A0A077ZEQ3_TRITR Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZEQ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 674 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
1M36.5Very low33.3Very low239 Ų239151.3 Ų151.3100%1.17776%0.756SS**  063.90-65.6-165.8-10300107.6
2E34.3Very low33.5Very low185 Ų185147.1 Ų147.186%0.86476%0.763SS**  87.690.294.5-84.9-165.6168.200112.7K4E2-K4 PolarHBondContact O-N 3.44Å
3K33.4Very low33.9Very low206 Ų206146.3 Ų146.390%0.89675%0.753SS**  trans-53.3122.2161.6-66.9171172.9176.30109.5
4K36.1Very low34.8Very low192 Ų192142.1 Ų142.184%0.83573%0.729SS**  trans-116.787.7151.4-87.2-174.9177.7176.30108.7E2 I6E2-K4 PolarHBondContact O-N 3.44Å; K4-I6 PolarHBondContact O-N 3.28Å
5A35.6Very low35.8Very low94 Ų94134.8 Ų134.878%0.77769%0.692SS**  trans-66.4107.7157.200000107.4S7A5-S7 VanDerWaalsContact C-N 3.3Å; A5-S7 PolarHBondContact O-N 3.19Å
6I33.7Very low36.7Very low137 Ų137136.3 Ų136.370%0.70369%0.692SS**  trans-83.587.1164.9-59.1176.5000105.7K4 F8K4-I6 PolarHBondContact O-N 3.28Å; I6-F8 HydrophobicContact CG2-CD2 3.59Å; I6-F8 HydrophobicContact CG2-CE2 3.75Å; I6-F8 PolarHBondContact O-N 3.43Å
7S29.1Very low37.9Very low87 Ų87129.2 Ų129.261%0.60866%0.661SS**  trans-74.698.2164.4650000108.1A5 R9A5-S7 VanDerWaalsContact C-N 3.3Å; A5-S7 PolarHBondContact O-N 3.19Å; S7-R9 PolarHBondContact O-N 3.13Å
8F31.6Very low39.4Very low179 Ų179123.8 Ų123.879%0.78563%0.632SS**  trans-7286.7158.6-96.8-86.4000107.7I6 C10I6-F8 HydrophobicContact CG2-CD2 3.59Å; I6-F8 HydrophobicContact CG2-CE2 3.75Å; I6-F8 PolarHBondContact O-N 3.43Å; F8-C10 VanDerWaalsContact C-N 3.31Å; F8-C10 PolarHBondContact O-N 3.3Å; F8-C10 VanDerWaalsContact O-N 3.1Å
9R31.3Very low40.9Very low224 Ų224125.2 Ų125.285%0.84563%0.628SS**  trans-72.791.1163.4-78.4-178.2173.7179.5-1.7107.1S7 S11S7-R9 PolarHBondContact O-N 3.13Å; R9-S11 PolarHBondContact O-N 2.96Å
10C33.1Very low42.2Very low69 Ų69123.2 Ų123.247%0.46662%0.617SS.*  trans-64.7113.7164.2-174.50000107.6F8 E14F8-C10 VanDerWaalsContact C-N 3.31Å; F8-C10 PolarHBondContact O-N 3.3Å; F8-C10 VanDerWaalsContact O-N 3.1Å; C10-E14 VanDerWaalsContact CA-OE2 3.31Å; C10-E14 WeakPolarHBondContact CA-OE2 3.2Å; C10-E14 PolarHBondContact SG-OE2 3.48Å
11S31.4Very low43.4Very low52 Ų52117.5 Ų117.536%0.36459%0.588SS.*  trans-64.5153.5-172.966.50000110.9R9 E13 E14R9-S11 PolarHBondContact O-N 2.96Å; S11-E13 PolarHBondContact O-N 2.89Å; S11-E14 PolarHBondContact N-OE2 3.1Å; S11-E14 PolarHBondContact O-N 3.48Å; S11-E14 VanDerWaalsContact O-N 3.13Å; S11-E14 WeakPolarHBondContact OG-CG 3.12Å; S11-E14 PolarHBondContact OG-OE2 3.23Å
12A36Very low45.2Very low101 Ų101107.6 Ų107.684%0.83554%0.54SS*.THydrogen-bonded Turntrans-61.3-14.1-17800000113.7
13E39Very low47.1Very low137 Ų137102.2 Ų102.264%0.6452%0.521SS*.THydrogen-bonded Turntrans-81.7-19.5178.5-64.7-174.4137.300113.3S11 L15 K16S11-E13 PolarHBondContact O-N 2.89Å; E13-L15 PolarHBondContact O-N 3.35Å; E13-K16 PolarHBondContact O-N 2.71Å
14E45.4Very low48.8Very low87 Ų8794.5 Ų94.541%0.40749%0.488SS..THydrogen-bonded Turntrans-82.4-5.8-165.4-77171145.100115.5C10 S11C10-E14 VanDerWaalsContact CA-OE2 3.31Å; C10-E14 WeakPolarHBondContact CA-OE2 3.2Å; C10-E14 PolarHBondContact SG-OE2 3.48Å; S11-E14 PolarHBondContact N-OE2 3.1Å; S11-E14 PolarHBondContact O-N 3.48Å; S11-E14 VanDerWaalsContact O-N 3.13Å; S11-E14 WeakPolarHBondContact OG-CG 3.12Å; S11-E14 PolarHBondContact OG-OE2 3.23Å
15L51Low50.4Low33 Ų3385.7 Ų85.717%0.17345%0.449CS..THydrogen-bonded Turntrans-11324.6171.9-90.4160000112.9E13 G17 K18 P597 K640E13-L15 PolarHBondContact O-N 3.35Å; L15-G17 PolarHBondContact O-N 3.13Å; L15-K18 HydrophobicContact CB-CG 4.37Å; L15-K18 HydrophobicContact CD2-CG 4.02Å; L15-K18 PolarHBondContact O-N 2.98Å; L15-P597 HydrophobicContact CD1-CG 4.32Å; L15-K640 HydrophobicContact CD1-CD 3.93Å
16K50.1Low52.3Low159 Ų15983.2 Ų83.269%0.69142%0.423SS*.THydrogen-bonded Turntrans-56.7-9.3163.8-82.9-178.1177.1173.70113.3E13 W19E13-K16 PolarHBondContact O-N 2.71Å; K16-W19 PolarHBondContact O-NE1 2.84Å
17G57.3Low54Low16 Ų1683.3 Ų83.317%0.16543%0.425CS..THydrogen-bonded Turntrans-92.27176.200000116.3L15 W19 Q20L15-G17 PolarHBondContact O-N 3.13Å; G17-W19 PolarHBondContact O-N 3.32Å; G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 VanDerWaalsContact O-CG 3.28Å; G17-Q20 WeakPolarHBondContact O-CG 3.32Å; G17-Q20 PolarHBondContact O-N 3.06Å
18K63.5Low55.4Low32 Ų3280.7 Ų80.714%0.13941%0.406CS..G310 helixtrans-55-40.3-180-74-170.1172.7-163.20113.4L15 Q20 Y21 L650 E651L15-K18 HydrophobicContact CB-CG 4.37Å; L15-K18 HydrophobicContact CD2-CG 4.02Å; L15-K18 PolarHBondContact O-N 2.98Å; K18-Q20 PolarHBondContact O-N 3.32Å; K18-Y21 HydrophobicContact CB-CD2 4.21Å; K18-Y21 HydrophobicContact CB-CE2 4.04Å; K18-Y21 HydrophobicContact CG-CE2 4.09Å; K18-Y21 WeakPolarHBondContact O-CB 3.43Å; K18-Y21 WeakPolarHBondContact O-CD2 3.39Å; K18-Y21 PolarHBondContact O-N 2.97Å; K18-L650 VanDerWaalsContact NZ-CG 3.29Å; K18-E651 PolarHBondContact NZ-O 3.43Å
19W67.8Low56.9Low149 Ų14973.3 Ų73.356%0.56437%0.373SS*.G310 helixtrans-62.8-17178.765.7-90000112.7K16 G17 Y21 L22 P23K16-W19 PolarHBondContact O-NE1 2.84Å; G17-W19 PolarHBondContact O-N 3.32Å; W19-Y21 PolarHBondContact O-N 3.26Å; W19-L22 VanDerWaalsContact O-CB 3.28Å; W19-L22 WeakPolarHBondContact O-CB 3.46Å; W19-L22 PolarHBondContact O-N 3.45Å; W19-P23 WeakPolarHBondContact O-CD 3.32Å
20Q67.6Low58.3Low85 Ų8564.9 Ų64.940%0.39735%0.352SS..G310 helixtrans-66.2-21.7175-58.5173.1-23.600112.4G17 K18 L22 P23 M604G17-Q20 WeakPolarHBondContact O-CB 3.49Å; G17-Q20 VanDerWaalsContact O-CG 3.28Å; G17-Q20 WeakPolarHBondContact O-CG 3.32Å; G17-Q20 PolarHBondContact O-N 3.06Å; K18-Q20 PolarHBondContact O-N 3.32Å; Q20-L22 PolarHBondContact O-N 3.39Å; Q20-P23 WeakPolarHBondContact O-CD 3.3Å; Q20-M604 HydrophobicContact CB-CE 4.02Å
21Y67.7Low60.2Low5 Ų562.9 Ų62.92%0.0234%0.336CS..Hα-helixtrans-61.1-32.5169.3-60.9-64.4000111.6K18 W19 E24 F25 I599 M604 F614 I652K18-Y21 HydrophobicContact CB-CD2 4.21Å; K18-Y21 HydrophobicContact CB-CE2 4.04Å; K18-Y21 HydrophobicContact CG-CE2 4.09Å; K18-Y21 WeakPolarHBondContact O-CB 3.43Å; K18-Y21 WeakPolarHBondContact O-CD2 3.39Å; K18-Y21 PolarHBondContact O-N 2.97Å; W19-Y21 PolarHBondContact O-N 3.26Å; Y21-E24 PolarHBondContact O-N 3.31Å; Y21-F25 WeakPolarHBondContact O-CB 3.48Å; Y21-F25 PolarHBondContact O-N 2.85Å; Y21-I599 HydrophobicContact CE1-CD1 3.94Å; Y21-I599 HydrophobicContact CE1-CG2 3.94Å; Y21-I599 WeakPolarHBondContact OH-CG2 3.49Å; Y21-M604 HydrophobicContact CD1-CE 3.41Å; Y21-M604 VanDerWaalsContact CD1-CE 3.41Å; Y21-M604 HydrophobicContact CD1-SD 3.52Å; Y21-M604 VanDerWaalsContact CD1-SD 3.52Å; Y21-M604 HydrophobicContact CE1-CE 3.41Å; Y21-M604 VanDerWaalsContact CE1-CE 3.41Å; Y21-M604 HydrophobicContact CE1-CG 4.23Å; Y21-M604 HydrophobicContact CE1-SD 2.88Å; Y21-M604 WeakPolarHBondContact CE1-SD 3.23Å; Y21-M604 HydrophobicContact CE2-CE 4.48Å; Y21-M604 HydrophobicContact CG-CE 4.01Å; Y21-M604 PolarHBondContact OH-SD 3.2Å; Y21-F614 HydrophobicContact CD1-CE2 4.25Å; Y21-I652 HydrophobicContact CD2-CG2 3.89Å; Y21-I652 HydrophobicContact CG-CG2 4.25Å
22L74.2Confident62.5Low31 Ų3160.9 Ų60.916%0.16232%0.321CS..Hα-helixtrans-70-46.2-164.9-17266.9000112.3W19 Q20 E24 F25 L26 L491 T656W19-L22 VanDerWaalsContact O-CB 3.28Å; W19-L22 WeakPolarHBondContact O-CB 3.46Å; W19-L22 PolarHBondContact O-N 3.45Å; Q20-L22 PolarHBondContact O-N 3.39Å; L22-E24 PolarHBondContact O-N 3.02Å; L22-F25 HydrophobicContact CD1-CD1 4.42Å; L22-F25 PolarHBondContact O-N 3.38Å; L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CG 4.1Å; L22-L26 HydrophobicContact CD2-CD1 4.47Å; L22-L26 HydrophobicContact CG-CD1 3.86Å; L22-L26 HydrophobicContact CG-CG 4.19Å; L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.93Å; L22-L491 HydrophobicContact CD2-CD2 4.19Å; L22-T656 HydrophobicContact CD1-CG2 3.59Å; L22-T656 HydrophobicContact CD2-CG2 4.03Å; L22-T656 HydrophobicContact CG-CG2 4.46Å
23P74.2Confident64.8Low71 Ų7160.2 Ų60.246%0.46130%0.299SS..Hα-helixtrans-57.7-46174.6-26.334.6000113.1W19 Q20 L26 D27W19-P23 WeakPolarHBondContact O-CD 3.32Å; Q20-P23 WeakPolarHBondContact O-CD 3.3Å; P23-L26 CarbonylContact O-C 3.58Å; P23-L26 PolarHBondContact O-N 3.01Å; P23-D27 WeakPolarHBondContact O-CB 3.35Å; P23-D27 PolarHBondContact O-N 2.87Å
24E69.5Low67.1Low44 Ų4454.6 Ų54.621%0.20627%0.274CS..Hα-helixtrans-68.6-38.2-179.4-63.9173168.100111.9Y21 L22 D27 T28 V607 F614Y21-E24 PolarHBondContact O-N 3.31Å; L22-E24 PolarHBondContact O-N 3.02Å; E24-D27 PolarHBondContact O-N 3.5Å; E24-T28 PolarHBondContact O-N 3.14Å; E24-T28 PolarHBondContact O-OG1 3.16Å; E24-V607 HydrophobicContact CG-CG1 4.17Å; E24-V607 WeakPolarHBondContact OE1-CB 3.38Å; E24-V607 WeakPolarHBondContact OE1-CG1 3.35Å; E24-V607 WeakPolarHBondContact OE2-CB 3.37Å; E24-V607 WeakPolarHBondContact OE2-CG1 3.46Å; E24-F614 HydrophobicContact CB-CB 4.4Å; E24-F614 HydrophobicContact CB-CD2 3.82Å; E24-F614 HydrophobicContact CB-CG 4.37Å
25F70.2Confident69.3Low7 Ų750.9 Ų50.93%0.03126%0.256CS..Hα-helixtrans-61.3-46.9171.2175.3-99.8000110.9Y21 L22 D27 T28 Q29 P588 F614 F618 Y625Y21-F25 WeakPolarHBondContact O-CB 3.48Å; Y21-F25 PolarHBondContact O-N 2.85Å; L22-F25 HydrophobicContact CD1-CD1 4.42Å; L22-F25 PolarHBondContact O-N 3.38Å; F25-D27 VanDerWaalsContact C-N 3.31Å; F25-D27 PolarHBondContact O-N 3.06Å; F25-T28 PolarHBondContact O-N 2.83Å; F25-T28 PolarHBondContact O-OG1 3.22Å; F25-T28 VanDerWaalsContact O-OG1 3.06Å; F25-Q29 HydrophobicContact CD2-CG 4.28Å; F25-Q29 HydrophobicContact CE1-CB 4.36Å; F25-Q29 HydrophobicContact CE2-CB 4.22Å; F25-Q29 HydrophobicContact CE2-CG 3.76Å; F25-Q29 HydrophobicContact CZ-CB 4.06Å; F25-Q29 HydrophobicContact CZ-CG 4.03Å; F25-Q29 WeakPolarHBondContact O-CA 3.16Å; F25-Q29 VanDerWaalsContact O-CB 3.28Å; F25-Q29 WeakPolarHBondContact O-CB 3.36Å; F25-Q29 PolarHBondContact O-N 3.41Å; F25-P588 HydrophobicContact CD2-CG 4.28Å; F25-P588 HydrophobicContact CE1-CG 4.34Å; F25-P588 HydrophobicContact CE2-CB 4.13Å; F25-P588 HydrophobicContact CE2-CG 3.6Å; F25-P588 HydrophobicContact CZ-CG 3.64Å; F25-F614 HydrophobicContact CB-CE1 4.03Å; F25-F614 HydrophobicContact CB-CE2 4.29Å; F25-F614 HydrophobicContact CB-CZ 3.83Å; F25-F614 HydrophobicContact CD2-CD1 4.44Å; F25-F614 AromaticContact CD2-CE1 3.63Å; F25-F614 HydrophobicContact CD2-CE1 3.63Å; F25-F614 HydrophobicContact CD2-CZ 4.04Å; F25-F614 HydrophobicContact CG-CE1 4.34Å; F25-F614 HydrophobicContact CG-CZ 4.41Å; F25-F618 HydrophobicContact CE2-CZ 4.34Å; F25-Y625 HydrophobicContact CE2-CE1 4.36Å
26L73.8Confident71.2Confident43 Ų4350 Ų5023%0.22525%0.253CS..Hα-helixtrans-69.1-29.3179.8-71.3177.9000112.6L22 P23 Q29 A30 L31 L491L22-L26 HydrophobicContact CD1-CD1 4.18Å; L22-L26 HydrophobicContact CD1-CG 4.1Å; L22-L26 HydrophobicContact CD2-CD1 4.47Å; L22-L26 HydrophobicContact CG-CD1 3.86Å; L22-L26 HydrophobicContact CG-CG 4.19Å; L22-L26 VanDerWaalsContact O-CB 3.26Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.93Å; P23-L26 CarbonylContact O-C 3.58Å; P23-L26 PolarHBondContact O-N 3.01Å; L26-Q29 CarbonylContact O-C 3.35Å; L26-A30 WeakPolarHBondContact O-CA 3.46Å; L26-A30 PolarHBondContact O-N 3.12Å; L26-L31 HydrophobicContact CD2-CD2 3.53Å; L26-L31 HydrophobicContact CD2-CG 4.21Å; L26-L491 HydrophobicContact CD1-CD2 4.2Å; L26-L491 HydrophobicContact CD1-CG 4.5Å; L26-L491 HydrophobicContact CD2-CD1 4.4Å; L26-L491 HydrophobicContact CD2-CG 4.17Å
27D69.2Low73.2Confident138 Ų13845.2 Ų45.274%0.73824%0.235SC*.Hα-helixtrans-72.9-45.5175.7-160.937000110.4P23 E24 F25P23-D27 WeakPolarHBondContact O-CB 3.35Å; P23-D27 PolarHBondContact O-N 2.87Å; E24-D27 PolarHBondContact O-N 3.5Å; F25-D27 VanDerWaalsContact C-N 3.31Å; F25-D27 PolarHBondContact O-N 3.06Å
28T60.2Low74.9Confident33 Ų3345.1 Ų45.120%0.20223%0.231CC..Hα-helixtrans-68.9-37.717650.60000113.4E24 F25 K33 F614E24-T28 PolarHBondContact O-N 3.14Å; E24-T28 PolarHBondContact O-OG1 3.16Å; F25-T28 PolarHBondContact O-N 2.83Å; F25-T28 PolarHBondContact O-OG1 3.22Å; F25-T28 VanDerWaalsContact O-OG1 3.06Å; T28-K33 WeakPolarHBondContact O-CD 2.97Å; T28-K33 PolarHBondContact O-NZ 2.82Å; T28-F614 HydrophobicContact CG2-CB 3.76Å
29Q62.6Low76.4Confident23 Ų2343.6 Ų43.611%0.10722%0.224CC..THydrogen-bonded Turntrans-110.546.1179.1-63.4-122.7-56.600111.3F25 L26 L31 Y625F25-Q29 HydrophobicContact CD2-CG 4.28Å; F25-Q29 HydrophobicContact CE1-CB 4.36Å; F25-Q29 HydrophobicContact CE2-CB 4.22Å; F25-Q29 HydrophobicContact CE2-CG 3.76Å; F25-Q29 HydrophobicContact CZ-CB 4.06Å; F25-Q29 HydrophobicContact CZ-CG 4.03Å; F25-Q29 WeakPolarHBondContact O-CA 3.16Å; F25-Q29 VanDerWaalsContact O-CB 3.28Å; F25-Q29 WeakPolarHBondContact O-CB 3.36Å; F25-Q29 PolarHBondContact O-N 3.41Å; L26-Q29 CarbonylContact O-C 3.35Å; Q29-L31 PolarHBondContact O-N 3.09Å; Q29-Y625 PolarHBondContact NE2-OH 3.33Å; Q29-Y625 PolarHBondContact OE1-OH 3.25Å
30A60.9Low77.7Confident47 Ų4737.1 Ų37.139%0.38820%0.201SC..  trans-29.9129.8176.700000110.9L26 M32 K33L26-A30 WeakPolarHBondContact O-CA 3.46Å; L26-A30 PolarHBondContact O-N 3.12Å; A30-M32 PolarHBondContact O-N 3.13Å; A30-K33 HydrophobicContact CB-CB 4.27Å; A30-K33 WeakPolarHBondContact O-CA 3.31Å; A30-K33 WeakPolarHBondContact O-CB 3.37Å; A30-K33 PolarHBondContact O-N 3.11Å
31L72.9Confident79Confident28 Ų2836.4 Ų36.415%0.14720%0.2CC..THydrogen-bonded Turntrans-53.8-21.8-162.9-67.5170.6000114.8L26 Q29 F442 R446 L491 F660L26-L31 HydrophobicContact CD2-CD2 3.53Å; L26-L31 HydrophobicContact CD2-CG 4.21Å; Q29-L31 PolarHBondContact O-N 3.09Å; L31-F442 HydrophobicContact CD1-CD1 4.18Å; L31-F442 HydrophobicContact CD1-CE1 4.2Å; L31-R446 VanDerWaalsContact CA-NH2 3.25Å; L31-R446 PolarHBondContact O-NE 3.15Å; L31-R446 PolarHBondContact O-NH2 3Å; L31-L491 HydrophobicContact CD1-CD1 3.96Å; L31-L491 HydrophobicContact CD2-CD1 3.55Å; L31-L491 HydrophobicContact CD2-CG 4.27Å; L31-L491 HydrophobicContact CG-CD1 4.41Å; L31-F660 HydrophobicContact CD1-CD2 4.38Å
32M79.8Confident80.3Confident10 Ų1036.2 Ų36.25%0.04920%0.199CC..THydrogen-bonded Turntrans-104.44178.5-66.6-49.4-63.500115.2A30 D34 Q35 V36 P156 M168 M445A30-M32 PolarHBondContact O-N 3.13Å; M32-D34 PolarHBondContact O-N 2.97Å; M32-Q35 HydrophobicContact CE-CB 4.18Å; M32-Q35 HydrophobicContact CE-CG 3.97Å; M32-Q35 PolarHBondContact O-N 3.25Å; M32-V36 WeakPolarHBondContact O-CG2 3.44Å; M32-V36 PolarHBondContact O-N 3.45Å; M32-P156 HydrophobicContact CG-CB 3.82Å; M32-M168 HydrophobicContact CE-CE 4.18Å; M32-M445 HydrophobicContact CE-CB 3.63Å; M32-M445 HydrophobicContact CE-CG 4.21Å; M32-M445 HydrophobicContact CE-SD 4.41Å; M32-M445 HydrophobicContact CG-CB 4.34Å; M32-M445 HydrophobicContact CG-SD 4.17Å; M32-M445 HydrophobicContact SD-CB 3.47Å; M32-M445 WeakPolarHBondContact SD-CB 3.19Å; M32-M445 HydrophobicContact SD-CG 4.44Å; M32-M445 HydrophobicContact SD-SD 4.45Å
