 Ų463.1 Ų63.12%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-127132.4177.7169.30000108.8I42 V161 Q162 V163 N164 Y174 L213 L226I42-V224 HydrophobicContact CD1-CB 4.44Å; I42-V224 HydrophobicContact CD1-CG1 4.03Å; I42-V224 HydrophobicContact CG2-CG2 4.48Å; V161-V224 HydrophobicContact CG1-CB 4Å; V161-V224 HydrophobicContact CG1-CG2 3.52Å; Q162-V224 PolarHBondContact O-N 3.43Å; V163-V224 WeakPolarHBondContact CA-O 3.21Å; V163-V224 HydrophobicContact CG2-CB 4.32Å; N164-V224 PolarHBondContact N-O 3.4Å; Y174-V224 HydrophobicContact CD2-CG1 3.71Å; Y174-V224 HydrophobicContact CE2-CG1 3.55Å; L213-V224 HydrophobicContact CD2-CG2 4.48Å; V224-L226 HydrophobicContact CG1-CD2 4.08Å
225N91.4Very high92.2Very high44 Ų4465.5 Ų65.524%0.23533%0.332CS..  trans-99.3123.9174.1-172.4-24.6000109.7N164 R178 N227 Y230N164-N225 PolarHBondContact ND2-ND2 3.04Å; N164-N225 PolarHBondContact ND2-OD1 3.45Å; N164-N225 WeakPolarHBondContact OD1-CA 3.41Å; R178-N225 PolarHBondContact NH1-O 2.9Å; R178-N225 VanDerWaalsContact NH1-O 3.15Å; R178-N225 PolarHBondContact NH2-O 3.07Å; N225-N227 WeakPolarHBondContact OD1-CB 3.39Å; N225-N227 PolarHBondContact OD1-N 2.98Å; N225-Y230 WeakPolarHBondContact ND2-CD2 3.48Å; N225-Y230 WeakPolarHBondContact ND2-CE2 3.48Å; N225-Y230 VanDerWaalsContact ND2-CG 3.32Å
226L89.8Confident92.2Very high23 Ų2365 Ų6512%0.1233%0.329CS..  trans-96.3-6.2178.9-67-173.2000114.6I42 V163 N164 F169 Y174 V224 P228I42-L226 HydrophobicContact CD1-CD2 4.34Å; V163-L226 HydrophobicContact CG1-CB 4.4Å; V163-L226 HydrophobicContact CG1-CD1 3.49Å; V163-L226 VanDerWaalsContact CG1-CD1 3.49Å; V163-L226 HydrophobicContact CG1-CG 3.57Å; N164-L226 PolarHBondContact OD1-N 3.25Å; F169-L226 HydrophobicContact CB-CD1 4.48Å; F169-L226 HydrophobicContact CD1-CD1 3.52Å; F169-L226 HydrophobicContact CD2-CD1 3.47Å; F169-L226 VanDerWaalsContact CD2-CD1 3.47Å; F169-L226 HydrophobicContact CE1-CD1 3.54Å; F169-L226 HydrophobicContact CE2-CD1 3.52Å; F169-L226 HydrophobicContact CG-CD1 3.52Å; F169-L226 HydrophobicContact CZ-CD1 3.57Å; Y174-L226 HydrophobicContact CD2-CD2 3.65Å; Y174-L226 HydrophobicContact CG-CD2 4.16Å; V224-L226 HydrophobicContact CG1-CD2 4.08Å; L226-P228 VanDerWaalsContact O-CD 3.29Å; L226-P228 WeakPolarHBondContact O-CD 3.47Å
227N88.9Confident92.1Very high67 Ų6768.2 Ų68.236%0.35834%0.342SS..  trans-72.7116.4178.5176.2-20000109.1N225 S229 Y230N225-N227 WeakPolarHBondContact OD1-CB 3.39Å; N225-N227 PolarHBondContact OD1-N 2.98Å; N227-S229 PolarHBondContact O-N 2.98Å; N227-S229 VanDerWaalsContact OD1-CB 3.23Å; N227-S229 WeakPolarHBondContact OD1-CB 3.36Å; N227-S229 PolarHBondContact OD1-N 3.06Å; N227-S229 PolarHBondContact OD1-OG 3.25Å; N227-Y230 HydrophobicContact CB-CD2 3.61Å; N227-Y230 HydrophobicContact CB-CE2 3.87Å; N227-Y230 PolarHBondContact O-N 3.44Å; N227-Y230 VanDerWaalsContact O-N 3.16Å
228P85.1Confident92.3Very high54 Ų5466.2 Ų66.235%0.35133%0.334SS..THydrogen-bonded Turntrans-68-16-174.729-36.2000113.4T177 L226 Y230T177-P228 HydrophobicContact CG2-CB 4.17Å; L226-P228 VanDerWaalsContact O-CD 3.29Å; L226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-Y230 VanDerWaalsContact C-N 3.25Å; P228-Y230 PolarHBondContact O-N 3.02Å
229S86.6Confident92.4Very high111 Ų11166 Ų6678%0.77633%0.333SS*.THydrogen-bonded Turntrans-73.3-15.7175.7-55.10000113.3N227N227-S229 PolarHBondContact O-N 2.98Å; N227-S229 VanDerWaalsContact OD1-CB 3.23Å; N227-S229 WeakPolarHBondContact OD1-CB 3.36Å; N227-S229 PolarHBondContact OD1-N 3.06Å; N227-S229 PolarHBondContact OD1-OG 3.25Å
230Y88.9Confident92.5Very high134 Ų13460.8 Ų60.853%0.52531%0.314SS..SBendtrans-80150.9172.2-73.2-92.2000110.7Q181 N225 N227 P228Q181-Y230 PolarHBondContact NE2-O 2.77Å; N225-Y230 WeakPolarHBondContact ND2-CD2 3.48Å; N225-Y230 WeakPolarHBondContact ND2-CE2 3.48Å; N225-Y230 VanDerWaalsContact ND2-CG 3.32Å; N227-Y230 HydrophobicContact CB-CD2 3.61Å; N227-Y230 HydrophobicContact CB-CE2 3.87Å; N227-Y230 PolarHBondContact O-N 3.44Å; N227-Y230 VanDerWaalsContact O-N 3.16Å; P228-Y230 VanDerWaalsContact C-N 3.25Å; P228-Y230 PolarHBondContact O-N 3.02Å
231D89.4Confident92.5Very high107 Ų10757.7 Ų57.757%0.57230%0.301SS*.PPolyproline II helixtrans-63.5162.9168.5-88.2-6.3000112K237D231-K237 IonicContact OD2-NZ 3.7Å; D231-K237 PolarHBondContact OD2-NZ 2.87Å
232L92.7Very high92.7Very high6 Ų654.7 Ų54.73%0.03128%0.281CS..PPolyproline II helixtrans-53.4138165.9-79.3171.9000111.1Q181 V182 L185 V208 K237 I240Q181-L232 HydrophobicContact CB-CD2 4.01Å; Q181-L232 HydrophobicContact CB-CG 3.91Å; V182-L232 HydrophobicContact CG2-CD1 4.16Å; L185-L232 HydrophobicContact CD1-CD1 3.56Å; V208-L232 HydrophobicContact CG1-CD2 3.59Å; V208-L232 HydrophobicContact CG2-CD1 4.03Å; V208-L232 HydrophobicContact CG2-CD2 4.48Å; L232-K237 HydrophobicContact CB-CG 4.16Å; L232-K237 WeakPolarHBondContact O-CE 3.43Å; L232-K237 PolarHBondContact O-NZ 3.4Å; L232-I240 HydrophobicContact CD1-CD1 3.57Å
233P93.2Very high92.7Very high37 Ų3754.5 Ų54.524%0.2428%0.281CS..PPolyproline II helixtrans-64.9154.1177.726.2-31.6000110.9E212 R235 S236 K237E212-P233 HydrophobicContact CG-CG 3.99Å; E212-P233 WeakPolarHBondContact OE1-CG 3.46Å; P233-R235 PolarHBondContact O-N 2.9Å; P233-S236 WeakPolarHBondContact CG-OG 3.41Å; P233-S236 WeakPolarHBondContact O-CA 3.28Å; P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3.44Å; P233-K237 PolarHBondContact O-N 3.33Å
234D94Very high92.7Very high118 Ų11854 Ų5463%0.63127%0.267SS*.Hα-helixtrans-55.1-33.1-176.4-71.3-16.1000113.5K237 R238D234-K237 PolarHBondContact O-N 2.8Å; D234-R238 WeakPolarHBondContact O-CG 3.4Å; D234-R238 PolarHBondContact O-N 2.83Å; D234-R238 VanDerWaalsContact O-N 3.1Å
235R94.9Very high92.8Very high66 Ų6653.9 Ų53.925%0.24927%0.266CS..Hα-helixtrans-62.1-44.4175.4-58.3-161.7-66.3-106.6-7.4111.5F211 E212 L215 P216 S223 P233 R238 G239F211-R235 WeakPolarHBondContact CB-O 3.27Å; E212-R235 PolarHBondContact O-NE 2.93Å; E212-R235 PolarHBondContact O-NH2 3.29Å; L215-R235 HydrophobicContact CD2-CB 3.94Å; L215-R235 HydrophobicContact CD2-CG 4.02Å; P216-R235 VanDerWaalsContact CG-CD 3.4Å; S223-R235 PolarHBondContact O-NH2 2.98Å; P233-R235 PolarHBondContact O-N 2.9Å; R235-R238 WeakPolarHBondContact O-CB 3.45Å; R235-R238 PolarHBondContact O-N 3.01Å; R235-G239 PolarHBondContact O-N 2.78Å
236S95.4Very high93.1Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-67.9-40176.2-61.10000112.5V208 E212 P233 R238 G239 I240V208-S236 PolarHBondContact O-OG 3.16Å; V208-S236 VanDerWaalsContact O-OG 3.11Å; E212-S236 WeakPolarHBondContact CB-OG 3.39Å; P233-S236 WeakPolarHBondContact CG-OG 3.41Å; P233-S236 WeakPolarHBondContact O-CA 3.28Å; P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3.44Å; S236-R238 PolarHBondContact O-N 3Å; S236-G239 WeakPolarHBondContact O-CA 3.49Å; S236-G239 PolarHBondContact O-N 2.94Å; S236-I240 PolarHBondContact O-N 2.78Å
237K94.9Very high93.3Very high82 Ų8251.1 Ų51.136%0.35725%0.252SS..Hα-helixtrans-57.8-34.9174.7-70.6173.7171.3166.10111.7D231 L232 P233 D234 I240 F241D231-K237 IonicContact OD2-NZ 3.7Å; D231-K237 PolarHBondContact OD2-NZ 2.87Å; L232-K237 HydrophobicContact CB-CG 4.16Å; L232-K237 WeakPolarHBondContact O-CE 3.43Å; L232-K237 PolarHBondContact O-NZ 3.4Å; P233-K237 PolarHBondContact O-N 3.33Å; D234-K237 PolarHBondContact O-N 2.8Å; K237-I240 PolarHBondContact O-N 2.85Å; K237-F241 WeakPolarHBondContact O-CB 3.24Å; K237-F241 PolarHBondContact O-N 3.31Å
238R96.5Very high93.6Very high124 Ų12450 Ų5047%0.46824%0.243SC..Hα-helixtrans-63.6-37.7172.5-69171.4-179.4-1372.2112.8F211 D234 R235 S236 F241 V242 A322F211-R238 HydrophobicContact CD1-CB 4.36Å; D234-R238 WeakPolarHBondContact O-CG 3.4Å; D234-R238 PolarHBondContact O-N 2.83Å; D234-R238 VanDerWaalsContact O-N 3.1Å; R235-R238 WeakPolarHBondContact O-CB 3.45Å; R235-R238 PolarHBondContact O-N 3.01Å; S236-R238 PolarHBondContact O-N 3Å; R238-F241 WeakPolarHBondContact O-CB 3.3Å; R238-F241 PolarHBondContact O-N 3.15Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.41Å; R238-V242 PolarHBondContact O-N 3.28Å; R238-A322 HydrophobicContact CB-CB 4.41Å
239G96.2Very high94.1Very high0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-62.4-46174.600000112.4C207 R235 S236 F241 V242 M243C207-G239 VanDerWaalsContact SG-C 3.56Å; C207-G239 PolarHBondContact SG-O 3.03Å; C207-G239 VanDerWaalsContact SG-O 3.41Å; R235-G239 PolarHBondContact O-N 2.78Å; S236-G239 WeakPolarHBondContact O-CA 3.49Å; S236-G239 PolarHBondContact O-N 2.94Å; G239-F241 VanDerWaalsContact C-N 3.29Å; G239-F241 PolarHBondContact O-N 2.98Å; G239-V242 WeakPolarHBondContact O-CB 3.43Å; G239-V242 PolarHBondContact O-N 3.01Å; G239-M243 PolarHBondContact O-N 2.94Å
240I94.6Very high94.5Very high18 Ų1843 Ų439%0.09219%0.193CC..Hα-helixtrans-59.4-43.2173.8-63.2176.9000110.7L185 V208 L232 S236 K237 V242 M243 Y244L185-I240 HydrophobicContact CD1-CD1 3.74Å; V208-I240 HydrophobicContact CG2-CD1 3.79Å; V208-I240 HydrophobicContact CG2-CG1 3.65Å; L232-I240 HydrophobicContact CD1-CD1 3.57Å; S236-I240 PolarHBondContact O-N 2.78Å; K237-I240 PolarHBondContact O-N 2.85Å; I240-V242 VanDerWaalsContact C-N 3.32Å; I240-V242 PolarHBondContact O-N 3.35Å; I240-M243 PolarHBondContact O-N 3.48Å; I240-Y244 WeakPolarHBondContact O-CB 3.5Å; I240-Y244 PolarHBondContact O-N 2.91Å
241F95.4Very high94.7Very high72 Ų7239.9 Ų39.932%0.31619%0.191SC..Hα-helixtrans-63.7-36178.5-179.2-114.5000113.2K237 R238 G239 Y244 N245 S329K237-F241 WeakPolarHBondContact O-CB 3.24Å; K237-F241 PolarHBondContact O-N 3.31Å; R238-F241 WeakPolarHBondContact O-CB 3.3Å; R238-F241 PolarHBondContact O-N 3.15Å; G239-F241 VanDerWaalsContact C-N 3.29Å; G239-F241 PolarHBondContact O-N 2.98Å; F241-Y244 PolarHBondContact O-N 3.36Å; F241-N245 WeakPolarHBondContact CE1-ND2 3.43Å; F241-N245 VanDerWaalsContact CE2-ND2 3.35Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.38Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.31Å; F241-N245 PolarHBondContact O-N 2.92Å; F241-N245 PolarHBondContact O-ND2 2.89Å; F241-S329 WeakPolarHBondContact CE2-OG 3.5Å; F241-S329 WeakPolarHBondContact CZ-OG 3.48Å
242V97.1Very high95Very high0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-63.1-51.1172.11670000110.5F211 R238 G239 I240 Y244 N245 Y246 L321 S325 M363 F367F211-V242 HydrophobicContact CE1-CG2 3.86Å; F211-V242 HydrophobicContact CZ-CB 4.09Å; F211-V242 HydrophobicContact CZ-CG1 4.19Å; F211-V242 HydrophobicContact CZ-CG2 3.77Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.41Å; R238-V242 PolarHBondContact O-N 3.28Å; G239-V242 WeakPolarHBondContact O-CB 3.43Å; G239-V242 PolarHBondContact O-N 3.01Å; I240-V242 VanDerWaalsContact C-N 3.32Å; I240-V242 PolarHBondContact O-N 3.35Å; V242-Y244 VanDerWaalsContact C-N 3.25Å; V242-Y244 PolarHBondContact O-N 2.87Å; V242-N245 PolarHBondContact O-N 3.29Å; V242-Y246 PolarHBondContact O-N 3.25Å; V242-L321 HydrophobicContact CG1-CB 3.94Å; V242-L321 HydrophobicContact CG1-CD1 4.38Å; V242-L321 HydrophobicContact CG1-CD2 4.19Å; V242-L321 HydrophobicContact CG1-CG 4.41Å; V242-L321 HydrophobicContact CG2-CB 4Å; V242-S325 WeakPolarHBondContact CG2-OG 3.37Å; V242-M363 HydrophobicContact CG1-CE 3.93Å; V242-F367 HydrophobicContact CG1-CE1 3.74Å; V242-F367 HydrophobicContact CG1-CZ 3.95Å
243M95.2Very high95.1Very high0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-61.2-36.5179-71.6-66.9-172.900111.5L204 C207 G239 I240 Y246 A247 F367 L372 Q373 V375 M378L204-M243 HydrophobicContact CD2-CB 3.96Å; L204-M243 HydrophobicContact CD2-CG 4.22Å; C207-M243 HydrophobicContact CB-CE 3.82Å; C207-M243 HydrophobicContact CB-CG 4.12Å; C207-M243 VanDerWaalsContact SG-CG 3.56Å; G239-M243 PolarHBondContact O-N 2.94Å; I240-M243 PolarHBondContact O-N 3.48Å; M243-Y246 WeakPolarHBondContact O-CB 3.41Å; M243-Y246 PolarHBondContact O-N 3.37Å; M243-A247 WeakPolarHBondContact O-CB 3.39Å; M243-A247 PolarHBondContact O-N 3.34Å; M243-F367 HydrophobicContact CE-CE1 4.35Å; M243-F367 HydrophobicContact CE-CE2 4.38Å; M243-F367 HydrophobicContact CE-CZ 4.27Å; M243-F367 HydrophobicContact SD-CE1 4.39Å; M243-F367 HydrophobicContact SD-CE2 3.88Å; M243-F367 HydrophobicContact SD-CZ 3.78Å; M243-L372 HydrophobicContact CE-CB 4.03Å; M243-L372 HydrophobicContact CE-CD1 4.14Å; M243-Q373 WeakPolarHBondContact CE-O 3.28Å; M243-V375 HydrophobicContact SD-CG2 4.32Å; M243-M378 HydrophobicContact CB-CE 3.32Å; M243-M378 VanDerWaalsContact O-CE 3.32Å; M243-M378 WeakPolarHBondContact O-CE 3.15Å
244Y93.9Very high95.1Very high68 Ų6839.8 Ų39.827%0.26718%0.179SC..Hα-helixtrans-66.6-44.6177.1175.1-106.4000112.1I240 F241 V242 Y246 A247 R248 M378I240-Y244 WeakPolarHBondContact O-CB 3.5Å; I240-Y244 PolarHBondContact O-N 2.91Å; F241-Y244 PolarHBondContact O-N 3.36Å; V242-Y244 VanDerWaalsContact C-N 3.25Å; V242-Y244 PolarHBondContact O-N 2.87Å; Y244-Y246 VanDerWaalsContact C-N 3.33Å; Y244-A247 PolarHBondContact O-N 3.48Å; Y244-R248 VanDerWaalsContact CZ-NH2 3.34Å; Y244-R248 WeakPolarHBondContact O-CB 3.45Å; Y244-R248 PolarHBondContact O-N 2.82Å; Y244-R248 PolarHBondContact OH-NH2 2.62Å; Y244-M378 HydrophobicContact CD2-CB 4.43Å