33K84.3Confident81.3Confident86 Ų8635 Ų3537%0.37419%0.193SC..Hα-helixtrans-61.3-31.8-177.1-161.9179.3-171.6178.10111.8T28 A30 Q35 V36 N37T28-K33 WeakPolarHBondContact O-CD 2.97Å; T28-K33 PolarHBondContact O-NZ 2.82Å; A30-K33 HydrophobicContact CB-CB 4.27Å; A30-K33 WeakPolarHBondContact O-CA 3.31Å; A30-K33 WeakPolarHBondContact O-CB 3.37Å; A30-K33 PolarHBondContact O-N 3.11Å; K33-Q35 PolarHBondContact O-N 2.88Å; K33-V36 PolarHBondContact O-N 2.89Å; K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-N 3.01Å; K33-N37 PolarHBondContact O-ND2 3.02Å; K33-N37 PolarHBondContact O-OD1 3.38Å
34D87.5Confident82.2Confident20 Ų2034 Ų3411%0.10718%0.184CC..Hα-helixtrans-60.7-46.2178.1-62.4-19.4000112.1M32 S38 C494 I495M32-D34 PolarHBondContact O-N 2.97Å; D34-S38 VanDerWaalsContact O-CB 3.25Å; D34-S38 WeakPolarHBondContact O-CB 3.19Å; D34-S38 PolarHBondContact O-N 3.3Å; D34-C494 WeakPolarHBondContact OD2-CA 3.46Å; D34-I495 HydrophobicContact CB-CB 4.23Å; D34-I495 HydrophobicContact CB-CD1 4.35Å; D34-I495 HydrophobicContact CB-CG1 4.4Å; D34-I495 PolarHBondContact OD2-N 3.04Å; D34-I495 VanDerWaalsContact OD2-N 3.12Å
35Q90.3Very high83.3Confident8 Ų835.2 Ų35.24%0.03719%0.194CC..Hα-helixtrans-68.1-40.8177.4-74.1-69.8-8.400111.9M32 K33 S38 F39 P171M32-Q35 HydrophobicContact CE-CB 4.18Å; M32-Q35 HydrophobicContact CE-CG 3.97Å; M32-Q35 PolarHBondContact O-N 3.25Å; K33-Q35 PolarHBondContact O-N 2.88Å; Q35-S38 PolarHBondContact O-N 3.5Å; Q35-F39 PolarHBondContact O-N 3.3Å; Q35-P171 VanDerWaalsContact NE2-CD 3.32Å; Q35-P171 VanDerWaalsContact NE2-CG 3.31Å
36V92.3Very high84.3Confident15 Ų1536.7 Ų36.79%0.09120%0.201CC..Hα-helixtrans-66.6-46.5179.2175.10000111M32 K33 S38 F39 N40 M130 R132M32-V36 WeakPolarHBondContact O-CG2 3.44Å; M32-V36 PolarHBondContact O-N 3.45Å; K33-V36 PolarHBondContact O-N 2.89Å; V36-S38 VanDerWaalsContact C-N 3.35Å; V36-S38 PolarHBondContact O-N 3.25Å; V36-F39 PolarHBondContact O-N 2.99Å; V36-N40 WeakPolarHBondContact O-CB 3.27Å; V36-N40 PolarHBondContact O-N 3.19Å; V36-N40 PolarHBondContact O-ND2 3.19Å; V36-M130 HydrophobicContact CG2-SD 4.11Å; V36-R132 WeakPolarHBondContact CG1-O 3.24Å
37N91.7Very high85.3Confident59 Ų5934.7 Ų34.732%0.31619%0.19SC..Hα-helixtrans-60.5-45.7175.6-72.4-9000110.7K33 F39 N40 D41K33-N37 WeakPolarHBondContact O-CB 3.43Å; K33-N37 PolarHBondContact O-N 3.01Å; K33-N37 PolarHBondContact O-ND2 3.02Å; K33-N37 PolarHBondContact O-OD1 3.38Å; N37-F39 VanDerWaalsContact C-N 3.28Å; N37-F39 PolarHBondContact O-N 2.8Å; N37-N40 WeakPolarHBondContact O-CB 3.19Å; N37-N40 PolarHBondContact O-N 2.78Å; N37-N40 VanDerWaalsContact O-N 3.11Å; N37-D41 VanDerWaalsContact O-CG 3.26Å; N37-D41 PolarHBondContact O-N 3.43Å
38S93.5Very high86.5Confident13 Ų1332.6 Ų32.69%0.09118%0.175CC..Hα-helixtrans-57.2-42.1176.2-179.90000112.5D34 Q35 V36 F42 L356 G358 P359D34-S38 VanDerWaalsContact O-CB 3.25Å; D34-S38 WeakPolarHBondContact O-CB 3.19Å; D34-S38 PolarHBondContact O-N 3.3Å; Q35-S38 PolarHBondContact O-N 3.5Å; V36-S38 VanDerWaalsContact C-N 3.35Å; V36-S38 PolarHBondContact O-N 3.25Å; S38-F42 PolarHBondContact O-N 3.13Å; S38-F42 VanDerWaalsContact O-N 3.17Å; S38-L356 VanDerWaalsContact OG-CB 3.31Å; S38-L356 WeakPolarHBondContact OG-CB 3.4Å; S38-G358 WeakPolarHBondContact O-CA 2.99Å; S38-G358 WeakPolarHBondContact OG-CA 3.5Å; S38-G358 PolarHBondContact OG-N 3.34Å; S38-G358 VanDerWaalsContact OG-N 3.16Å; S38-P359 WeakPolarHBondContact OG-CD 3.48Å
39F95.2Very high88Confident0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-69.5-38.9175.9-176.7-98.5000112.4Q35 V36 N37 F42 V43 L127 I129 M130 F160 I361Q35-F39 PolarHBondContact O-N 3.3Å; V36-F39 PolarHBondContact O-N 2.99Å; N37-F39 VanDerWaalsContact C-N 3.28Å; N37-F39 PolarHBondContact O-N 2.8Å; F39-F42 HydrophobicContact CD2-CD1 4.47Å; F39-F42 HydrophobicContact CE2-CD1 4.36Å; F39-F42 WeakPolarHBondContact O-CB 3.24Å; F39-F42 PolarHBondContact O-N 3.28Å; F39-V43 HydrophobicContact CD1-CG2 4.08Å; F39-V43 HydrophobicContact CE1-CG2 3.64Å; F39-V43 HydrophobicContact CE2-CG2 4.34Å; F39-V43 HydrophobicContact CZ-CG2 3.78Å; F39-V43 WeakPolarHBondContact O-CG2 3.09Å; F39-V43 PolarHBondContact O-N 3.36Å; F39-L127 HydrophobicContact CZ-CD2 4.46Å; F39-I129 HydrophobicContact CE1-CD1 4.42Å; F39-I129 HydrophobicContact CZ-CD1 4.21Å; F39-M130 HydrophobicContact CB-CB 4.49Å; F39-M130 HydrophobicContact CB-CE 3.99Å; F39-M130 HydrophobicContact CB-SD 3.91Å; F39-M130 HydrophobicContact CD1-CB 3.71Å; F39-M130 HydrophobicContact CD2-CB 4.3Å; F39-M130 HydrophobicContact CD2-CE 4.48Å; F39-M130 HydrophobicContact CE1-CB 3.92Å; F39-M130 HydrophobicContact CE2-CB 4.49Å; F39-M130 HydrophobicContact CG-CB 3.9Å; F39-M130 HydrophobicContact CG-CE 4.33Å; F39-M130 HydrophobicContact CG-SD 4.32Å; F39-M130 HydrophobicContact CZ-CB 4.32Å; F39-F160 HydrophobicContact CD2-CE1 4.21Å; F39-F160 AromaticContact CD2-CZ 3.93Å; F39-F160 HydrophobicContact CD2-CZ 3.93Å; F39-F160 AromaticContact CE2-CE1 3.73Å; F39-F160 HydrophobicContact CE2-CE1 3.73Å; F39-F160 AromaticContact CE2-CZ 3.9Å; F39-F160 HydrophobicContact CE2-CZ 3.9Å; F39-F160 HydrophobicContact CZ-CE1 4.16Å; F39-I361 HydrophobicContact CD2-CD1 3.87Å; F39-I361 HydrophobicContact CE2-CD1 3.84Å
40N95.1Very high89.3Confident13 Ų1334.3 Ų34.37%0.0718%0.18CC..Hα-helixtrans-62.1-45.7175.6-70.1-23.8000111.3V36 N37 F42 V43 D44 S133 N134V36-N40 WeakPolarHBondContact O-CB 3.27Å; V36-N40 PolarHBondContact O-N 3.19Å; V36-N40 PolarHBondContact O-ND2 3.19Å; N37-N40 WeakPolarHBondContact O-CB 3.19Å; N37-N40 PolarHBondContact O-N 2.78Å; N37-N40 VanDerWaalsContact O-N 3.11Å; N40-F42 PolarHBondContact O-N 2.82Å; N40-V43 PolarHBondContact O-N 2.63Å; N40-V43 VanDerWaalsContact O-N 3.1Å; N40-D44 WeakPolarHBondContact O-CB 3.48Å; N40-D44 PolarHBondContact O-N 3.23Å; N40-S133 WeakPolarHBondContact OD1-CA 3.49Å; N40-S133 WeakPolarHBondContact OD1-CB 2.97Å; N40-N134 VanDerWaalsContact CG-CG 3.45Å; N40-N134 PolarHBondContact ND2-OD1 2.99Å; N40-N134 PolarHBondContact OD1-N 2.92Å
41D93.3Very high90.8Very high70 Ų7032.3 Ų32.337%0.37416%0.162SC..Hα-helixtrans-58.6-39.3176.1-68.1-15.5000111.1N37 V45 E46N37-D41 VanDerWaalsContact O-CG 3.26Å; N37-D41 PolarHBondContact O-N 3.43Å; D41-V45 WeakPolarHBondContact O-CB 2.99Å; D41-V45 PolarHBondContact O-N 2.81Å; D41-E46 PolarHBondContact O-N 3.32Å
42F94.9Very high91.7Very high1 Ų133.8 Ų33.80%0.00418%0.179CC..Iπ-helixtrans-61.4-49.3173.8164-108.6000112.4S38 F39 N40 E46 I47 I50 L127 I361 A362 F365S38-F42 PolarHBondContact O-N 3.13Å; S38-F42 VanDerWaalsContact O-N 3.17Å; F39-F42 HydrophobicContact CD2-CD1 4.47Å; F39-F42 HydrophobicContact CE2-CD1 4.36Å; F39-F42 WeakPolarHBondContact O-CB 3.24Å; F39-F42 PolarHBondContact O-N 3.28Å; N40-F42 PolarHBondContact O-N 2.82Å; F42-E46 HydrophobicContact CD2-CB 4.11Å; F42-E46 PolarHBondContact O-N 3.45Å; F42-I47 HydrophobicContact CE2-CB 4.38Å; F42-I47 WeakPolarHBondContact O-CB 3.06Å; F42-I47 PolarHBondContact O-N 3.1Å; F42-I50 HydrophobicContact CE2-CD1 4.32Å; F42-L127 HydrophobicContact CE1-CD1 4.12Å; F42-L127 HydrophobicContact CE1-CD2 3.92Å; F42-I361 HydrophobicContact CD1-CB 4.45Å; F42-I361 HydrophobicContact CD1-CG2 3.97Å; F42-I361 HydrophobicContact CE1-CB 4.34Å; F42-I361 HydrophobicContact CE1-CG2 3.42Å; F42-I361 VanDerWaalsContact CE1-CG2 3.42Å; F42-I361 HydrophobicContact CE2-CG2 4.32Å; F42-I361 HydrophobicContact CZ-CG2 3.63Å; F42-A362 HydrophobicContact CD2-CB 3.67Å; F42-A362 HydrophobicContact CE2-CB 4Å; F42-F365 HydrophobicContact CE2-CB 4.22Å; F42-F365 HydrophobicContact CE2-CG 4.49Å; F42-F365 HydrophobicContact CZ-CB 4.04Å; F42-F365 HydrophobicContact CZ-CG 4.19Å
43V95.3Very high92Very high5 Ų536.3 Ų36.33%0.0320%0.201CC..Iπ-helixtrans-69.1-37.9-175.41700000112.5F39 N40 I47 V74 L127 R135F39-V43 HydrophobicContact CD1-CG2 4.08Å; F39-V43 HydrophobicContact CE1-CG2 3.64Å; F39-V43 HydrophobicContact CE2-CG2 4.34Å; F39-V43 HydrophobicContact CZ-CG2 3.78Å; F39-V43 WeakPolarHBondContact O-CG2 3.09Å; F39-V43 PolarHBondContact O-N 3.36Å; N40-V43 PolarHBondContact O-N 2.63Å; N40-V43 VanDerWaalsContact O-N 3.1Å; V43-I47 WeakPolarHBondContact O-CG2 3.38Å; V43-V74 HydrophobicContact CG1-CB 3.88Å; V43-V74 HydrophobicContact CG1-CG1 4.44Å; V43-V74 HydrophobicContact CG1-CG2 3.91Å; V43-L127 HydrophobicContact CG2-CD2 4.12Å; V43-R135 HydrophobicContact CG1-CG 3.76Å
44D93.9Very high92.1Very high50 Ų5033.5 Ų33.527%0.26719%0.19SC..Iπ-helixtrans-92.8-33.1-171.9-67.3-33.2000112.4N40 N134 R135N40-D44 WeakPolarHBondContact O-CB 3.48Å; N40-D44 PolarHBondContact O-N 3.23Å; D44-N134 PolarHBondContact OD2-ND2 3.01Å; D44-N134 VanDerWaalsContact OD2-ND2 3.17Å; D44-R135 IonicContact OD1-CZ 3.97Å; D44-R135 IonicContact OD1-NE 3.49Å; D44-R135 IonicContact OD1-NH2 3.6Å; D44-R135 PolarHBondContact OD1-NH2 3.08Å
45V92.5Very high92.2Very high70 Ų7035.2 Ų35.242%0.42420%0.199SC..Iπ-helixtrans-118.4-58.6-172.9-178.60000112.7D41 I47 K48 K49D41-V45 WeakPolarHBondContact O-CB 2.99Å; D41-V45 PolarHBondContact O-N 2.81Å; V45-I47 PolarHBondContact O-N 3.01Å; V45-K48 WeakPolarHBondContact O-CB 3.4Å; V45-K48 PolarHBondContact O-N 3.22Å; V45-K48 VanDerWaalsContact O-N 3.15Å; V45-K49 HydrophobicContact CG1-CD 4.39Å; V45-K49 PolarHBondContact O-N 3.32Å
46E91.7Very high92.1Very high39 Ų3938.1 Ų38.118%0.18222%0.218CC..Iπ-helixtrans-65.7-37.1-169-64.3-64.1115.700113D41 F42 K48 K49 I50 Y199D41-E46 PolarHBondContact O-N 3.32Å; F42-E46 HydrophobicContact CD2-CB 4.11Å; F42-E46 PolarHBondContact O-N 3.45Å; E46-K48 PolarHBondContact O-N 2.9Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 3.03Å; E46-K49 VanDerWaalsContact O-N 3.09Å; E46-K49 WeakPolarHBondContact OE1-CD 3.44Å; E46-K49 IonicContact OE1-NZ 3.71Å; E46-K49 PolarHBondContact OE1-NZ 3.06Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 3.04Å; E46-Y199 PolarHBondContact OE1-OH 2.97Å; E46-Y199 WeakPolarHBondContact OE2-CE1 3.35Å; E46-Y199 PolarHBondContact OE2-OH 3.3Å
47I94Very high91.9Very high0 Ų037.9 Ų37.90%022%0.216CC..Hα-helixtrans-57.2-36.3178.1-162173.1000111.6F42 V43 V45 I50 V51 V72 V74 V104 F365F42-I47 HydrophobicContact CE2-CB 4.38Å; F42-I47 WeakPolarHBondContact O-CB 3.06Å; F42-I47 PolarHBondContact O-N 3.1Å; V43-I47 WeakPolarHBondContact O-CG2 3.38Å; V45-I47 PolarHBondContact O-N 3.01Å; I47-I50 PolarHBondContact O-N 3.43Å; I47-V51 WeakPolarHBondContact O-CG2 3.42Å; I47-V51 PolarHBondContact O-N 3.39Å; I47-V51 VanDerWaalsContact O-N 3.14Å; I47-V72 HydrophobicContact CD1-CG2 4.01Å; I47-V72 HydrophobicContact CG1-CG1 4.24Å; I47-V72 HydrophobicContact CG1-CG2 4.14Å; I47-V72 HydrophobicContact CG2-CG1 4.16Å; I47-V74 HydrophobicContact CD1-CG2 3.78Å; I47-V104 HydrophobicContact CD1-CG1 4.23Å; I47-F365 HydrophobicContact CD1-CE1 4.13Å; I47-F365 HydrophobicContact CD1-CE2 4.32Å; I47-F365 HydrophobicContact CD1-CZ 3.9Å; I47-F365 HydrophobicContact CG1-CD1 4.13Å; I47-F365 HydrophobicContact CG1-CE1 3.56Å; I47-F365 HydrophobicContact CG1-CZ 3.84Å
48K94.3Very high91.7Very high94 Ų9442.2 Ų42.241%0.40923%0.232SC..Hα-helixtrans-69.8-43.2177.2-64.2-177.6175.1-175.90111.5V45 E46 I50 V51 A52 V72V45-K48 WeakPolarHBondContact O-CB 3.4Å; V45-K48 PolarHBondContact O-N 3.22Å; V45-K48 VanDerWaalsContact O-N 3.15Å; E46-K48 PolarHBondContact O-N 2.9Å; K48-I50 VanDerWaalsContact C-N 3.32Å; K48-I50 PolarHBondContact O-N 3.03Å; K48-V51 PolarHBondContact O-N 3.14Å; K48-A52 VanDerWaalsContact O-CB 3.29Å; K48-A52 WeakPolarHBondContact O-CB 3.2Å; K48-A52 PolarHBondContact O-N 2.78Å; K48-V72 HydrophobicContact CB-CG1 4.38Å; K48-V72 HydrophobicContact CG-CG1 3.93Å
49K91.6Very high91.2Very high85 Ų8542.2 Ų42.237%0.3723%0.232SC..Hα-helixtrans-59.8-42.4175-64.7178.8-177.7165.30111.7V45 E46 A52 A53 Y199V45-K49 HydrophobicContact CG1-CD 4.39Å; V45-K49 PolarHBondContact O-N 3.32Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 3.03Å; E46-K49 VanDerWaalsContact O-N 3.09Å; E46-K49 WeakPolarHBondContact OE1-CD 3.44Å; E46-K49 IonicContact OE1-NZ 3.71Å; E46-K49 PolarHBondContact OE1-NZ 3.06Å; K49-A52 PolarHBondContact O-N 3.05Å; K49-A53 WeakPolarHBondContact O-CB 3.36Å; K49-A53 PolarHBondContact O-N 3.34Å; K49-Y199 HydrophobicContact CD-CE1 4.39Å; K49-Y199 HydrophobicContact CD-CE2 4.4Å; K49-Y199 WeakPolarHBondContact CD-OH 3.19Å; K49-Y199 PolarHBondContact NZ-OH 2.98Å
50I91Very high90.7Very high8 Ų851 Ų514%0.04127%0.27CS..Hα-helixtrans-62.8-45178.9-68.5165.9000111.7F42 E46 I47 K48 A53 N54 A362 F365 E366F42-I50 HydrophobicContact CE2-CD1 4.32Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 3.04Å; I47-I50 PolarHBondContact O-N 3.43Å; K48-I50 VanDerWaalsContact C-N 3.32Å; K48-I50 PolarHBondContact O-N 3.03Å; I50-A53 PolarHBondContact O-N 2.99Å; I50-N54 PolarHBondContact O-N 3.35Å; I50-N54 PolarHBondContact O-ND2 2.76Å; I50-A362 HydrophobicContact CD1-CB 4.05Å; I50-A362 WeakPolarHBondContact CD1-O 3.49Å; I50-F365 HydrophobicContact CD1-CD1 4.07Å; I50-F365 HydrophobicContact CG2-CD1 3.97Å; I50-F365 HydrophobicContact CG2-CE1 4.18Å; I50-E366 HydrophobicContact CD1-CB 4.43Å; I50-E366 HydrophobicContact CG1-CB 4.47Å; I50-E366 HydrophobicContact CG2-CB 3.84Å; I50-E366 HydrophobicContact CG2-CG 3.97Å
51V92Very high89.9Confident4 Ų454.6 Ų54.62%0.02429%0.289CS..Hα-helixtrans-69.3-40.8178.7172.90000110.8I47 K48 A53 N54 N55 Y69 V72 F365 F369I47-V51 WeakPolarHBondContact O-CG2 3.42Å; I47-V51 PolarHBondContact O-N 3.39Å; I47-V51 VanDerWaalsContact O-N 3.14Å; K48-V51 PolarHBondContact O-N 3.14Å; V51-A53 VanDerWaalsContact C-N 3.3Å; V51-A53 PolarHBondContact O-N 3.47Å; V51-N54 CarbonylContact O-C 3.55Å; V51-N54 VanDerWaalsContact O-C 3.23Å; V51-N54 PolarHBondContact O-N 3.19Å; V51-N54 VanDerWaalsContact O-N 3.12Å; V51-N55 VanDerWaalsContact O-CA 3.26Å; V51-N55 WeakPolarHBondContact O-CA 3.43Å; V51-N55 WeakPolarHBondContact O-CB 3.49Å; V51-N55 PolarHBondContact O-N 3.09Å; V51-Y69 HydrophobicContact CG1-CG 4.13Å; V51-V72 HydrophobicContact CB-CB 4.4Å; V51-V72 HydrophobicContact CB-CG1 3.91Å; V51-V72 HydrophobicContact CG1-CB 4.49Å; V51-V72 HydrophobicContact CG1-CG1 4.43Å; V51-V72 HydrophobicContact CG2-CB 3.95Å; V51-V72 HydrophobicContact CG2-CG1 3.67Å; V51-V72 HydrophobicContact CG2-CG2 4.23Å; V51-F365 HydrophobicContact CG2-CE1 4.39Å; V51-F369 HydrophobicContact CB-CE1 4.47Å; V51-F369 HydrophobicContact CB-CZ 4.41Å; V51-F369 HydrophobicContact CG1-CE1 4.47Å; V51-F369 HydrophobicContact CG1-CZ 4.1Å; V51-F369 HydrophobicContact CG2-CE1 4.13Å; V51-F369 HydrophobicContact CG2-CE2 4.18Å; V51-F369 HydrophobicContact CG2-CZ 3.91Å
52A91Very high89.1Confident60 Ų6054 Ų5450%0.49629%0.285SS..Hα-helixtrans-58.9-40.1175.200000112.3K48 K49 N54 N55K48-A52 VanDerWaalsContact O-CB 3.29Å; K48-A52 WeakPolarHBondContact O-CB 3.2Å; K48-A52 PolarHBondContact O-N 2.78Å; K49-A52 PolarHBondContact O-N 3.05Å; A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 3.19Å; A52-N55 WeakPolarHBondContact O-CB 3.48Å; A52-N55 VanDerWaalsContact O-CG 3.31Å
53A87.2Confident88.4Confident62 Ų6258.7 Ų58.751%0.51233%0.325SS..Hα-helixtrans-67.6-23.7177.800000113.9K49 I50 V51K49-A53 WeakPolarHBondContact O-CB 3.36Å; K49-A53 PolarHBondContact O-N 3.34Å; I50-A53 PolarHBondContact O-N 2.99Å; V51-A53 VanDerWaalsContact C-N 3.3Å; V51-A53 PolarHBondContact O-N 3.47Å
54N86.7Confident87.6Confident27 Ų2763.7 Ų63.714%0.14435%0.351CS..THydrogen-bonded Turntrans-126.440.1-179.3-57.6-77.3000111.3I50 V51 A52 V56 F369 R370 N373I50-N54 PolarHBondContact O-N 3.35Å; I50-N54 PolarHBondContact O-ND2 2.76Å; V51-N54 CarbonylContact O-C 3.55Å; V51-N54 VanDerWaalsContact O-C 3.23Å; V51-N54 PolarHBondContact O-N 3.19Å; V51-N54 VanDerWaalsContact O-N 3.12Å; A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 3.19Å; N54-V56 PolarHBondContact O-N 3.11Å; N54-F369 HydrophobicContact CB-CD1 4.14Å; N54-F369 HydrophobicContact CB-CE1 3.98Å; N54-R370 PolarHBondContact OD1-NE 3.09Å; N54-R370 PolarHBondContact OD1-NH1 3.06Å; N54-R370 PolarHBondContact OD1-NH2 2.85Å; N54-N373 PolarHBondContact O-ND2 3.12Å
55N88.7Confident87.1Confident57 Ų5761.6 Ų61.631%0.30534%0.34SS..  trans-76.5-16.6-167.363.1-11.8000114.9V51 A52 K68 Y69V51-N55 VanDerWaalsContact O-CA 3.26Å; V51-N55 WeakPolarHBondContact O-CA 3.43Å; V51-N55 WeakPolarHBondContact O-CB 3.49Å; V51-N55 PolarHBondContact O-N 3.09Å; A52-N55 WeakPolarHBondContact O-CB 3.48Å; A52-N55 VanDerWaalsContact O-CG 3.31Å; N55-K68 CarbonylContact O-C 3.58Å; N55-K68 VanDerWaalsContact O-CA 3.29Å; N55-K68 WeakPolarHBondContact O-CA 3.42Å; N55-Y69 WeakPolarHBondContact O-CD2 3.42Å; N55-Y69 PolarHBondContact O-N 2.98Å
56V88.9Confident86.9Confident69 Ų6960.6 Ų60.642%0.41834%0.335SS..EExtended strand (participates in β ladder)trans-116.1129.8-177.1-176.20000111.7N54 K58 L67N54-V56 PolarHBondContact O-N 3.11Å; V56-K58 HydrophobicContact CG1-CG 3.91Å; V56-L67 WeakPolarHBondContact CA-O 3.5Å
57V88.2Confident86.8Confident9 Ų958.8 Ų58.86%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-115.4126.1167.8-173.50000108.3L67 Y69 N373 L376V57-L67 HydrophobicContact CB-CB 4.28Å; V57-L67 PolarHBondContact N-O 2.85Å; V57-L67 PolarHBondContact O-N 3.45Å; V57-Y69 HydrophobicContact CG2-CE2 3.99Å; V57-N373 HydrophobicContact CG2-CB 3.87Å; V57-L376 HydrophobicContact CB-CD2 4.48Å; V57-L376 HydrophobicContact CG1-CD2 3.96Å
58K86.5Confident86.7Confident151 Ų15163.1 Ų63.166%0.65735%0.346SS*.EExtended strand (participates in β ladder)trans-114.4147177.2-62.2-174.7178.2-176.20110V56V56-K58 HydrophobicContact CG1-CG 3.91Å
59S83.6Confident86.7Confident13 Ų1359 Ų599%0.09133%0.328CS..  trans-76.9149.1168.7174.10000110.1I61 D62 F65 D381S59-I61 PolarHBondContact OG-N 3.4Å; S59-I61 VanDerWaalsContact OG-N 3.1Å; S59-D62 WeakPolarHBondContact CB-O 3.41Å; S59-D62 PolarHBondContact OG-N 3.35Å; S59-F65 PolarHBondContact N-O 2.88Å; S59-D381 WeakPolarHBondContact CA-OD1 3.23Å; S59-D381 WeakPolarHBondContact CB-OD1 3.42Å; S59-D381 PolarHBondContact OG-OD1 3.46Å
60K83.3Confident86.8Confident185 Ų18558.9 Ų58.980%0.80433%0.331SS*.SBendtrans-82.9-19.3172-66.3-177.5178.8-175.50112.8D381K60-D381 PolarHBondContact N-OD1 2.94Å
61I79.3Confident86.9Confident88 Ų8861.4 Ų61.445%0.45135%0.345SS..SBendtrans-98.9-50.2-171.9-58.1179.5000109.7S59 D381 L385S59-I61 PolarHBondContact OG-N 3.4Å; S59-I61 VanDerWaalsContact OG-N 3.1Å; I61-D381 HydrophobicContact CD1-CB 3.73Å; I61-D381 WeakPolarHBondContact CD1-O 2.98Å; I61-D381 HydrophobicContact CG1-CB 4.28Å; I61-L385 HydrophobicContact CD1-CD1 3.74Å; I61-L385 HydrophobicContact CD1-CD2 3.91Å; I61-L385 HydrophobicContact CD1-CG 3.58Å
62D77Confident86.9Confident56 Ų5661.3 Ų61.330%0.29934%0.344SS..  trans-105.8111.8178.9-175.211.3000110.8S59 N64 F65S59-D62 WeakPolarHBondContact CB-O 3.41Å; S59-D62 PolarHBondContact OG-N 3.35Å; D62-N64 PolarHBondContact O-N 3.15Å; D62-N64 WeakPolarHBondContact OD1-CB 2.85Å; D62-N64 PolarHBondContact OD1-N 3.12Å; D62-F65 HydrophobicContact CB-CB 4.29Å; D62-F65 PolarHBondContact O-N 3.3Å
63A79.5Confident87.1Confident101 Ų10162.6 Ų62.684%0.83534%0.336SS*.THydrogen-bonded Turntrans-64.3-21.317600000112.8
64N79.6Confident87.4Confident110 Ų11060 Ų6059%0.58831%0.313SS*.THydrogen-bonded Turntrans-82.5-18.4-179.9-63.8-27.2000112.8D62 S66 T111D62-N64 PolarHBondContact O-N 3.15Å; D62-N64 WeakPolarHBondContact OD1-CB 2.85Å; D62-N64 PolarHBondContact OD1-N 3.12Å; N64-S66 PolarHBondContact O-N 3.23Å; N64-T111 WeakPolarHBondContact O-CB 3.43Å; N64-T111 PolarHBondContact O-OG1 3.06Å
65F83.1Confident87.5Confident6 Ų659.3 Ų59.33%0.02631%0.313CS..  trans-81.1117.2177.9-175.5-90.9000111.4S59 D62 L67 T111 V380 M384 F393 I395S59-F65 PolarHBondContact N-O 2.88Å; D62-F65 HydrophobicContact CB-CB 4.29Å; D62-F65 PolarHBondContact O-N 3.3Å; F65-L67 HydrophobicContact CE1-CB 4.41Å; F65-L67 HydrophobicContact CZ-CB 4.5Å; F65-T111 VanDerWaalsContact CA-OG1 3.31Å; F65-T111 WeakPolarHBondContact CA-OG1 3.49Å; F65-T111 WeakPolarHBondContact CD2-O 3.38Å; F65-V380 HydrophobicContact CD1-CG1 3.69Å; F65-V380 HydrophobicContact CD2-CG1 4.45Å; F65-V380 HydrophobicContact CE1-CB 4.31Å; F65-V380 HydrophobicContact CE1-CG1 3.6Å; F65-V380 HydrophobicContact CE1-CG2 3.88Å; F65-V380 HydrophobicContact CE2-CG1 4.36Å; F65-V380 HydrophobicContact CG-CG1 4.11Å; F65-V380 HydrophobicContact CZ-CG1 3.94Å; F65-V380 HydrophobicContact CZ-CG2 3.88Å; F65-M384 HydrophobicContact CD2-CE 3.83Å; F65-M384 HydrophobicContact CE2-CE 4.23Å; F65-M384 HydrophobicContact CG-CE 4.38Å; F65-F393 HydrophobicContact CE2-CD1 4.42Å; F65-F393 AromaticContact CE2-CE1 3.9Å; F65-F393 HydrophobicContact CE2-CE1 3.9Å; F65-F393 HydrophobicContact CZ-CE1 4.2Å; F65-I395 HydrophobicContact CE2-CD1 4.05Å; F65-I395 HydrophobicContact CZ-CD1 3.7Å; F65-I395 HydrophobicContact CZ-CG1 4.45Å
66S87Confident87.5Confident48 Ų4862.6 Ų62.634%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-137.1136.8170.467.90000110.5N64 Y110 T111N64-S66 PolarHBondContact O-N 3.23Å; S66-Y110 VanDerWaalsContact O-CA 3.24Å; S66-Y110 WeakPolarHBondContact O-CA 3.18Å; S66-T111 PolarHBondContact N-OG1 3.13Å; S66-T111 PolarHBondContact O-N 3.03Å; S66-T111 VanDerWaalsContact O-N 3.12Å
67L90Very high86.8Confident1 Ų159.4 Ų59.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-113.4125.6169.9-179.2172.8000107.5V56 V57 F65 Y69 V108 L376 I395V56-L67 WeakPolarHBondContact CA-O 3.5Å; V57-L67 HydrophobicContact CB-CB 4.28Å; V57-L67 PolarHBondContact N-O 2.85Å; V57-L67 PolarHBondContact O-N 3.45Å; F65-L67 HydrophobicContact CE1-CB 4.41Å; F65-L67 HydrophobicContact CZ-CB 4.5Å; L67-Y69 HydrophobicContact CD2-CD1 4.13Å; L67-Y69 HydrophobicContact CD2-CD2 3.93Å; L67-Y69 HydrophobicContact CD2-CE1 3.85Å; L67-Y69 HydrophobicContact CD2-CE2 3.66Å; L67-Y69 HydrophobicContact CD2-CG 4.16Å; L67-V108 HydrophobicContact CD2-CG1 4.15Å; L67-L376 HydrophobicContact CD1-CD1 4.09Å; L67-L376 HydrophobicContact CD1-CD2 3.73Å; L67-I395 HydrophobicContact CB-CD1 4.43Å; L67-I395 HydrophobicContact CD1-CD1 3.83Å; L67-I395 HydrophobicContact CD1-CG2 3.89Å; L67-I395 HydrophobicContact CG-CD1 4.23Å
68K93.1Very high85.7Confident92 Ų9259.2 Ų59.240%0.430%0.303SS..EExtended strand (participates in β ladder)trans-116.9127.1175.7-172.6-180178.6-173.40110.6N55 L70 V108 E109N55-K68 CarbonylContact O-C 3.58Å; N55-K68 VanDerWaalsContact O-CA 3.29Å; N55-K68 WeakPolarHBondContact O-CA 3.42Å; K68-L70 HydrophobicContact CD-CD2 4.4Å; K68-V108 WeakPolarHBondContact O-CA 3.48Å; K68-E109 PolarHBondContact N-O 3.12Å; K68-E109 PolarHBondContact O-N 3.37Å
69Y93.6Very high84.5Confident6 Ų655.8 Ų55.82%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-81.6128.5168.5-60.5-78000109.5V51 N55 V57 L67 V106 V108 F369 N373V51-Y69 HydrophobicContact CG1-CG 4.13Å; N55-Y69 WeakPolarHBondContact O-CD2 3.42Å; N55-Y69 PolarHBondContact O-N 2.98Å; V57-Y69 HydrophobicContact CG2-CE2 3.99Å; L67-Y69 HydrophobicContact CD2-CD1 4.13Å; L67-Y69 HydrophobicContact CD2-CD2 3.93Å; L67-Y69 HydrophobicContact CD2-CE1 3.85Å; L67-Y69 HydrophobicContact CD2-CE2 3.66Å; L67-Y69 HydrophobicContact CD2-CG 4.16Å; Y69-V106 HydrophobicContact CD1-CB 4.24Å; Y69-V106 HydrophobicContact CD1-CG1 4.5Å; Y69-V106 HydrophobicContact CD1-CG2 4.14Å; Y69-V106 HydrophobicContact CE1-CG2 4.16Å; Y69-V108 HydrophobicContact CD1-CG1 3.47Å; Y69-V108 VanDerWaalsContact CD1-CG1 3.47Å; Y69-V108 HydrophobicContact CE1-CG1 3.71Å; Y69-V108 HydrophobicContact CG-CG1 4.43Å; Y69-F369 HydrophobicContact CD1-CZ 4.33Å; Y69-F369 HydrophobicContact CD2-CE1 4.43Å; Y69-F369 AromaticContact CD2-CZ 3.78Å; Y69-F369 HydrophobicContact CD2-CZ 3.78Å; Y69-F369 HydrophobicContact CE1-CE2 4.33Å; Y69-F369 HydrophobicContact CE1-CZ 4.17Å; Y69-F369 HydrophobicContact CE2-CE1 4.29Å; Y69-F369 HydrophobicContact CE2-CE2 4.36Å; Y69-F369 AromaticContact CE2-CZ 3.58Å; Y69-F369 HydrophobicContact CE2-CZ 3.58Å; Y69-F369 HydrophobicContact CG-CZ 4.16Å; Y69-F369 AromaticContact CZ-CZ 3.79Å; Y69-N373 VanDerWaalsContact CE2-OD1 3.31Å; Y69-N373 WeakPolarHBondContact CE2-OD1 3.48Å; Y69-N373 PolarHBondContact OH-OD1 3.49Å
70L92.7Very high83.5Confident84 Ų8460 Ų6044%0.4431%0.312SS..EExtended strand (participates in β ladder)trans-94.4-55.6-179.9-61.7178.1000111.3K68 D107 E109K68-L70 HydrophobicContact CD-CD2 4.4Å; L70-D107 HydrophobicContact CB-CB 4.17Å; L70-D107 PolarHBondContact N-O 2.92Å; L70-E109 HydrophobicContact CD1-CB 4.35Å; L70-E109 HydrophobicContact CD2-CB 4.49Å; L70-E109 HydrophobicContact CG-CB 4.43Å
71D93Very high82.1Confident61 Ų6156.7 Ų56.733%0.32630%0.303SS..EExtended strand (participates in β ladder)trans-146.8163.2177.7-163.414.8000110.7V106 D107D71-V106 WeakPolarHBondContact O-CA 3.36Å; D71-D107 PolarHBondContact O-N 2.79Å
72V94Very high80.5Confident1 Ų154.8 Ų54.81%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-135.6141.1177.959.50000109.9I47 K48 V51 V104 V106I47-V72 HydrophobicContact CD1-CG2 4.01Å; I47-V72 HydrophobicContact CG1-CG1 4.24Å; I47-V72 HydrophobicContact CG1-CG2 4.14Å; I47-V72 HydrophobicContact CG2-CG1 4.16Å; K48-V72 HydrophobicContact CB-CG1 4.38Å; K48-V72 HydrophobicContact CG-CG1 3.93Å; V51-V72 HydrophobicContact CB-CB 4.4Å; V51-V72 HydrophobicContact CB-CG1 3.91Å; V51-V72 HydrophobicContact CG1-CB 4.49Å; V51-V72 HydrophobicContact CG1-CG1 4.43Å; V51-V72 HydrophobicContact CG2-CB 3.95Å; V51-V72 HydrophobicContact CG2-CG1 3.67Å; V51-V72 HydrophobicContact CG2-CG2 4.23Å; V72-V104 HydrophobicContact CG2-CG1 3.86Å; V72-V106 HydrophobicContact CB-CG1 4.01Å; V72-V106 HydrophobicContact CG2-CG1 3.82Å
73R94.2Very high78.9Confident87 Ų8760.8 Ų60.833%0.32834%0.336SS..EExtended strand (participates in β ladder)trans-149.4151.1177.561.8-158.6-151.3-104.5-0.6112V105 D107 D121R73-V105 HydrophobicContact CG-CG2 3.34Å; R73-V105 PolarHBondContact N-O 3.14Å; R73-V105 PolarHBondContact O-N 3.44Å; R73-D107 IonicContact NH1-OD1 2.97Å; R73-D107 PolarHBondContact NH1-OD1 3.32Å; R73-D107 IonicContact NH1-OD2 3.9Å; R73-D107 PolarHBondContact NH1-OD2 2.82Å; R73-D121 IonicContact CZ-OD1 3.03Å; R73-D121 IonicContact CZ-OD2 3.9Å; R73-D121 IonicContact NH1-OD1 2.8Å; R73-D121 PolarHBondContact NH1-OD1 2.92Å; R73-D121 IonicContact NH2-OD1 2.59Å; R73-D121 PolarHBondContact NH2-OD1 3.15Å; R73-D121 IonicContact NH2-OD2 2.79Å; R73-D121 PolarHBondContact NH2-OD2 3.28Å
74V92.8Very high77.5Confident7 Ų761.9 Ų61.94%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-102.9125.6178.2-174.60000108.1V43 I47 A102 V104 L127 I129V43-V74 HydrophobicContact CG1-CB 3.88Å; V43-V74 HydrophobicContact CG1-CG1 4.44Å; V43-V74 HydrophobicContact CG1-CG2 3.91Å; I47-V74 HydrophobicContact CD1-CG2 3.78Å; V74-A102 HydrophobicContact CG1-CB 4Å; V74-V104 HydrophobicContact CG2-CG2 4.45Å; V74-L127 HydrophobicContact CG1-CD2 3.98Å; V74-L127 HydrophobicContact CG2-CD2 3.95Å; V74-I129 HydrophobicContact CG1-CD1 3.95Å
75G89.8Confident76.3Confident14 Ų1462.5 Ų62.514%0.14433%0.331CS..  trans-69.8-172.6174.900000112.9A102 P103G75-A102 VanDerWaalsContact O-CB 3.22Å; G75-A102 WeakPolarHBondContact O-CB 3.49Å; G75-P103 PolarHBondContact N-O 3.18Å
76Y87.4Confident75Confident126 Ų12666.6 Ų66.649%0.49436%0.36SS..  trans-85.3150.4171.3-68.9-84.3000111.2G78 M79 A102Y76-G78 PolarHBondContact O-N 3.31Å; Y76-M79 PolarHBondContact O-N 3.34Å; Y76-A102 WeakPolarHBondContact O-CB 3.27Å
77A75.3Confident74.3Confident2 Ų268 Ų682%0.01737%0.369CS..THydrogen-bonded Turntrans-61.4137.3176.100000110.8M79 Y100 I129 R135A77-M79 VanDerWaalsContact C-N 3.34Å; A77-Y100 HydrophobicContact CB-CD1 4.2Å; A77-Y100 HydrophobicContact CB-CD2 4.05Å; A77-Y100 HydrophobicContact CB-CE1 3.56Å; A77-Y100 HydrophobicContact CB-CE2 3.39Å; A77-Y100 HydrophobicContact CB-CG 4.42Å; A77-Y100 VanDerWaalsContact CB-OH 3.31Å; A77-Y100 WeakPolarHBondContact CB-OH 3.29Å; A77-I129 HydrophobicContact CB-CB 4.3Å; A77-I129 HydrophobicContact CB-CG1 4.18Å; A77-R135 PolarHBondContact N-O 3.47Å
78G65.4Low74.1Confident5 Ų569.4 Ų69.45%0.05238%0.377CS..THydrogen-bonded Turntrans87.8-10.3-178.500000115.8Y76 N80 C86 S101Y76-G78 PolarHBondContact O-N 3.31Å; G78-N80 PolarHBondContact O-N 3.29Å; G78-C86 VanDerWaalsContact O-O 3.11Å; G78-S101 PolarHBondContact N-O 3.28Å
79M61.9Low74Confident79 Ų7965.9 Ų65.939%0.38936%0.363SS..  trans-65.3111.4173.3-155.2124.289.700109.4Y76 A77 P103 R126Y76-M79 PolarHBondContact O-N 3.34Å; A77-M79 VanDerWaalsContact C-N 3.34Å; M79-P103 HydrophobicContact CB-CG 4.26Å; M79-R126 PolarHBondContact O-NH1 2.91Å
80N61.4Low74Confident100 Ų10065.6 Ų65.654%0.53536%0.362SS..  trans-95.1141.9165.2-84.6-16.4000107.6G78 G82G78-N80 PolarHBondContact O-N 3.29Å; N80-G82 PolarHBondContact O-N 3.13Å
81N54.3Low74Confident117 Ų11764 Ų6463%0.62635%0.352SS*.SBendtrans-71.720.9-180-62.89.7000113.2
82G46.6Very low74Confident48 Ų4864.9 Ų64.950%0.49535%0.354SS..SBendtrans-98.1170.317600000111.4N80 D84N80-G82 PolarHBondContact O-N 3.13Å; G82-D84 PolarHBondContact O-N 2.86Å; G82-D84 VanDerWaalsContact O-N 3.07Å
83L43.1Very low74Confident182 Ų18264.8 Ų64.895%0.95335%0.354SS*.SBendtrans-58.6-19.4178.6-78.5119.4000113.8N85L83-N85 PolarHBondContact O-N 3.31Å
84D49.2Very low74Confident123 Ų12362.8 Ų62.866%0.65835%0.346SS*.  trans-92.497.3177.9-64.2-25.7000110.8G82 C86G82-D84 PolarHBondContact O-N 2.86Å; G82-D84 VanDerWaalsContact O-N 3.07Å; D84-C86 PolarHBondContact O-N 3.02Å
85N54.7Low74Confident124 Ų12468.2 Ų68.266%0.66337%0.374SS*.  trans-7052.5166.1-77.6-25.1000111.3L83 S87L83-N85 PolarHBondContact O-N 3.31Å; N85-S87 PolarHBondContact O-N 3.49Å
86C55.7Low74.2Confident92 Ų9272.4 Ų72.462%0.62239%0.39SS*.  trans-75.5104.8175.7-78.40000109.7G78 D84 I88G78-C86 VanDerWaalsContact O-O 3.11Å; D84-C86 PolarHBondContact O-N 3.02Å; C86-I88 PolarHBondContact O-N 3.17Å; C86-I88 VanDerWaalsContact O-N 3.09Å
87S73Confident74.5Confident76 Ų7672 Ų7253%0.53140%0.396SS..  trans-64.2107170.456.40000109.7N85N85-S87 PolarHBondContact O-N 3.49Å
88I85.6Confident75.3Confident32 Ų3276.7 Ų76.716%0.16442%0.416CS..  trans-70.5133.2174.1-159.1167.4000109.8C86 E92 C93 K98 Y100C86-I88 PolarHBondContact O-N 3.17Å; C86-I88 VanDerWaalsContact O-N 3.09Å; I88-E92 HydrophobicContact CG1-CB 4.01Å; I88-E92 WeakPolarHBondContact CG1-OE2 3.34Å; I88-C93 VanDerWaalsContact CD1-SG 3.51Å; I88-K98 HydrophobicContact CD1-CD 4.06Å; I88-Y100 HydrophobicContact CG2-CD2 4.12Å; I88-Y100 HydrophobicContact CG2-CE2 4.22Å