245N95.7Very high95Very high0 Ų040.4 Ų40.40%017%0.172CC..Hα-helixtrans-65.7-37.6175.8-80.5-55.5000112.1F241 V242 R248 I249 S325 F328 S329F241-N245 WeakPolarHBondContact CE1-ND2 3.43Å; F241-N245 VanDerWaalsContact CE2-ND2 3.35Å; F241-N245 WeakPolarHBondContact CE2-ND2 3.38Å; F241-N245 WeakPolarHBondContact CZ-ND2 3.31Å; F241-N245 PolarHBondContact O-N 2.92Å; F241-N245 PolarHBondContact O-ND2 2.89Å; V242-N245 PolarHBondContact O-N 3.29Å; N245-R248 PolarHBondContact O-N 3.49Å; N245-I249 VanDerWaalsContact O-CG1 3.31Å; N245-I249 WeakPolarHBondContact O-CG1 3.42Å; N245-I249 PolarHBondContact O-N 3.4Å; N245-S325 PolarHBondContact ND2-O 3.24Å; N245-F328 HydrophobicContact CB-CD1 4.05Å; N245-F328 HydrophobicContact CB-CE1 4.42Å; N245-F328 WeakPolarHBondContact OD1-CD1 3.08Å; N245-S329 PolarHBondContact ND2-OG 3.39Å; N245-S329 VanDerWaalsContact ND2-OG 3.16Å; N245-S329 PolarHBondContact OD1-OG 3.24Å
246Y96.9Very high95Very high7 Ų737.6 Ų37.63%0.02716%0.162CC..Hα-helixtrans-57.4-53.1170.2172.1-92.2000111.3V242 M243 Y244 R248 I249 D250 N360 M363 L364 F367 E374V242-Y246 PolarHBondContact O-N 3.25Å; M243-Y246 WeakPolarHBondContact O-CB 3.41Å; M243-Y246 PolarHBondContact O-N 3.37Å; Y244-Y246 VanDerWaalsContact C-N 3.33Å; Y246-R248 PolarHBondContact O-N 3.08Å; Y246-I249 PolarHBondContact O-N 2.79Å; Y246-I249 VanDerWaalsContact O-N 3.09Å; Y246-D250 HydrophobicContact CE1-CB 4.24Å; Y246-D250 WeakPolarHBondContact O-CB 3.39Å; Y246-D250 PolarHBondContact O-N 3.01Å; Y246-N360 WeakPolarHBondContact CE2-ND2 3.42Å; Y246-M363 HydrophobicContact CD2-CB 4.08Å; Y246-M363 HydrophobicContact CD2-SD 4.35Å; Y246-L364 HydrophobicContact CE2-CD1 4.47Å; Y246-L364 HydrophobicContact CE2-CD2 3.85Å; Y246-L364 HydrophobicContact CE2-CG 3.79Å; Y246-L364 WeakPolarHBondContact OH-CD2 3.46Å; Y246-F367 HydrophobicContact CD1-CE2 4.17Å; Y246-F367 AromaticContact CD2-CE2 3.71Å; Y246-F367 HydrophobicContact CD2-CE2 3.71Å; Y246-F367 HydrophobicContact CD2-CZ 4.34Å; Y246-F367 HydrophobicContact CE2-CE2 4.28Å; Y246-F367 AromaticContact CG-CE2 3.64Å; Y246-F367 HydrophobicContact CG-CE2 3.64Å; Y246-F367 HydrophobicContact CG-CZ 4.16Å; Y246-E374 HydrophobicContact CD1-CB 3.99Å; Y246-E374 HydrophobicContact CE1-CB 3.4Å; Y246-E374 VanDerWaalsContact CE1-CB 3.4Å; Y246-E374 HydrophobicContact CE1-CG 3.74Å
247A94.2Very high94.7Very high3 Ų343.2 Ų43.23%0.02519%0.19CC..Hα-helixtrans-58.7-36.6-17900000112.2M243 Y244 S251 V375 M378M243-A247 WeakPolarHBondContact O-CB 3.39Å; M243-A247 PolarHBondContact O-N 3.34Å; Y244-A247 PolarHBondContact O-N 3.48Å; A247-S251 VanDerWaalsContact O-CB 3.26Å; A247-S251 WeakPolarHBondContact O-CB 3.48Å; A247-S251 PolarHBondContact O-N 3.44Å; A247-V375 WeakPolarHBondContact CB-O 3.44Å; A247-M378 HydrophobicContact CB-CB 3.76Å
248R94.1Very high94.4Very high44 Ų4443.7 Ų43.717%0.16620%0.196CC..Hα-helixtrans-65.7-46.7174.8-178.4-175.4-74.6-177.4-12.2112Y244 N245 Y246 S251 I252 Y332Y244-R248 VanDerWaalsContact CZ-NH2 3.34Å; Y244-R248 WeakPolarHBondContact O-CB 3.45Å; Y244-R248 PolarHBondContact O-N 2.82Å; Y244-R248 PolarHBondContact OH-NH2 2.62Å; N245-R248 PolarHBondContact O-N 3.49Å; Y246-R248 PolarHBondContact O-N 3.08Å; R248-S251 PolarHBondContact O-N 3.17Å; R248-I252 HydrophobicContact CG-CD1 4.15Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 VanDerWaalsContact O-CG1 3.25Å; R248-I252 WeakPolarHBondContact O-CG1 3.43Å; R248-I252 PolarHBondContact O-N 3.36Å; R248-Y332 HydrophobicContact CG-CE2 4.19Å
249I96.1Very high93.8Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-60.7-49.1176.5-68.8167.5000110.1N245 Y246 S251 I252 L253 F324 F328 L356 I359 N360 M363N245-I249 VanDerWaalsContact O-CG1 3.31Å; N245-I249 WeakPolarHBondContact O-CG1 3.42Å; N245-I249 PolarHBondContact O-N 3.4Å; Y246-I249 PolarHBondContact O-N 2.79Å; Y246-I249 VanDerWaalsContact O-N 3.09Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 PolarHBondContact O-N 3.19Å; I249-I252 PolarHBondContact O-N 3.49Å; I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.46Å; I249-L253 WeakPolarHBondContact O-CG 3.24Å; I249-L253 PolarHBondContact O-N 2.79Å; I249-F324 HydrophobicContact CD1-CE1 4.34Å; I249-F328 HydrophobicContact CD1-CD1 4.17Å; I249-F328 HydrophobicContact CD1-CD2 4.32Å; I249-F328 HydrophobicContact CD1-CE1 3.92Å; I249-F328 HydrophobicContact CD1-CE2 4.11Å; I249-F328 HydrophobicContact CD1-CG 4.36Å; I249-F328 HydrophobicContact CD1-CZ 3.9Å; I249-F328 HydrophobicContact CG1-CD1 4.41Å; I249-F328 HydrophobicContact CG1-CE1 3.66Å; I249-F328 HydrophobicContact CG1-CE2 3.95Å; I249-F328 HydrophobicContact CG1-CZ 3.4Å; I249-L356 HydrophobicContact CG1-CD2 4.11Å; I249-L356 HydrophobicContact CG2-CB 4.23Å; I249-L356 HydrophobicContact CG2-CD2 4.14Å; I249-I359 HydrophobicContact CD1-CG2 3.8Å; I249-N360 HydrophobicContact CG2-CB 3.96Å; I249-M363 HydrophobicContact CD1-SD 4.03Å
250D95.4Very high93.3Very high16 Ų1646.1 Ų46.19%0.08623%0.234CC..Hα-helixtrans-58.7-44.5178.1178.451.8000111.5Y246 I252 L253 R254Y246-D250 HydrophobicContact CE1-CB 4.24Å; Y246-D250 WeakPolarHBondContact O-CB 3.39Å; Y246-D250 PolarHBondContact O-N 3.01Å; D250-I252 PolarHBondContact O-N 2.91Å; D250-L253 PolarHBondContact O-N 3.38Å; D250-R254 VanDerWaalsContact CG-NE 3.33Å; D250-R254 WeakPolarHBondContact O-CG 3.23Å; D250-R254 PolarHBondContact O-N 3.4Å; D250-R254 IonicContact OD1-CZ 3.83Å; D250-R254 IonicContact OD1-NE 3.13Å; D250-R254 PolarHBondContact OD1-NE 3.05Å; D250-R254 VanDerWaalsContact OD1-NE 3.13Å; D250-R254 IonicContact OD1-NH2 3.58Å; D250-R254 IonicContact OD2-CZ 3.15Å; D250-R254 IonicContact OD2-NE 2.87Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.82Å; D250-R254 PolarHBondContact OD2-NH2 3.01Å
251S93.6Very high93.1Very high70 Ų7046.2 Ų46.249%0.4923%0.234SC..Hα-helixtrans-59.5-42.5176-179.70000112.9A247 R248 I249 R254 R255A247-S251 VanDerWaalsContact O-CB 3.26Å; A247-S251 WeakPolarHBondContact O-CB 3.48Å; A247-S251 PolarHBondContact O-N 3.44Å; R248-S251 PolarHBondContact O-N 3.17Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 PolarHBondContact O-N 3.19Å; S251-R254 PolarHBondContact O-N 3.23Å; S251-R255 VanDerWaalsContact O-CB 3.3Å; S251-R255 WeakPolarHBondContact O-CB 3.42Å; S251-R255 PolarHBondContact O-N 3.1Å
252I94.5Very high92.8Very high16 Ų1645.5 Ų45.58%0.08224%0.236CC..Hα-helixtrans-63.9-45.1177.1-68.8164.2000110.7R248 I249 D250 R255 F256 Y332 I337 L338 I353 L356R248-I252 HydrophobicContact CG-CD1 4.15Å; R248-I252 WeakPolarHBondContact O-CD1 3.36Å; R248-I252 VanDerWaalsContact O-CG1 3.25Å; R248-I252 WeakPolarHBondContact O-CG1 3.43Å; R248-I252 PolarHBondContact O-N 3.36Å; I249-I252 PolarHBondContact O-N 3.49Å; D250-I252 PolarHBondContact O-N 2.91Å; I252-R255 PolarHBondContact O-N 3.19Å; I252-F256 PolarHBondContact O-N 2.88Å; I252-Y332 HydrophobicContact CD1-CD2 4.25Å; I252-Y332 HydrophobicContact CD1-CE2 3.58Å; I252-I337 HydrophobicContact CD1-CD1 4.04Å; I252-I337 HydrophobicContact CG2-CG2 3.93Å; I252-L338 HydrophobicContact CG2-CD1 4.01Å; I252-L338 HydrophobicContact CG2-CD2 4.41Å; I252-L338 HydrophobicContact CG2-CG 3.97Å; I252-I353 HydrophobicContact CG2-CD1 4.26Å; I252-L356 HydrophobicContact CB-CD1 4.33Å; I252-L356 HydrophobicContact CG2-CD1 3.67Å
253L95.1Very high92.5Very high6 Ų651.1 Ų51.13%0.03127%0.273CS..Hα-helixtrans-62.3-47.3177.4-69.7175.6000111.1I249 D250 R255 F256 M257 I353 L356 R357 N360I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.46Å; I249-L253 WeakPolarHBondContact O-CG 3.24Å; I249-L253 PolarHBondContact O-N 2.79Å; D250-L253 PolarHBondContact O-N 3.38Å; L253-R255 PolarHBondContact O-N 3.42Å; L253-F256 WeakPolarHBondContact O-CB 3.16Å; L253-F256 PolarHBondContact O-N 2.93Å; L253-F256 VanDerWaalsContact O-N 3.14Å; L253-M257 HydrophobicContact CB-CE 4.11Å; L253-M257 WeakPolarHBondContact O-CB 3.23Å; L253-M257 VanDerWaalsContact O-CG 3.3Å; L253-M257 WeakPolarHBondContact O-CG 3.43Å; L253-M257 PolarHBondContact O-N 2.92Å; L253-I353 HydrophobicContact CD2-CG2 3.97Å; L253-L356 HydrophobicContact CD2-CB 3.85Å; L253-L356 HydrophobicContact CG-CB 4.31Å; L253-R357 HydrophobicContact CD1-CG 4.37Å; L253-R357 HydrophobicContact CD2-CG 3.66Å; L253-N360 HydrophobicContact CD1-CB 3.7Å
254R93.4Very high92.4Very high126 Ų12653.4 Ų53.448%0.47529%0.285SS..Hα-helixtrans-60.7-44.1176.4-70.9-178.2-163.3-149.24.8112.1D250 S251 F256 M257 N258 V376D250-R254 VanDerWaalsContact CG-NE 3.33Å; D250-R254 WeakPolarHBondContact O-CG 3.23Å; D250-R254 PolarHBondContact O-N 3.4Å; D250-R254 IonicContact OD1-CZ 3.83Å; D250-R254 IonicContact OD1-NE 3.13Å; D250-R254 PolarHBondContact OD1-NE 3.05Å; D250-R254 VanDerWaalsContact OD1-NE 3.13Å; D250-R254 IonicContact OD1-NH2 3.58Å; D250-R254 IonicContact OD2-CZ 3.15Å; D250-R254 IonicContact OD2-NE 2.87Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.82Å; D250-R254 PolarHBondContact OD2-NH2 3.01Å; S251-R254 PolarHBondContact O-N 3.23Å; R254-F256 PolarHBondContact O-N 2.93Å; R254-M257 CarbonylContact O-C 3.59Å; R254-M257 PolarHBondContact O-N 3.22Å; R254-M257 VanDerWaalsContact O-N 3.16Å; R254-N258 WeakPolarHBondContact O-CB 3.41Å; R254-N258 PolarHBondContact O-N 3.45Å; R254-V376 VanDerWaalsContact NH2-CG1 3.33Å
255R92.3Very high92.3Very high130 Ų13052.2 Ų52.249%0.49129%0.285SS..Hα-helixtrans-62.9-32176.4-179.3174.9172.4-177.3-0.7112.1S251 I252 L253 N258 F261 L338S251-R255 VanDerWaalsContact O-CB 3.3Å; S251-R255 WeakPolarHBondContact O-CB 3.42Å; S251-R255 PolarHBondContact O-N 3.1Å; I252-R255 PolarHBondContact O-N 3.19Å; L253-R255 PolarHBondContact O-N 3.42Å; R255-N258 VanDerWaalsContact O-CG 3.3Å; R255-N258 PolarHBondContact O-OD1 3.16Å; R255-F261 HydrophobicContact CG-CE2 4.3Å; R255-F261 WeakPolarHBondContact O-CD2 3.47Å; R255-F261 WeakPolarHBondContact O-CE2 3.38Å; R255-L338 HydrophobicContact CB-CD1 4.12Å; R255-L338 HydrophobicContact CG-CD1 3.93Å
256F93.5Very high92.1Very high8 Ų859.1 Ų59.14%0.03532%0.318CS..Hα-helixtrans-72.5-40.7173.3-166.9-93.6000112I252 L253 R254 F261 I264 L338 V345 V349 Y350 I353I252-F256 PolarHBondContact O-N 2.88Å; L253-F256 WeakPolarHBondContact O-CB 3.16Å; L253-F256 PolarHBondContact O-N 2.93Å; L253-F256 VanDerWaalsContact O-N 3.14Å; R254-F256 PolarHBondContact O-N 2.93Å; F256-F261 HydrophobicContact CD2-CB 3.86Å; F256-F261 HydrophobicContact CD2-CD1 4.29Å; F256-F261 AromaticContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CD2 3.93Å; F256-F261 AromaticContact CD2-CG 3.75Å; F256-F261 HydrophobicContact CD2-CG 3.75Å; F256-F261 HydrophobicContact CE1-CB 4.49Å; F256-F261 HydrophobicContact CE2-CB 3.68Å; F256-F261 HydrophobicContact CE2-CD1 4.2Å; F256-F261 AromaticContact CE2-CG 3.89Å; F256-F261 HydrophobicContact CE2-CG 3.89Å; F256-F261 HydrophobicContact CG-CB 4.38Å; F256-F261 HydrophobicContact CG-CD2 4.41Å; F256-F261 HydrophobicContact CG-CG 4.49Å; F256-F261 HydrophobicContact CZ-CB 4.02Å; F256-I264 HydrophobicContact CE1-CB 4.15Å; F256-L338 HydrophobicContact CB-CD2 4.22Å; F256-L338 HydrophobicContact CD2-CD2 3.56Å; F256-L338 HydrophobicContact CE2-CD2 4.43Å; F256-L338 HydrophobicContact CG-CD2 4.33Å; F256-V345 HydrophobicContact CE2-CG1 4.5Å; F256-V345 HydrophobicContact CE2-CG2 4.47Å; F256-V349 HydrophobicContact CE2-CG1 4.1Å; F256-Y350 HydrophobicContact CE1-CD1 4.42Å; F256-Y350 HydrophobicContact CE1-CE1 4.43Å; F256-Y350 AromaticContact CZ-CD1 3.73Å; F256-Y350 HydrophobicContact CZ-CD1 3.73Å; F256-Y350 AromaticContact CZ-CE1 3.67Å; F256-Y350 HydrophobicContact CZ-CE1 3.67Å; F256-I353 HydrophobicContact CB-CD1 4.05Å; F256-I353 HydrophobicContact CD1-CG1 4.2Å; F256-I353 HydrophobicContact CD1-CG2 3.97Å; F256-I353 HydrophobicContact CD2-CD1 3.96Å; F256-I353 HydrophobicContact CD2-CG1 3.85Å; F256-I353 HydrophobicContact CE1-CG1 4.39Å; F256-I353 HydrophobicContact CE1-CG2 4.31Å; F256-I353 HydrophobicContact CE2-CG1 4.02Å; F256-I353 HydrophobicContact CG-CD1 3.92Å; F256-I353 HydrophobicContact CG-CG1 3.92Å; F256-I353 HydrophobicContact CG-CG2 4.34Å; F256-I353 HydrophobicContact CZ-CG1 4.28Å
257M90.4Very high91.7Very high118 Ų11860.1 Ų60.158%0.58132%0.323SS*.Hα-helixtrans-86-5.6-174-65.6-175.5-58.500114.9L253 R254 G259L253-M257 HydrophobicContact CB-CE 4.11Å; L253-M257 WeakPolarHBondContact O-CB 3.23Å; L253-M257 VanDerWaalsContact O-CG 3.3Å; L253-M257 WeakPolarHBondContact O-CG 3.43Å; L253-M257 PolarHBondContact O-N 2.92Å; R254-M257 CarbonylContact O-C 3.59Å; R254-M257 PolarHBondContact O-N 3.22Å; R254-M257 VanDerWaalsContact O-N 3.16Å; M257-G259 PolarHBondContact O-N 2.69Å
258N88Confident91.4Very high91 Ų9163.2 Ų63.249%0.48735%0.345SS..THydrogen-bonded Turntrans-74.115.2-177.970.6-2000114.8R254 R255 L260R254-N258 WeakPolarHBondContact O-CB 3.41Å; R254-N258 PolarHBondContact O-N 3.45Å; R255-N258 VanDerWaalsContact O-CG 3.3Å; R255-N258 PolarHBondContact O-OD1 3.16Å; N258-L260 VanDerWaalsContact C-N 3.32Å; N258-L260 WeakPolarHBondContact ND2-CD1 3.48Å; N258-L260 PolarHBondContact O-N 3.27Å; N258-L260 VanDerWaalsContact OD1-CB 3.28Å; N258-L260 WeakPolarHBondContact OD1-CB 3.4Å; N258-L260 WeakPolarHBondContact OD1-CG 3.39Å; N258-L260 PolarHBondContact OD1-N 3.32Å; N258-L260 VanDerWaalsContact OD1-N 3.13Å
259G83.2Confident91.3Very high68 Ų6864.5 Ų64.570%0.70136%0.364SS*.THydrogen-bonded Turntrans82.6-3.318000000115.4M257M257-G259 PolarHBondContact O-N 2.69Å
260L86.8Confident91Very high108 Ų10865.1 Ų65.157%0.56537%0.368SS*.THydrogen-bonded Turntrans-75.7-26.3178.1-65.9177.6000113.3N258 S342N258-L260 VanDerWaalsContact C-N 3.32Å; N258-L260 WeakPolarHBondContact ND2-CD1 3.48Å; N258-L260 PolarHBondContact O-N 3.27Å; N258-L260 VanDerWaalsContact OD1-CB 3.28Å; N258-L260 WeakPolarHBondContact OD1-CB 3.4Å; N258-L260 WeakPolarHBondContact OD1-CG 3.39Å; N258-L260 PolarHBondContact OD1-N 3.32Å; N258-L260 VanDerWaalsContact OD1-N 3.13Å; L260-S342 WeakPolarHBondContact O-CB 3.39Å; L260-S342 PolarHBondContact O-OG 3.5Å