89T91Very high76.7Confident18 Ų1878.3 Ų78.311%0.1143%0.425CS..  trans-84.1152.3173.961.70000110.7H91 E92 C93 M149T89-H91 PolarHBondContact O-N 2.74Å; T89-E92 PolarHBondContact N-OE2 3.18Å; T89-E92 VanDerWaalsContact N-OE2 3.11Å; T89-E92 PolarHBondContact O-N 3.13Å; T89-E92 VanDerWaalsContact OG1-CD 3.3Å; T89-E92 WeakPolarHBondContact OG1-CG 3.46Å; T89-E92 PolarHBondContact OG1-N 3.25Å; T89-C93 PolarHBondContact O-N 2.87Å; T89-C93 VanDerWaalsContact O-N 3.14Å; T89-M149 HydrophobicContact CG2-CB 4.3Å; T89-M149 HydrophobicContact CG2-CG 4.21Å
90P93Very high78.2Confident0 Ų074.6 Ų74.60%041%0.407CS..Hα-helixtrans-57.9-37.9173.8-23.435.1000111.9E92 C93 R94 Y100 L131 L138 E151 I161P90-E92 PolarHBondContact O-N 3.08Å; P90-C93 WeakPolarHBondContact O-CB 3.19Å; P90-C93 PolarHBondContact O-N 2.94Å; P90-C93 VanDerWaalsContact O-N 3.13Å; P90-R94 WeakPolarHBondContact O-CG 3.5Å; P90-R94 PolarHBondContact O-N 3.1Å; P90-Y100 HydrophobicContact CG-CD2 4.37Å; P90-Y100 HydrophobicContact CG-CE1 4.43Å; P90-Y100 HydrophobicContact CG-CE2 3.92Å; P90-L131 HydrophobicContact CB-CD2 4Å; P90-L131 HydrophobicContact CB-CG 4.42Å; P90-L131 HydrophobicContact CG-CD2 4.41Å; P90-L138 HydrophobicContact CG-CD1 3.95Å; P90-L138 HydrophobicContact CG-CD2 4.24Å; P90-L138 HydrophobicContact CG-CG 4.02Å; P90-E151 WeakPolarHBondContact CB-OE1 3.16Å; P90-I161 HydrophobicContact CB-CD1 3.59Å
91H93.5Very high79.8Confident50 Ų5070.5 Ų70.523%0.23139%0.386CS..Hα-helixtrans-56.3-46.3173.4-169.679.2000113.3T89 C93 R94 L95 K150 E151T89-H91 PolarHBondContact O-N 2.74Å; H91-C93 VanDerWaalsContact C-N 3.31Å; H91-C93 PolarHBondContact O-N 2.84Å; H91-R94 PolarHBondContact O-N 2.9Å; H91-L95 PolarHBondContact O-N 3.23Å; H91-L95 VanDerWaalsContact O-N 3.11Å; H91-K150 HydrophobicContact CB-CB 4.48Å; H91-E151 WeakPolarHBondContact CB-OE1 3.34Å; H91-E151 PolarHBondContact N-OE1 3.17Å
92E92.3Very high81.7Confident79 Ų7964.9 Ų64.937%0.36936%0.356SS..Hα-helixtrans-61.8-38.5174.4-75.4165.6179.400112.4I88 T89 P90 R94 L95 Q96I88-E92 HydrophobicContact CG1-CB 4.01Å; I88-E92 WeakPolarHBondContact CG1-OE2 3.34Å; T89-E92 PolarHBondContact N-OE2 3.18Å; T89-E92 VanDerWaalsContact N-OE2 3.11Å; T89-E92 PolarHBondContact O-N 3.13Å; T89-E92 VanDerWaalsContact OG1-CD 3.3Å; T89-E92 WeakPolarHBondContact OG1-CG 3.46Å; T89-E92 PolarHBondContact OG1-N 3.25Å; P90-E92 PolarHBondContact O-N 3.08Å; E92-R94 VanDerWaalsContact C-N 3.33Å; E92-R94 PolarHBondContact O-N 3.27Å; E92-L95 PolarHBondContact O-N 3.19Å; E92-Q96 VanDerWaalsContact O-CB 3.3Å; E92-Q96 WeakPolarHBondContact O-CB 3.43Å; E92-Q96 WeakPolarHBondContact O-CG 3.38Å; E92-Q96 PolarHBondContact O-N 3.38Å
93C93.4Very high83.9Confident0 Ų063 Ų630%034%0.335CS..Hα-helixtrans-62-39.9175.1-70.10000112.4I88 T89 P90 H91 N97 K98 I161I88-C93 VanDerWaalsContact CD1-SG 3.51Å; T89-C93 PolarHBondContact O-N 2.87Å; T89-C93 VanDerWaalsContact O-N 3.14Å; P90-C93 WeakPolarHBondContact O-CB 3.19Å; P90-C93 PolarHBondContact O-N 2.94Å; P90-C93 VanDerWaalsContact O-N 3.13Å; H91-C93 VanDerWaalsContact C-N 3.31Å; H91-C93 PolarHBondContact O-N 2.84Å; C93-N97 PolarHBondContact O-N 2.96Å; C93-K98 HydrophobicContact CB-CB 4.46Å; C93-K98 PolarHBondContact O-N 3.28Å; C93-I161 HydrophobicContact CB-CG2 4Å
94R94Very high86.3Confident44 Ų4454.3 Ų54.317%0.16629%0.289CS..Hα-helixtrans-61.7-50.7175.8-63.5-175.4-166.895.2-15.7110.9P90 H91 E92 N97 E151 Y159 I161 E166P90-R94 WeakPolarHBondContact O-CG 3.5Å; P90-R94 PolarHBondContact O-N 3.1Å; H91-R94 PolarHBondContact O-N 2.9Å; E92-R94 VanDerWaalsContact C-N 3.33Å; E92-R94 PolarHBondContact O-N 3.27Å; R94-N97 PolarHBondContact O-N 3.34Å; R94-E151 IonicContact CZ-OE1 3.65Å; R94-E151 IonicContact CZ-OE2 3.26Å; R94-E151 IonicContact NH1-OE1 2.66Å; R94-E151 PolarHBondContact NH1-OE1 3.46Å; R94-E151 IonicContact NH1-OE2 3.73Å; R94-E151 PolarHBondContact NH1-OE2 3.45Å; R94-E151 IonicContact NH2-OE1 2.94Å; R94-E151 IonicContact NH2-OE2 3.64Å; R94-E151 PolarHBondContact NH2-OE2 2.97Å; R94-E151 VanDerWaalsContact NH2-OE2 3.14Å; R94-Y159 PolarHBondContact NH2-OH 3.2Å; R94-I161 HydrophobicContact CG-CD1 3.9Å; R94-I161 HydrophobicContact CG-CG1 4.38Å; R94-I161 HydrophobicContact CG-CG2 4.3Å; R94-E166 WeakPolarHBondContact CD-OE1 3.49Å; R94-E166 IonicContact CZ-OE1 2.69Å; R94-E166 IonicContact NE-OE1 3.53Å; R94-E166 PolarHBondContact NE-OE1 3.04Å; R94-E166 IonicContact NH2-OE1 3.14Å
95L94.5Very high88.4Confident122 Ų12249.2 Ų49.264%0.63926%0.263SS*.Hα-helixtrans-66.5-39.2-177.8-67.1179.1000113.3H91 E92 N97H91-L95 PolarHBondContact O-N 3.23Å; H91-L95 VanDerWaalsContact O-N 3.11Å; E92-L95 PolarHBondContact O-N 3.19Å; L95-N97 VanDerWaalsContact C-N 3.29Å; L95-N97 PolarHBondContact O-N 3.45Å
96Q93.4Very high90.3Very high101 Ų10143.3 Ų43.347%0.47223%0.231SC..THydrogen-bonded Turntrans-886.1-176.4-63.1-1804.800113.4E92 K98E92-Q96 VanDerWaalsContact O-CB 3.3Å; E92-Q96 WeakPolarHBondContact O-CB 3.43Å; E92-Q96 WeakPolarHBondContact O-CG 3.38Å; E92-Q96 PolarHBondContact O-N 3.38Å; Q96-K98 HydrophobicContact CB-CD 4.02Å; Q96-K98 HydrophobicContact CB-CG 3.96Å; Q96-K98 PolarHBondContact O-N 3.2Å
97N93.3Very high92.1Very high117 Ų11740.2 Ų40.263%0.62621%0.209SC*.THydrogen-bonded Turntrans51.135.6-172.8-63-43000113.2C93 R94 L95 G163C93-N97 PolarHBondContact O-N 2.96Å; R94-N97 PolarHBondContact O-N 3.34Å; L95-N97 VanDerWaalsContact C-N 3.29Å; L95-N97 PolarHBondContact O-N 3.45Å; N97-G163 CarbonylContact O-C 3.51Å; N97-G163 WeakPolarHBondContact O-CA 3.37Å
98K92.4Very high93.1Very high102 Ų10236.7 Ų36.744%0.44318%0.184SC..  trans-95.1160.4178.5-71.8179.5179.9170.20110.8I88 C93 Q96 G164I88-K98 HydrophobicContact CD1-CD 4.06Å; C93-K98 HydrophobicContact CB-CB 4.46Å; C93-K98 PolarHBondContact O-N 3.28Å; Q96-K98 HydrophobicContact CB-CD 4.02Å; Q96-K98 HydrophobicContact CB-CG 3.96Å; Q96-K98 PolarHBondContact O-N 3.2Å; K98-G164 PolarHBondContact O-N 3.42Å
99T94.1Very high93.4Very high39 Ų3936.9 Ų36.924%0.23918%0.184CC..  trans-93.1124.7173.5-61.40000110S101 P128 I161 I162 G163 T409T99-S101 PolarHBondContact O-N 2.93Å; T99-S101 VanDerWaalsContact O-N 3.15Å; T99-S101 PolarHBondContact O-OG 2.92Å; T99-P128 HydrophobicContact CG2-CG 4.44Å; T99-I161 WeakPolarHBondContact CA-O 3.4Å; T99-I162 HydrophobicContact CG2-CB 4.48Å; T99-I162 HydrophobicContact CG2-CG1 4.17Å; T99-I162 HydrophobicContact CG2-CG2 4.41Å; T99-G163 PolarHBondContact OG1-N 3.25Å; T99-T409 HydrophobicContact CG2-CG2 4.48Å
100Y94.6Very high93.3Very high0 Ų036.1 Ų36.10%018%0.179CC..  trans-74.3104.9176.4-173.4-111.7000109.4A77 I88 P90 P128 I129 C136 V137 I161A77-Y100 HydrophobicContact CB-CD1 4.2Å; A77-Y100 HydrophobicContact CB-CD2 4.05Å; A77-Y100 HydrophobicContact CB-CE1 3.56Å; A77-Y100 HydrophobicContact CB-CE2 3.39Å; A77-Y100 HydrophobicContact CB-CG 4.42Å; A77-Y100 VanDerWaalsContact CB-OH 3.31Å; A77-Y100 WeakPolarHBondContact CB-OH 3.29Å; I88-Y100 HydrophobicContact CG2-CD2 4.12Å; I88-Y100 HydrophobicContact CG2-CE2 4.22Å; P90-Y100 HydrophobicContact CG-CD2 4.37Å; P90-Y100 HydrophobicContact CG-CE1 4.43Å; P90-Y100 HydrophobicContact CG-CE2 3.92Å; Y100-P128 WeakPolarHBondContact O-CA 3.34Å; Y100-I129 HydrophobicContact CD1-CB 4Å; Y100-I129 HydrophobicContact CD1-CG2 4.45Å; Y100-I129 WeakPolarHBondContact CD1-O 3.28Å; Y100-I129 HydrophobicContact CE1-CB 3.93Å; Y100-I129 HydrophobicContact CE1-CG2 3.92Å; Y100-I129 PolarHBondContact O-N 3.2Å; Y100-C136 PolarHBondContact OH-SG 3.22Å; Y100-C136 VanDerWaalsContact OH-SG 3.38Å; Y100-V137 PolarHBondContact OH-N 3.15Å; Y100-V137 VanDerWaalsContact OH-N 3.09Å; Y100-I161 PolarHBondContact N-O 3.43Å
101S94.1Very high93Very high14 Ų1437.5 Ų37.510%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-145.4154.5-170590000112.4G78 T99 R126 L127G78-S101 PolarHBondContact N-O 3.28Å; T99-S101 PolarHBondContact O-N 2.93Å; T99-S101 VanDerWaalsContact O-N 3.15Å; T99-S101 PolarHBondContact O-OG 2.92Å; S101-R126 PolarHBondContact O-NH2 2.81Å; S101-R126 PolarHBondContact OG-NE 3.12Å; S101-L127 CarbonylContact C-O 3.29Å; S101-L127 WeakPolarHBondContact CA-O 3.36Å; S101-L127 WeakPolarHBondContact CB-O 3.49Å
102A93.3Very high92.1Very high0 Ų038.4 Ų38.40%019%0.189CC..EExtended strand (participates in β ladder)trans-116.8150.9174.900000111.5V74 G75 Y76 R126 L127 I129V74-A102 HydrophobicContact CG1-CB 4Å; G75-A102 VanDerWaalsContact O-CB 3.22Å; G75-A102 WeakPolarHBondContact O-CB 3.49Å; Y76-A102 WeakPolarHBondContact O-CB 3.27Å; A102-R126 CarbonylContact O-C 3.52Å; A102-R126 VanDerWaalsContact O-CA 3.23Å; A102-R126 WeakPolarHBondContact O-CA 3.24Å; A102-L127 PolarHBondContact N-O 3.37Å; A102-L127 PolarHBondContact O-N 3.43Å; A102-I129 HydrophobicContact CB-CD1 3.84Å; A102-I129 HydrophobicContact CB-CG1 3.62Å
103P93.2Very high91.2Very high7 Ų737.4 Ų37.45%0.04520%0.2CC..EExtended strand (participates in β ladder)trans-69.5135.9173.829.2-33.4000111.1G75 M79 V105G75-P103 PolarHBondContact N-O 3.18Å; M79-P103 HydrophobicContact CB-CG 4.26Å; P103-V105 HydrophobicContact CB-CG1 4.47Å
104V94.3Very high90.3Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-95.5119.4167.7-1750000107.4I47 V72 V74 P123 I124 G125 L127I47-V104 HydrophobicContact CD1-CG1 4.23Å; V72-V104 HydrophobicContact CG2-CG1 3.86Å; V74-V104 HydrophobicContact CG2-CG2 4.45Å; V104-P123 WeakPolarHBondContact O-CA 3.25Å; V104-I124 HydrophobicContact CB-CD1 4.48Å; V104-I124 HydrophobicContact CB-CG1 4.01Å; V104-I124 HydrophobicContact CG1-CD1 3.81Å; V104-I124 HydrophobicContact CG1-CG1 3.82Å; V104-I124 WeakPolarHBondContact O-CG1 3.06Å; V104-I124 PolarHBondContact O-N 2.81Å; V104-G125 PolarHBondContact N-O 2.81Å; V104-L127 HydrophobicContact CG2-CB 3.63Å
105V93.8Very high89.8Confident17 Ų1749.6 Ų49.610%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-116.3143.9-178.5-57.80000110.2R73 P103 L122 P123R73-V105 HydrophobicContact CG-CG2 3.34Å; R73-V105 PolarHBondContact N-O 3.14Å; R73-V105 PolarHBondContact O-N 3.44Å; P103-V105 HydrophobicContact CB-CG1 4.47Å; V105-L122 WeakPolarHBondContact CA-O 3.09Å; V105-P123 HydrophobicContact CG1-CB 4.38Å
106V94.1Very high89.4Confident0 Ų048 Ų480%026%0.26CS..EExtended strand (participates in β ladder)trans-128.3151.2179.5-62.60000110.7Y69 D71 V72 V108 L122 I124Y69-V106 HydrophobicContact CD1-CB 4.24Å; Y69-V106 HydrophobicContact CD1-CG1 4.5Å; Y69-V106 HydrophobicContact CD1-CG2 4.14Å; Y69-V106 HydrophobicContact CE1-CG2 4.16Å; D71-V106 WeakPolarHBondContact O-CA 3.36Å; V72-V106 HydrophobicContact CB-CG1 4.01Å; V72-V106 HydrophobicContact CG2-CG1 3.82Å; V106-V108 HydrophobicContact CG2-CG1 3.82Å; V106-L122 HydrophobicContact CG2-CB 4.3Å; V106-L122 PolarHBondContact N-O 3.44Å; V106-L122 WeakPolarHBondContact O-CB 3.42Å; V106-L122 PolarHBondContact O-N 2.96Å; V106-I124 HydrophobicContact CB-CG2 4.44Å; V106-I124 HydrophobicContact CG1-CD1 3.63Å; V106-I124 HydrophobicContact CG1-CG1 4.09Å; V106-I124 HydrophobicContact CG1-CG2 4.15Å; V106-I124 HydrophobicContact CG2-CG2 3.44Å; V106-I124 VanDerWaalsContact CG2-CG2 3.44Å
107D94Very high89.2Confident27 Ų2744.7 Ų44.714%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-100.9124.4171.6-58.9-24.5000107.9L70 D71 R73 R119 I120 D121L70-D107 HydrophobicContact CB-CB 4.17Å; L70-D107 PolarHBondContact N-O 2.92Å; D71-D107 PolarHBondContact O-N 2.79Å; R73-D107 IonicContact NH1-OD1 2.97Å; R73-D107 PolarHBondContact NH1-OD1 3.32Å; R73-D107 IonicContact NH1-OD2 3.9Å; R73-D107 PolarHBondContact NH1-OD2 2.82Å; D107-R119 WeakPolarHBondContact CA-O 3.36Å; D107-I120 WeakPolarHBondContact OD1-CA 3.48Å; D107-I120 WeakPolarHBondContact OD1-CG2 3.29Å; D107-D121 PolarHBondContact OD1-N 2.86Å
108V93.2Very high89.1Confident1 Ų147 Ų471%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-125.4143.8-174.2-66.20000111.8L67 K68 Y69 V106 R118 R119 L122L67-V108 HydrophobicContact CD2-CG1 4.15Å; K68-V108 WeakPolarHBondContact O-CA 3.48Å; Y69-V108 HydrophobicContact CD1-CG1 3.47Å; Y69-V108 VanDerWaalsContact CD1-CG1 3.47Å; Y69-V108 HydrophobicContact CE1-CG1 3.71Å; Y69-V108 HydrophobicContact CG-CG1 4.43Å; V106-V108 HydrophobicContact CG2-CG1 3.82Å; V108-R118 WeakPolarHBondContact O-CA 3.42Å; V108-R119 HydrophobicContact CG2-CB 3.84Å; V108-R119 PolarHBondContact N-O 2.85Å; V108-R119 PolarHBondContact O-N 3.16Å; V108-L122 HydrophobicContact CG2-CD2 3.69Å
109E92.6Very high88.9Confident37 Ų3747.2 Ų47.217%0.17324%0.244CC..EExtended strand (participates in β ladder)trans-118.9124.7171.2-177.7169.2-134.400107.9K68 L70 V116 V117 R118K68-E109 PolarHBondContact N-O 3.12Å; K68-E109 PolarHBondContact O-N 3.37Å; L70-E109 HydrophobicContact CD1-CB 4.35Å; L70-E109 HydrophobicContact CD2-CB 4.49Å; L70-E109 HydrophobicContact CG-CB 4.43Å; E109-V116 HydrophobicContact CG-CG1 3.37Å; E109-V116 WeakPolarHBondContact OE1-CG1 3.22Å; E109-V117 WeakPolarHBondContact CA-O 3.25Å; E109-R118 HydrophobicContact CB-CG 4.25Å; E109-R118 HydrophobicContact CG-CG 4.06Å; E109-R118 IonicContact OE1-CZ 2.83Å; E109-R118 VanDerWaalsContact OE1-CZ 3.28Å; E109-R118 IonicContact OE1-NE 3.3Å; E109-R118 PolarHBondContact OE1-NE 2.7Å; E109-R118 IonicContact OE1-NH2 3.49Å; E109-R118 PolarHBondContact OE1-NH2 3.21Å; E109-R118 IonicContact OE2-NH2 3.28Å
110Y89.2Confident88.7Confident2 Ų251.3 Ų51.31%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-139.6153-179.871.7-85.2000113S66 R112 V117 R119 D394 I395S66-Y110 VanDerWaalsContact O-CA 3.24Å; S66-Y110 WeakPolarHBondContact O-CA 3.18Å; Y110-R112 HydrophobicContact CD2-CB 4.39Å; Y110-R112 HydrophobicContact CE2-CB 4.01Å; Y110-V117 HydrophobicContact CD1-CB 4.27Å; Y110-V117 WeakPolarHBondContact CD1-O 3.48Å; Y110-V117 HydrophobicContact CE1-CB 3.82Å; Y110-V117 HydrophobicContact CE1-CG1 3.75Å; Y110-V117 HydrophobicContact CE2-CB 4.26Å; Y110-V117 PolarHBondContact N-O 2.77Å; Y110-V117 PolarHBondContact O-N 3.11Å; Y110-R119 HydrophobicContact CE1-CG 3.94Å; Y110-D394 PolarHBondContact OH-OD1 3.05Å; Y110-I395 HydrophobicContact CD1-CD1 3.64Å; Y110-I395 HydrophobicContact CD1-CG1 4.16Å; Y110-I395 HydrophobicContact CD2-CD1 3.3Å; Y110-I395 HydrophobicContact CD2-CG1 3.7Å; Y110-I395 HydrophobicContact CE1-CB 4.4Å; Y110-I395 HydrophobicContact CE1-CD1 4.23Å; Y110-I395 HydrophobicContact CE1-CG1 4.24Å; Y110-I395 HydrophobicContact CE2-CD1 3.93Å; Y110-I395 HydrophobicContact CE2-CG1 3.78Å; Y110-I395 HydrophobicContact CG-CD1 3.13Å; Y110-I395 HydrophobicContact CG-CG1 3.89Å
111T85.1Confident88.4Confident29 Ų2955.2 Ų55.218%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-87.3129.4176490000110.9N64 F65 S66 E115 V116N64-T111 WeakPolarHBondContact O-CB 3.43Å; N64-T111 PolarHBondContact O-OG1 3.06Å; F65-T111 VanDerWaalsContact CA-OG1 3.31Å; F65-T111 WeakPolarHBondContact CA-OG1 3.49Å; F65-T111 WeakPolarHBondContact CD2-O 3.38Å; S66-T111 PolarHBondContact N-OG1 3.13Å; S66-T111 PolarHBondContact O-N 3.03Å; S66-T111 VanDerWaalsContact O-N 3.12Å; T111-E115 WeakPolarHBondContact CA-O 3.27Å; T111-V116 HydrophobicContact CG2-CG2 4.32Å
112R76.3Confident88.3Confident68 Ų6855.2 Ų55.226%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-122.891.5175-176.2168.9161.3-136.7-48.3108.4Y110 N114 E115 V117 K392 F393Y110-R112 HydrophobicContact CD2-CB 4.39Å; Y110-R112 HydrophobicContact CE2-CB 4.01Å; R112-N114 PolarHBondContact O-N 2.93Å; R112-E115 PolarHBondContact N-O 3.47Å; R112-E115 PolarHBondContact O-N 3.35Å; R112-V117 HydrophobicContact CB-CG2 4.03Å; R112-K392 VanDerWaalsContact CZ-CB 3.41Å; R112-K392 VanDerWaalsContact NH2-CE 3.33Å; R112-F393 WeakPolarHBondContact CD-O 3.43Å
113G72.6Confident88.2Confident59 Ų5956.2 Ų56.261%0.60829%0.289SS*.THydrogen-bonded Turntrans63.6-119.4-166.900000109.8
114N74.9Confident88.2Confident170 Ų17055.9 Ų55.991%0.90929%0.287SS*.THydrogen-bonded Turntrans-93.6-3.2178.7-65.1-7000113.6R112R112-N114 PolarHBondContact O-N 2.93Å
115E83.3Confident88.1Confident130 Ų13056.1 Ų56.161%0.60729%0.29SS*.EExtended strand (participates in β ladder)trans-98.6138.6-178.4-66.6179.5171.700111.3T111 R112T111-E115 WeakPolarHBondContact CA-O 3.27Å; R112-E115 PolarHBondContact N-O 3.47Å; R112-E115 PolarHBondContact O-N 3.35Å
116V86.4Confident88.1Confident88 Ų8858.1 Ų58.153%0.53330%0.295SS..EExtended strand (participates in β ladder)trans-93115.1169.8-179.30000108.2E109 T111E109-V116 HydrophobicContact CG-CG1 3.37Å; E109-V116 WeakPolarHBondContact OE1-CG1 3.22Å; T111-V116 HydrophobicContact CG2-CG2 4.32Å
117V88.4Confident88.1Confident31 Ų3158.2 Ų58.219%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-104.6130.6-179.5-178.50000109.3E109 Y110 R112E109-V117 WeakPolarHBondContact CA-O 3.25Å; Y110-V117 HydrophobicContact CD1-CB 4.27Å; Y110-V117 WeakPolarHBondContact CD1-O 3.48Å; Y110-V117 HydrophobicContact CE1-CB 3.82Å; Y110-V117 HydrophobicContact CE1-CG1 3.75Å; Y110-V117 HydrophobicContact CE2-CB 4.26Å; Y110-V117 PolarHBondContact N-O 2.77Å; Y110-V117 PolarHBondContact O-N 3.11Å; R112-V117 HydrophobicContact CB-CG2 4.03Å
118R91.1Very high88.2Confident167 Ų16757 Ų5763%0.6329%0.289SS*.EExtended strand (participates in β ladder)trans-105132173.3-67.1-177.2178.7-176.3-1.9110.4V108 E109V108-R118 WeakPolarHBondContact O-CA 3.42Å; E109-R118 HydrophobicContact CB-CG 4.25Å; E109-R118 HydrophobicContact CG-CG 4.06Å; E109-R118 IonicContact OE1-CZ 2.83Å; E109-R118 VanDerWaalsContact OE1-CZ 3.28Å; E109-R118 IonicContact OE1-NE 3.3Å; E109-R118 PolarHBondContact OE1-NE 2.7Å; E109-R118 IonicContact OE1-NH2 3.49Å; E109-R118 PolarHBondContact OE1-NH2 3.21Å; E109-R118 IonicContact OE2-NH2 3.28Å
119R89.3Confident88.3Confident105 Ų10557 Ų5740%0.39629%0.289SS..EExtended strand (participates in β ladder)trans-121.5126.7171.7-66.6-67.9-162.7-179.23.8108.2D107 V108 Y110 D394D107-R119 WeakPolarHBondContact CA-O 3.36Å; V108-R119 HydrophobicContact CG2-CB 3.84Å; V108-R119 PolarHBondContact N-O 2.85Å; V108-R119 PolarHBondContact O-N 3.16Å; Y110-R119 HydrophobicContact CE1-CG 3.94Å; R119-D394 IonicContact CZ-OD2 3.6Å; R119-D394 IonicContact NE-OD1 3.92Å; R119-D394 IonicContact NE-OD2 3.81Å; R119-D394 IonicContact NH2-OD2 2.69Å; R119-D394 PolarHBondContact NH2-OD2 3.48Å
120I89.7Confident88.5Confident126 Ų12655.2 Ų55.265%0.64628%0.281SS*.EExtended strand (participates in β ladder)trans-102.3145.1178.4-47.3174.5000106.4D107 L122D107-I120 WeakPolarHBondContact OD1-CA 3.48Å; D107-I120 WeakPolarHBondContact OD1-CG2 3.29Å; I120-L122 PolarHBondContact O-N 3.33Å
121D88.7Confident88.7Confident81 Ų8155.1 Ų55.143%0.43328%0.281SS..EExtended strand (participates in β ladder)trans68.632.6170.8-5813.5000114.6R73 D107 P123R73-D121 IonicContact CZ-OD1 3.03Å; R73-D121 IonicContact CZ-OD2 3.9Å; R73-D121 IonicContact NH1-OD1 2.8Å; R73-D121 PolarHBondContact NH1-OD1 2.92Å; R73-D121 IonicContact NH2-OD1 2.59Å; R73-D121 PolarHBondContact NH2-OD1 3.15Å; R73-D121 IonicContact NH2-OD2 2.79Å; R73-D121 PolarHBondContact NH2-OD2 3.28Å; D107-D121 PolarHBondContact OD1-N 2.86Å; D121-P123 VanDerWaalsContact O-CD 3.25Å; D121-P123 WeakPolarHBondContact O-CD 3.05Å
122L90.4Very high89Confident14 Ų1457.5 Ų57.57%0.07329%0.286CS..EExtended strand (participates in β ladder)trans-78.2117.5-176.7-170.263.5000110.6V105 V106 V108 I120 I124 A396 I399V105-L122 WeakPolarHBondContact CA-O 3.09Å; V106-L122 HydrophobicContact CG2-CB 4.3Å; V106-L122 PolarHBondContact N-O 3.44Å; V106-L122 WeakPolarHBondContact O-CB 3.42Å; V106-L122 PolarHBondContact O-N 2.96Å; V108-L122 HydrophobicContact CG2-CD2 3.69Å; I120-L122 PolarHBondContact O-N 3.33Å; L122-I124 PolarHBondContact O-N 3.08Å; L122-A396 HydrophobicContact CD1-CB 3.61Å; L122-I399 HydrophobicContact CD1-CD1 4.49Å; L122-I399 HydrophobicContact CD2-CD1 3.19Å; L122-I399 HydrophobicContact CG-CD1 3.73Å
123P91.4Very high89.8Confident21 Ų2154.2 Ų54.214%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-75.3121-177.529.9-35.9000111.5V104 V105 D121 K401V104-P123 WeakPolarHBondContact O-CA 3.25Å; V105-P123 HydrophobicContact CG1-CB 4.38Å; D121-P123 VanDerWaalsContact O-CD 3.25Å; D121-P123 WeakPolarHBondContact O-CD 3.05Å; P123-K401 WeakPolarHBondContact O-CE 3.38Å
124I92.9Very high90.8Very high0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-98.7-13.8178.157.6165.6000113.5V104 V106 L122 F369 L372 I399 K401 I404V104-I124 HydrophobicContact CB-CD1 4.48Å; V104-I124 HydrophobicContact CB-CG1 4.01Å; V104-I124 HydrophobicContact CG1-CD1 3.81Å; V104-I124 HydrophobicContact CG1-CG1 3.82Å; V104-I124 WeakPolarHBondContact O-CG1 3.06Å; V104-I124 PolarHBondContact O-N 2.81Å; V106-I124 HydrophobicContact CB-CG2 4.44Å; V106-I124 HydrophobicContact CG1-CD1 3.63Å; V106-I124 HydrophobicContact CG1-CG1 4.09Å; V106-I124 HydrophobicContact CG1-CG2 4.15Å; V106-I124 HydrophobicContact CG2-CG2 3.44Å; V106-I124 VanDerWaalsContact CG2-CG2 3.44Å; L122-I124 PolarHBondContact O-N 3.08Å; I124-F369 HydrophobicContact CD1-CD2 4.39Å; I124-F369 HydrophobicContact CD1-CE2 4.23Å; I124-L372 HydrophobicContact CB-CD2 4.39Å; I124-I399 HydrophobicContact CB-CG2 4.5Å; I124-I399 HydrophobicContact CG2-CD1 4.4Å; I124-I399 HydrophobicContact CG2-CG2 4.22Å; I124-K401 WeakPolarHBondContact O-CA 3.47Å; I124-I404 HydrophobicContact CB-CD1 4.27Å; I124-I404 HydrophobicContact CD1-CD1 3.71Å; I124-I404 HydrophobicContact CG1-CD1 4.09Å
125G92.9Very high91.6Very high5 Ų549.8 Ų49.85%0.05223%0.232CC..EExtended strand (participates in β ladder)trans166.4-169.6-179.600000112.1V104 T405V104-G125 PolarHBondContact N-O 2.81Å; G125-T405 WeakPolarHBondContact CA-OG1 3.49Å
126R93.7Very high92Very high60 Ų6043.9 Ų43.923%0.22621%0.205CC..EExtended strand (participates in β ladder)trans-122.5139.2173.3-56.1-176.668.987.4-0.8110.8M79 S101 A102 T405M79-R126 PolarHBondContact O-NH1 2.91Å; S101-R126 PolarHBondContact O-NH2 2.81Å; S101-R126 PolarHBondContact OG-NE 3.12Å; A102-R126 CarbonylContact O-C 3.52Å; A102-R126 VanDerWaalsContact O-CA 3.23Å; A102-R126 WeakPolarHBondContact O-CA 3.24Å; R126-T405 HydrophobicContact CB-CG2 4.02Å; R126-T405 HydrophobicContact CG-CG2 4.5Å; R126-T405 PolarHBondContact N-OG1 2.97Å
127L95Very high92.3Very high2 Ų241.3 Ų41.31%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-106.6125.5176.9178.366.9000109.1F39 F42 V43 V74 S101 A102 V104 I129 I361 L408F39-L127 HydrophobicContact CZ-CD2 4.46Å; F42-L127 HydrophobicContact CE1-CD1 4.12Å; F42-L127 HydrophobicContact CE1-CD2 3.92Å; V43-L127 HydrophobicContact CG2-CD2 4.12Å; V74-L127 HydrophobicContact CG1-CD2 3.98Å; V74-L127 HydrophobicContact CG2-CD2 3.95Å; S101-L127 CarbonylContact C-O 3.29Å; S101-L127 WeakPolarHBondContact CA-O 3.36Å; S101-L127 WeakPolarHBondContact CB-O 3.49Å; A102-L127 PolarHBondContact N-O 3.37Å; A102-L127 PolarHBondContact O-N 3.43Å; V104-L127 HydrophobicContact CG2-CB 3.63Å; L127-I129 HydrophobicContact CD2-CD1 4.29Å; L127-I129 HydrophobicContact CG-CD1 4.37Å; L127-I129 PolarHBondContact O-N 3.24Å; L127-I361 HydrophobicContact CD1-CG2 4.29Å; L127-L408 HydrophobicContact CD1-CD1 3.68Å
128P95.8Very high92.4Very high1 Ų140.3 Ų40.31%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-59.8129.7168.6-24.836.1000111T99 Y100 F160 L408 I412T99-P128 HydrophobicContact CG2-CG 4.44Å; Y100-P128 WeakPolarHBondContact O-CA 3.34Å; P128-F160 HydrophobicContact CB-CD1 4.09Å; P128-L408 HydrophobicContact CG-CB 4.49Å; P128-I412 HydrophobicContact CB-CD1 4.26Å; P128-I412 HydrophobicContact CG-CD1 4.19Å
129I95.9Very high92.3Very high0 Ų035.2 Ų35.20%017%0.17CC..PPolyproline II helixtrans-99.6134.2-176.5-62-55.3000109.8F39 V74 A77 Y100 A102 L127 S133 R135 C136F39-I129 HydrophobicContact CE1-CD1 4.42Å; F39-I129 HydrophobicContact CZ-CD1 4.21Å; V74-I129 HydrophobicContact CG1-CD1 3.95Å; A77-I129 HydrophobicContact CB-CB 4.3Å; A77-I129 HydrophobicContact CB-CG1 4.18Å; Y100-I129 HydrophobicContact CD1-CB 4Å; Y100-I129 HydrophobicContact CD1-CG2 4.45Å; Y100-I129 WeakPolarHBondContact CD1-O 3.28Å; Y100-I129 HydrophobicContact CE1-CB 3.93Å; Y100-I129 HydrophobicContact CE1-CG2 3.92Å; Y100-I129 PolarHBondContact O-N 3.2Å; A102-I129 HydrophobicContact CB-CD1 3.84Å; A102-I129 HydrophobicContact CB-CG1 3.62Å; L127-I129 HydrophobicContact CD2-CD1 4.29Å; L127-I129 HydrophobicContact CG-CD1 4.37Å; L127-I129 PolarHBondContact O-N 3.24Å; I129-S133 WeakPolarHBondContact CG2-OG 3.48Å; I129-R135 HydrophobicContact CD1-CB 4.17Å; I129-R135 HydrophobicContact CG2-CB 4.2Å; I129-C136 HydrophobicContact CG2-CB 4.27Å
130M95.2Very high92.2Very high1 Ų134.1 Ų34.11%0.00519%0.191CC..PPolyproline II helixtrans-73.8136.9175-175.5-178.8-79.400110V36 F39 R132 S133 F160 A357V36-M130 HydrophobicContact CG2-SD 4.11Å; F39-M130 HydrophobicContact CB-CB 4.49Å; F39-M130 HydrophobicContact CB-CE 3.99Å; F39-M130 HydrophobicContact CB-SD 3.91Å; F39-M130 HydrophobicContact CD1-CB 3.71Å; F39-M130 HydrophobicContact CD2-CB 4.3Å; F39-M130 HydrophobicContact CD2-CE 4.48Å; F39-M130 HydrophobicContact CE1-CB 3.92Å; F39-M130 HydrophobicContact CE2-CB 4.49Å; F39-M130 HydrophobicContact CG-CB 3.9Å; F39-M130 HydrophobicContact CG-CE 4.33Å; F39-M130 HydrophobicContact CG-SD 4.32Å; F39-M130 HydrophobicContact CZ-CB 4.32Å; M130-R132 PolarHBondContact O-N 2.87Å; M130-S133 WeakPolarHBondContact O-CB 3.35Å; M130-S133 PolarHBondContact O-N 3.37Å; M130-S133 PolarHBondContact O-OG 3.28Å; M130-F160 HydrophobicContact CB-CD1 4.31Å; M130-F160 HydrophobicContact CB-CE1 3.76Å; M130-F160 HydrophobicContact CB-CZ 3.9Å; M130-F160 HydrophobicContact CE-CE2 3.67Å; M130-F160 HydrophobicContact CE-CZ 3.66Å; M130-F160 HydrophobicContact CG-CZ 4.42Å; M130-A357 HydrophobicContact CE-CB 3.66Å
131L93.8Very high92.2Very high0 Ų032.1 Ų32.10%018%0.178CC..THydrogen-bonded Turntrans-62.8137.6176.6-80.680.9000110.4P90 S133 L138 G158 Y159 I161P90-L131 HydrophobicContact CB-CD2 4Å; P90-L131 HydrophobicContact CB-CG 4.42Å; P90-L131 HydrophobicContact CG-CD2 4.41Å; L131-S133 PolarHBondContact O-N 3.4Å; L131-L138 HydrophobicContact CD2-CD1 4.2Å; L131-G158 PolarHBondContact O-N 3.4Å; L131-Y159 HydrophobicContact CD1-CD2 4.08Å; L131-Y159 HydrophobicContact CD1-CE2 3.98Å; L131-Y159 WeakPolarHBondContact CD1-O 3.1Å; L131-Y159 HydrophobicContact CD2-CE2 3.83Å; L131-Y159 HydrophobicContact CG-CE2 4.43Å; L131-Y159 PolarHBondContact N-O 3.14Å; L131-I161 HydrophobicContact CD1-CD1 3.81Å; L131-I161 HydrophobicContact CD1-CG1 3.85Å; L131-I161 HydrophobicContact CD2-CD1 4.22Å
132R91.5Very high92.4Very high78 Ų7830.9 Ų30.929%0.29418%0.176SC..THydrogen-bonded Turntrans66.112.8-174.9-57.9-172169.7-158.2-4.1116.2V36 M130 C136 T139 H153 D155V36-R132 WeakPolarHBondContact CG1-O 3.24Å; M130-R132 PolarHBondContact O-N 2.87Å; R132-C136 PolarHBondContact N-SG 3.31Å; R132-C136 VanDerWaalsContact N-SG 3.42Å; R132-T139 VanDerWaalsContact C-OG1 3.29Å; R132-T139 PolarHBondContact O-OG1 2.93Å; R132-H153 PolarHBondContact NH2-O 2.76Å; R132-D155 PolarHBondContact NE-O 2.73Å; R132-D155 VanDerWaalsContact NE-O 3.08Å; R132-D155 PolarHBondContact NH1-O 3.22Å; R132-D155 PolarHBondContact NH2-O 3.46Å
133S93.6Very high92.5Very high0 Ų033.1 Ų33.10%020%0.196CC..SBendtrans-73.9168.5166.664.80000112.8N40 I129 M130 L131 R135 C136 T139N40-S133 WeakPolarHBondContact OD1-CA 3.49Å; N40-S133 WeakPolarHBondContact OD1-CB 2.97Å; I129-S133 WeakPolarHBondContact CG2-OG 3.48Å; M130-S133 WeakPolarHBondContact O-CB 3.35Å; M130-S133 PolarHBondContact O-N 3.37Å; M130-S133 PolarHBondContact O-OG 3.28Å; L131-S133 PolarHBondContact O-N 3.4Å; S133-R135 PolarHBondContact O-N 3.05Å; S133-C136 VanDerWaalsContact O-CB 3.28Å; S133-C136 WeakPolarHBondContact O-CB 3.44Å; S133-C136 PolarHBondContact O-N 3.37Å; S133-T139 PolarHBondContact O-OG1 3.4Å
134N92.1Very high92.6Very high74 Ų7440 Ų4040%0.39623%0.226SC..THydrogen-bonded Turntrans-56.2-26.7178.8-70.5-9.4000113.4N40 D44N40-N134 VanDerWaalsContact CG-CG 3.45Å; N40-N134 PolarHBondContact ND2-OD1 2.99Å; N40-N134 PolarHBondContact OD1-N 2.92Å; D44-N134 PolarHBondContact OD2-ND2 3.01Å; D44-N134 VanDerWaalsContact OD2-ND2 3.17Å
135R92.1Very high92.6Very high62 Ų6243.5 Ų43.523%0.23424%0.243CC..THydrogen-bonded Turntrans-97.23.3179.4-53.4-58.1173.2-178.2-3.3113.8V43 D44 A77 I129 S133V43-R135 HydrophobicContact CG1-CG 3.76Å; D44-R135 IonicContact OD1-CZ 3.97Å; D44-R135 IonicContact OD1-NE 3.49Å; D44-R135 IonicContact OD1-NH2 3.6Å; D44-R135 PolarHBondContact OD1-NH2 3.08Å; A77-R135 PolarHBondContact N-O 3.47Å; I129-R135 HydrophobicContact CD1-CB 4.17Å; I129-R135 HydrophobicContact CG2-CB 4.2Å; S133-R135 PolarHBondContact O-N 3.05Å
136C92.6Very high92.6Very high6 Ų643.7 Ų43.74%0.04124%0.243CC..SBendtrans-86.5141.7176.3-173.60000111Y100 I129 R132 S133 L138 T139Y100-C136 PolarHBondContact OH-SG 3.22Å; Y100-C136 VanDerWaalsContact OH-SG 3.38Å; I129-C136 HydrophobicContact CG2-CB 4.27Å; R132-C136 PolarHBondContact N-SG 3.31Å; R132-C136 VanDerWaalsContact N-SG 3.42Å; S133-C136 VanDerWaalsContact O-CB 3.28Å; S133-C136 WeakPolarHBondContact O-CB 3.44Å; S133-C136 PolarHBondContact O-N 3.37Å; C136-L138 PolarHBondContact O-N 3.08Å; C136-T139 PolarHBondContact O-N 3.44Å
137V91.5Very high92.5Very high33 Ų3343.1 Ų43.120%0.226%0.255CS..THydrogen-bonded Turntrans-65.8-22178.5179.70000112.4Y100 T139 K141 M149Y100-V137 PolarHBondContact OH-N 3.15Å; Y100-V137 VanDerWaalsContact OH-N 3.09Å; V137-T139 VanDerWaalsContact C-N 3.33Å; V137-T139 PolarHBondContact O-N 2.93Å; V137-K141 WeakPolarHBondContact O-CG 3.45Å; V137-M149 HydrophobicContact CG1-SD 4.02Å
138L91.1Very high92.4Very high10 Ų1047.6 Ų47.65%0.05229%0.287CS..THydrogen-bonded Turntrans-78.6-14.7-177.4-54.7-175.1000113.9P90 L131 C136 K141 L146 M149 E151P90-L138 HydrophobicContact CG-CD1 3.95Å; P90-L138 HydrophobicContact CG-CD2 4.24Å; P90-L138 HydrophobicContact CG-CG 4.02Å; L131-L138 HydrophobicContact CD2-CD1 4.2Å; C136-L138 PolarHBondContact O-N 3.08Å; L138-K141 PolarHBondContact O-N 2.94Å; L138-L146 HydrophobicContact CB-CD2 4.11Å; L138-L146 HydrophobicContact CD2-CD2 3.88Å; L138-L146 HydrophobicContact CG-CD2 4.46Å; L138-M149 HydrophobicContact CD2-CE 3.9Å; L138-M149 HydrophobicContact CD2-SD 4.06Å; L138-E151 HydrophobicContact CD1-CG 4.13Å; L138-E151 HydrophobicContact CD2-CB 4.39Å; L138-E151 HydrophobicContact CD2-CG 3.82Å
139T88.9Confident92.2Very high61 Ų6148.8 Ų48.837%0.37429%0.292SS..THydrogen-bonded Turntrans-75129.9-172-57.10000110.7R132 S133 C136 V137 K141R132-T139 VanDerWaalsContact C-OG1 3.29Å; R132-T139 PolarHBondContact O-OG1 2.93Å; S133-T139 PolarHBondContact O-OG1 3.4Å; C136-T139 PolarHBondContact O-N 3.44Å; V137-T139 VanDerWaalsContact C-N 3.33Å; V137-T139 PolarHBondContact O-N 2.93Å; T139-K141 VanDerWaalsContact C-N 3.3Å; T139-K141 PolarHBondContact O-N 2.75Å