261F90.1Very high90.7Very high20 Ų2067.2 Ų67.29%0.08838%0.382CS..SBendtrans-107.8155-179.9-63.6-85.2000110.9R255 F256 L338 P339 V345R255-F261 HydrophobicContact CG-CE2 4.3Å; R255-F261 WeakPolarHBondContact O-CD2 3.47Å; R255-F261 WeakPolarHBondContact O-CE2 3.38Å; F256-F261 HydrophobicContact CD2-CB 3.86Å; F256-F261 HydrophobicContact CD2-CD1 4.29Å; F256-F261 AromaticContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CD2 3.93Å; F256-F261 AromaticContact CD2-CG 3.75Å; F256-F261 HydrophobicContact CD2-CG 3.75Å; F256-F261 HydrophobicContact CE1-CB 4.49Å; F256-F261 HydrophobicContact CE2-CB 3.68Å; F256-F261 HydrophobicContact CE2-CD1 4.2Å; F256-F261 AromaticContact CE2-CG 3.89Å; F256-F261 HydrophobicContact CE2-CG 3.89Å; F256-F261 HydrophobicContact CG-CB 4.38Å; F256-F261 HydrophobicContact CG-CD2 4.41Å; F256-F261 HydrophobicContact CG-CG 4.49Å; F256-F261 HydrophobicContact CZ-CB 4.02Å; F261-L338 HydrophobicContact CE2-CD1 4.49Å; F261-L338 HydrophobicContact CZ-CD2 4.46Å; F261-P339 HydrophobicContact CE1-CG 4.06Å; F261-V345 HydrophobicContact CD1-CG2 3.43Å; F261-V345 VanDerWaalsContact CD1-CG2 3.43Å; F261-V345 HydrophobicContact CE1-CG2 4.08Å; F261-V345 HydrophobicContact CG-CG2 4.41Å
262P90.2Very high90.3Very high56 Ų5669.2 Ų69.236%0.36439%0.392SS..PPolyproline II helixtrans-61.8153.4176.5-1628000111.3I264 Y350P262-I264 PolarHBondContact O-N 3.31Å; P262-Y350 WeakPolarHBondContact CB-OH 3.46Å
263P90.4Very high89.9Confident119 Ų11973.8 Ų73.877%0.77341%0.413SS*.PPolyproline II helixtrans-51.3142176.6-2634.3000112P265P263-P265 WeakPolarHBondContact O-CD 2.84Å
264I92.2Very high89.4Confident48 Ų4874 Ų7425%0.24641%0.414CS..PPolyproline II helixtrans-72121.2177.5-172.2164.3000109.5F256 P262 Y350 I353 H354F256-I264 HydrophobicContact CE1-CB 4.15Å; P262-I264 PolarHBondContact O-N 3.31Å; I264-Y350 HydrophobicContact CB-CD1 4.36Å; I264-Y350 HydrophobicContact CG1-CD1 4.02Å; I264-I353 HydrophobicContact CD1-CB 3.92Å; I264-I353 HydrophobicContact CD1-CG2 3.57Å; I264-H354 VanDerWaalsContact CD1-CE1 3.49Å; I264-H354 WeakPolarHBondContact CD1-CE1 3.48Å; I264-H354 WeakPolarHBondContact CD1-NE2 3.36Å; I264-H354 WeakPolarHBondContact CG1-NE2 3.39Å
265P92.6Very high88.7Confident43 Ų4369.5 Ų69.528%0.27940%0.398SS..PPolyproline II helixtrans-67.9158.8172.631-35.4000109.9P263 A269 L270 Y350 H354P263-P265 WeakPolarHBondContact O-CD 2.84Å; P265-A269 HydrophobicContact CB-CB 4.33Å; P265-L270 HydrophobicContact CG-CD2 3.75Å; P265-Y350 VanDerWaalsContact CD-CD1 3.43Å; P265-Y350 HydrophobicContact CG-CD1 4.34Å; P265-Y350 HydrophobicContact CG-CD2 3.91Å; P265-Y350 HydrophobicContact CG-CE2 4.23Å; P265-Y350 HydrophobicContact CG-CG 4Å; P265-H354 PolarHBondContact O-CE1 3.27Å; P265-H354 PolarHBondContact O-NE2 3.27Å
266E91.3Very high88Confident145 Ų14570 Ų7068%0.67841%0.41SS*.PPolyproline II helixtrans-56.6149.6172.2-65.8-169.5171.900111.5S268 A269E266-S268 VanDerWaalsContact CB-OG 3.27Å; E266-S268 WeakPolarHBondContact CB-OG 3.38Å; E266-S268 PolarHBondContact O-N 3.07Å; E266-S268 PolarHBondContact OE2-OG 3.03Å; E266-S268 VanDerWaalsContact OE2-OG 3.06Å; E266-A269 WeakPolarHBondContact O-CB 3.49Å; E266-A269 PolarHBondContact O-N 3.36Å
267L88.1Confident87.4Confident28 Ų2876.9 Ų76.915%0.14744%0.44CS..G310 helixtrans-59.5-31.4178.7-179.863.9000112.2K2 M5 A269 L270 F275 H354K2-L267 HydrophobicContact CG-CD2 4.11Å; M5-L267 HydrophobicContact CB-CD2 4.5Å; M5-L267 HydrophobicContact CE-CD1 3.61Å; M5-L267 HydrophobicContact CE-CD2 3.52Å; M5-L267 HydrophobicContact CE-CG 4.19Å; M5-L267 HydrophobicContact SD-CD2 4.42Å; L267-A269 PolarHBondContact O-N 2.98Å; L267-L270 HydrophobicContact CD1-CD1 4.16Å; L267-L270 PolarHBondContact O-N 3.4Å; L267-F275 HydrophobicContact CD1-CE1 3.93Å; L267-F275 HydrophobicContact CD1-CZ 3.81Å; L267-F275 HydrophobicContact CG-CZ 4.32Å; L267-H354 HydrophobicContact CD1-CB 4.33Å
268S87.7Confident87Confident68 Ų6872.3 Ų72.348%0.47642%0.418SS..G310 helixtrans-61.3-27.4174.551.90000113.6E266E266-S268 VanDerWaalsContact CB-OG 3.27Å; E266-S268 WeakPolarHBondContact CB-OG 3.38Å; E266-S268 PolarHBondContact O-N 3.07Å; E266-S268 PolarHBondContact OE2-OG 3.03Å; E266-S268 VanDerWaalsContact OE2-OG 3.06Å
269A91.5Very high86.8Confident70 Ų7069.2 Ų69.258%0.57941%0.407SS*.G310 helixtrans-89-5.7-177.600000113.4P265 E266 L267P265-A269 HydrophobicContact CB-CB 4.33Å; E266-A269 WeakPolarHBondContact O-CB 3.49Å; E266-A269 PolarHBondContact O-N 3.36Å; L267-A269 PolarHBondContact O-N 2.98Å
270L90.5Very high87Confident14 Ų1470.3 Ų70.37%0.07339%0.394CS..SBendtrans-80.5138.6179.1-64.1-172.7000111.8P265 L267 P347 Y350 F351P265-L270 HydrophobicContact CG-CD2 3.75Å; L267-L270 HydrophobicContact CD1-CD1 4.16Å; L267-L270 PolarHBondContact O-N 3.4Å; L270-P347 HydrophobicContact CD2-CB 4.5Å; L270-Y350 HydrophobicContact CD2-CD2 4.24Å; L270-Y350 HydrophobicContact CD2-CG 4.42Å; L270-F351 HydrophobicContact CD1-CB 3.97Å
271P89.8Confident87.1Confident60 Ų6065.3 Ų65.339%0.3937%0.368SS..  trans-57.2141174.1-23.432.9000112.8E273 C274 P347P271-E273 PolarHBondContact O-N 3.07Å; P271-E273 VanDerWaalsContact O-N 3.09Å; P271-C274 WeakPolarHBondContact O-CB 3.24Å; P271-C274 PolarHBondContact O-N 3.03Å; P271-C274 PolarHBondContact O-SG 3.46Å; P271-P347 HydrophobicContact CG-CB 4.25Å; P271-P347 HydrophobicContact CG-CG 4.41Å
272T84.5Confident86.8Confident112 Ų11264.6 Ų64.669%0.68737%0.366SS*.THydrogen-bonded Turntrans-56.4-30.3179.5-50.50000112.7C274 F275T272-C274 PolarHBondContact O-N 3.39Å; T272-F275 WeakPolarHBondContact O-CB 3.38Å; T272-F275 WeakPolarHBondContact O-CD2 3.05Å; T272-F275 PolarHBondContact O-N 3.45Å; T272-F275 VanDerWaalsContact O-N 3.15Å
273E86.2Confident86.7Confident112 Ų11265.7 Ų65.752%0.52337%0.369SS..Hα-helixtrans-59.3-28.9176.6-62.4173.1-148.100113.8P271 F275 L276 K277P271-E273 PolarHBondContact O-N 3.07Å; P271-E273 VanDerWaalsContact O-N 3.09Å; E273-F275 PolarHBondContact O-N 3.48Å; E273-L276 PolarHBondContact O-N 3.1Å; E273-K277 HydrophobicContact CB-CD 4.49Å; E273-K277 WeakPolarHBondContact O-CB 3.44Å; E273-K277 PolarHBondContact O-N 3Å; E273-K277 IonicContact OE2-NZ 2.67Å; E273-K277 PolarHBondContact OE2-NZ 2.82Å
274C84.5Confident86.8Confident10 Ų1060.1 Ų60.17%0.06833%0.332CS..Hα-helixtrans-61.8-35.4179-62.10000111.6P271 T272 L276 N278 P347 F351P271-C274 WeakPolarHBondContact O-CB 3.24Å; P271-C274 PolarHBondContact O-N 3.03Å; P271-C274 PolarHBondContact O-SG 3.46Å; T272-C274 PolarHBondContact O-N 3.39Å; C274-L276 VanDerWaalsContact C-N 3.35Å; C274-N278 WeakPolarHBondContact O-CB 3.35Å; C274-N278 PolarHBondContact O-N 3.32Å; C274-N278 PolarHBondContact O-ND2 3.16Å; C274-P347 VanDerWaalsContact SG-C 3.6Å; C274-P347 WeakPolarHBondContact SG-CB 3.38Å; C274-F351 HydrophobicContact CB-CB 4.16Å; C274-F351 HydrophobicContact CB-CG 4.49Å
275F78.9Confident86.6Confident31 Ų3157.9 Ų57.914%0.13632%0.321CS..Hα-helixtrans-70.1-33.8179.6-59.1-93.2000111.6M1 K2 M5 L267 T272 E273 F351M1-F275 HydrophobicContact CB-CB 4.32Å; M1-F275 HydrophobicContact CB-CD1 3.74Å; M1-F275 HydrophobicContact CB-CG 4.48Å; M1-F275 HydrophobicContact CG-CD1 3.75Å; K2-F275 HydrophobicContact CB-CE1 4.03Å; K2-F275 HydrophobicContact CB-CZ 4.34Å; M5-F275 HydrophobicContact CE-CE1 3.93Å; L267-F275 HydrophobicContact CD1-CE1 3.93Å; L267-F275 HydrophobicContact CD1-CZ 3.81Å; L267-F275 HydrophobicContact CG-CZ 4.32Å; T272-F275 WeakPolarHBondContact O-CB 3.38Å; T272-F275 WeakPolarHBondContact O-CD2 3.05Å; T272-F275 PolarHBondContact O-N 3.45Å; T272-F275 VanDerWaalsContact O-N 3.15Å; E273-F275 PolarHBondContact O-N 3.48Å; F275-F351 AromaticContact CD1-CD2 3.93Å; F275-F351 HydrophobicContact CD1-CD2 3.93Å; F275-F351 AromaticContact CD1-CE2 3.35Å; F275-F351 HydrophobicContact CD1-CE2 3.35Å; F275-F351 HydrophobicContact CD1-CZ 4.22Å; F275-F351 AromaticContact CE1-CD2 3.99Å; F275-F351 HydrophobicContact CE1-CD2 3.99Å; F275-F351 AromaticContact CE1-CE2 3.68Å; F275-F351 HydrophobicContact CE1-CE2 3.68Å; F275-F351 HydrophobicContact CG-CD2 4.46Å; F275-F351 HydrophobicContact CG-CE2 4.1Å
276L78.6Confident86.3Confident141 Ų14159.2 Ų59.274%0.73832%0.323SS*.Hα-helixtrans-77.3-50177.8-61.7174000111.8E273 C274 N278 G279E273-L276 PolarHBondContact O-N 3.1Å; C274-L276 VanDerWaalsContact C-N 3.35Å; L276-N278 VanDerWaalsContact C-N 3.25Å; L276-N278 PolarHBondContact O-N 3.2Å; L276-G279 PolarHBondContact O-N 3.5Å
277K80.4Confident86.2Confident153 Ų15356.2 Ų56.267%0.66531%0.312SS*.Hα-helixtrans-68.5-22.6-175.3-71.3172.7177.31630113.3E273E273-K277 HydrophobicContact CB-CD 4.49Å; E273-K277 WeakPolarHBondContact O-CB 3.44Å; E273-K277 PolarHBondContact O-N 3Å; E273-K277 IonicContact OE2-NZ 2.67Å; E273-K277 PolarHBondContact OE2-NZ 2.82Å
278N82.2Confident86.2Confident22 Ų2255.2 Ų55.212%0.11831%0.306CS..THydrogen-bonded Turntrans-106.432.2179.4-61.9-80.7000112.6C274 L276 Q280 F281 A282 F351 K352C274-N278 WeakPolarHBondContact O-CB 3.35Å; C274-N278 PolarHBondContact O-N 3.32Å; C274-N278 PolarHBondContact O-ND2 3.16Å; L276-N278 VanDerWaalsContact C-N 3.25Å; L276-N278 PolarHBondContact O-N 3.2Å; N278-Q280 PolarHBondContact O-N 2.88Å; N278-F281 PolarHBondContact O-N 3.01Å; N278-A282 PolarHBondContact O-N 3.2Å; N278-F351 HydrophobicContact CB-CD1 3.47Å; N278-F351 VanDerWaalsContact CB-CD1 3.47Å; N278-F351 HydrophobicContact CB-CE1 3.53Å; N278-K352 WeakPolarHBondContact OD1-CE 3.25Å
279G82.1Confident86.1Confident25 Ų2553.4 Ų53.426%0.25829%0.291SS..Hα-helixtrans-50-33.1-176.900000114.7L276 F281 A282 N283L276-G279 PolarHBondContact O-N 3.5Å; G279-F281 VanDerWaalsContact C-N 3.32Å; G279-F281 PolarHBondContact O-N 3.44Å; G279-A282 WeakPolarHBondContact O-CB 3.48Å; G279-A282 PolarHBondContact O-N 3.02Å; G279-A282 VanDerWaalsContact O-N 3.12Å; G279-N283 WeakPolarHBondContact O-CB 3.45Å; G279-N283 PolarHBondContact O-N 3.49Å; G279-N283 PolarHBondContact O-OD1 3.38Å; G279-N283 VanDerWaalsContact O-OD1 3.07Å
280Q87.5Confident85.8Confident92 Ų9257.4 Ų57.443%0.4330%0.298SS..Hα-helixtrans-62.4-35.6176.2-66.8-176.852.500113.5N278 L284 V331N278-Q280 PolarHBondContact O-N 2.88Å; Q280-L284 PolarHBondContact O-N 3.47Å; Q280-V331 HydrophobicContact CB-CG1 4.09Å; Q280-V331 HydrophobicContact CB-CG2 4.31Å
281F88.8Confident84.9Confident2 Ų258.6 Ų58.61%0.00931%0.307CS..Hα-helixtrans-76-33.4173.9-86.7-101.9000111.5N278 G279 L284 V331 V335 I337 F351 K352 V355 L356N278-F281 PolarHBondContact O-N 3.01Å; G279-F281 VanDerWaalsContact C-N 3.32Å; G279-F281 PolarHBondContact O-N 3.44Å; F281-L284 HydrophobicContact CD1-CD1 4.4Å; F281-L284 WeakPolarHBondContact O-CB 3.26Å; F281-L284 PolarHBondContact O-N 2.86Å; F281-V331 HydrophobicContact CD2-CG1 3.84Å; F281-V331 HydrophobicContact CE2-CG1 3.52Å; F281-V331 HydrophobicContact CZ-CG1 4.08Å; F281-V335 HydrophobicContact CD2-CG1 4.39Å; F281-V335 HydrophobicContact CE2-CB 3.96Å; F281-V335 HydrophobicContact CE2-CG1 3.67Å; F281-V335 HydrophobicContact CE2-CG2 4.46Å; F281-I337 HydrophobicContact CE1-CD1 3.94Å; F281-I337 HydrophobicContact CE1-CG1 4.43Å; F281-I337 HydrophobicContact CZ-CD1 3.51Å; F281-I337 HydrophobicContact CZ-CG1 3.69Å; F281-F351 HydrophobicContact CB-CE1 4.11Å; F281-K352 HydrophobicContact CD1-CB 4.18Å; F281-K352 HydrophobicContact CD1-CG 4.09Å; F281-K352 HydrophobicContact CD2-CD 4.42Å; F281-K352 HydrophobicContact CD2-CG 4Å; F281-K352 HydrophobicContact CE1-CB 4.15Å; F281-K352 HydrophobicContact CE1-CG 4.2Å; F281-K352 HydrophobicContact CE2-CD 4.15Å; F281-K352 HydrophobicContact CE2-CG 4.12Å; F281-K352 HydrophobicContact CG-CG 4Å; F281-K352 HydrophobicContact CZ-CD 4.34Å; F281-K352 HydrophobicContact CZ-CG 4.24Å; F281-V355 HydrophobicContact CB-CG1 4.28Å; F281-V355 HydrophobicContact CB-CG2 4.47Å; F281-V355 HydrophobicContact CD1-CB 4.3Å; F281-V355 HydrophobicContact CD1-CG1 3.94Å; F281-L356 HydrophobicContact CE1-CD2 4.13Å; F281-L356 HydrophobicContact CE1-CG 4.33Å
282A83.7Confident84Confident5 Ų559.9 Ų59.94%0.04131%0.308CS..Hα-helixtrans-61.2-46172.300000111.8M1 N278 G279 L284 V285 E286M1-A282 VanDerWaalsContact CE-CA 3.47Å; M1-A282 HydrophobicContact CE-CB 3.93Å; M1-A282 HydrophobicContact CG-CB 3.87Å; M1-A282 HydrophobicContact SD-CB 3.55Å; M1-A282 VanDerWaalsContact SD-CB 3.55Å; N278-A282 PolarHBondContact O-N 3.2Å; G279-A282 WeakPolarHBondContact O-CB 3.48Å; G279-A282 PolarHBondContact O-N 3.02Å; G279-A282 VanDerWaalsContact O-N 3.12Å; A282-L284 PolarHBondContact O-N 3.28Å; A282-L284 VanDerWaalsContact O-N 3.15Å; A282-V285 PolarHBondContact O-N 3.41Å; A282-E286 PolarHBondContact O-N 2.87Å
283N88.5Confident83.9Confident80 Ų8057.7 Ų57.743%0.42830%0.296SS..Hα-helixtrans-59.1-29.1177.4-65.3-2.3000112.6G279 N287G279-N283 WeakPolarHBondContact O-CB 3.45Å; G279-N283 PolarHBondContact O-N 3.49Å; G279-N283 PolarHBondContact O-OD1 3.38Å; G279-N283 VanDerWaalsContact O-OD1 3.07Å; N283-N287 WeakPolarHBondContact O-CB 3.36Å; N283-N287 PolarHBondContact O-N 2.92Å; N283-N287 PolarHBondContact O-ND2 3.33Å; N283-N287 PolarHBondContact O-OD1 3.2Å