140G86.9Confident92Very high81 Ų8155.9 Ų55.984%0.83532%0.323SS*.THydrogen-bonded Turntrans77.210.6-179.100000115
141K90.4Very high91.9Very high85 Ų8556.8 Ų56.837%0.3733%0.327SS..  trans-87.8141.8-179.6-65.3-64.2-169.3-176.50112.4V137 L138 T139 E145 L146 M149V137-K141 WeakPolarHBondContact O-CG 3.45Å; L138-K141 PolarHBondContact O-N 2.94Å; T139-K141 VanDerWaalsContact C-N 3.3Å; T139-K141 PolarHBondContact O-N 2.75Å; K141-E145 VanDerWaalsContact CA-OE2 3.28Å; K141-E145 WeakPolarHBondContact CA-OE2 3.42Å; K141-E145 HydrophobicContact CB-CB 4.12Å; K141-E145 HydrophobicContact CD-CB 4.12Å; K141-E145 VanDerWaalsContact CD-CD 3.46Å; K141-E145 HydrophobicContact CD-CG 4.43Å; K141-E145 WeakPolarHBondContact CD-OE1 3.49Å; K141-E145 WeakPolarHBondContact CD-OE2 3.44Å; K141-E145 IonicContact NZ-OE1 2.85Å; K141-E145 PolarHBondContact NZ-OE1 3.12Å; K141-E145 IonicContact NZ-OE2 2.84Å; K141-L146 HydrophobicContact CB-CD2 4.08Å; K141-L146 HydrophobicContact CB-CG 4.13Å; K141-M149 HydrophobicContact CB-CE 4.05Å; K141-M149 HydrophobicContact CD-CE 4.3Å; K141-M149 HydrophobicContact CG-CE 3.76Å
142S92.9Very high91.8Very high55 Ų5560 Ų6039%0.38535%0.349SS..  trans-71.1163.4175.681.80000111.4E144 E145 L146S142-E144 PolarHBondContact O-N 3.37Å; S142-E144 PolarHBondContact OG-N 3.33Å; S142-E145 PolarHBondContact N-OE2 3.14Å; S142-E145 PolarHBondContact O-N 3.33Å; S142-E145 PolarHBondContact OG-N 3.45Å; S142-L146 WeakPolarHBondContact O-CG 3.24Å; S142-L146 PolarHBondContact O-N 3.46Å
143A91.9Very high91.7Very high60 Ų6061.3 Ų61.350%0.49636%0.358SS..Hα-helixtrans-58.4-32.5176.500000112.7G147 H153A143-G147 PolarHBondContact O-N 3.42Å; A143-H153 HydrophobicContact CB-CB 4.12Å
144E93.8Very high91.4Very high166 Ų16665.8 Ų65.878%0.77638%0.382SS*.Hα-helixtrans-71.6-42.4176.8-62.8-179.7176.100112S142 L146 G147 S148S142-E144 PolarHBondContact O-N 3.37Å; S142-E144 PolarHBondContact OG-N 3.33Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-G147 WeakPolarHBondContact O-CA 3.14Å; E144-G147 PolarHBondContact O-N 2.74Å; E144-S148 PolarHBondContact O-N 3.2Å
145E93Very high91.2Very high73 Ų7363.6 Ų63.634%0.34137%0.37SS..Hα-helixtrans-65.7-36.5174.8-68.6-179.5113.400111.8K141 S142 G147 S148 M149K141-E145 VanDerWaalsContact CA-OE2 3.28Å; K141-E145 WeakPolarHBondContact CA-OE2 3.42Å; K141-E145 HydrophobicContact CB-CB 4.12Å; K141-E145 HydrophobicContact CD-CB 4.12Å; K141-E145 VanDerWaalsContact CD-CD 3.46Å; K141-E145 HydrophobicContact CD-CG 4.43Å; K141-E145 WeakPolarHBondContact CD-OE1 3.49Å; K141-E145 WeakPolarHBondContact CD-OE2 3.44Å; K141-E145 IonicContact NZ-OE1 2.85Å; K141-E145 PolarHBondContact NZ-OE1 3.12Å; K141-E145 IonicContact NZ-OE2 2.84Å; S142-E145 PolarHBondContact N-OE2 3.14Å; S142-E145 PolarHBondContact O-N 3.33Å; S142-E145 PolarHBondContact OG-N 3.45Å; E145-G147 VanDerWaalsContact C-N 3.32Å; E145-S148 PolarHBondContact O-N 2.98Å; E145-S148 PolarHBondContact O-OG 3.07Å; E145-M149 VanDerWaalsContact O-CE 3.29Å; E145-M149 WeakPolarHBondContact O-CE 3.35Å; E145-M149 WeakPolarHBondContact O-CG 3.38Å; E145-M149 PolarHBondContact O-N 2.94Å; E145-M149 VanDerWaalsContact O-N 3.13Å
146L92.4Very high90.8Very high10 Ų1061.5 Ų61.55%0.05237%0.365CS..Hα-helixtrans-64.4-40.4172.1-68.8173000111.1L138 K141 S142 E144 S148 M149 K150 E151 H153L138-L146 HydrophobicContact CB-CD2 4.11Å; L138-L146 HydrophobicContact CD2-CD2 3.88Å; L138-L146 HydrophobicContact CG-CD2 4.46Å; K141-L146 HydrophobicContact CB-CD2 4.08Å; K141-L146 HydrophobicContact CB-CG 4.13Å; S142-L146 WeakPolarHBondContact O-CG 3.24Å; S142-L146 PolarHBondContact O-N 3.46Å; E144-L146 VanDerWaalsContact C-N 3.33Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.39Å; L146-M149 HydrophobicContact CD2-CE 3.91Å; L146-M149 CarbonylContact O-C 3.54Å; L146-M149 PolarHBondContact O-N 3.45Å; L146-K150 PolarHBondContact O-N 3.01Å; L146-K150 VanDerWaalsContact O-N 3.1Å; L146-E151 CarbonylContact C-O 3.6Å; L146-E151 HydrophobicContact CD2-CB 4.35Å; L146-E151 PolarHBondContact O-N 3.31Å; L146-H153 HydrophobicContact CD1-CB 3.92Å
147G92.5Very high90.7Very high47 Ų4761.2 Ų61.249%0.48536%0.363SS..Hα-helixtrans-58.6-42.6173.300000112.8A143 E144 E145 M149 K150A143-G147 PolarHBondContact O-N 3.42Å; E144-G147 WeakPolarHBondContact O-CA 3.14Å; E144-G147 PolarHBondContact O-N 2.74Å; E145-G147 VanDerWaalsContact C-N 3.32Å; G147-M149 VanDerWaalsContact C-N 3.3Å; G147-M149 PolarHBondContact O-N 3.18Å; G147-K150 PolarHBondContact O-N 3.04Å
148S92.3Very high90.6Very high97 Ų9759.7 Ų59.768%0.67835%0.354SS*.Hα-helixtrans-66.9-31.4177.1750000112.7E144 E145 L146 K150E144-S148 PolarHBondContact O-N 3.2Å; E145-S148 PolarHBondContact O-N 2.98Å; E145-S148 PolarHBondContact O-OG 3.07Å; L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.39Å; S148-K150 VanDerWaalsContact C-N 3.27Å; S148-K150 PolarHBondContact O-N 3.11Å
149M91.1Very high90.7Very high25 Ų2559.5 Ų59.512%0.12335%0.353CS..THydrogen-bonded Turntrans-82.22.5172.6-65.2-175.5-75.600114.2T89 V137 L138 K141 E145 L146 G147 E151T89-M149 HydrophobicContact CG2-CB 4.3Å; T89-M149 HydrophobicContact CG2-CG 4.21Å; V137-M149 HydrophobicContact CG1-SD 4.02Å; L138-M149 HydrophobicContact CD2-CE 3.9Å; L138-M149 HydrophobicContact CD2-SD 4.06Å; K141-M149 HydrophobicContact CB-CE 4.05Å; K141-M149 HydrophobicContact CD-CE 4.3Å; K141-M149 HydrophobicContact CG-CE 3.76Å; E145-M149 VanDerWaalsContact O-CE 3.29Å; E145-M149 WeakPolarHBondContact O-CE 3.35Å; E145-M149 WeakPolarHBondContact O-CG 3.38Å; E145-M149 PolarHBondContact O-N 2.94Å; E145-M149 VanDerWaalsContact O-N 3.13Å; L146-M149 HydrophobicContact CD2-CE 3.91Å; L146-M149 CarbonylContact O-C 3.54Å; L146-M149 PolarHBondContact O-N 3.45Å; G147-M149 VanDerWaalsContact C-N 3.3Å; G147-M149 PolarHBondContact O-N 3.18Å; M149-E151 VanDerWaalsContact C-N 3.28Å; M149-E151 PolarHBondContact O-N 2.96Å
150K93.4Very high91Very high149 Ų14956.6 Ų56.665%0.64834%0.335SS*.THydrogen-bonded Turntrans59.833-177.1-53.6178.2-179.8177.40114H91 L146 G147 S148H91-K150 HydrophobicContact CB-CB 4.48Å; L146-K150 PolarHBondContact O-N 3.01Å; L146-K150 VanDerWaalsContact O-N 3.1Å; G147-K150 PolarHBondContact O-N 3.04Å; S148-K150 VanDerWaalsContact C-N 3.27Å; S148-K150 PolarHBondContact O-N 3.11Å
151E93.1Very high91.5Very high20 Ų2052.7 Ų52.79%0.09330%0.295CS..  trans-110.2150.5175.2-66.1-67.2168.700111.4P90 H91 R94 L138 L146 M149P90-E151 WeakPolarHBondContact CB-OE1 3.16Å; H91-E151 WeakPolarHBondContact CB-OE1 3.34Å; H91-E151 PolarHBondContact N-OE1 3.17Å; R94-E151 IonicContact CZ-OE1 3.65Å; R94-E151 IonicContact CZ-OE2 3.26Å; R94-E151 IonicContact NH1-OE1 2.66Å; R94-E151 PolarHBondContact NH1-OE1 3.46Å; R94-E151 IonicContact NH1-OE2 3.73Å; R94-E151 PolarHBondContact NH1-OE2 3.45Å; R94-E151 IonicContact NH2-OE1 2.94Å; R94-E151 IonicContact NH2-OE2 3.64Å; R94-E151 PolarHBondContact NH2-OE2 2.97Å; R94-E151 VanDerWaalsContact NH2-OE2 3.14Å; L138-E151 HydrophobicContact CD1-CG 4.13Å; L138-E151 HydrophobicContact CD2-CB 4.39Å; L138-E151 HydrophobicContact CD2-CG 3.82Å; L146-E151 CarbonylContact C-O 3.6Å; L146-E151 HydrophobicContact CD2-CB 4.35Å; L146-E151 PolarHBondContact O-N 3.31Å; M149-E151 VanDerWaalsContact C-N 3.28Å; M149-E151 PolarHBondContact O-N 2.96Å
152C90.9Very high91.7Very high69 Ų6949 Ų4947%0.46628%0.279SS..  trans-84.2132.7177.1-172.30000111.2L154 D155C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.06Å; C152-L154 PolarHBondContact SG-N 2.86Å; C152-D155 HydrophobicContact CB-CB 4.24Å; C152-D155 WeakPolarHBondContact O-CB 3.29Å; C152-D155 PolarHBondContact O-N 3.39Å
153H88.5Confident91.7Very high104 Ų10447.8 Ų47.848%0.48128%0.276SS..THydrogen-bonded Turntrans-69.2-25.1175.366.6-86.6000113.3R132 A143 L146R132-H153 PolarHBondContact NH2-O 2.76Å; A143-H153 HydrophobicContact CB-CB 4.12Å; L146-H153 HydrophobicContact CD1-CB 3.92Å
154L87.6Confident91.7Very high94 Ų9445.7 Ų45.749%0.49226%0.259SS..THydrogen-bonded Turntrans-84.6-8.2177.2-60.1176.6000113.8C152 P156 Y438C152-L154 VanDerWaalsContact C-N 3.28Å; C152-L154 PolarHBondContact O-N 3.06Å; C152-L154 PolarHBondContact SG-N 2.86Å; L154-P156 WeakPolarHBondContact O-CD 3.36Å; L154-Y438 HydrophobicContact CB-CE2 4.03Å; L154-Y438 VanDerWaalsContact O-CE2 3.3Å; L154-Y438 WeakPolarHBondContact O-CE2 3.29Å; L154-Y438 PolarHBondContact O-OH 2.73Å
155D88.7Confident91.7Very high28 Ų2842 Ų4215%0.1524%0.243CC..  trans-63.4121.3176.8177.915.3000109.6R132 C152 G157 Y159R132-D155 PolarHBondContact NE-O 2.73Å; R132-D155 VanDerWaalsContact NE-O 3.08Å; R132-D155 PolarHBondContact NH1-O 3.22Å; R132-D155 PolarHBondContact NH2-O 3.46Å; C152-D155 HydrophobicContact CB-CB 4.24Å; C152-D155 WeakPolarHBondContact O-CB 3.29Å; C152-D155 PolarHBondContact O-N 3.39Å; D155-G157 PolarHBondContact O-N 2.79Å; D155-G157 PolarHBondContact OD1-N 3.46Å; D155-Y159 PolarHBondContact OD2-OH 3Å
156P84.4Confident91.7Very high18 Ų1840.6 Ų40.612%0.11724%0.237CC..  trans-61.3-26.2-178.621.8-35000114.2M32 L154 F442 M445M32-P156 HydrophobicContact CG-CB 3.82Å; L154-P156 WeakPolarHBondContact O-CD 3.36Å; P156-F442 HydrophobicContact CB-CE1 3.82Å; P156-F442 HydrophobicContact CB-CE2 4.09Å; P156-F442 HydrophobicContact CB-CZ 3.54Å; P156-F442 VanDerWaalsContact CD-CE2 3.44Å; P156-F442 HydrophobicContact CG-CD2 4.19Å; P156-F442 HydrophobicContact CG-CE1 4.12Å; P156-F442 HydrophobicContact CG-CE2 3.57Å; P156-F442 HydrophobicContact CG-CZ 3.58Å; P156-M445 HydrophobicContact CB-SD 3.85Å; P156-M445 HydrophobicContact CG-CE 3.61Å; P156-M445 HydrophobicContact CG-SD 3.27Å; P156-M445 WeakPolarHBondContact CG-SD 3.3Å
157G88.9Confident91.8Very high0 Ų041.7 Ų41.70%024%0.24CC..  trans67.8-158.3-169.600000112.6D155D155-G157 PolarHBondContact O-N 2.79Å; D155-G157 PolarHBondContact OD1-N 3.46Å
158G90Very high91.8Very high2 Ų239.6 Ų39.62%0.02122%0.218CC..  trans8411.3179.300000115.6L131L131-G158 PolarHBondContact O-N 3.4Å
159Y93.9Very high91.8Very high5 Ų535 Ų352%0.0219%0.186CC..  trans-122.1172.3175.159.8-90000111.3R94 L131 D155 I161 E166 V433 M445R94-Y159 PolarHBondContact NH2-OH 3.2Å; L131-Y159 HydrophobicContact CD1-CD2 4.08Å; L131-Y159 HydrophobicContact CD1-CE2 3.98Å; L131-Y159 WeakPolarHBondContact CD1-O 3.1Å; L131-Y159 HydrophobicContact CD2-CE2 3.83Å; L131-Y159 HydrophobicContact CG-CE2 4.43Å; L131-Y159 PolarHBondContact N-O 3.14Å; D155-Y159 PolarHBondContact OD2-OH 3Å; Y159-I161 HydrophobicContact CE2-CG1 4.44Å; Y159-E166 HydrophobicContact CD2-CB 3.84Å; Y159-E166 HydrophobicContact CD2-CG 4.05Å; Y159-E166 HydrophobicContact CE2-CB 3.94Å; Y159-E166 HydrophobicContact CE2-CG 3.64Å; Y159-V433 HydrophobicContact CG-CG2 4.23Å; Y159-M445 HydrophobicContact CD1-CE 3.65Å; Y159-M445 HydrophobicContact CE1-CE 3.95Å
160F95.6Very high91.7Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-112.1149.4-179.1-60.8-88.3000110.7F39 P128 M130 I162 E166 R167 I169 I361F39-F160 HydrophobicContact CD2-CE1 4.21Å; F39-F160 AromaticContact CD2-CZ 3.93Å; F39-F160 HydrophobicContact CD2-CZ 3.93Å; F39-F160 AromaticContact CE2-CE1 3.73Å; F39-F160 HydrophobicContact CE2-CE1 3.73Å; F39-F160 AromaticContact CE2-CZ 3.9Å; F39-F160 HydrophobicContact CE2-CZ 3.9Å; F39-F160 HydrophobicContact CZ-CE1 4.16Å; P128-F160 HydrophobicContact CB-CD1 4.09Å; M130-F160 HydrophobicContact CB-CD1 4.31Å; M130-F160 HydrophobicContact CB-CE1 3.76Å; M130-F160 HydrophobicContact CB-CZ 3.9Å; M130-F160 HydrophobicContact CE-CE2 3.67Å; M130-F160 HydrophobicContact CE-CZ 3.66Å; M130-F160 HydrophobicContact CG-CZ 4.42Å; F160-I162 HydrophobicContact CB-CG1 4.36Å; F160-E166 CarbonylContact O-C 3.54Å; F160-E166 WeakPolarHBondContact O-CA 3.41Å; F160-R167 PolarHBondContact N-O 3.37Å; F160-R167 PolarHBondContact O-N 3.35Å; F160-I169 HydrophobicContact CD2-CD1 4.29Å; F160-I169 HydrophobicContact CD2-CG1 4.29Å; F160-I169 HydrophobicContact CE2-CD1 3.6Å; F160-I169 HydrophobicContact CE2-CG1 3.93Å; F160-I169 HydrophobicContact CZ-CD1 4.22Å; F160-I361 HydrophobicContact CE1-CD1 4.23Å; F160-I361 HydrophobicContact CE2-CD1 4.34Å; F160-I361 HydrophobicContact CZ-CD1 3.59Å
161I95.6Very high91.6Very high0 Ų027.2 Ų27.20%015%0.152CC..EExtended strand (participates in β ladder)trans-107.8115.8170.9-63.2163.5000108.8P90 C93 R94 T99 Y100 L131 Y159 M165 E166P90-I161 HydrophobicContact CB-CD1 3.59Å; C93-I161 HydrophobicContact CB-CG2 4Å; R94-I161 HydrophobicContact CG-CD1 3.9Å; R94-I161 HydrophobicContact CG-CG1 4.38Å; R94-I161 HydrophobicContact CG-CG2 4.3Å; T99-I161 WeakPolarHBondContact CA-O 3.4Å; Y100-I161 PolarHBondContact N-O 3.43Å; L131-I161 HydrophobicContact CD1-CD1 3.81Å; L131-I161 HydrophobicContact CD1-CG1 3.85Å; L131-I161 HydrophobicContact CD2-CD1 4.22Å; Y159-I161 HydrophobicContact CE2-CG1 4.44Å; I161-M165 WeakPolarHBondContact CA-O 3.48Å; I161-E166 HydrophobicContact CG1-CG 4.46Å
162I95.1Very high91.5Very high6 Ų626.8 Ų26.83%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-130.7118.9-178.7-56.4-169.3000110.1T99 F160 G164 M165 T409 I412 A413T99-I162 HydrophobicContact CG2-CB 4.48Å; T99-I162 HydrophobicContact CG2-CG1 4.17Å; T99-I162 HydrophobicContact CG2-CG2 4.41Å; F160-I162 HydrophobicContact CB-CG1 4.36Å; I162-G164 PolarHBondContact O-N 3.01Å; I162-M165 PolarHBondContact N-O 3.05Å; I162-M165 PolarHBondContact O-N 3.26Å; I162-T409 HydrophobicContact CG2-CG2 3.55Å; I162-I412 HydrophobicContact CD1-CB 3.31Å; I162-I412 HydrophobicContact CD1-CD1 4.12Å; I162-I412 HydrophobicContact CD1-CG1 4.31Å; I162-I412 HydrophobicContact CD1-CG2 3.23Å; I162-I412 HydrophobicContact CG1-CG2 4.38Å; I162-A413 HydrophobicContact CG2-CB 3.96Å
163G92.8Very high91.4Very high31 Ų3124.1 Ų24.132%0.3213%0.13SC..THydrogen-bonded Turntrans55.737.8-177.200000112.8N97 T99 M165N97-G163 CarbonylContact O-C 3.51Å; N97-G163 WeakPolarHBondContact O-CA 3.37Å; T99-G163 PolarHBondContact OG1-N 3.25Å; G163-M165 VanDerWaalsContact C-N 3.25Å; G163-M165 PolarHBondContact O-N 3.44Å
164G92Very high91.3Very high15 Ų1520.4 Ų20.416%0.15511%0.113CC..THydrogen-bonded Turntrans80.6-13.8-175.800000116.1K98 I162K98-G164 PolarHBondContact O-N 3.42Å; I162-G164 PolarHBondContact O-N 3.01Å
165M93.9Very high91.3Very high89 Ų8918.2 Ų18.244%0.43810%0.1SC..EExtended strand (participates in β ladder)trans-92.6137.8-179.6-67.5179.7-79.400112.4I161 I162 G163 R167I161-M165 WeakPolarHBondContact CA-O 3.48Å; I162-M165 PolarHBondContact N-O 3.05Å; I162-M165 PolarHBondContact O-N 3.26Å; G163-M165 VanDerWaalsContact C-N 3.25Å; G163-M165 PolarHBondContact O-N 3.44Å; M165-R167 HydrophobicContact CB-CG 4.49Å
166E93.6Very high91.4Very high44 Ų4417.2 Ų17.221%0.20610%0.096CC..EExtended strand (participates in β ladder)trans-80.8119.2172.5-60.6-179.7165.100110.4R94 Y159 F160 I161 V432 V433R94-E166 WeakPolarHBondContact CD-OE1 3.49Å; R94-E166 IonicContact CZ-OE1 2.69Å; R94-E166 IonicContact NE-OE1 3.53Å; R94-E166 PolarHBondContact NE-OE1 3.04Å; R94-E166 IonicContact NH2-OE1 3.14Å; Y159-E166 HydrophobicContact CD2-CB 3.84Å; Y159-E166 HydrophobicContact CD2-CG 4.05Å; Y159-E166 HydrophobicContact CE2-CB 3.94Å; Y159-E166 HydrophobicContact CE2-CG 3.64Å; F160-E166 CarbonylContact O-C 3.54Å; F160-E166 WeakPolarHBondContact O-CA 3.41Å; I161-E166 HydrophobicContact CG1-CG 4.46Å; E166-V432 VanDerWaalsContact O-CA 3.31Å; E166-V432 WeakPolarHBondContact O-CA 3.36Å; E166-V433 HydrophobicContact CB-CB 4.4Å; E166-V433 HydrophobicContact CB-CG2 4.47Å; E166-V433 PolarHBondContact O-N 3.14Å; E166-V433 VanDerWaalsContact O-N 3.11Å
167R93.9Very high91.7Very high33 Ų3319.2 Ų19.213%0.12510%0.101CC..EExtended strand (participates in β ladder)trans-128.8133-175-68.2-175.4170.9-111.94.2110.8F160 M165 I412 A413 R431F160-R167 PolarHBondContact N-O 3.37Å; F160-R167 PolarHBondContact O-N 3.35Å; M165-R167 HydrophobicContact CB-CG 4.49Å; R167-I412 HydrophobicContact CB-CG2 4.38Å; R167-I412 WeakPolarHBondContact CD-O 3.35Å; R167-I412 PolarHBondContact NH1-O 3.15Å; R167-A413 PolarHBondContact NH1-O 3.05Å; R167-A413 PolarHBondContact NH2-O 3.28Å; R167-R431 WeakPolarHBondContact CA-O 3.46Å
168M91.9Very high91.9Very high2 Ų219.9 Ų19.91%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-114.5141.3177.5-171.8-153.1169.800110M32 F170 T430 R431 V433 M445M32-M168 HydrophobicContact CE-CE 4.18Å; M168-F170 HydrophobicContact CE-CD1 4.34Å; M168-F170 HydrophobicContact SD-CD1 3.97Å; M168-F170 HydrophobicContact SD-CE1 3.94Å; M168-T430 VanDerWaalsContact O-CA 3.25Å; M168-T430 WeakPolarHBondContact O-CA 3.48Å; M168-R431 PolarHBondContact N-O 3.14Å; M168-R431 PolarHBondContact O-N 3.18Å; M168-R431 VanDerWaalsContact O-N 3.15Å; M168-V433 HydrophobicContact CB-CG2 3.7Å; M168-M445 VanDerWaalsContact CE-CA 3.48Å; M168-M445 HydrophobicContact CE-CB 4.23Å; M168-M445 WeakPolarHBondContact CE-O 3.41Å; M168-M445 VanDerWaalsContact SD-CA 3.51Å; M168-M445 HydrophobicContact SD-CB 4.24Å; M168-M445 HydrophobicContact SD-CG 4.02Å
169I93.1Very high92Very high2 Ų222.2 Ų22.21%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-88.8114.5167.5-59178000106.7F160 A357 L360 I361 W417 V429 T430F160-I169 HydrophobicContact CD2-CD1 4.29Å; F160-I169 HydrophobicContact CD2-CG1 4.29Å; F160-I169 HydrophobicContact CE2-CD1 3.6Å; F160-I169 HydrophobicContact CE2-CG1 3.93Å; F160-I169 HydrophobicContact CZ-CD1 4.22Å; I169-A357 HydrophobicContact CB-CB 4.13Å; I169-A357 HydrophobicContact CD1-CB 4.09Å; I169-A357 HydrophobicContact CG2-CB 4.28Å; I169-L360 HydrophobicContact CG2-CD1 3.43Å; I169-L360 VanDerWaalsContact CG2-CD1 3.43Å; I169-I361 HydrophobicContact CD1-CD1 3.83Å; I169-I361 HydrophobicContact CD1-CG1 3.97Å; I169-W417 HydrophobicContact CD1-CH2 4.2Å; I169-W417 HydrophobicContact CD1-CZ2 3.98Å; I169-W417 HydrophobicContact CG1-CZ2 4.5Å; I169-V429 HydrophobicContact CG2-CG1 3.99Å; I169-T430 HydrophobicContact CG1-CG2 3.76Å
170F89.6Confident92Very high7 Ų722.3 Ų22.33%0.03111%0.113CC..PPolyproline II helixtrans-74.4143176.1-60.4-78.7000110.3M168 Q172 V429 R431 S444 R447 T449M168-F170 HydrophobicContact CE-CD1 4.34Å; M168-F170 HydrophobicContact SD-CD1 3.97Å; M168-F170 HydrophobicContact SD-CE1 3.94Å; F170-Q172 PolarHBondContact O-N 2.91Å; F170-Q172 PolarHBondContact O-NE2 3.46Å; F170-V429 PolarHBondContact N-O 3.36Å; F170-R431 HydrophobicContact CD2-CG 4.4Å; F170-R431 HydrophobicContact CE2-CB 3.5Å; F170-R431 VanDerWaalsContact CE2-CB 3.5Å; F170-R431 VanDerWaalsContact CE2-CD 3.49Å; F170-R431 HydrophobicContact CE2-CG 3.51Å; F170-R431 HydrophobicContact CZ-CB 3.95Å; F170-R431 HydrophobicContact CZ-CG 4.29Å; F170-S444 WeakPolarHBondContact CD1-O 3.38Å; F170-S444 WeakPolarHBondContact CE1-O 3.35Å; F170-R447 HydrophobicContact CD1-CB 4.11Å; F170-R447 WeakPolarHBondContact CD1-O 3.44Å; F170-R447 HydrophobicContact CE1-CB 4.23Å; F170-T449 HydrophobicContact CB-CG2 4.31Å; F170-T449 HydrophobicContact CG-CG2 4.45Å
171P91.2Very high91.9Very high3 Ų322.5 Ų22.52%0.01911%0.114CC..PPolyproline II helixtrans-48.1127.7162-12.815.4000110.7Q35 L354 E355 L356 R447 M448 T449 I489Q35-P171 VanDerWaalsContact NE2-CD 3.32Å; Q35-P171 VanDerWaalsContact NE2-CG 3.31Å; P171-L354 HydrophobicContact CB-CB 4.48Å; P171-E355 WeakPolarHBondContact CA-O 3.2Å; P171-L356 HydrophobicContact CB-CD2 3.99Å; P171-L356 HydrophobicContact CG-CD2 4.26Å; P171-R447 WeakPolarHBondContact CD-O 3.46Å; P171-M448 HydrophobicContact CB-CB 4.08Å; P171-M448 HydrophobicContact CG-CB 4.42Å; P171-M448 WeakPolarHBondContact O-CA 3.4Å; P171-T449 PolarHBondContact O-N 3.13Å; P171-I489 HydrophobicContact CG-CD1 4.34Å
172Q89.7Confident91.9Very high10 Ų1022.6 Ų22.65%0.04712%0.115CC..EExtended strand (participates in β ladder)trans-101123.1177.3-57.9-59.2-55.200109.5F170 E174 L354 E355 L360 V429 T449F170-Q172 PolarHBondContact O-N 2.91Å; F170-Q172 PolarHBondContact O-NE2 3.46Å; Q172-E174 PolarHBondContact O-N 3.22Å; Q172-L354 CarbonylContact O-C 3.57Å; Q172-L354 WeakPolarHBondContact O-CA 3.46Å; Q172-E355 HydrophobicContact CB-CB 4.37Å; Q172-E355 PolarHBondContact N-O 2.93Å; Q172-E355 PolarHBondContact O-N 2.79Å; Q172-L360 HydrophobicContact CG-CD1 4.14Å; Q172-V429 HydrophobicContact CG-CG1 4.31Å; Q172-T449 WeakPolarHBondContact CA-O 3.39Å; Q172-T449 PolarHBondContact NE2-OG1 3.46Å; Q172-T449 PolarHBondContact OE1-OG1 3.41Å
173E88.7Confident91.8Very high14 Ų1423.7 Ų23.77%0.06512%0.12CC..EExtended strand (participates in β ladder)trans-74.5124172.2-171.4178.9121.800109.7Y349 K352 L354 T449 T450E173-Y349 WeakPolarHBondContact OE2-CE2 3.49Å; E173-Y349 PolarHBondContact OE2-OH 3.01Å; E173-K352 HydrophobicContact CG-CB 4.15Å; E173-K352 HydrophobicContact CG-CD 3.99Å; E173-K352 HydrophobicContact CG-CG 4.19Å; E173-K352 WeakPolarHBondContact OE1-CD 3.28Å; E173-K352 WeakPolarHBondContact OE1-CE 3.18Å; E173-K352 IonicContact OE1-NZ 3.4Å; E173-K352 PolarHBondContact OE1-NZ 3.08Å; E173-L354 HydrophobicContact CB-CD2 4.07Å; E173-L354 HydrophobicContact CG-CD2 4.41Å; E173-T449 PolarHBondContact N-O 3.08Å; E173-T450 HydrophobicContact CB-CG2 4.36Å
174E87.5Confident91.7Very high26 Ų2626.1 Ų26.112%0.12112%0.124CC..EExtended strand (participates in β ladder)trans-130.7155.6-178.4-86.9-80.3-157.300110.5Q172 K352 Q353 E355 R426 Q451Q172-E174 PolarHBondContact O-N 3.22Å; E174-K352 CarbonylContact O-C 3.52Å; E174-K352 VanDerWaalsContact O-CA 3.27Å; E174-K352 WeakPolarHBondContact O-CA 3.36Å; E174-Q353 PolarHBondContact N-O 3.02Å; E174-Q353 PolarHBondContact O-N 3.22Å; E174-E355 HydrophobicContact CB-CG 4.38Å; E174-E355 HydrophobicContact CG-CG 4.18Å; E174-R426 IonicContact OE1-CZ 2.77Å; E174-R426 IonicContact OE1-NE 3.63Å; E174-R426 IonicContact OE1-NH2 2.97Å; E174-R426 PolarHBondContact OE1-NH2 3.28Å; E174-Q451 PolarHBondContact OE1-NE2 3.03Å; E174-Q451 PolarHBondContact OE1-OE1 2.86Å
175Q87.7Confident91.4Very high48 Ų4828.3 Ų28.322%0.22413%0.132CC..EExtended strand (participates in β ladder)trans-69.2140.5171.5-169.9176.45.700109.6R177 F181Q175-R177 PolarHBondContact O-N 2.96Å; Q175-F181 HydrophobicContact CG-CD2 4.29Å; Q175-F181 HydrophobicContact CG-CE1 4.31Å; Q175-F181 HydrophobicContact CG-CE2 3.59Å; Q175-F181 HydrophobicContact CG-CZ 3.59Å
176S90Very high90.9Very high7 Ų730.2 Ų30.25%0.04915%0.154CC..PPolyproline II helixtrans-56.1131.8-179.1-63.10000110.7F181 N351 K352S176-F181 WeakPolarHBondContact O-CE2 3.46Å; S176-N351 WeakPolarHBondContact CB-O 2.99Å; S176-N351 PolarHBondContact N-O 2.78Å; S176-N351 PolarHBondContact OG-O 3.31Å; S176-K352 PolarHBondContact OG-N 3.48Å
177R90.4Very high90.5Very high59 Ų5932.8 Ų32.822%0.22318%0.176CC..THydrogen-bonded Turntrans-75.6161.5176.5-59.4165.5178.7-169.51.1109.3Q175 R179 L195 V197 E355Q175-R177 PolarHBondContact O-N 2.96Å; R177-R179 PolarHBondContact O-N 3.03Å; R177-L195 HydrophobicContact CG-CD2 4.46Å; R177-V197 HydrophobicContact CB-CB 4.33Å; R177-V197 HydrophobicContact CB-CG2 4.08Å; R177-V197 HydrophobicContact CG-CB 4.31Å; R177-V197 HydrophobicContact CG-CG2 3.78Å; R177-E355 IonicContact CZ-OE1 2.7Å; R177-E355 IonicContact NE-OE1 2.68Å; R177-E355 IonicContact NH2-OE1 3.18Å; R177-E355 PolarHBondContact NH2-OE1 3.34Å; R177-E355 IonicContact NH2-OE2 3.89Å
178N92.7Very high89.9Confident15 Ų1536.9 Ų36.98%0.0820%0.201CC..THydrogen-bonded Turntrans57.210.7173.1-53.8-33.8000115.5L195 S196 V197 H311 N535 G536 E581N178-L195 PolarHBondContact N-O 3.46Å; N178-S196 WeakPolarHBondContact OD1-CA 3.47Å; N178-V197 PolarHBondContact ND2-O 3.08Å; N178-V197 PolarHBondContact OD1-N 3Å; N178-V197 PolarHBondContact OD1-O 3.12Å; N178-H311 HydrophobicContact CB-CB 4.22Å; N178-H311 WeakPolarHBondContact OD1-CB 3.39Å; N178-N535 VanDerWaalsContact CB-O 3.25Å; N178-N535 WeakPolarHBondContact CB-O 3.45Å; N178-G536 VanDerWaalsContact O-CA 3.31Å; N178-G536 WeakPolarHBondContact O-CA 3.48Å; N178-E581 PolarHBondContact ND2-OE1 3.45Å
179R92.2Very high89.8Confident51 Ų5138.5 Ų38.519%0.19221%0.208CC..  trans-104.1144.5179.4-169.1170.3-179.7164.5-0.9111.2R177 F181 G350 N351 N629R177-R179 PolarHBondContact O-N 3.03Å; R179-F181 HydrophobicContact CB-CE2 3.92Å; R179-F181 HydrophobicContact CB-CZ 4.17Å; R179-F181 HydrophobicContact CG-CE2 4.36Å; R179-F181 HydrophobicContact CG-CZ 4.26Å; R179-F181 WeakPolarHBondContact O-CD2 3.36Å; R179-G350 PolarHBondContact NH1-O 3.08Å; R179-N351 PolarHBondContact NE-OD1 2.9Å; R179-N351 PolarHBondContact NH1-OD1 3.44Å; R179-N351 VanDerWaalsContact NH1-OD1 3.08Å; R179-N351 PolarHBondContact NH2-OD1 2.83Å; R179-N629 PolarHBondContact NH1-ND2 2.85Å; R179-N629 PolarHBondContact NH1-OD1 3.18Å
180M94.2Very high89.8Confident7 Ų738.6 Ų38.63%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-79.3128.9171.9-63.8177.2-16100110.4V194 Y325 L328 M329 R332 L533M180-V194 HydrophobicContact CB-CG2 4.22Å; M180-V194 HydrophobicContact CG-CG2 3.81Å; M180-Y325 HydrophobicContact CE-CD1 4.28Å; M180-Y325 HydrophobicContact CE-CD2 3.33Å; M180-Y325 HydrophobicContact CE-CE1 4.05Å; M180-Y325 HydrophobicContact CE-CE2 3.06Å; M180-Y325 HydrophobicContact CE-CG 3.96Å; M180-Y325 VanDerWaalsContact CE-CZ 3.46Å; M180-Y325 HydrophobicContact CG-CE1 4.48Å; M180-Y325 HydrophobicContact CG-CE2 4.2Å; M180-Y325 VanDerWaalsContact CG-OH 3.3Å; M180-Y325 WeakPolarHBondContact CG-OH 3.29Å; M180-Y325 HydrophobicContact SD-CE2 4.47Å; M180-L328 HydrophobicContact CE-CB 4.07Å; M180-L328 HydrophobicContact CE-CD2 3.75Å; M180-L328 HydrophobicContact CE-CG 3.9Å; M180-L328 HydrophobicContact SD-CG 4.3Å; M180-M329 HydrophobicContact CE-CG 4Å; M180-M329 HydrophobicContact CG-CG 3.96Å; M180-M329 HydrophobicContact SD-CG 3.75Å; M180-R332 PolarHBondContact O-NH1 2.99Å; M180-L533 HydrophobicContact CE-CD2 4.44Å
181F93.5Very high90.1Very high3 Ų338.5 Ų38.51%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-120.5117174-68.8-78.1000110.5Q175 S176 R179 L183 C192 E193 D344 N351Q175-F181 HydrophobicContact CG-CD2 4.29Å; Q175-F181 HydrophobicContact CG-CE1 4.31Å; Q175-F181 HydrophobicContact CG-CE2 3.59Å; Q175-F181 HydrophobicContact CG-CZ 3.59Å; S176-F181 WeakPolarHBondContact O-CE2 3.46Å; R179-F181 HydrophobicContact CB-CE2 3.92Å; R179-F181 HydrophobicContact CB-CZ 4.17Å; R179-F181 HydrophobicContact CG-CE2 4.36Å; R179-F181 HydrophobicContact CG-CZ 4.26Å; R179-F181 WeakPolarHBondContact O-CD2 3.36Å; F181-L183 HydrophobicContact CB-CD1 4.48Å; F181-L183 HydrophobicContact CB-CG 4.31Å; F181-C192 CarbonylContact O-C 3.59Å; F181-C192 WeakPolarHBondContact O-CA 3.16Å; F181-E193 HydrophobicContact CB-CG 3.98Å; F181-E193 PolarHBondContact N-O 2.97Å; F181-E193 PolarHBondContact O-N 3.03Å; F181-D344 WeakPolarHBondContact CA-OD2 3.17Å; F181-D344 HydrophobicContact CD1-CB 4.23Å; F181-N351 HydrophobicContact CE1-CB 3.6Å; F181-N351 HydrophobicContact CZ-CB 4.06Å
182V94.9Very high90.3Very high3 Ų338.4 Ų38.42%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-92.8113.9172.6-171.50000108.9V190 C192 R332 I333 A336 Y343 D344V182-V190 HydrophobicContact CG1-CG1 3.99Å; V182-C192 HydrophobicContact CG2-CB 4.32Å; V182-R332 HydrophobicContact CG2-CB 3.71Å; V182-I333 HydrophobicContact CG1-CG1 4.4Å; V182-A336 HydrophobicContact CG1-CB 3.77Å; V182-Y343 HydrophobicContact CG1-CD1 4.18Å; V182-D344 PolarHBondContact N-OD2 2.8Å; V182-D344 PolarHBondContact O-N 3.15Å
183L93.3Very high90.5Very high28 Ų2838.5 Ų38.515%0.14721%0.208CC..EExtended strand (participates in β ladder)trans-127156.1-174.9-59.6175.3000110.3F181 F191 E193 D344 P346F181-L183 HydrophobicContact CB-CD1 4.48Å; F181-L183 HydrophobicContact CB-CG 4.31Å; L183-F191 HydrophobicContact CB-CE1 4.01Å; L183-F191 HydrophobicContact CB-CE2 3.92Å; L183-F191 HydrophobicContact CB-CZ 3.59Å; L183-F191 HydrophobicContact CD1-CE2 4.06Å; L183-F191 HydrophobicContact CD1-CZ 4.1Å; L183-F191 HydrophobicContact CG-CE2 4.49Å; L183-F191 HydrophobicContact CG-CZ 4.46Å; L183-F191 PolarHBondContact N-O 2.8Å; L183-F191 PolarHBondContact O-N 3.42Å; L183-E193 HydrophobicContact CD1-CG 4.12Å; L183-D344 WeakPolarHBondContact CD2-O 3.25Å; L183-P346 HydrophobicContact CD2-CG 4.4Å
184Q90.7Very high90.7Very high83 Ų8337.8 Ų37.839%0.38821%0.205SC..EExtended strand (participates in β ladder)trans-114.4127172.3-175.1176.75.500109.1D188 V190 Y343Q184-D188 PolarHBondContact NE2-OD1 3.16Å; Q184-V190 HydrophobicContact CG-CG2 4.32Å; Q184-Y343 HydrophobicContact CB-CD1 4.38Å; Q184-Y343 HydrophobicContact CB-CE1 4.24Å
185N86.3Confident90.9Very high60 Ų6037.8 Ų37.832%0.32121%0.206SC..  trans-75.6164.6172.8-81.3-28.9000110.8S187 D188 E189 F191N185-S187 PolarHBondContact O-N 3.14Å; N185-D188 PolarHBondContact O-N 2.75Å; N185-E189 HydrophobicContact CB-CB 4.45Å; N185-E189 PolarHBondContact N-O 2.85Å; N185-E189 PolarHBondContact ND2-OE2 3.3Å; N185-F191 HydrophobicContact CB-CE1 4.15Å; N185-F191 VanDerWaalsContact ND2-CE1 3.34Å; N185-F191 WeakPolarHBondContact ND2-CE1 3.44Å; N185-F191 WeakPolarHBondContact OD1-CE1 3.33Å; N185-F191 WeakPolarHBondContact OD1-CZ 3.48Å
186S83.2Confident91Very high129 Ų12935.5 Ų35.590%0.90220%0.195SC*.THydrogen-bonded Turntrans-58.6-16.1171.458.60000114.6D188S186-D188 VanDerWaalsContact C-N 3.3Å
187S85Confident90.7Very high98 Ų9836.5 Ų36.569%0.68520%0.201SC*.THydrogen-bonded Turntrans-91.413.1175.8-50.40000113.1N185 E189N185-S187 PolarHBondContact O-N 3.14Å; S187-E189 PolarHBondContact O-N 2.81Å; S187-E189 VanDerWaalsContact O-N 3.08Å
188D82.9Confident90.1Very high120 Ų12036 Ų3664%0.64220%0.204SC*.SBendtrans58.514.9-173.6-63.5-36.7000115.4Q184 N185 S186 V190Q184-D188 PolarHBondContact NE2-OD1 3.16Å; N185-D188 PolarHBondContact O-N 2.75Å; S186-D188 VanDerWaalsContact C-N 3.3Å; D188-V190 PolarHBondContact O-N 2.87Å
189E88.7Confident89Confident35 Ų3540.7 Ų40.716%0.16422%0.222CC..  trans-75.4116.2170.9-174.1-175.3-139.100109N185 S187 V208 R217N185-E189 HydrophobicContact CB-CB 4.45Å; N185-E189 PolarHBondContact N-O 2.85Å; N185-E189 PolarHBondContact ND2-OE2 3.3Å; S187-E189 PolarHBondContact O-N 2.81Å; S187-E189 VanDerWaalsContact O-N 3.08Å; E189-V208 VanDerWaalsContact CD-CG1 3.41Å; E189-V208 HydrophobicContact CG-CG1 3.67Å; E189-V208 WeakPolarHBondContact OE1-CG1 3.3Å; E189-R217 IonicContact OE1-NH1 3.08Å; E189-R217 IonicContact OE1-NH2 2.89Å; E189-R217 PolarHBondContact OE1-NH2 2.87Å; E189-R217 IonicContact OE2-NH1 3.9Å