284L92.4Very high83.8Confident2 Ų253.1 Ų53.11%0.0127%0.274CS..Hα-helixtrans-64.2-42.2174.9-68.9174.5000111.9Q280 F281 A282 I288 F324 F328 V331 I359Q280-L284 PolarHBondContact O-N 3.47Å; F281-L284 HydrophobicContact CD1-CD1 4.4Å; F281-L284 WeakPolarHBondContact O-CB 3.26Å; F281-L284 PolarHBondContact O-N 2.86Å; A282-L284 PolarHBondContact O-N 3.28Å; A282-L284 VanDerWaalsContact O-N 3.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 3.12Å; L284-F324 HydrophobicContact CB-CE2 4.35Å; L284-F324 HydrophobicContact CD2-CE2 4.4Å; L284-F328 HydrophobicContact CD1-CD2 3.92Å; L284-F328 HydrophobicContact CD2-CB 4.4Å; L284-V331 HydrophobicContact CD1-CB 4.26Å; L284-V331 HydrophobicContact CD1-CG1 4.25Å; L284-V331 HydrophobicContact CD1-CG2 4.27Å; L284-V331 HydrophobicContact CD2-CG2 3.99Å; L284-V331 HydrophobicContact CG-CG2 4.16Å; L284-I359 HydrophobicContact CB-CD1 4.2Å; L284-I359 HydrophobicContact CD1-CD1 4.41Å
285V88.4Confident84Confident0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-71.7-42.5178.1176.50000110.5M1 A4 M5 L8 A282 N287 I288 L289 V355M1-V285 HydrophobicContact CE-CB 3.85Å; M1-V285 HydrophobicContact CE-CG1 4.37Å; M1-V285 HydrophobicContact CE-CG2 3.72Å; M1-V285 HydrophobicContact SD-CB 4.46Å; A4-V285 HydrophobicContact CB-CG1 4.29Å; M5-V285 HydrophobicContact CG-CG1 4.38Å; M5-V285 HydrophobicContact CG-CG2 4.4Å; L8-V285 HydrophobicContact CB-CG1 4.45Å; L8-V285 HydrophobicContact CD2-CG1 3.93Å; A282-V285 PolarHBondContact O-N 3.41Å; V285-N287 VanDerWaalsContact C-N 3.33Å; V285-N287 PolarHBondContact O-N 3.28Å; V285-I288 WeakPolarHBondContact O-CB 3.38Å; V285-I288 PolarHBondContact O-N 3.01Å; V285-I288 VanDerWaalsContact O-N 3.17Å; V285-L289 HydrophobicContact CG1-CD1 4.28Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 3.26Å; V285-V355 HydrophobicContact CG2-CG1 3.79Å
286E87.3Confident84.4Confident71 Ų7151.5 Ų51.533%0.33227%0.266SS..Hα-helixtrans-61-43.3175.6-68.6176.7-179.500111.1A282 I288 L289 H290A282-E286 PolarHBondContact O-N 2.87Å; E286-I288 VanDerWaalsContact C-N 3.3Å; E286-I288 PolarHBondContact O-N 2.88Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.13Å; E286-H290 WeakPolarHBondContact O-CB 3.34Å; E286-H290 PolarHBondContact O-CD2 2.9Å; E286-H290 PolarHBondContact O-N 3.24Å
287N87.8Confident84.8Confident83 Ų8347.7 Ų47.744%0.44425%0.247SC..Hα-helixtrans-58.8-39.9174.5-73.1-13.2000112.1N283 V285 S291N283-N287 WeakPolarHBondContact O-CB 3.36Å; N283-N287 PolarHBondContact O-N 2.92Å; N283-N287 PolarHBondContact O-ND2 3.33Å; N283-N287 PolarHBondContact O-OD1 3.2Å; V285-N287 VanDerWaalsContact C-N 3.33Å; V285-N287 PolarHBondContact O-N 3.28Å; N287-S291 WeakPolarHBondContact O-CA 3.43Å; N287-S291 WeakPolarHBondContact O-CB 3.34Å; N287-S291 PolarHBondContact O-N 2.92Å; N287-S291 PolarHBondContact O-OG 3.45Å
288I88.4Confident85.1Confident6 Ų641.8 Ų41.83%0.03122%0.223CC..Hα-helixtrans-60.6-50.7174.6-69.3165.3000109.9L8 L284 V285 E286 H290 S291 F324 I359 W362L8-I288 HydrophobicContact CD1-CG2 3.87Å; L8-I288 HydrophobicContact CD2-CD1 4.24Å; L8-I288 HydrophobicContact CD2-CG2 4.15Å; L284-I288 WeakPolarHBondContact O-CG1 3.38Å; L284-I288 PolarHBondContact O-N 3.12Å; V285-I288 WeakPolarHBondContact O-CB 3.38Å; V285-I288 PolarHBondContact O-N 3.01Å; V285-I288 VanDerWaalsContact O-N 3.17Å; E286-I288 VanDerWaalsContact C-N 3.3Å; E286-I288 PolarHBondContact O-N 2.88Å; I288-H290 VanDerWaalsContact C-N 3.29Å; I288-H290 PolarHBondContact O-N 3.34Å; I288-S291 PolarHBondContact O-OG 2.86Å; I288-S291 VanDerWaalsContact O-OG 3.14Å; I288-F324 HydrophobicContact CD1-CD2 3.75Å; I288-F324 HydrophobicContact CD1-CE2 3.8Å; I288-F324 HydrophobicContact CG1-CD2 3.76Å; I288-F324 HydrophobicContact CG1-CE2 4.29Å; I288-I359 HydrophobicContact CD1-CG1 4.04Å; I288-W362 HydrophobicContact CD1-CD2 3.96Å; I288-W362 HydrophobicContact CD1-CE3 3.69Å; I288-W362 HydrophobicContact CD1-CH2 4.37Å; I288-W362 HydrophobicContact CD1-CZ3 3.92Å; I288-W362 HydrophobicContact CG1-CD2 4.37Å; I288-W362 HydrophobicContact CG1-CE3 4.26Å; I288-W362 HydrophobicContact CG1-CH2 4.05Å; I288-W362 HydrophobicContact CG1-CZ2 4.15Å; I288-W362 HydrophobicContact CG1-CZ3 4.11Å; I288-W362 HydrophobicContact CG2-CD2 4.03Å; I288-W362 HydrophobicContact CG2-CG 4.31Å; I288-W362 HydrophobicContact CG2-CZ2 3.91Å
289L86.8Confident85.4Confident30 Ų3040.9 Ų40.916%0.15722%0.218CC..Hα-helixtrans-64-30.8-177.1-69.9171.4000113.7A4 L7 L8 V285 E286 F294A4-L289 HydrophobicContact CB-CD1 3.8Å; L7-L289 HydrophobicContact CD2-CD1 4.43Å; L7-L289 HydrophobicContact CD2-CD2 4.27Å; L7-L289 HydrophobicContact CG-CD2 4.31Å; L8-L289 HydrophobicContact CB-CD2 4.14Å; L8-L289 HydrophobicContact CD1-CD2 4.31Å; V285-L289 HydrophobicContact CG1-CD1 4.28Å; V285-L289 WeakPolarHBondContact O-CG 3.46Å; V285-L289 PolarHBondContact O-N 3.26Å; E286-L289 PolarHBondContact O-N 3.3Å; E286-L289 VanDerWaalsContact O-N 3.13Å; L289-F294 HydrophobicContact CD2-CE2 4.07Å; L289-F294 HydrophobicContact CD2-CZ 4.04Å
290H84.4Confident85.6Confident154 Ų15442.4 Ų42.471%0.71322%0.216SC*.Hα-helixtrans-100.7-16.5-175.7-66.7-61.6000114.8E286 I288 Q292E286-H290 WeakPolarHBondContact O-CB 3.34Å; E286-H290 PolarHBondContact O-CD2 2.9Å; E286-H290 PolarHBondContact O-N 3.24Å; I288-H290 VanDerWaalsContact C-N 3.29Å; I288-H290 PolarHBondContact O-N 3.34Å; H290-Q292 PolarHBondContact O-N 3.42Å
291S72Confident85.4Confident40 Ų4041.8 Ų41.828%0.2822%0.221SC..Hα-helixtrans-60.6-42.4-171.856.90000113.3N287 I288N287-S291 WeakPolarHBondContact O-CA 3.43Å; N287-S291 WeakPolarHBondContact O-CB 3.34Å; N287-S291 PolarHBondContact O-N 2.92Å; N287-S291 PolarHBondContact O-OG 3.45Å; I288-S291 PolarHBondContact O-OG 2.86Å; I288-S291 VanDerWaalsContact O-OG 3.14Å
292Q71.3Confident85.1Confident86 Ų8642.6 Ų42.640%0.40223%0.226SC..SBendtrans-160.5159.1-179.4-70.7-63.5-71.200108.8H290 Q320H290-Q292 PolarHBondContact O-N 3.42Å; Q292-Q320 HydrophobicContact CB-CG 4.44Å; Q292-Q320 HydrophobicContact CG-CG 4.32Å
293P80.6Confident85.1Confident67 Ų6743.4 Ų43.444%0.43523%0.23SC..  trans-54.3146.7164.1-20.632.9000110.1L298P293-L298 HydrophobicContact CB-CD2 3.73Å; P293-L298 HydrophobicContact CB-CG 3.91Å; P293-L298 HydrophobicContact CG-CD2 3.96Å
294F85.1Confident84.6Confident15 Ų1548.1 Ų48.17%0.06624%0.242CC..  trans-63.1145174.6-81.1-116.3000108.7L8 K11 L289 E296 D297 L298L8-F294 HydrophobicContact CD1-CE1 3.97Å; L8-F294 HydrophobicContact CD1-CZ 3.64Å; K11-F294 HydrophobicContact CB-CD1 4.2Å; K11-F294 HydrophobicContact CB-CE1 3.84Å; K11-F294 HydrophobicContact CB-CZ 4.26Å; K11-F294 HydrophobicContact CD-CD1 3.88Å; K11-F294 HydrophobicContact CD-CD2 3.61Å; K11-F294 HydrophobicContact CD-CE1 3.72Å; K11-F294 HydrophobicContact CD-CE2 3.44Å; K11-F294 VanDerWaalsContact CD-CE2 3.44Å; K11-F294 HydrophobicContact CD-CG 3.83Å; K11-F294 HydrophobicContact CD-CZ 3.5Å; K11-F294 HydrophobicContact CG-CE1 4.44Å; K11-F294 VanDerWaalsContact NZ-CD2 3.28Å; L289-F294 HydrophobicContact CD2-CE2 4.07Å; L289-F294 HydrophobicContact CD2-CZ 4.04Å; F294-E296 PolarHBondContact O-N 3.3Å; F294-D297 HydrophobicContact CB-CB 4.39Å; F294-D297 WeakPolarHBondContact O-CB 3.49Å; F294-D297 PolarHBondContact O-N 2.79Å; F294-L298 PolarHBondContact O-N 2.99Å
295A88.6Confident83.6Confident2 Ų250.3 Ų50.32%0.01726%0.257CS..Hα-helixtrans-58.8-34-17600000111.9I57 L298 M299 P315 L317I57-A295 HydrophobicContact CD1-CB 3.87Å; I57-A295 HydrophobicContact CG1-CB 4.08Å; I57-A295 HydrophobicContact CG2-CB 4.06Å; I57-A295 WeakPolarHBondContact CG2-O 3.44Å; A295-L298 WeakPolarHBondContact O-CB 3.33Å; A295-L298 PolarHBondContact O-N 3.45Å; A295-M299 WeakPolarHBondContact O-CB 3.39Å; A295-M299 PolarHBondContact O-N 3.15Å; A295-P315 HydrophobicContact CB-CB 3.85Å; A295-P315 HydrophobicContact CB-CG 4.34Å; A295-L317 HydrophobicContact CB-CD2 3.71Å
296E88Confident82.2Confident5 Ų553 Ų532%0.02327%0.273CS..Hα-helixtrans-62.8-44.6173.5-64.580.8-173.500111.9A15 I61 F294 L298 M299 R300 H365 L369A15-E296 HydrophobicContact CB-CG 4.1Å; I61-E296 HydrophobicContact CG2-CB 3.39Å; I61-E296 HydrophobicContact CG2-CG 3.63Å; F294-E296 PolarHBondContact O-N 3.3Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-M299 PolarHBondContact O-N 3.35Å; E296-R300 WeakPolarHBondContact O-CB 3.38Å; E296-R300 VanDerWaalsContact O-CG 3.3Å; E296-R300 WeakPolarHBondContact O-CG 3.45Å; E296-R300 PolarHBondContact O-N 2.99Å; E296-H365 IonicContact OE1-CD2 4Å; E296-H365 IonicContact OE1-CE1 3.43Å; E296-H365 IonicContact OE1-NE2 3.51Å; E296-H365 PolarHBondContact OE1-NE2 3.12Å; E296-L369 WeakPolarHBondContact OE1-CD1 2.97Å
297D85.4Confident80.7Confident62 Ų6258 Ų5833%0.33230%0.295SS..Hα-helixtrans-64.1-41.6177.4-65-25.1000110.1K11 F294 R300 S301K11-D297 IonicContact NZ-OD2 3.25Å; K11-D297 PolarHBondContact NZ-OD2 2.87Å; F294-D297 HydrophobicContact CB-CB 4.39Å; F294-D297 WeakPolarHBondContact O-CB 3.49Å; F294-D297 PolarHBondContact O-N 2.79Å; D297-R300 IonicContact OD1-NH1 2.69Å; D297-R300 PolarHBondContact OD1-NH1 3.34Å; D297-S301 PolarHBondContact O-N 3.46Å; D297-S301 VanDerWaalsContact O-N 3.11Å
298L87.1Confident78.9Confident29 Ų2961.1 Ų61.115%0.15231%0.311CS..Hα-helixtrans-62-47.3173.4-64.7176.7000111.5P293 F294 A295 E296 S301 V302 A313P293-L298 HydrophobicContact CB-CD2 3.73Å; P293-L298 HydrophobicContact CB-CG 3.91Å; P293-L298 HydrophobicContact CG-CD2 3.96Å; F294-L298 PolarHBondContact O-N 2.99Å; A295-L298 WeakPolarHBondContact O-CB 3.33Å; A295-L298 PolarHBondContact O-N 3.45Å; E296-L298 VanDerWaalsContact C-N 3.33Å; L298-S301 WeakPolarHBondContact O-CB 3.45Å; L298-S301 PolarHBondContact O-N 3.48Å; L298-V302 WeakPolarHBondContact O-CG2 3.33Å; L298-V302 PolarHBondContact O-N 3.21Å; L298-A313 HydrophobicContact CD2-CB 3.95Å
299M88.3Confident76.9Confident3 Ų364.4 Ų64.42%0.01533%0.334CS..Hα-helixtrans-64.2-43.5-178.7-174.561.170.300111.9F28 L54 I57 A58 I61 A295 E296 S301 V302 L303F28-M299 HydrophobicContact CE1-CE 4.37Å; F28-M299 HydrophobicContact CZ-CE 4.37Å; F28-M299 HydrophobicContact CZ-SD 4.3Å; L54-M299 HydrophobicContact CB-CE 3.94Å; L54-M299 HydrophobicContact CD2-CE 4.03Å; L54-M299 VanDerWaalsContact O-CE 3.29Å; L54-M299 WeakPolarHBondContact O-CE 3.2Å; I57-M299 HydrophobicContact CB-CE 4.06Å; I57-M299 HydrophobicContact CG2-CB 3.5Å; I57-M299 HydrophobicContact CG2-CE 4.07Å; I57-M299 HydrophobicContact CG2-CG 4.01Å; A58-M299 HydrophobicContact CB-CG 4.24Å; A58-M299 HydrophobicContact CB-SD 4.46Å; I61-M299 HydrophobicContact CD1-CB 4.05Å; I61-M299 HydrophobicContact CD1-CG 3.67Å; A295-M299 WeakPolarHBondContact O-CB 3.39Å; A295-M299 PolarHBondContact O-N 3.15Å; E296-M299 PolarHBondContact O-N 3.35Å; M299-S301 VanDerWaalsContact C-N 3.27Å; M299-S301 PolarHBondContact O-N 3.48Å; M299-V302 PolarHBondContact O-N 3.4Å; M299-L303 HydrophobicContact CG-CD1 3.9Å; M299-L303 HydrophobicContact CG-CG 4.21Å; M299-L303 WeakPolarHBondContact O-CB 3.34Å; M299-L303 WeakPolarHBondContact O-CG 3.19Å; M299-L303 PolarHBondContact O-N 2.92Å; M299-L303 HydrophobicContact SD-CD1 4.02Å; M299-L303 HydrophobicContact SD-CD2 4.3Å; M299-L303 HydrophobicContact SD-CG 3.9Å
300R86.2Confident75.1Confident56 Ų5668.1 Ų68.121%0.21136%0.359CS..Hα-helixtrans-57.3-42.4173.4-72.1177.5-163.61101.5111.3I61 E296 D297 R304I61-R300 HydrophobicContact CB-CG 4.2Å; I61-R300 HydrophobicContact CD1-CB 4.44Å; I61-R300 HydrophobicContact CD1-CG 3.6Å; I61-R300 HydrophobicContact CG1-CG 4.49Å; I61-R300 HydrophobicContact CG2-CG 4.2Å; E296-R300 WeakPolarHBondContact O-CB 3.38Å; E296-R300 VanDerWaalsContact O-CG 3.3Å; E296-R300 WeakPolarHBondContact O-CG 3.45Å; E296-R300 PolarHBondContact O-N 2.99Å; D297-R300 IonicContact OD1-NH1 2.69Å; D297-R300 PolarHBondContact OD1-NH1 3.34Å; R300-R304 WeakPolarHBondContact O-CB 3.16Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.39Å; R300-R304 PolarHBondContact O-N 3.2Å
301S83.5Confident73.7Confident79 Ų7966.6 Ų66.655%0.55236%0.356SS*.Hα-helixtrans-64.8-43177-172.40000112.1D297 L298 M299 S305D297-S301 PolarHBondContact O-N 3.46Å; D297-S301 VanDerWaalsContact O-N 3.11Å; L298-S301 WeakPolarHBondContact O-CB 3.45Å; L298-S301 PolarHBondContact O-N 3.48Å; M299-S301 VanDerWaalsContact C-N 3.27Å; M299-S301 PolarHBondContact O-N 3.48Å; S301-S305 VanDerWaalsContact O-CB 3.28Å; S301-S305 WeakPolarHBondContact O-CB 3.44Å; S301-S305 PolarHBondContact O-N 2.98Å
302V83.4Confident73.7Confident19 Ų1966.2 Ų66.212%0.11535%0.349CS..Hα-helixtrans-64.5-47.4179.4167.10000110.8I154 L298 M299 R304 S305 F312I154-V302 HydrophobicContact CD1-CG1 3.61Å; I154-V302 HydrophobicContact CG2-CG1 4.14Å; L298-V302 WeakPolarHBondContact O-CG2 3.33Å; L298-V302 PolarHBondContact O-N 3.21Å; M299-V302 PolarHBondContact O-N 3.4Å; V302-R304 PolarHBondContact O-N 2.84Å; V302-S305 PolarHBondContact O-N 3.26Å; V302-F312 HydrophobicContact CG1-CD2 3.79Å; V302-F312 HydrophobicContact CG1-CE2 3.93Å; V302-F312 HydrophobicContact CG2-CD2 4Å; V302-F312 HydrophobicContact CG2-CE2 4.18Å
303L82.6Confident73.8Confident22 Ų2264.3 Ų64.312%0.11535%0.348CS..Hα-helixtrans-73.1-25.2-177.6-64.6179.8000113.7V26 A58 I61 V63 V126 V128 I154 M299 T306V26-L303 HydrophobicContact CG1-CD2 4.03Å; V26-L303 HydrophobicContact CG2-CD1 4.39Å; V26-L303 HydrophobicContact CG2-CD2 4.29Å; A58-L303 HydrophobicContact CB-CD1 4.46Å; I61-L303 HydrophobicContact CD1-CD1 4.09Å; V63-L303 HydrophobicContact CG2-CD1 3.96Å; V126-L303 HydrophobicContact CG1-CD2 4.26Å; V128-L303 HydrophobicContact CG2-CD2 4.31Å; I154-L303 HydrophobicContact CD1-CD2 4.24Å; M299-L303 HydrophobicContact CG-CD1 3.9Å; M299-L303 HydrophobicContact CG-CG 4.21Å; M299-L303 WeakPolarHBondContact O-CB 3.34Å; M299-L303 WeakPolarHBondContact O-CG 3.19Å; M299-L303 PolarHBondContact O-N 2.92Å; M299-L303 HydrophobicContact SD-CD1 4.02Å; M299-L303 HydrophobicContact SD-CD2 4.3Å; M299-L303 HydrophobicContact SD-CG 3.9Å; L303-T306 WeakPolarHBondContact O-CG2 3.32Å
304R79.7Confident73.9Confident180 Ų18062.7 Ų62.768%0.67934%0.335SS*.Hα-helixtrans-77.8-26.6172.2-74.3175.6179.5177.20.3112.8R300 V302 T306R300-R304 WeakPolarHBondContact O-CB 3.16Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.39Å; R300-R304 PolarHBondContact O-N 3.2Å; V302-R304 PolarHBondContact O-N 2.84Å; R304-T306 VanDerWaalsContact C-N 3.26Å; R304-T306 PolarHBondContact O-N 2.88Å; R304-T306 VanDerWaalsContact O-N 3.1Å
305S71.5Confident74Confident47 Ų4762.4 Ų62.433%0.32934%0.335SS..  trans-88.259.7-177.2-176.30000111.4S301 V302 K307 C309S301-S305 VanDerWaalsContact O-CB 3.28Å; S301-S305 WeakPolarHBondContact O-CB 3.44Å; S301-S305 PolarHBondContact O-N 2.98Å; V302-S305 PolarHBondContact O-N 3.26Å; S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.29Å; S305-C309 WeakPolarHBondContact OG-CB 3.38Å
306T58.2Low74.2Confident56 Ų5664.4 Ų64.434%0.34434%0.342SS..THydrogen-bonded Turntrans-76.8-10.3-173.249.90000115V126 S152 L303 R304V126-T306 HydrophobicContact CG2-CG2 3.68Å; S152-T306 WeakPolarHBondContact OG-CB 3.28Å; S152-T306 WeakPolarHBondContact OG-CG2 3.45Å; S152-T306 PolarHBondContact OG-O 3.41Å; L303-T306 WeakPolarHBondContact O-CG2 3.32Å; R304-T306 VanDerWaalsContact C-N 3.26Å; R304-T306 PolarHBondContact O-N 2.88Å; R304-T306 VanDerWaalsContact O-N 3.1Å
307K54.8Low74.5Confident178 Ų17864.3 Ų64.377%0.77434%0.342SS*.THydrogen-bonded Turntrans-109.4-34.3-171-64.6-170.8177.5-176.90115.7S305S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.29Å
308D50.8Low75.1Confident148 Ų14861.5 Ų61.579%0.79133%0.326SS*.THydrogen-bonded Turntrans-149.521-167-67.8-61.8000117P310D308-P310 WeakPolarHBondContact O-CD 3.48Å
309C45.9Very low75.4Confident75 Ų7561.6 Ų61.651%0.50733%0.327SS..  trans-101.9104.3177.7-165.50000113.1S305 L311S305-C309 WeakPolarHBondContact OG-CB 3.38Å; C309-L311 PolarHBondContact O-N 3.47Å
310P49.5Very low75.7Confident107 Ų10762.2 Ų62.270%0.69533%0.33SS*.  trans-75.2-2.5178.628.6-34.2000114.3D308D308-P310 WeakPolarHBondContact O-CD 3.48Å
311L55Low76.2Confident123 Ų12359.6 Ų59.664%0.64432%0.32SS*.  trans-121.691.3-171.4-68168.9000111.1C309 A313C309-L311 PolarHBondContact O-N 3.47Å; L311-A313 PolarHBondContact O-N 3.37Å; L311-A313 VanDerWaalsContact O-N 3.13Å
312F71.4Confident76.8Confident31 Ų3156.1 Ų56.114%0.13630%0.296CS..  trans-60.3111.7166.5179.6-101.2000110.2L54 I154 V156 V302 E314L54-F312 HydrophobicContact CD1-CE1 3.99Å; L54-F312 HydrophobicContact CD1-CE2 4.13Å; L54-F312 HydrophobicContact CD1-CZ 3.42Å; L54-F312 VanDerWaalsContact CD1-CZ 3.42Å; L54-F312 HydrophobicContact CD2-CE1 4.21Å; L54-F312 HydrophobicContact CD2-CZ 3.54Å; L54-F312 HydrophobicContact CG-CZ 4.1Å; I154-F312 HydrophobicContact CG2-CD2 4.23Å; V156-F312 HydrophobicContact CB-CD1 4.45Å; V156-F312 HydrophobicContact CG1-CD1 3.81Å; V156-F312 HydrophobicContact CG1-CE1 3.92Å; V156-F312 HydrophobicContact CG1-CG 4.46Å; V156-F312 HydrophobicContact CG2-CB 4.27Å; V156-F312 HydrophobicContact CG2-CD1 3.82Å; V156-F312 HydrophobicContact CG2-CD2 3.76Å; V156-F312 HydrophobicContact CG2-CE1 4.06Å; V156-F312 HydrophobicContact CG2-CE2 4.03Å; V156-F312 HydrophobicContact CG2-CG 3.66Å; V156-F312 HydrophobicContact CG2-CZ 4.18Å; V302-F312 HydrophobicContact CG1-CD2 3.79Å; V302-F312 HydrophobicContact CG1-CE2 3.93Å; V302-F312 HydrophobicContact CG2-CD2 4Å; V302-F312 HydrophobicContact CG2-CE2 4.18Å; F312-E314 HydrophobicContact CD1-CB 4.21Å; F312-E314 HydrophobicContact CE1-CB 3.99Å; F312-E314 HydrophobicContact CE1-CG 4.38Å; F312-E314 PolarHBondContact O-N 3.45Å
313A74.7Confident77.4Confident46 Ų4659.2 Ų59.238%0.3831%0.309SS..  trans-78.197.5173.400000109.5L298 L311 P315L298-A313 HydrophobicContact CD2-CB 3.95Å; L311-A313 PolarHBondContact O-N 3.37Å; L311-A313 VanDerWaalsContact O-N 3.13Å; A313-P315 WeakPolarHBondContact O-CD 3.37Å
314E83.3Confident78Confident33 Ų3358.7 Ų58.715%0.15431%0.306CS..  trans-65.6124.7-177.2-177.7-165.5175.400112.2L50 R217 A218 F312 R316L50-E314 HydrophobicContact CD1-CG 4.44Å; R217-E314 WeakPolarHBondContact CA-OE2 3.39Å; A218-E314 HydrophobicContact CB-CG 4.23Å; A218-E314 WeakPolarHBondContact CB-OE1 3.27Å; A218-E314 WeakPolarHBondContact CB-OE2 3.16Å; A218-E314 PolarHBondContact N-OE1 2.96Å; A218-E314 PolarHBondContact N-OE2 3.36Å; F312-E314 HydrophobicContact CD1-CB 4.21Å; F312-E314 HydrophobicContact CE1-CB 3.99Å; F312-E314 HydrophobicContact CE1-CG 4.38Å; F312-E314 PolarHBondContact O-N 3.45Å; E314-R316 PolarHBondContact O-N 3.25Å
315P86.4Confident78.8Confident10 Ų1050.1 Ų50.17%0.06527%0.274CS..  trans-59121.5169.1-24.135.3000111.9L54 I57 A295 A313 L317L54-P315 HydrophobicContact CD2-CG 3.91Å; I57-P315 HydrophobicContact CD1-CB 3.67Å; I57-P315 HydrophobicContact CD1-CG 3.59Å; A295-P315 HydrophobicContact CB-CB 3.85Å; A295-P315 HydrophobicContact CB-CG 4.34Å; A313-P315 WeakPolarHBondContact O-CD 3.37Å; P315-L317 HydrophobicContact CB-CG 4.42Å; P315-L317 PolarHBondContact O-N 3.03Å
316R92.5Very high79.9Confident43 Ų4351.6 Ų51.616%0.16228%0.278CS..  trans-10051.5-177.1-64.9-63.6-58.4-74.4-0.5112.8L215 R217 E314 C318 L319 Q320L215-R316 PolarHBondContact O-NH2 3.17Å; R217-R316 VanDerWaalsContact CG-NH1 3.32Å; E314-R316 PolarHBondContact O-N 3.25Å; R316-C318 PolarHBondContact O-N 3.38Å; R316-L319 HydrophobicContact CB-CB 4.04Å; R316-L319 HydrophobicContact CB-CD2 4.4Å; R316-L319 WeakPolarHBondContact O-CB 3Å; R316-L319 PolarHBondContact O-N 3.2Å; R316-Q320 PolarHBondContact O-N 3.12Å
317L95Very high81.7Confident4 Ų450.5 Ų50.52%0.02127%0.273CS..Hα-helixtrans-58.7-44.3-172.4-58.9-170.4000113.9I57 A295 P315 L319 Q320 L321 L366 L369 L370I57-L317 HydrophobicContact CD1-CD1 4.34Å; A295-L317 HydrophobicContact CB-CD2 3.71Å; P315-L317 HydrophobicContact CB-CG 4.42Å; P315-L317 PolarHBondContact O-N 3.03Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.02Å; L317-Q320 VanDerWaalsContact CD2-OE1 3.23Å; L317-Q320 PolarHBondContact O-N 3.29Å; L317-L321 PolarHBondContact O-N 3.26Å; L317-L366 HydrophobicContact CD2-CD2 3.87Å; L317-L369 HydrophobicContact CD1-CB 3.56Å; L317-L369 HydrophobicContact CD1-CD1 3.95Å; L317-L369 HydrophobicContact CD1-CG 4.45Å; L317-L370 HydrophobicContact CB-CD1 4.02Å; L317-L370 HydrophobicContact CB-CD2 4.03Å; L317-L370 HydrophobicContact CB-CG 4.04Å; L317-L370 HydrophobicContact CD1-CD2 4.21Å; L317-L370 HydrophobicContact CD1-CG 3.99Å
318C96.5Very high83.6Confident2 Ų242 Ų421%0.01424%0.236CC..Hα-helixtrans-62-34.4176.3-68.70000112.4F211 L215 R316 A322F211-C318 HydrophobicContact CD1-CB 4.04Å; F211-C318 HydrophobicContact CE1-CB 3.93Å; F211-C318 VanDerWaalsContact CE1-O 3.31Å; F211-C318 WeakPolarHBondContact CE1-O 3.37Å; F211-C318 HydrophobicContact CG-CB 4.4Å; F211-C318 HydrophobicContact CZ-CB 4.18Å; L215-C318 HydrophobicContact CB-CB 4.17Å; L215-C318 HydrophobicContact CD1-CB 3.91Å; R316-C318 PolarHBondContact O-N 3.38Å; C318-A322 VanDerWaalsContact O-CB 3.28Å; C318-A322 WeakPolarHBondContact O-CB 3.47Å; C318-A322 PolarHBondContact O-N 3.06Å; C318-A322 VanDerWaalsContact O-N 3.07Å
319L95.2Very high85.8Confident32 Ų3235.5 Ų35.517%0.16820%0.202CC..Hα-helixtrans-70.2-48.1177.1-176.966.3000110.3L215 R316 L317 L321 A322 E323L215-L319 HydrophobicContact CD1-CB 4.21Å; L215-L319 HydrophobicContact CD1-CD1 4.32Å; R316-L319 HydrophobicContact CB-CB 4.04Å; R316-L319 HydrophobicContact CB-CD2 4.4Å; R316-L319 WeakPolarHBondContact O-CB 3Å; R316-L319 PolarHBondContact O-N 3.2Å; L317-L319 VanDerWaalsContact C-N 3.26Å; L317-L319 PolarHBondContact O-N 3.02Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 3.22Å; L319-A322 PolarHBondContact O-N 3.48Å; L319-A322 VanDerWaalsContact O-N 3.14Å; L319-E323 HydrophobicContact CD1-CG 4.05Å; L319-E323 WeakPolarHBondContact CD1-OE1 3.26Å; L319-E323 HydrophobicContact CG-CG 4.25Å; L319-E323 WeakPolarHBondContact O-CB 3.31Å; L319-E323 WeakPolarHBondContact O-CG 3.43Å; L319-E323 PolarHBondContact O-N 3.4Å
320Q94.5Very high88.1Confident16 Ų1637.8 Ų37.88%0.07520%0.203CC..Hα-helixtrans-53.8-49.9176.6-71.8173.3-29.100111.2Q292 R316 L317 A322 F324 W362 L366Q292-Q320 HydrophobicContact CB-CG 4.44Å; Q292-Q320 HydrophobicContact CG-CG 4.32Å; R316-Q320 PolarHBondContact O-N 3.12Å; L317-Q320 VanDerWaalsContact CD2-OE1 3.23Å; L317-Q320 PolarHBondContact O-N 3.29Å; Q320-A322 PolarHBondContact O-N 3.2Å; Q320-F324 VanDerWaalsContact O-CB 3.24Å; Q320-F324 WeakPolarHBondContact O-CB 3.35Å; Q320-F324 PolarHBondContact O-N 3.28Å; Q320-W362 HydrophobicContact CB-CZ2 4.46Å; Q320-L366 HydrophobicContact CB-CD1 4.48Å
321L96.5Very high90.1Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-61.3-43.3177.8-76.8167.8000112.4F211 V242 L317 L319 S325 W362 M363 L366 F367 L370F211-L321 HydrophobicContact CZ-CB 4.11Å; F211-L321 HydrophobicContact CZ-CD1 4.24Å; V242-L321 HydrophobicContact CG1-CB 3.94Å; V242-L321 HydrophobicContact CG1-CD1 4.38Å; V242-L321 HydrophobicContact CG1-CD2 4.19Å; V242-L321 HydrophobicContact CG1-CG 4.41Å; V242-L321 HydrophobicContact CG2-CB 4Å; L317-L321 PolarHBondContact O-N 3.26Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 3.22Å; L321-S325 VanDerWaalsContact O-CB 3.24Å; L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3.22Å; L321-S325 PolarHBondContact O-OG 3.32Å; L321-W362 HydrophobicContact CD2-CH2 4.39Å; L321-W362 HydrophobicContact CD2-CZ3 4.36Å; L321-M363 HydrophobicContact CD2-CB 4.44Å; L321-M363 HydrophobicContact CD2-CE 4.11Å; L321-M363 HydrophobicContact CD2-CG 4.18Å; L321-L366 HydrophobicContact CD1-CB 4.07Å; L321-L366 HydrophobicContact CD1-CD1 4.48Å; L321-L366 HydrophobicContact CD2-CB 4.14Å; L321-L366 HydrophobicContact CD2-CD1 3.91Å; L321-L366 HydrophobicContact CG-CB 4.21Å; L321-L366 HydrophobicContact CG-CD1 3.82Å; L321-F367 HydrophobicContact CD1-CD1 3.98Å; L321-F367 HydrophobicContact CD1-CE1 3.86Å; L321-F367 HydrophobicContact CD2-CE1 4.03Å; L321-L370 HydrophobicContact CD1-CD1 3.66Å
322A96.4Very high92Very high6 Ų631.3 Ų31.35%0.0516%0.159CC..Hα-helixtrans-67.1-44.2-179.300000112.4F211 L215 R238 C318 L319 Q320 S325 N326F211-A322 HydrophobicContact CE1-CB 4.33Å; L215-A322 HydrophobicContact CD1-CB 4.41Å; R238-A322 HydrophobicContact CB-CB 4.41Å; C318-A322 VanDerWaalsContact O-CB 3.28Å; C318-A322 WeakPolarHBondContact O-CB 3.47Å; C318-A322 PolarHBondContact O-N 3.06Å; C318-A322 VanDerWaalsContact O-N 3.07Å; L319-A322 PolarHBondContact O-N 3.48Å; L319-A322 VanDerWaalsContact O-N 3.14Å; Q320-A322 PolarHBondContact O-N 3.2Å; A322-S325 PolarHBondContact O-N 3.03Å; A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 3.09Å
323E94.8Very high93Very high85 Ų8535.9 Ų35.940%0.39719%0.185SC..Hα-helixtrans-67.8-42178.7-72178.5167.800111.8L319 N326 S327L319-E323 HydrophobicContact CD1-CG 4.05Å; L319-E323 WeakPolarHBondContact CD1-OE1 3.26Å; L319-E323 HydrophobicContact CG-CG 4.25Å; L319-E323 WeakPolarHBondContact O-CB 3.31Å; L319-E323 WeakPolarHBondContact O-CG 3.43Å; L319-E323 PolarHBondContact O-N 3.4Å; E323-N326 PolarHBondContact O-N 3.02Å; E323-S327 PolarHBondContact O-N 2.81Å; E323-S327 PolarHBondContact O-OG 3.33Å
324F95.8Very high93.8Very high10 Ų1041.6 Ų41.64%0.04420%0.201CC..Hα-helixtrans-58.1-51.7170.6169.8-96.4000111I249 L284 I288 Q320 N326 S327 F328 I359 W362 M363I249-F324 HydrophobicContact CD1-CE1 4.34Å; L284-F324 HydrophobicContact CB-CE2 4.35Å; L284-F324 HydrophobicContact CD2-CE2 4.4Å; I288-F324 HydrophobicContact CD1-CD2 3.75Å; I288-F324 HydrophobicContact CD1-CE2 3.8Å; I288-F324 HydrophobicContact CG1-CD2 3.76Å; I288-F324 HydrophobicContact CG1-CE2 4.29Å; Q320-F324 VanDerWaalsContact O-CB 3.24Å; Q320-F324 WeakPolarHBondContact O-CB 3.35Å; Q320-F324 PolarHBondContact O-N 3.28Å; F324-N326 VanDerWaalsContact C-N 3.25Å; F324-N326 PolarHBondContact O-N 2.96Å; F324-S327 CarbonylContact O-C 3.58Å; F324-S327 WeakPolarHBondContact O-CA 3.32Å; F324-S327 WeakPolarHBondContact O-CB 3.36Å; F324-S327 PolarHBondContact O-N 3.23Å; F324-F328 HydrophobicContact CE1-CB 3.92Å; F324-F328 HydrophobicContact CE1-CG 4.38Å; F324-F328 HydrophobicContact CE2-CB 4.31Å; F324-F328 HydrophobicContact CZ-CB 3.73Å; F324-F328 HydrophobicContact CZ-CD2 4.32Å; F324-F328 HydrophobicContact CZ-CG 4.15Å; F324-F328 WeakPolarHBondContact O-CB 3.44Å; F324-F328 PolarHBondContact O-N 2.94Å; F324-I359 HydrophobicContact CE1-CG2 3.72Å; F324-I359 HydrophobicContact CE2-CD1 3.96Å; F324-I359 HydrophobicContact CE2-CG1 4.28Å; F324-I359 HydrophobicContact CE2-CG2 4Å; F324-I359 HydrophobicContact CZ-CB 4.38Å; F324-I359 HydrophobicContact CZ-CD1 3.95Å; F324-I359 HydrophobicContact CZ-CG1 4.27Å; F324-I359 HydrophobicContact CZ-CG2 3.24Å; F324-W362 HydrophobicContact CB-CH2 3.66Å; F324-W362 HydrophobicContact CB-CZ3 3.83Å; F324-W362 HydrophobicContact CD1-CH2 4.33Å; F324-W362 AromaticContact CD1-CZ3 3.63Å; F324-W362 HydrophobicContact CD1-CZ3 3.63Å; F324-W362 HydrophobicContact CD2-CH2 4.4Å; F324-W362 AromaticContact CD2-CZ3 3.95Å; F324-W362 HydrophobicContact CD2-CZ3 3.95Å; F324-W362 HydrophobicContact CE1-CZ3 4.26Å; F324-W362 AromaticContact CG-CH2 3.85Å; F324-W362 HydrophobicContact CG-CH2 3.85Å; F324-W362 AromaticContact CG-CZ3 3.47Å; F324-W362 HydrophobicContact CG-CZ3 3.47Å; F324-W362 VanDerWaalsContact CG-CZ3 3.47Å; F324-M363 HydrophobicContact CD1-SD 4.25Å; F324-M363 HydrophobicContact CE1-CG 4.47Å; F324-M363 HydrophobicContact CE1-SD 3.81Å
325S96.5Very high94.1Very high0 Ų041.3 Ų41.30%020%0.201CC..Hα-helixtrans-59.7-36.8-177.2-65.80000112.4V242 N245 L321 A322 S329V242-S325 WeakPolarHBondContact CG2-OG 3.37Å; N245-S325 PolarHBondContact ND2-O 3.24Å; L321-S325 VanDerWaalsContact O-CB 3.24Å; L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3.22Å; L321-S325 PolarHBondContact O-OG 3.32Å; A322-S325 PolarHBondContact O-N 3.03Å; S325-S329 WeakPolarHBondContact O-CB 3.34Å; S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 PolarHBondContact O-OG 2.95Å
326N95.2Very high94.3Very high78 Ų7846.9 Ų46.942%0.41723%0.226SC..Hα-helixtrans-63.4-45.7172.7-174.334.9000111.7A322 E323 F324 K330A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 3.09Å; E323-N326 PolarHBondContact O-N 3.02Å; F324-N326 VanDerWaalsContact C-N 3.25Å; F324-N326 PolarHBondContact O-N 2.96Å; N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 2.9Å
327S94.6Very high94.3Very high33 Ų3345.3 Ų45.323%0.23122%0.221CC..Hα-helixtrans-64.4-45.8178-58.10000111.9E323 F324 S329 K330 V331E323-S327 PolarHBondContact O-N 2.81Å; E323-S327 PolarHBondContact O-OG 3.33Å; F324-S327 CarbonylContact O-C 3.58Å; F324-S327 WeakPolarHBondContact O-CA 3.32Å; F324-S327 WeakPolarHBondContact O-CB 3.36Å; F324-S327 PolarHBondContact O-N 3.23Å; S327-S329 PolarHBondContact O-N 3.09Å; S327-K330 WeakPolarHBondContact O-CB 3.29Å; S327-K330 PolarHBondContact O-N 3.29Å; S327-V331 PolarHBondContact O-N 2.89Å
328F95.8Very high94.3Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-60.6-47178173.4-105.6000111.9N245 I249 L284 F324 K330 V331 Y332 L356N245-F328 HydrophobicContact CB-CD1 4.05Å; N245-F328 HydrophobicContact CB-CE1 4.42Å; N245-F328 WeakPolarHBondContact OD1-CD1 3.08Å; I249-F328 HydrophobicContact CD1-CD1 4.17Å; I249-F328 HydrophobicContact CD1-CD2 4.32Å; I249-F328 HydrophobicContact CD1-CE1 3.92Å; I249-F328 HydrophobicContact CD1-CE2 4.11Å; I249-F328 HydrophobicContact CD1-CG 4.36Å; I249-F328 HydrophobicContact CD1-CZ 3.9Å; I249-F328 HydrophobicContact CG1-CD1 4.41Å; I249-F328 HydrophobicContact CG1-CE1 3.66Å; I249-F328 HydrophobicContact CG1-CE2 3.95Å; I249-F328 HydrophobicContact CG1-CZ 3.4Å; L284-F328 HydrophobicContact CD1-CD2 3.92Å; L284-F328 HydrophobicContact CD2-CB 4.4Å; F324-F328 HydrophobicContact CE1-CB 3.92Å; F324-F328 HydrophobicContact CE1-CG 4.38Å; F324-F328 HydrophobicContact CE2-CB 4.31Å; F324-F328 HydrophobicContact CZ-CB 3.73Å; F324-F328 HydrophobicContact CZ-CD2 4.32Å; F324-F328 HydrophobicContact CZ-CG 4.15Å; F324-F328 WeakPolarHBondContact O-CB 3.44Å; F324-F328 PolarHBondContact O-N 2.94Å; F328-K330 VanDerWaalsContact C-N 3.28Å; F328-K330 PolarHBondContact O-N 2.94Å; F328-V331 PolarHBondContact O-N 3.19Å; F328-V331 VanDerWaalsContact O-N 3.1Å; F328-Y332 HydrophobicContact CZ-CD2 4.03Å; F328-Y332 HydrophobicContact CZ-CG 4.43Å; F328-Y332 WeakPolarHBondContact O-CB 3.3Å; F328-Y332 PolarHBondContact O-N 2.83Å; F328-L356 HydrophobicContact CE2-CD2 3.78Å; F328-L356 HydrophobicContact CZ-CD2 4.38Å
329S95.3Very high94.1Very high12 Ų1246.6 Ų46.68%0.08423%0.228CC..Hα-helixtrans-59.2-37.5178.1-81.60000112.9F241 N245 S325 S327 N333F241-S329 WeakPolarHBondContact CE2-OG 3.5Å; F241-S329 WeakPolarHBondContact CZ-OG 3.48Å; N245-S329 PolarHBondContact ND2-OG 3.39Å; N245-S329 VanDerWaalsContact ND2-OG 3.16Å; N245-S329 PolarHBondContact OD1-OG 3.24Å; S325-S329 WeakPolarHBondContact O-CB 3.34Å; S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 PolarHBondContact O-OG 2.95Å; S327-S329 PolarHBondContact O-N 3.09Å; S329-N333 PolarHBondContact O-N 2.81Å; S329-N333 VanDerWaalsContact O-N 3.12Å; S329-N333 PolarHBondContact O-ND2 3.33Å; S329-N333 PolarHBondContact O-OD1 3.09Å
330K94.3Very high93.8Very high123 Ų12349.4 Ų49.454%0.53525%0.249SC..Hα-helixtrans-63.7-40.7174.9-70.2170.8-177.5178.90112.4N326 S327 F328N326-K330 WeakPolarHBondContact O-CG 3.32Å; N326-K330 PolarHBondContact O-N 2.9Å; S327-K330 WeakPolarHBondContact O-CB 3.29Å; S327-K330 PolarHBondContact O-N 3.29Å; F328-K330 VanDerWaalsContact C-N 3.28Å; F328-K330 PolarHBondContact O-N 2.94Å
331V93.3Very high93.4Very high15 Ų1555.5 Ų55.59%0.09127%0.271CS..Hα-helixtrans-70.4-46.8177.2175.10000110.7Q280 F281 L284 S327 F328 N333 K334 V335Q280-V331 HydrophobicContact CB-CG1 4.09Å; Q280-V331 HydrophobicContact CB-CG2 4.31Å; F281-V331 HydrophobicContact CD2-CG1 3.84Å; F281-V331 HydrophobicContact CE2-CG1 3.52Å; F281-V331 HydrophobicContact CZ-CG1 4.08Å; L284-V331 HydrophobicContact CD1-CB 4.26Å; L284-V331 HydrophobicContact CD1-CG1 4.25Å; L284-V331 HydrophobicContact CD1-CG2 4.27Å; L284-V331 HydrophobicContact CD2-CG2 3.99Å; L284-V331 HydrophobicContact CG-CG2 4.16Å; S327-V331 PolarHBondContact O-N 2.89Å; F328-V331 PolarHBondContact O-N 3.19Å; F328-V331 VanDerWaalsContact O-N 3.1Å; V331-N333 VanDerWaalsContact C-N 3.28Å; V331-N333 PolarHBondContact O-N 3.38Å; V331-K334 PolarHBondContact O-N 3.46Å; V331-V335 HydrophobicContact CG1-CG2 4.25Å; V331-V335 PolarHBondContact O-N 3.04Å
332Y93.6Very high93Very high79 Ų7958.1 Ų58.131%0.3129%0.289SS..Hα-helixtrans-56.5-41-179.4-178.8-93.4000112.5R248 I252 F328 K334 I337R248-Y332 HydrophobicContact CG-CE2 4.19Å; I252-Y332 HydrophobicContact CD1-CD2 4.25Å; I252-Y332 HydrophobicContact CD1-CE2 3.58Å; F328-Y332 HydrophobicContact CZ-CD2 4.03Å; F328-Y332 HydrophobicContact CZ-CG 4.43Å; F328-Y332 WeakPolarHBondContact O-CB 3.3Å; F328-Y332 PolarHBondContact O-N 2.83Å; Y332-K334 PolarHBondContact O-N 2.98Å; Y332-I337 HydrophobicContact CD2-CD1 3.75Å; Y332-I337 HydrophobicContact CD2-CG1 4.44Å; Y332-I337 HydrophobicContact CE2-CD1 4.12Å
333N92.5Very high92.5Very high127 Ų12762.8 Ų62.868%0.67931%0.313SS*.THydrogen-bonded Turntrans-67.1-18179.6-70.6-10.5000113.9S329 V331S329-N333 PolarHBondContact O-N 2.81Å; S329-N333 VanDerWaalsContact O-N 3.12Å; S329-N333 PolarHBondContact O-ND2 3.33Å; S329-N333 PolarHBondContact O-OD1 3.09Å; V331-N333 VanDerWaalsContact C-N 3.28Å; V331-N333 PolarHBondContact O-N 3.38Å
334K92Very high92.3Very high166 Ų16663.3 Ų63.372%0.72232%0.317SS*.THydrogen-bonded Turntrans-107.1-22.9-176.5-65.7-178.7179.7-175.60113.4V331 Y332V331-K334 PolarHBondContact O-N 3.46Å; Y332-K334 PolarHBondContact O-N 2.98Å
335V89.5Confident92.2Very high26 Ų2664 Ų6416%0.15832%0.322CS..  trans-122.1116.3-168.8-177.10000110.2F281 V331 I337 K352F281-V335 HydrophobicContact CD2-CG1 4.39Å; F281-V335 HydrophobicContact CE2-CB 3.96Å; F281-V335 HydrophobicContact CE2-CG1 3.67Å; F281-V335 HydrophobicContact CE2-CG2 4.46Å; V331-V335 HydrophobicContact CG1-CG2 4.25Å; V331-V335 PolarHBondContact O-N 3.04Å; V335-I337 PolarHBondContact O-N 3.3Å; V335-K352 HydrophobicContact CG1-CD 4.41Å
336Q90.9Very high91.9Very high128 Ų12867.6 Ų67.660%0.59834%0.344SS*.  trans-64.4122.7167.5-175.4171.711.300109.8L338 K352Q336-L338 WeakPolarHBondContact CG-O 3.32Å; Q336-L338 PolarHBondContact NE2-O 3.13Å; Q336-K352 PolarHBondContact O-NZ 2.94Å
337I93.1Very high91.8Very high9 Ų966.6 Ų66.65%0.04634%0.341CS..  trans-87.8-58-179.5-55.6-170.7000110.5I252 F281 Y332 V335 K352 I353 L356I252-I337 HydrophobicContact CD1-CD1 4.04Å; I252-I337 HydrophobicContact CG2-CG2 3.93Å; F281-I337 HydrophobicContact CE1-CD1 3.94Å; F281-I337 HydrophobicContact CE1-CG1 4.43Å; F281-I337 HydrophobicContact CZ-CD1 3.51Å; F281-I337 HydrophobicContact CZ-CG1 3.69Å; Y332-I337 HydrophobicContact CD2-CD1 3.75Å; Y332-I337 HydrophobicContact CD2-CG1 4.44Å; Y332-I337 HydrophobicContact CE2-CD1 4.12Å; V335-I337 PolarHBondContact O-N 3.3Å; I337-K352 HydrophobicContact CG2-CB 4.14Å; I337-K352 HydrophobicContact CG2-CD 4.42Å; I337-I353 HydrophobicContact CG2-CD1 4.39Å; I337-L356 HydrophobicContact CD1-CD1 4.04Å; I337-L356 HydrophobicContact CG2-CD1 3.92Å
338L93.5Very high91.7Very high22 Ų2265.5 Ų65.512%0.11534%0.335CS..SBendtrans-95.8133.7178-65.2-179.7000110.6I252 R255 F256 F261 Q336 V349 I353I252-L338 HydrophobicContact CG2-CD1 4.01Å; I252-L338 HydrophobicContact CG2-CD2 4.41Å; I252-L338 HydrophobicContact CG2-CG 3.97Å; R255-L338 HydrophobicContact CB-CD1 4.12Å; R255-L338 HydrophobicContact CG-CD1 3.93Å; F256-L338 HydrophobicContact CB-CD2 4.22Å; F256-L338 HydrophobicContact CD2-CD2 3.56Å; F256-L338 HydrophobicContact CE2-CD2 4.43Å; F256-L338 HydrophobicContact CG-CD2 4.33Å; F261-L338 HydrophobicContact CE2-CD1 4.49Å; F261-L338 HydrophobicContact CZ-CD2 4.46Å; Q336-L338 WeakPolarHBondContact CG-O 3.32Å; Q336-L338 PolarHBondContact NE2-O 3.13Å; L338-V349 HydrophobicContact CD2-CG1 4.5Å; L338-I353 HydrophobicContact CD2-CD1 3.86Å
339P92.7Very high91.6Very high12 Ų1265.9 Ų65.98%0.07834%0.338CS..  trans-67.6160.6172.129.7-32.4000110.7F261 R341 M344 V345 V349F261-P339 HydrophobicContact CE1-CG 4.06Å; P339-R341 WeakPolarHBondContact CG-O 3.46Å; P339-R341 PolarHBondContact O-N 3.4Å; P339-M344 HydrophobicContact CB-CB 3.86Å; P339-M344 HydrophobicContact CG-CB 4.45Å; P339-V345 HydrophobicContact CG-CG2 3.94Å; P339-V349 HydrophobicContact CG-CG2 4.36Å
340P88.8Confident91.5Very high91 Ų9166.9 Ų66.959%0.59134%0.34SS*.SBendtrans-66-27.9179.427.4-34000112.8M344P340-M344 HydrophobicContact CG-SD 4.01Å
341R87.3Confident91.4Very high144 Ų14461 Ų6154%0.54331%0.314SS..SBendtrans-130152.4-179.4-61.916850.7146.31.1111P339 D343 M344P339-R341 WeakPolarHBondContact CG-O 3.46Å; P339-R341 PolarHBondContact O-N 3.4Å; R341-D343 WeakPolarHBondContact CB-OD1 3.47Å; R341-D343 IonicContact CZ-OD1 3.87Å; R341-D343 IonicContact CZ-OD2 3.41Å; R341-D343 IonicContact NE-OD1 3.08Å; R341-D343 PolarHBondContact NE-OD1 3.38Å; R341-D343 VanDerWaalsContact NE-OD1 3.08Å; R341-D343 IonicContact NE-OD2 3.41Å; R341-D343 PolarHBondContact NE-OD2 2.96Å; R341-D343 IonicContact NH2-OD1 3.82Å; R341-D343 IonicContact NH2-OD2 2.72Å; R341-D343 PolarHBondContact NH2-OD2 3.23Å; R341-M344 HydrophobicContact CB-CG 4.35Å; R341-M344 HydrophobicContact CB-SD 4.34Å; R341-M344 PolarHBondContact O-N 3.08Å
342S86.8Confident91.5Very high55 Ų5561.4 Ų61.439%0.38532%0.315SS..G310 helixtrans-74-23.6-175.2520000114.8L260 M344 V345L260-S342 WeakPolarHBondContact O-CB 3.39Å; L260-S342 PolarHBondContact O-OG 3.5Å; S342-M344 PolarHBondContact O-N 3.49Å; S342-V345 VanDerWaalsContact O-CG2 3.28Å; S342-V345 WeakPolarHBondContact O-CG2 3.43Å
343D87.1Confident91.5Very high103 Ų10357.8 Ų57.855%0.55130%0.301SS*.G310 helixtrans-73.7-11.7173.357.9-18.7000113.2R341R341-D343 WeakPolarHBondContact CB-OD1 3.47Å; R341-D343 IonicContact CZ-OD1 3.87Å; R341-D343 IonicContact CZ-OD2 3.41Å; R341-D343 IonicContact NE-OD1 3.08Å; R341-D343 PolarHBondContact NE-OD1 3.38Å; R341-D343 VanDerWaalsContact NE-OD1 3.08Å; R341-D343 IonicContact NE-OD2 3.41Å; R341-D343 PolarHBondContact NE-OD2 2.96Å; R341-D343 IonicContact NH2-OD1 3.82Å; R341-D343 IonicContact NH2-OD2 2.72Å; R341-D343 PolarHBondContact NH2-OD2 3.23Å
344M90.9Very high91.5Very high97 Ų9753 Ų5348%0.47827%0.274SS..G310 helixtrans-97.714.9179.5-63.1-179.2173.200113.3P339 P340 R341 S342 T346P339-M344 HydrophobicContact CB-CB 3.86Å; P339-M344 HydrophobicContact CG-CB 4.45Å; P340-M344 HydrophobicContact CG-SD 4.01Å; R341-M344 HydrophobicContact CB-CG 4.35Å; R341-M344 HydrophobicContact CB-SD 4.34Å; R341-M344 PolarHBondContact O-N 3.08Å; S342-M344 PolarHBondContact O-N 3.49Å; M344-T346 PolarHBondContact O-N 3.24Å
345V92.2Very high91.6Very high24 Ų2445 Ų4515%0.14524%0.24CC..  trans-69.5115.7177.3177.50000109.6F256 F261 P339 S342 V349 Y350F256-V345 HydrophobicContact CE2-CG1 4.5Å; F256-V345 HydrophobicContact CE2-CG2 4.47Å; F261-V345 HydrophobicContact CD1-CG2 3.43Å; F261-V345 VanDerWaalsContact CD1-CG2 3.43Å; F261-V345 HydrophobicContact CE1-CG2 4.08Å; F261-V345 HydrophobicContact CG-CG2 4.41Å; P339-V345 HydrophobicContact CG-CG2 3.94Å; S342-V345 VanDerWaalsContact O-CG2 3.28Å; S342-V345 WeakPolarHBondContact O-CG2 3.43Å; V345-V349 HydrophobicContact CG1-CB 4.08Å; V345-V349 HydrophobicContact CG1-CG1 4.11Å; V345-Y350 HydrophobicContact CG1-CD1 4.05Å; V345-Y350 HydrophobicContact CG1-CD2 4.07Å; V345-Y350 HydrophobicContact CG1-CE1 3.62Å; V345-Y350 HydrophobicContact CG1-CE2 3.58Å; V345-Y350 HydrophobicContact CG1-CG 4.27Å
346T91.8Very high91.9Very high75 Ų7543.8 Ų43.846%0.4623%0.232SC..  trans-97.2161.617564.30000110.8M344 G348 V349 Y350M344-T346 PolarHBondContact O-N 3.24Å; T346-G348 PolarHBondContact O-N 3.43Å; T346-G348 VanDerWaalsContact O-N 3.07Å; T346-V349 WeakPolarHBondContact O-CA 3.49Å; T346-V349 WeakPolarHBondContact O-CB 3.38Å; T346-V349 PolarHBondContact O-N 2.87Å; T346-Y350 PolarHBondContact O-N 2.92Å
347P92.1Very high92Very high57 Ų5742.9 Ų42.937%0.3722%0.223SC..Hα-helixtrans-49.8-32.1169.1-32.139.3000114.8L270 P271 C274 V349 Y350 F351L270-P347 HydrophobicContact CD2-CB 4.5Å; P271-P347 HydrophobicContact CG-CB 4.25Å; P271-P347 HydrophobicContact CG-CG 4.41Å; C274-P347 VanDerWaalsContact SG-C 3.6Å; C274-P347 WeakPolarHBondContact SG-CB 3.38Å; P347-V349 PolarHBondContact O-N 2.99Å; P347-Y350 PolarHBondContact O-N 3.21Å; P347-F351 PolarHBondContact O-N 2.94Å
348G92.4Very high92.1Very high10 Ų1042.8 Ų42.810%0.10322%0.223CC..Hα-helixtrans-67.3-31.7174.400000114.1T346 K352T346-G348 PolarHBondContact O-N 3.43Å; T346-G348 VanDerWaalsContact O-N 3.07Å; G348-K352 WeakPolarHBondContact O-CG 3.42Å; G348-K352 PolarHBondContact O-N 2.82Å; G348-K352 VanDerWaalsContact O-N 3.13Å
349V93.1Very high92.1Very high8 Ų841.7 Ų41.75%0.04822%0.217CC..Hα-helixtrans-66.7-48.9173.3174.90000109.5F256 L338 P339 V345 T346 P347 F351 K352 I353F256-V349 HydrophobicContact CE2-CG1 4.1Å; L338-V349 HydrophobicContact CD2-CG1 4.5Å; P339-V349 HydrophobicContact CG-CG2 4.36Å; V345-V349 HydrophobicContact CG1-CB 4.08Å; V345-V349 HydrophobicContact CG1-CG1 4.11Å; T346-V349 WeakPolarHBondContact O-CA 3.49Å; T346-V349 WeakPolarHBondContact O-CB 3.38Å; T346-V349 PolarHBondContact O-N 2.87Å; P347-V349 PolarHBondContact O-N 2.99Å; V349-F351 VanDerWaalsContact C-N 3.27Å; V349-F351 PolarHBondContact O-N 3.03Å; V349-K352 PolarHBondContact O-N 2.83Å; V349-K352 VanDerWaalsContact O-N 3.08Å; V349-I353 HydrophobicContact CG1-CG1 4.42Å; V349-I353 WeakPolarHBondContact O-CG1 3.49Å; V349-I353 PolarHBondContact O-N 3.13Å
350Y93.6Very high92.2Very high33 Ų3342 Ų4213%0.12922%0.219CC..Hα-helixtrans-56.7-41.5176.5-65.3-57.6000112.2F256 P262 I264 P265 L270 V345 T346 P347 K352 I353 H354F256-Y350 HydrophobicContact CE1-CD1 4.42Å; F256-Y350 HydrophobicContact CE1-CE1 4.43Å; F256-Y350 AromaticContact CZ-CD1 3.73Å; F256-Y350 HydrophobicContact CZ-CD1 3.73Å; F256-Y350 AromaticContact CZ-CE1 3.67Å; F256-Y350 HydrophobicContact CZ-CE1 3.67Å; P262-Y350 WeakPolarHBondContact CB-OH 3.46Å; I264-Y350 HydrophobicContact CB-CD1 4.36Å; I264-Y350 HydrophobicContact CG1-CD1 4.02Å; P265-Y350 VanDerWaalsContact CD-CD1 3.43Å; P265-Y350 HydrophobicContact CG-CD1 4.34Å; P265-Y350 HydrophobicContact CG-CD2 3.91Å; P265-Y350 HydrophobicContact CG-CE2 4.23Å; P265-Y350 HydrophobicContact CG-CG 4Å; L270-Y350 HydrophobicContact CD2-CD2 4.24Å; L270-Y350 HydrophobicContact CD2-CG 4.42Å; V345-Y350 HydrophobicContact CG1-CD1 4.05Å; V345-Y350 HydrophobicContact CG1-CD2 4.07Å; V345-Y350 HydrophobicContact CG1-CE1 3.62Å; V345-Y350 HydrophobicContact CG1-CE2 3.58Å; V345-Y350 HydrophobicContact CG1-CG 4.27Å; T346-Y350 PolarHBondContact O-N 2.92Å; P347-Y350 PolarHBondContact O-N 3.21Å; Y350-K352 PolarHBondContact O-N 3.3Å; Y350-I353 PolarHBondContact O-N 2.98Å; Y350-H354 PolarHBondContact O-CD2 3.21Å; Y350-H354 VanDerWaalsContact O-CD2 3.3Å; Y350-H354 PolarHBondContact O-N 2.93Å
351F92.8Very high92.5Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-58.2-48.4174.6174.9-99.2000112.3M1 M5 L270 C274 F275 N278 F281 P347 V349 I353 H354 V355M1-F351 HydrophobicContact CE-CE2 4.32Å; M1-F351 HydrophobicContact CE-CZ 3.81Å; M1-F351 HydrophobicContact CG-CE2 3.95Å; M1-F351 HydrophobicContact CG-CZ 3.8Å; M5-F351 HydrophobicContact CE-CD2 4.22Å; M5-F351 HydrophobicContact CE-CE2 3.61Å; M5-F351 HydrophobicContact CE-CZ 4.47Å; L270-F351 HydrophobicContact CD1-CB 3.97Å; C274-F351 HydrophobicContact CB-CB 4.16Å; C274-F351 HydrophobicContact CB-CG 4.49Å; F275-F351 AromaticContact CD1-CD2 3.93Å; F275-F351 HydrophobicContact CD1-CD2 3.93Å; F275-F351 AromaticContact CD1-CE2 3.35Å; F275-F351 HydrophobicContact CD1-CE2 3.35Å; F275-F351 HydrophobicContact CD1-CZ 4.22Å; F275-F351 AromaticContact CE1-CD2 3.99Å; F275-F351 HydrophobicContact CE1-CD2 3.99Å; F275-F351 AromaticContact CE1-CE2 3.68Å; F275-F351 HydrophobicContact CE1-CE2 3.68Å; F275-F351 HydrophobicContact CG-CD2 4.46Å; F275-F351 HydrophobicContact CG-CE2 4.1Å; N278-F351 HydrophobicContact CB-CD1 3.47Å; N278-F351 VanDerWaalsContact CB-CD1 3.47Å; N278-F351 HydrophobicContact CB-CE1 3.53Å; F281-F351 HydrophobicContact CB-CE1 4.11Å; P347-F351 PolarHBondContact O-N 2.94Å; V349-F351 VanDerWaalsContact C-N 3.27Å; V349-F351 PolarHBondContact O-N 3.03Å; F351-I353 VanDerWaalsContact C-N 3.29Å; F351-I353 PolarHBondContact O-N 3.41Å; F351-H354 PolarHBondContact O-N 2.64Å; F351-V355 HydrophobicContact CD1-CG2 4.34Å; F351-V355 HydrophobicContact CE1-CG2 3.85Å; F351-V355 HydrophobicContact CE2-CG2 4.13Å; F351-V355 HydrophobicContact CZ-CG2 3.74Å; F351-V355 WeakPolarHBondContact O-CG2 3.5Å; F351-V355 PolarHBondContact O-N 2.79Å
352K94.1Very high92.9Very high24 Ų2435.3 Ų35.310%0.10418%0.184CC..Hα-helixtrans-60.4-39.8177-66.4168.3-168.2168.70111.5N278 F281 V335 Q336 I337 G348 V349 Y350 V355 L356N278-K352 WeakPolarHBondContact OD1-CE 3.25Å; F281-K352 HydrophobicContact CD1-CB 4.18Å; F281-K352 HydrophobicContact CD1-CG 4.09Å; F281-K352 HydrophobicContact CD2-CD 4.42Å; F281-K352 HydrophobicContact CD2-CG 4Å; F281-K352 HydrophobicContact CE1-CB 4.15Å; F281-K352 HydrophobicContact CE1-CG 4.2Å; F281-K352 HydrophobicContact CE2-CD 4.15Å; F281-K352 HydrophobicContact CE2-CG 4.12Å; F281-K352 HydrophobicContact CG-CG 4Å; F281-K352 HydrophobicContact CZ-CD 4.34Å; F281-K352 HydrophobicContact CZ-CG 4.24Å; V335-K352 HydrophobicContact CG1-CD 4.41Å; Q336-K352 PolarHBondContact O-NZ 2.94Å; I337-K352 HydrophobicContact CG2-CB 4.14Å; I337-K352 HydrophobicContact CG2-CD 4.42Å; G348-K352 WeakPolarHBondContact O-CG 3.42Å; G348-K352 PolarHBondContact O-N 2.82Å; G348-K352 VanDerWaalsContact O-N 3.13Å; V349-K352 PolarHBondContact O-N 2.83Å; V349-K352 VanDerWaalsContact O-N 3.08Å; Y350-K352 PolarHBondContact O-N 3.3Å; K352-V355 PolarHBondContact O-N 2.9Å; K352-L356 WeakPolarHBondContact O-CB 3.47Å; K352-L356 VanDerWaalsContact O-CG 3.32Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.4Å
353I94.8Very high93.3Very high2 Ų232.7 Ų32.71%0.0117%0.166CC..Hα-helixtrans-64.1-44176.9-61.7-58.5000111.2I252 L253 F256 I264 I337 L338 V349 Y350 F351 V355 L356 R357I252-I353 HydrophobicContact CG2-CD1 4.26Å; L253-I353 HydrophobicContact CD2-CG2 3.97Å; F256-I353 HydrophobicContact CB-CD1 4.05Å; F256-I353 HydrophobicContact CD1-CG1 4.2Å; F256-I353 HydrophobicContact CD1-CG2 3.97Å; F256-I353 HydrophobicContact CD2-CD1 3.96Å; F256-I353 HydrophobicContact CD2-CG1 3.85Å; F256-I353 HydrophobicContact CE1-CG1 4.39Å; F256-I353 HydrophobicContact CE1-CG2 4.31Å; F256-I353 HydrophobicContact CE2-CG1 4.02Å; F256-I353 HydrophobicContact CG-CD1 3.92Å; F256-I353 HydrophobicContact CG-CG1 3.92Å; F256-I353 HydrophobicContact CG-CG2 4.34Å; F256-I353 HydrophobicContact CZ-CG1 4.28Å; I264-I353 HydrophobicContact CD1-CB 3.92Å; I264-I353 HydrophobicContact CD1-CG2 3.57Å; I337-I353 HydrophobicContact CG2-CD1 4.39Å; L338-I353 HydrophobicContact CD2-CD1 3.86Å; V349-I353 HydrophobicContact CG1-CG1 4.42Å; V349-I353 WeakPolarHBondContact O-CG1 3.49Å; V349-I353 PolarHBondContact O-N 3.13Å; Y350-I353 PolarHBondContact O-N 2.98Å; F351-I353 VanDerWaalsContact C-N 3.29Å; F351-I353 PolarHBondContact O-N 3.41Å; I353-V355 PolarHBondContact O-N 2.81Å; I353-L356 PolarHBondContact O-N 2.68Å; I353-R357 WeakPolarHBondContact O-CG 3.3Å; I353-R357 PolarHBondContact O-N 3.05Å
354H92.9Very high93.7Very high26 Ų2630.5 Ų30.512%0.1215%0.154CC..Hα-helixtrans-57.1-48.4173.3-80.5-59.6000111.8I264 P265 L267 Y350 F351 L356 R357 V358I264-H354 VanDerWaalsContact CD1-CE1 3.49Å; I264-H354 WeakPolarHBondContact CD1-CE1 3.48Å; I264-H354 WeakPolarHBondContact CD1-NE2 3.36Å; I264-H354 WeakPolarHBondContact CG1-NE2 3.39Å; P265-H354 PolarHBondContact O-CE1 3.27Å; P265-H354 PolarHBondContact O-NE2 3.27Å; L267-H354 HydrophobicContact CD1-CB 4.33Å; Y350-H354 PolarHBondContact O-CD2 3.21Å; Y350-H354 VanDerWaalsContact O-CD2 3.3Å; Y350-H354 PolarHBondContact O-N 2.93Å; F351-H354 PolarHBondContact O-N 2.64Å; H354-L356 VanDerWaalsContact C-N 3.35Å; H354-L356 PolarHBondContact O-N 3.06Å; H354-R357 PolarHBondContact O-N 2.97Å; H354-V358 WeakPolarHBondContact O-CG2 3.3Å; H354-V358 PolarHBondContact O-N 3.26Å
355V93.3Very high93.8Very high0 Ų026.3 Ų26.30%013%0.133CC..Hα-helixtrans-57.4-47.5176.3170.30000111.3M1 M5 F281 V285 F351 K352 I353 R357 V358 I359M1-V355 HydrophobicContact CE-CG2 3.76Å; M5-V355 HydrophobicContact CE-CG2 4.48Å; M5-V355 HydrophobicContact SD-CB 4.42Å; M5-V355 HydrophobicContact SD-CG2 3.56Å; M5-V355 VanDerWaalsContact SD-CG2 3.56Å; F281-V355 HydrophobicContact CB-CG1 4.28Å; F281-V355 HydrophobicContact CB-CG2 4.47Å; F281-V355 HydrophobicContact CD1-CB 4.3Å; F281-V355 HydrophobicContact CD1-CG1 3.94Å; V285-V355 HydrophobicContact CG2-CG1 3.79Å; F351-V355 HydrophobicContact CD1-CG2 4.34Å; F351-V355 HydrophobicContact CE1-CG2 3.85Å; F351-V355 HydrophobicContact CE2-CG2 4.13Å; F351-V355 HydrophobicContact CZ-CG2 3.74Å; F351-V355 WeakPolarHBondContact O-CG2 3.5Å; F351-V355 PolarHBondContact O-N 2.79Å; K352-V355 PolarHBondContact O-N 2.9Å; I353-V355 PolarHBondContact O-N 2.81Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.37Å; V355-V358 PolarHBondContact O-N 3.07Å; V355-I359 HydrophobicContact CG1-CD1 3.6Å; V355-I359 HydrophobicContact CG1-CG1 4.36Å; V355-I359 WeakPolarHBondContact O-CG1 3.48Å; V355-I359 PolarHBondContact O-N 3.48Å
356L95.2Very high93.9Very high0 Ų025.4 Ų25.40%013%0.127CC..Hα-helixtrans-62.7-36.1178.7-74-172.5000112.9I249 I252 L253 F281 F328 I337 K352 I353 H354 I359 N360I249-L356 HydrophobicContact CG1-CD2 4.11Å; I249-L356 HydrophobicContact CG2-CB 4.23Å; I249-L356 HydrophobicContact CG2-CD2 4.14Å; I252-L356 HydrophobicContact CB-CD1 4.33Å; I252-L356 HydrophobicContact CG2-CD1 3.67Å; L253-L356 HydrophobicContact CD2-CB 3.85Å; L253-L356 HydrophobicContact CG-CB 4.31Å; F281-L356 HydrophobicContact CE1-CD2 4.13Å; F281-L356 HydrophobicContact CE1-CG 4.33Å; F328-L356 HydrophobicContact CE2-CD2 3.78Å; F328-L356 HydrophobicContact CZ-CD2 4.38Å; I337-L356 HydrophobicContact CD1-CD1 4.04Å; I337-L356 HydrophobicContact CG2-CD1 3.92Å; K352-L356 WeakPolarHBondContact O-CB 3.47Å; K352-L356 VanDerWaalsContact O-CG 3.32Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.4Å; I353-L356 PolarHBondContact O-N 2.68Å; H354-L356 VanDerWaalsContact C-N 3.35Å; H354-L356 PolarHBondContact O-N 3.06Å; L356-I359 PolarHBondContact O-N 3.33Å; L356-N360 WeakPolarHBondContact O-CB 3.4Å; L356-N360 PolarHBondContact O-N 2.72Å
357R94.6Very high94Very high108 Ų10821.9 Ų21.941%0.40811%0.105SC..Hα-helixtrans-62.7-45.3175.7-73.5-179.772-1803.2111.5L253 I353 H354 V355 N360 K361L253-R357 HydrophobicContact CD1-CG 4.37Å; L253-R357 HydrophobicContact CD2-CG 3.66Å; I353-R357 WeakPolarHBondContact O-CG 3.3Å; I353-R357 PolarHBondContact O-N 3.05Å; H354-R357 PolarHBondContact O-N 2.97Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.37Å; R357-N360 PolarHBondContact O-N 3.07Å; R357-K361 PolarHBondContact O-N 3.17Å
358V93.1Very high94Very high7 Ų724.4 Ų24.44%0.04211%0.111CC..Hα-helixtrans-65-44.6178.3-179.70000110.9L8 N9 H354 V355 N360 K361 W362L8-V358 HydrophobicContact CB-CG1 4.01Å; L8-V358 HydrophobicContact CD2-CG1 3.51Å; L8-V358 HydrophobicContact CG-CG1 3.62Å; N9-V358 WeakPolarHBondContact ND2-CG2 3.3Å; N9-V358 WeakPolarHBondContact OD1-CG1 3.35Å; N9-V358 WeakPolarHBondContact OD1-CG2 3.32Å; H354-V358 WeakPolarHBondContact O-CG2 3.3Å; H354-V358 PolarHBondContact O-N 3.26Å; V355-V358 PolarHBondContact O-N 3.07Å; V358-N360 VanDerWaalsContact C-N 3.34Å; V358-N360 PolarHBondContact O-N 2.96Å; V358-K361 PolarHBondContact O-N 3Å; V358-W362 WeakPolarHBondContact O-CB 3.18Å; V358-W362 PolarHBondContact O-N 3.45Å
359I94.8Very high94Very high0 Ų024.1 Ų24.10%011%0.106CC..Hα-helixtrans-60.5-43.7175.8-72.1171.6000111.2I249 L284 I288 F324 V355 L356 W362 M363I249-I359 HydrophobicContact CD1-CG2 3.8Å; L284-I359 HydrophobicContact CB-CD1 4.2Å; L284-I359 HydrophobicContact CD1-CD1 4.41Å; I288-I359 HydrophobicContact CD1-CG1 4.04Å; F324-I359 HydrophobicContact CE1-CG2 3.72Å; F324-I359 HydrophobicContact CE2-CD1 3.96Å; F324-I359 HydrophobicContact CE2-CG1 4.28Å; F324-I359 HydrophobicContact CE2-CG2 4Å; F324-I359 HydrophobicContact CZ-CB 4.38Å; F324-I359 HydrophobicContact CZ-CD1 3.95Å; F324-I359 HydrophobicContact CZ-CG1 4.27Å; F324-I359 HydrophobicContact CZ-CG2 3.24Å; V355-I359 HydrophobicContact CG1-CD1 3.6Å; V355-I359 HydrophobicContact CG1-CG1 4.36Å; V355-I359 WeakPolarHBondContact O-CG1 3.48Å; V355-I359 PolarHBondContact O-N 3.48Å; L356-I359 PolarHBondContact O-N 3.33Å; I359-W362 WeakPolarHBondContact O-CB 3.31Å; I359-W362 PolarHBondContact O-N 2.87Å; I359-M363 HydrophobicContact CG2-CG 4.41Å; I359-M363 HydrophobicContact CG2-SD 4.31Å; I359-M363 WeakPolarHBondContact O-CG 3.38Å; I359-M363 PolarHBondContact O-N 3.46Å
360N95.2Very high94Very high19 Ų1924.1 Ų24.110%0.10211%0.106CC..Hα-helixtrans-61.9-46.1179.5-178.7-99.2000111.4Y246 I249 L253 L356 R357 V358 W362 M363 L364Y246-N360 WeakPolarHBondContact CE2-ND2 3.42Å; I249-N360 HydrophobicContact CG2-CB 3.96Å; L253-N360 HydrophobicContact CD1-CB 3.7Å; L356-N360 WeakPolarHBondContact O-CB 3.4Å; L356-N360 PolarHBondContact O-N 2.72Å; R357-N360 PolarHBondContact O-N 3.07Å; V358-N360 VanDerWaalsContact C-N 3.34Å; V358-N360 PolarHBondContact O-N 2.96Å; N360-W362 PolarHBondContact O-N 3.41Å; N360-M363 PolarHBondContact O-N 2.85Å; N360-L364 WeakPolarHBondContact O-CG 3.46Å; N360-L364 PolarHBondContact O-N 2.91Å
361K94.4Very high93.8Very high86 Ų8623.1 Ų23.137%0.37410%0.104SC..Hα-helixtrans-56.8-47171.9-75.9-175.2171.3-169.20111.8I12 E13 R357 V358 L364 H365I12-K361 HydrophobicContact CD1-CB 4.35Å; E13-K361 IonicContact OE1-NZ 2.81Å; E13-K361 PolarHBondContact OE1-NZ 3.48Å; R357-K361 PolarHBondContact O-N 3.17Å; V358-K361 PolarHBondContact O-N 3Å; K361-L364 PolarHBondContact O-N 3.14Å; K361-H365 WeakPolarHBondContact O-CB 3.15Å; K361-H365 PolarHBondContact O-N 3.24Å
362W94.8Very high93.8Very high8 Ų823.6 Ų23.63%0.0311%0.106CC..Hα-helixtrans-60.5-45.8178.6172.272.6000112.4L8 I12 I288 Q320 L321 F324 V358 I359 N360 L364 H365 L366L8-W362 HydrophobicContact CD1-CG 4.47Å; I12-W362 HydrophobicContact CD1-CB 3.77Å; I288-W362 HydrophobicContact CD1-CD2 3.96Å; I288-W362 HydrophobicContact CD1-CE3 3.69Å; I288-W362 HydrophobicContact CD1-CH2 4.37Å; I288-W362 HydrophobicContact CD1-CZ3 3.92Å; I288-W362 HydrophobicContact CG1-CD2 4.37Å; I288-W362 HydrophobicContact CG1-CE3 4.26Å; I288-W362 HydrophobicContact CG1-CH2 4.05Å; I288-W362 HydrophobicContact CG1-CZ2 4.15Å; I288-W362 HydrophobicContact CG1-CZ3 4.11Å; I288-W362 HydrophobicContact CG2-CD2 4.03Å; I288-W362 HydrophobicContact CG2-CG 4.31Å; I288-W362 HydrophobicContact CG2-CZ2 3.91Å; Q320-W362 HydrophobicContact CB-CZ2 4.46Å; L321-W362 HydrophobicContact CD2-CH2 4.39Å; L321-W362 HydrophobicContact CD2-CZ3 4.36Å; F324-W362 HydrophobicContact CB-CH2 3.66Å; F324-W362 HydrophobicContact CB-CZ3 3.83Å; F324-W362 HydrophobicContact CD1-CH2 4.33Å; F324-W362 AromaticContact CD1-CZ3 3.63Å; F324-W362 HydrophobicContact CD1-CZ3 3.63Å; F324-W362 HydrophobicContact CD2-CH2 4.4Å; F324-W362 AromaticContact CD2-CZ3 3.95Å; F324-W362 HydrophobicContact CD2-CZ3 3.95Å; F324-W362 HydrophobicContact CE1-CZ3 4.26Å; F324-W362 AromaticContact CG-CH2 3.85Å; F324-W362 HydrophobicContact CG-CH2 3.85Å; F324-W362 AromaticContact CG-CZ3 3.47Å; F324-W362 HydrophobicContact CG-CZ3 3.47Å; F324-W362 VanDerWaalsContact CG-CZ3 3.47Å; V358-W362 WeakPolarHBondContact O-CB 3.18Å; V358-W362 PolarHBondContact O-N 3.45Å; I359-W362 WeakPolarHBondContact O-CB 3.31Å; I359-W362 PolarHBondContact O-N 2.87Å; N360-W362 PolarHBondContact O-N 3.41Å; W362-L364 PolarHBondContact O-N 3.4Å; W362-H365 WeakPolarHBondContact O-CB 3.28Å; W362-H365 PolarHBondContact O-N 2.88Å; W362-L366 HydrophobicContact CD2-CD1 4.33Å; W362-L366 HydrophobicContact CH2-CD1 3.97Å; W362-L366 HydrophobicContact CZ2-CD1 3.35Å; W362-L366 HydrophobicContact CZ2-CG 4.37Å; W362-L366 WeakPolarHBondContact O-CG 3.21Å; W362-L366 PolarHBondContact O-N 3.36Å
363M96.3Very high93.6Very high0 Ų025.6 Ų25.60%012%0.116CC..Hα-helixtrans-62.8-43177.3-69.7-173.479.400111.9V242 Y246 I249 L321 F324 I359 N360 H365 L366 F367V242-M363 HydrophobicContact CG1-CE 3.93Å; Y246-M363 HydrophobicContact CD2-CB 4.08Å; Y246-M363 HydrophobicContact CD2-SD 4.35Å; I249-M363 HydrophobicContact CD1-SD 4.03Å; L321-M363 HydrophobicContact CD2-CB 4.44Å; L321-M363 HydrophobicContact CD2-CE 4.11Å; L321-M363 HydrophobicContact CD2-CG 4.18Å; F324-M363 HydrophobicContact CD1-SD 4.25Å; F324-M363 HydrophobicContact CE1-CG 4.47Å; F324-M363 HydrophobicContact CE1-SD 3.81Å; I359-M363 HydrophobicContact CG2-CG 4.41Å; I359-M363 HydrophobicContact CG2-SD 4.31Å; I359-M363 WeakPolarHBondContact O-CG 3.38Å; I359-M363 PolarHBondContact O-N 3.46Å; N360-M363 PolarHBondContact O-N 2.85Å; M363-H365 VanDerWaalsContact C-N 3.32Å; M363-H365 PolarHBondContact O-N 3.16Å; M363-L366 PolarHBondContact O-N 2.83Å; M363-F367 HydrophobicContact CE-CZ 4.07Å; M363-F367 WeakPolarHBondContact O-CD1 3.38Å; M363-F367 VanDerWaalsContact O-CG 3.23Å; M363-F367 WeakPolarHBondContact O-CG 3.28Å; M363-F367 PolarHBondContact O-N 3.2Å
364L94.6Very high93.4Very high57 Ų5728.7 Ų28.730%0.29813%0.131SC..Hα-helixtrans-60.3-42.2175.5-78.3171.1000112Y246 N360 K361 W362 F367 K368 E374Y246-L364 HydrophobicContact CE2-CD1 4.47Å; Y246-L364 HydrophobicContact CE2-CD2 3.85Å; Y246-L364 HydrophobicContact CE2-CG 3.79Å; Y246-L364 WeakPolarHBondContact OH-CD2 3.46Å; N360-L364 WeakPolarHBondContact O-CG 3.46Å; N360-L364 PolarHBondContact O-N 2.91Å; K361-L364 PolarHBondContact O-N 3.14Å; W362-L364 PolarHBondContact O-N 3.4Å; L364-F367 HydrophobicContact CD2-CD2 4.48Å; L364-F367 PolarHBondContact O-N 3.46Å; L364-K368 PolarHBondContact O-N 3.5Å; L364-E374 HydrophobicContact CD2-CB 4.18Å; L364-E374 HydrophobicContact CD2-CG 4.29Å
365H93.2Very high93Very high9 Ų927.6 Ų27.64%0.04213%0.126CC..Hα-helixtrans-58.8-48.5174.5-178.959.5000111.3I12 E296 K361 W362 M363 F367 K368 L369I12-H365 HydrophobicContact CG2-CB 4.35Å; E296-H365 IonicContact OE1-CD2 4Å; E296-H365 IonicContact OE1-CE1 3.43Å; E296-H365 IonicContact OE1-NE2 3.51Å; E296-H365 PolarHBondContact OE1-NE2 3.12Å; K361-H365 WeakPolarHBondContact O-CB 3.15Å; K361-H365 PolarHBondContact O-N 3.24Å; W362-H365 WeakPolarHBondContact O-CB 3.28Å; W362-H365 PolarHBondContact O-N 2.88Å; M363-H365 VanDerWaalsContact C-N 3.32Å; M363-H365 PolarHBondContact O-N 3.16Å; H365-F367 VanDerWaalsContact C-N 3.32Å; H365-F367 PolarHBondContact O-N 2.85Å; H365-K368 WeakPolarHBondContact O-CB 3.39Å; H365-K368 PolarHBondContact O-N 2.94Å; H365-L369 WeakPolarHBondContact O-CG 3.36Å; H365-L369 PolarHBondContact O-N 3.08Å
366L94.6Very high92.2Very high5 Ų529.6 Ų29.63%0.02614%0.138CC..Hα-helixtrans-64.8-34.1176.8-63.1-164.2000113.2L317 Q320 L321 W362 M363 L369 L370L317-L366 HydrophobicContact CD2-CD2 3.87Å; Q320-L366 HydrophobicContact CB-CD1 4.48Å; L321-L366 HydrophobicContact CD1-CB 4.07Å; L321-L366 HydrophobicContact CD1-CD1 4.48Å; L321-L366 HydrophobicContact CD2-CB 4.14Å; L321-L366 HydrophobicContact CD2-CD1 3.91Å; L321-L366 HydrophobicContact CG-CB 4.21Å; L321-L366 HydrophobicContact CG-CD1 3.82Å; W362-L366 HydrophobicContact CD2-CD1 4.33Å; W362-L366 HydrophobicContact CH2-CD1 3.97Å; W362-L366 HydrophobicContact CZ2-CD1 3.35Å; W362-L366 HydrophobicContact CZ2-CG 4.37Å; W362-L366 WeakPolarHBondContact O-CG 3.21Å; W362-L366 PolarHBondContact O-N 3.36Å; M363-L366 PolarHBondContact O-N 2.83Å; L366-L369 HydrophobicContact CD2-CD1 3.99Å; L366-L369 PolarHBondContact O-N 3.26Å; L366-L370 WeakPolarHBondContact O-CB 3.48Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 3.34Å
367F94.5Very high90.9Very high1 Ų132 Ų320%0.00416%0.162CC..Hα-helixtrans-63.9-44.3173.2-66.5-13.8000111.4V242 M243 Y246 L321 M363 L364 H365 L369 L370 S371 L372 E374V242-F367 HydrophobicContact CG1-CE1 3.74Å; V242-F367 HydrophobicContact CG1-CZ 3.95Å; M243-F367 HydrophobicContact CE-CE1 4.35Å; M243-F367 HydrophobicContact CE-CE2 4.38Å; M243-F367 HydrophobicContact CE-CZ 4.27Å; M243-F367 HydrophobicContact SD-CE1 4.39Å; M243-F367 HydrophobicContact SD-CE2 3.88Å; M243-F367 HydrophobicContact SD-CZ 3.78Å; Y246-F367 HydrophobicContact CD1-CE2 4.17Å; Y246-F367 AromaticContact CD2-CE2 3.71Å; Y246-F367 HydrophobicContact CD2-CE2 3.71Å; Y246-F367 HydrophobicContact CD2-CZ 4.34Å; Y246-F367 HydrophobicContact CE2-CE2 4.28Å; Y246-F367 AromaticContact CG-CE2 3.64Å; Y246-F367 HydrophobicContact CG-CE2 3.64Å; Y246-F367 HydrophobicContact CG-CZ 4.16Å; L321-F367 HydrophobicContact CD1-CD1 3.98Å; L321-F367 HydrophobicContact CD1-CE1 3.86Å; L321-F367 HydrophobicContact CD2-CE1 4.03Å; M363-F367 HydrophobicContact CE-CZ 4.07Å; M363-F367 WeakPolarHBondContact O-CD1 3.38Å; M363-F367 VanDerWaalsContact O-CG 3.23Å; M363-F367 WeakPolarHBondContact O-CG 3.28Å; M363-F367 PolarHBondContact O-N 3.2Å; L364-F367 HydrophobicContact CD2-CD2 4.48Å; L364-F367 PolarHBondContact O-N 3.46Å; H365-F367 VanDerWaalsContact C-N 3.32Å; H365-F367 PolarHBondContact O-N 2.85Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 3.13Å; F367-L370 CarbonylContact O-C 3.53Å; F367-L370 PolarHBondContact O-N 3Å; F367-L370 VanDerWaalsContact O-N 3.1Å; F367-S371 PolarHBondContact O-N 3.08Å; F367-L372 HydrophobicContact CB-CB 4.18Å; F367-L372 PolarHBondContact O-N 3.36Å; F367-E374 HydrophobicContact CD2-CB 4.18Å; F367-E374 HydrophobicContact CE2-CB 4.33Å
368K92Very high89.4Confident110 Ų11029 Ų2948%0.47815%0.153SC..Hα-helixtrans-57.9-45.4174.4176.6-176.6174.4-170.10111.6E16 L364 H365 L370 S371E16-K368 IonicContact OE1-NZ 2.85Å; E16-K368 PolarHBondContact OE1-NZ 2.93Å; E16-K368 VanDerWaalsContact OE1-NZ 3.15Å; L364-K368 PolarHBondContact O-N 3.5Å; H365-K368 WeakPolarHBondContact O-CB 3.39Å; H365-K368 PolarHBondContact O-N 2.94Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 3.41Å; K368-S371 PolarHBondContact O-N 3.3Å
369L92.2Very high89.2Confident3 Ų330.1 Ų30.12%0.01616%0.159CC..Hα-helixtrans-62.6-34.5175.5-63.9179.3000112.9C53 K56 I57 E296 L317 H365 L366 F367 S371C53-L369 WeakPolarHBondContact CA-O 3.41Å; K56-L369 HydrophobicContact CB-CD2 4.18Å; I57-L369 HydrophobicContact CG1-CB 4.39Å; I57-L369 HydrophobicContact CG1-CD1 4.11Å; I57-L369 HydrophobicContact CG1-CD2 4Å; I57-L369 HydrophobicContact CG1-CG 4.39Å; E296-L369 WeakPolarHBondContact OE1-CD1 2.97Å; L317-L369 HydrophobicContact CD1-CB 3.56Å; L317-L369 HydrophobicContact CD1-CD1 3.95Å; L317-L369 HydrophobicContact CD1-CG 4.45Å; H365-L369 WeakPolarHBondContact O-CG 3.36Å; H365-L369 PolarHBondContact O-N 3.08Å; L366-L369 HydrophobicContact CD2-CD1 3.99Å; L366-L369 PolarHBondContact O-N 3.26Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 3.13Å; L369-S371 VanDerWaalsContact C-N 3.28Å
370L93.1Very high88.9Confident8 Ų831.6 Ų31.64%0.04217%0.167CC..THydrogen-bonded Turntrans-830.4175.3-72.7169.7000113.7T210 L214 L317 L321 L366 F367 K368 L372T210-L370 HydrophobicContact CG2-CD2 4.13Å; L214-L370 HydrophobicContact CD1-CD2 4.26Å; L317-L370 HydrophobicContact CB-CD1 4.02Å; L317-L370 HydrophobicContact CB-CD2 4.03Å; L317-L370 HydrophobicContact CB-CG 4.04Å; L317-L370 HydrophobicContact CD1-CD2 4.21Å; L317-L370 HydrophobicContact CD1-CG 3.99Å; L321-L370 HydrophobicContact CD1-CD1 3.66Å; L366-L370 WeakPolarHBondContact O-CB 3.48Å; L366-L370 WeakPolarHBondContact O-CG 3.38Å; L366-L370 PolarHBondContact O-N 3.34Å; F367-L370 CarbonylContact O-C 3.53Å; F367-L370 PolarHBondContact O-N 3Å; F367-L370 VanDerWaalsContact O-N 3.1Å; K368-L370 VanDerWaalsContact C-N 3.29Å; K368-L370 PolarHBondContact O-N 3.41Å; L370-L372 HydrophobicContact CB-CB 4.49Å; L370-L372 HydrophobicContact CB-CD1 3.91Å; L370-L372 HydrophobicContact CB-CG 3.86Å; L370-L372 HydrophobicContact CD1-CD1 4.07Å; L370-L372 PolarHBondContact O-N 3.3Å
371S89.8Confident88.6Confident12 Ų1232.3 Ų32.38%0.08417%0.171CC..THydrogen-bonded Turntrans53.736.2-170.9-51.70000113.2F367 K368 L369F367-S371 PolarHBondContact O-N 3.08Å; K368-S371 PolarHBondContact O-N 3.3Å; L369-S371 VanDerWaalsContact C-N 3.28Å
372L92.6Very high88.2Confident10 Ų1029.2 Ų29.25%0.05216%0.159CC..PPolyproline II helixtrans-100144.4175.7-66.4177.7000110.4A206 C207 T210 F211 M243 F367 L370A206-L372 HydrophobicContact CB-CD2 4.34Å; C207-L372 HydrophobicContact CB-CD2 4.27Å; T210-L372 HydrophobicContact CG2-CD1 4.22Å; T210-L372 HydrophobicContact CG2-CD2 4.38Å; T210-L372 HydrophobicContact CG2-CG 4.46Å; F211-L372 HydrophobicContact CE2-CD1 4.32Å; M243-L372 HydrophobicContact CE-CB 4.03Å; M243-L372 HydrophobicContact CE-CD1 4.14Å; F367-L372 HydrophobicContact CB-CB 4.18Å; F367-L372 PolarHBondContact O-N 3.36Å; L370-L372 HydrophobicContact CB-CB 4.49Å; L370-L372 HydrophobicContact CB-CD1 3.91Å; L370-L372 HydrophobicContact CB-CG 3.86Å; L370-L372 HydrophobicContact CD1-CD1 4.07Å; L370-L372 PolarHBondContact O-N 3.3Å
373Q90.2Very high87.8Confident67 Ų6730.5 Ų30.531%0.31317%0.167SC..PPolyproline II helixtrans-98.1142.7169.4-65.2-179.20.500109.8R203 M243R203-Q373 HydrophobicContact CG-CB 3.94Å; M243-Q373 WeakPolarHBondContact CE-O 3.28Å
374E89.4Confident87.3Confident67 Ų6732.5 Ų32.531%0.31318%0.178SC..PPolyproline II helixtrans-70.4150.9177.276.2-71168.700112.7R203 Y246 L364 F367 V376R203-E374 VanDerWaalsContact CD-O 3.28Å; R203-E374 WeakPolarHBondContact CD-O 3.48Å; R203-E374 PolarHBondContact NH1-O 3.44Å; Y246-E374 HydrophobicContact CD1-CB 3.99Å; Y246-E374 HydrophobicContact CE1-CB 3.4Å; Y246-E374 VanDerWaalsContact CE1-CB 3.4Å; Y246-E374 HydrophobicContact CE1-CG 3.74Å; L364-E374 HydrophobicContact CD2-CB 4.18Å; L364-E374 HydrophobicContact CD2-CG 4.29Å; F367-E374 HydrophobicContact CD2-CB 4.18Å; F367-E374 HydrophobicContact CE2-CB 4.33Å; E374-V376 HydrophobicContact CG-CG2 4.32Å
375V84.5Confident86.7Confident2 Ų230.8 Ų30.81%0.01217%0.169CC..  trans-110.7115.2174.5-178.70000107.9S200 R203 L204 M243 A247 M378S200-V375 WeakPolarHBondContact OG-CG1 2.88Å; R203-V375 HydrophobicContact CB-CG2 3.73Å; L204-V375 HydrophobicContact CD2-CG2 3.98Å; L204-V375 HydrophobicContact CG-CG2 4.02Å; M243-V375 HydrophobicContact SD-CG2 4.32Å; A247-V375 WeakPolarHBondContact CB-O 3.44Å; V375-M378 HydrophobicContact CB-CE 3.89Å; V375-M378 HydrophobicContact CG1-CB 4.32Å; V375-M378 HydrophobicContact CG1-CE 3.83Å; V375-M378 HydrophobicContact CG1-CG 3.86Å; V375-M378 HydrophobicContact CG1-SD 4.43Å
376V78Confident86.2Confident43 Ų4332.5 Ų32.526%0.26118%0.179SC..  trans-89.9140.4178.2178.70000109.2R192 R254 E374R192-V376 PolarHBondContact NH1-O 3.01Å; R192-V376 PolarHBondContact NH2-O 3.25Å; R254-V376 VanDerWaalsContact NH2-CG1 3.33Å; E374-V376 HydrophobicContact CG-CG2 4.32Å
377G66.1Low85.5Confident49 Ų4934.8 Ų34.851%0.50519%0.192SC..  trans78.936.8164.900000118R192R192-G377 PolarHBondContact NE-O 2.72Å; R192-G377 PolarHBondContact NH2-O 3.41Å
378M64.2Low84.7Confident45 Ų4537.8 Ų37.822%0.22221%0.209CC..  trans-94.10-162.4-139.2-148.6-5500117.7R189 R192 L204 M243 Y244 A247 V375R189-M378 PolarHBondContact NH1-OXT 2.7Å; R189-M378 VanDerWaalsContact NH1-OXT 3.09Å; R192-M378 VanDerWaalsContact NH2-N 3.15Å; L204-M378 HydrophobicContact CD1-SD 4.13Å; L204-M378 HydrophobicContact CD2-CE 3.83Å; L204-M378 HydrophobicContact CD2-SD 3.95Å; M243-M378 HydrophobicContact CB-CE 3.32Å; M243-M378 VanDerWaalsContact O-CE 3.32Å; M243-M378 WeakPolarHBondContact O-CE 3.15Å; Y244-M378 HydrophobicContact CD2-CB 4.43Å; A247-M378 HydrophobicContact CB-CB 3.76Å; V375-M378 HydrophobicContact CB-CE 3.89Å; V375-M378 HydrophobicContact CG1-CB 4.32Å; V375-M378 HydrophobicContact CG1-CE 3.83Å; V375-M378 HydrophobicContact CG1-CG 3.86Å; V375-M378 HydrophobicContact CG1-SD 4.43Å

Retrieved 378 of 378 residues in 553.5 ms (Link to these results)

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