190V93.4Very high87.8Confident4 Ų443.3 Ų43.32%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-87.3133.4174-175.10000109.6V182 Q184 D188 H209 I333 E337 Y343V182-V190 HydrophobicContact CG1-CG1 3.99Å; Q184-V190 HydrophobicContact CG-CG2 4.32Å; D188-V190 PolarHBondContact O-N 2.87Å; V190-H209 PolarHBondContact O-N 2.9Å; V190-I333 HydrophobicContact CB-CG2 4.4Å; V190-I333 HydrophobicContact CG1-CG2 3.83Å; V190-E337 HydrophobicContact CB-CG 4.18Å; V190-E337 HydrophobicContact CG1-CG 4.22Å; V190-E337 HydrophobicContact CG2-CG 3.93Å; V190-Y343 HydrophobicContact CG1-CD1 4.48Å; V190-Y343 HydrophobicContact CG1-CE1 3.78Å; V190-Y343 HydrophobicContact CG2-CE1 3.9Å
191F94.9Very high86.5Confident6 Ų643.4 Ų43.43%0.02625%0.25CC..EExtended strand (participates in β ladder)trans-145.6148.7178.962.4-81.3000111.5L183 N185 E193 K206 V207 V208L183-F191 HydrophobicContact CB-CE1 4.01Å; L183-F191 HydrophobicContact CB-CE2 3.92Å; L183-F191 HydrophobicContact CB-CZ 3.59Å; L183-F191 HydrophobicContact CD1-CE2 4.06Å; L183-F191 HydrophobicContact CD1-CZ 4.1Å; L183-F191 HydrophobicContact CG-CE2 4.49Å; L183-F191 HydrophobicContact CG-CZ 4.46Å; L183-F191 PolarHBondContact N-O 2.8Å; L183-F191 PolarHBondContact O-N 3.42Å; N185-F191 HydrophobicContact CB-CE1 4.15Å; N185-F191 VanDerWaalsContact ND2-CE1 3.34Å; N185-F191 WeakPolarHBondContact ND2-CE1 3.44Å; N185-F191 WeakPolarHBondContact OD1-CE1 3.33Å; N185-F191 WeakPolarHBondContact OD1-CZ 3.48Å; F191-E193 HydrophobicContact CD2-CB 4.18Å; F191-E193 HydrophobicContact CD2-CG 4.44Å; F191-E193 HydrophobicContact CE2-CB 4.23Å; F191-E193 HydrophobicContact CE2-CG 4.07Å; F191-K206 HydrophobicContact CD2-CD 4.16Å; F191-K206 HydrophobicContact CE2-CD 4.44Å; F191-V207 CarbonylContact C-O 3.59Å; F191-V207 WeakPolarHBondContact CA-O 3.31Å; F191-V207 WeakPolarHBondContact CB-O 3.38Å; F191-V208 HydrophobicContact CB-CB 4.4Å; F191-V208 HydrophobicContact CB-CG2 3.93Å
192C95.6Very high85.8Confident0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-100.9123.9167.3-173.30000109.3F181 V182 K206 V207 M329 I333F181-C192 CarbonylContact O-C 3.59Å; F181-C192 WeakPolarHBondContact O-CA 3.16Å; V182-C192 HydrophobicContact CG2-CB 4.32Å; C192-K206 CarbonylContact O-C 3.5Å; C192-K206 WeakPolarHBondContact O-CA 3.33Å; C192-V207 PolarHBondContact N-O 2.95Å; C192-V207 PolarHBondContact O-N 3.27Å; C192-M329 HydrophobicContact CB-CB 4.31Å; C192-M329 HydrophobicContact CB-CE 3.88Å; C192-M329 WeakPolarHBondContact O-CE 3.43Å; C192-I333 HydrophobicContact CB-CD1 3.72Å; C192-I333 HydrophobicContact CB-CG1 3.7Å
193E94.1Very high85.2Confident12 Ų1246.7 Ų46.76%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-113.4145.217565.9172.9-142.100112.6F181 L183 F191 K204 S205 K206F181-E193 HydrophobicContact CB-CG 3.98Å; F181-E193 PolarHBondContact N-O 2.97Å; F181-E193 PolarHBondContact O-N 3.03Å; L183-E193 HydrophobicContact CD1-CG 4.12Å; F191-E193 HydrophobicContact CD2-CB 4.18Å; F191-E193 HydrophobicContact CD2-CG 4.44Å; F191-E193 HydrophobicContact CE2-CB 4.23Å; F191-E193 HydrophobicContact CE2-CG 4.07Å; E193-K204 WeakPolarHBondContact OE1-CE 3.45Å; E193-K204 IonicContact OE1-NZ 3.55Å; E193-K204 PolarHBondContact OE1-NZ 3.19Å; E193-K204 WeakPolarHBondContact OE2-CE 3.23Å; E193-K204 IonicContact OE2-NZ 3.72Å; E193-K204 PolarHBondContact OE2-NZ 2.86Å; E193-S205 WeakPolarHBondContact CA-O 3.42Å; E193-K206 HydrophobicContact CB-CD 4.4Å; E193-K206 HydrophobicContact CB-CG 3.91Å; E193-K206 WeakPolarHBondContact OE2-CE 2.99Å; E193-K206 IonicContact OE2-NZ 2.63Å; E193-K206 PolarHBondContact OE2-NZ 3.46Å
194V93.6Very high85Confident0 Ų048.7 Ų48.70%027%0.271CS..EExtended strand (participates in β ladder)trans-135.4127.8175.5178.60000108.3M180 K204 S205 Y325 M329M180-V194 HydrophobicContact CB-CG2 4.22Å; M180-V194 HydrophobicContact CG-CG2 3.81Å; V194-K204 WeakPolarHBondContact O-CA 3.49Å; V194-S205 PolarHBondContact N-O 3.12Å; V194-S205 PolarHBondContact O-N 3.47Å; V194-Y325 WeakPolarHBondContact CG1-OH 3.32Å; V194-Y325 HydrophobicContact CG2-CE1 4.06Å; V194-Y325 WeakPolarHBondContact CG2-OH 3.33Å; V194-M329 HydrophobicContact CG2-CE 3.75Å; V194-M329 HydrophobicContact CG2-SD 3.99Å
195L91.2Very high85.1Confident26 Ų2644.8 Ų44.814%0.13625%0.253CS..EExtended strand (participates in β ladder)trans-94.395.6168.217963.4000109R177 N178 V197 R202 K204R177-L195 HydrophobicContact CG-CD2 4.46Å; N178-L195 PolarHBondContact N-O 3.46Å; L195-V197 HydrophobicContact CD1-CG2 4.4Å; L195-V197 HydrophobicContact CD2-CG2 4.28Å; L195-V197 HydrophobicContact CG-CG2 3.88Å; L195-R202 HydrophobicContact CD1-CG 4.28Å; L195-K204 HydrophobicContact CD1-CB 4.23Å
196S89.5Confident85.5Confident0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-80.1120.2177.1-55.50000109.7N178 R202 G203 F309 C310 H311N178-S196 WeakPolarHBondContact OD1-CA 3.47Å; S196-R202 WeakPolarHBondContact O-CA 3.15Å; S196-G203 PolarHBondContact N-O 3.3Å; S196-G203 PolarHBondContact O-N 3.14Å; S196-F309 WeakPolarHBondContact OG-CA 3.46Å; S196-C310 WeakPolarHBondContact CB-SG 3.44Å; S196-H311 VanDerWaalsContact CB-ND1 3.32Å; S196-H311 WeakPolarHBondContact CB-ND1 3.43Å; S196-H311 PolarHBondContact OG-CE1 3.26Å; S196-H311 PolarHBondContact OG-ND1 2.92Å
197V83.5Confident86.1Confident27 Ų2738 Ų3816%0.16420%0.204CC..EExtended strand (participates in β ladder)trans-128118.1177.8-172.40000109.3R177 N178 L195 R202R177-V197 HydrophobicContact CB-CB 4.33Å; R177-V197 HydrophobicContact CB-CG2 4.08Å; R177-V197 HydrophobicContact CG-CB 4.31Å; R177-V197 HydrophobicContact CG-CG2 3.78Å; N178-V197 PolarHBondContact ND2-O 3.08Å; N178-V197 PolarHBondContact OD1-N 3Å; N178-V197 PolarHBondContact OD1-O 3.12Å; L195-V197 HydrophobicContact CD1-CG2 4.4Å; L195-V197 HydrophobicContact CD2-CG2 4.28Å; L195-V197 HydrophobicContact CG-CG2 3.88Å; V197-R202 HydrophobicContact CG2-CG 4.21Å
198T79.5Confident86.6Confident49 Ų4933.4 Ų33.430%0.30117%0.172SC..  trans-131.1169.316963.70000109.7C200 G201 C310 H311T198-C200 PolarHBondContact O-N 3.18Å; T198-C200 PolarHBondContact OG1-N 3.46Å; T198-G201 PolarHBondContact N-O 2.61Å; T198-G201 PolarHBondContact O-N 2.94Å; T198-G201 VanDerWaalsContact O-O 3.14Å; T198-G201 PolarHBondContact OG1-N 3.08Å; T198-G201 PolarHBondContact OG1-O 2.97Å; T198-C310 WeakPolarHBondContact CG2-O 3.37Å; T198-H311 HydrophobicContact CG2-CB 4.11Å
199Y68.6Low87.2Confident113 Ų11329.1 Ų29.144%0.44315%0.148SC..SBendtrans-57.8-28.5171.8-66.5-74.4000112.9E46 K49E46-Y199 PolarHBondContact OE1-OH 2.97Å; E46-Y199 WeakPolarHBondContact OE2-CE1 3.35Å; E46-Y199 PolarHBondContact OE2-OH 3.3Å; K49-Y199 HydrophobicContact CD-CE1 4.39Å; K49-Y199 HydrophobicContact CD-CE2 4.4Å; K49-Y199 WeakPolarHBondContact CD-OH 3.19Å; K49-Y199 PolarHBondContact NZ-OH 2.98Å
200C66.3Low87.3Confident106 Ų10632.3 Ų32.372%0.71616%0.161SC*.SBendtrans-85.3-31.5-177.4-66.60000112.9T198T198-C200 PolarHBondContact O-N 3.18Å; T198-C200 PolarHBondContact OG1-N 3.46Å
201G67.8Low87Confident10 Ų1039.1 Ų39.110%0.10320%0.197CC..  trans-162.4151.1-172.600000114.4T198 C310T198-G201 PolarHBondContact N-O 2.61Å; T198-G201 PolarHBondContact O-N 2.94Å; T198-G201 VanDerWaalsContact O-O 3.14Å; T198-G201 PolarHBondContact OG1-N 3.08Å; T198-G201 PolarHBondContact OG1-O 2.97Å; G201-C310 PolarHBondContact O-SG 2.97Å
202R77.9Confident86.6Confident69 Ų6940.3 Ų40.326%0.2621%0.211SC..EExtended strand (participates in β ladder)trans-122.7128.7169.5179.6172.2-175.7-177.62.6108.5L195 S196 V197 Y422L195-R202 HydrophobicContact CD1-CG 4.28Å; S196-R202 WeakPolarHBondContact O-CA 3.15Å; V197-R202 HydrophobicContact CG2-CG 4.21Å; R202-Y422 HydrophobicContact CB-CD1 4.01Å; R202-Y422 HydrophobicContact CB-CE1 4.38Å
203G82.5Confident86.5Confident5 Ų543 Ų435%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-150.2138.2-179.500000111.4S196S196-G203 PolarHBondContact N-O 3.3Å; S196-G203 PolarHBondContact O-N 3.14Å
204K89.4Confident86.6Confident71 Ų7142.4 Ų42.431%0.30922%0.22SC..EExtended strand (participates in β ladder)trans-105.9104.9172.4-170.6168.7-175.2166.90108.2E193 V194 L195 H218E193-K204 WeakPolarHBondContact OE1-CE 3.45Å; E193-K204 IonicContact OE1-NZ 3.55Å; E193-K204 PolarHBondContact OE1-NZ 3.19Å; E193-K204 WeakPolarHBondContact OE2-CE 3.23Å; E193-K204 IonicContact OE2-NZ 3.72Å; E193-K204 PolarHBondContact OE2-NZ 2.86Å; V194-K204 WeakPolarHBondContact O-CA 3.49Å; L195-K204 HydrophobicContact CD1-CB 4.23Å; K204-H218 PolarHBondContact O-CD2 3.02Å
205S93.3Very high86.7Confident0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-98.8139177.7-67.30000109.9E193 V194 H218E193-S205 WeakPolarHBondContact CA-O 3.42Å; V194-S205 PolarHBondContact N-O 3.12Å; V194-S205 PolarHBondContact O-N 3.47Å; S205-H218 PolarHBondContact OG-CD2 3.36Å
206K95.1Very high87Confident47 Ų4743.1 Ų43.120%0.20422%0.222CC..EExtended strand (participates in β ladder)trans-125.3137.3174.7-56.9-168.2171.4-145.70110.4F191 C192 E193 V208 V216 R217F191-K206 HydrophobicContact CD2-CD 4.16Å; F191-K206 HydrophobicContact CE2-CD 4.44Å; C192-K206 CarbonylContact O-C 3.5Å; C192-K206 WeakPolarHBondContact O-CA 3.33Å; E193-K206 HydrophobicContact CB-CD 4.4Å; E193-K206 HydrophobicContact CB-CG 3.91Å; E193-K206 WeakPolarHBondContact OE2-CE 2.99Å; E193-K206 IonicContact OE2-NZ 2.63Å; E193-K206 PolarHBondContact OE2-NZ 3.46Å; K206-V208 HydrophobicContact CB-CG2 4.17Å; K206-V216 CarbonylContact O-C 3.55Å; K206-V216 WeakPolarHBondContact O-CA 3.16Å; K206-R217 HydrophobicContact CB-CB 4.23Å; K206-R217 PolarHBondContact N-O 3.34Å; K206-R217 PolarHBondContact O-N 3.31Å
207V96.2Very high87.2Confident0 Ų046.5 Ų46.50%024%0.235CC..EExtended strand (participates in β ladder)trans-105.9124.3164.2178.70000106.7F191 C192 F214 Y215 V216 M329 V330 I333F191-V207 CarbonylContact C-O 3.59Å; F191-V207 WeakPolarHBondContact CA-O 3.31Å; F191-V207 WeakPolarHBondContact CB-O 3.38Å; C192-V207 PolarHBondContact N-O 2.95Å; C192-V207 PolarHBondContact O-N 3.27Å; V207-F214 HydrophobicContact CG1-CD1 4.09Å; V207-Y215 CarbonylContact C-O 3.59Å; V207-Y215 WeakPolarHBondContact CA-O 3.44Å; V207-V216 HydrophobicContact CG2-CG2 4.4Å; V207-M329 HydrophobicContact CB-CE 4.11Å; V207-M329 HydrophobicContact CG2-CB 4.37Å; V207-M329 HydrophobicContact CG2-CE 3.6Å; V207-M329 HydrophobicContact CG2-SD 4.09Å; V207-V330 HydrophobicContact CG1-CG2 4.04Å; V207-I333 HydrophobicContact CB-CD1 4.1Å; V207-I333 HydrophobicContact CG1-CD1 3.82Å; V207-I333 WeakPolarHBondContact O-CD1 3.33Å
208V95.5Very high87.6Confident1 Ų145.7 Ų45.71%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-121.3132-168.9176.90000108.9E189 F191 K206 F214 Y215 R217E189-V208 VanDerWaalsContact CD-CG1 3.41Å; E189-V208 HydrophobicContact CG-CG1 3.67Å; E189-V208 WeakPolarHBondContact OE1-CG1 3.3Å; F191-V208 HydrophobicContact CB-CB 4.4Å; F191-V208 HydrophobicContact CB-CG2 3.93Å; K206-V208 HydrophobicContact CB-CG2 4.17Å; V208-F214 WeakPolarHBondContact O-CA 3.37Å; V208-Y215 PolarHBondContact N-O 2.98Å; V208-Y215 PolarHBondContact O-N 3.3Å; V208-R217 HydrophobicContact CG2-CB 4.26Å
209H94.5Very high87.9Confident30 Ų3049.3 Ų49.314%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-97119171.3-174-145000109.9V190 G212 K213 F214 I333 E337V190-H209 PolarHBondContact O-N 2.9Å; H209-G212 WeakPolarHBondContact NE2-CA 3.49Å; H209-K213 PolarHBondContact CD2-O 3.41Å; H209-F214 HydrophobicContact CB-CD1 4.07Å; H209-F214 HydrophobicContact CB-CE1 3.67Å; H209-F214 HydrophobicContact CB-CZ 4.17Å; H209-F214 AromaticContact CD2-CE2 3.88Å; H209-F214 AromaticContact CD2-CZ 3.78Å; H209-F214 AromaticContact CG-CE1 3.91Å; H209-F214 AromaticContact CG-CZ 3.89Å; H209-I333 HydrophobicContact CB-CG2 4.13Å; H209-E337 IonicContact CE1-OE1 3.37Å; H209-E337 IonicContact CE1-OE2 3.69Å; H209-E337 PolarHBondContact CE1-OE2 3.49Å; H209-E337 IonicContact CG-OE1 3.78Å; H209-E337 IonicContact CG-OE2 2.8Å; H209-E337 IonicContact ND1-OE1 3.69Å; H209-E337 PolarHBondContact ND1-OE1 3.21Å; H209-E337 IonicContact ND1-OE2 3.22Å; H209-E337 PolarHBondContact ND1-OE2 2.85Å
210K90.5Very high88.7Confident103 Ų10347.8 Ų47.845%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-144.3125.9-178.1-178.1175.1-179.6179.10110.7G212 K213 Y215K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 3.05Å; K210-K213 PolarHBondContact N-O 2.96Å; K210-K213 PolarHBondContact O-N 3.27Å; K210-K213 VanDerWaalsContact O-N 3.11Å; K210-Y215 HydrophobicContact CB-CD2 4.42Å; K210-Y215 HydrophobicContact CB-CE2 4.4Å
211N87.4Confident89.9Confident146 Ų14643.1 Ų43.178%0.78121%0.21SC*.THydrogen-bonded Turntrans53.441.1177-57.6-18000113.8K213N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.41Å
212G87.3Confident90.9Very high31 Ų3146 Ų4632%0.3223%0.229SC..THydrogen-bonded Turntrans71.123.4-17900000114.2H209 K210 P255 G258H209-G212 WeakPolarHBondContact NE2-CA 3.49Å; K210-G212 VanDerWaalsContact C-N 3.31Å; K210-G212 PolarHBondContact O-N 3.05Å; G212-P255 CarbonylContact C-O 3.56Å; G212-P255 VanDerWaalsContact O-O 3.12Å; G212-G258 WeakPolarHBondContact O-CA 3.5Å
213K93.3Very high91.7Very high57 Ų5746.9 Ų46.925%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-139.3146.5-178.2-61.4177.4175.4-178.20111H209 K210 N211 Y215 S259 E262H209-K213 PolarHBondContact CD2-O 3.41Å; K210-K213 PolarHBondContact N-O 2.96Å; K210-K213 PolarHBondContact O-N 3.27Å; K210-K213 VanDerWaalsContact O-N 3.11Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 3.41Å; K213-Y215 HydrophobicContact CB-CD2 4.48Å; K213-Y215 HydrophobicContact CB-CE2 3.66Å; K213-Y215 HydrophobicContact CD-CE2 4.48Å; K213-Y215 WeakPolarHBondContact CD-OH 3.38Å; K213-S259 WeakPolarHBondContact CA-OG 3.37Å; K213-E262 HydrophobicContact CD-CB 4.42Å; K213-E262 IonicContact NZ-OE1 2.67Å; K213-E262 PolarHBondContact NZ-OE1 2.9Å
214F96Very high92.2Very high0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-103.7133.7177.6-71.9-86000111.8V207 V208 H209 L227 P255 S259 V330 I333 I334V207-F214 HydrophobicContact CG1-CD1 4.09Å; V208-F214 WeakPolarHBondContact O-CA 3.37Å; H209-F214 HydrophobicContact CB-CD1 4.07Å; H209-F214 HydrophobicContact CB-CE1 3.67Å; H209-F214 HydrophobicContact CB-CZ 4.17Å; H209-F214 AromaticContact CD2-CE2 3.88Å; H209-F214 AromaticContact CD2-CZ 3.78Å; H209-F214 AromaticContact CG-CE1 3.91Å; H209-F214 AromaticContact CG-CZ 3.89Å; F214-L227 HydrophobicContact CB-CB 3.75Å; F214-L227 HydrophobicContact CB-CD2 3.5Å; F214-L227 VanDerWaalsContact CB-CD2 3.5Å; F214-L227 HydrophobicContact CB-CG 4.25Å; F214-L227 HydrophobicContact CG-CD2 4.09Å; F214-L227 VanDerWaalsContact O-CB 3.27Å; F214-L227 WeakPolarHBondContact O-CB 3.41Å; F214-L227 PolarHBondContact O-N 2.85Å; F214-P255 HydrophobicContact CE2-CB 4.1Å; F214-P255 HydrophobicContact CZ-CB 4.32Å; F214-S259 PolarHBondContact N-OG 2.8Å; F214-V330 HydrophobicContact CD1-CG1 4.3Å; F214-V330 HydrophobicContact CD1-CG2 4.49Å; F214-V330 HydrophobicContact CD2-CG1 4.4Å; F214-V330 HydrophobicContact CE1-CG1 4.02Å; F214-V330 HydrophobicContact CE2-CG1 4.15Å; F214-V330 HydrophobicContact CG-CG1 4.48Å; F214-V330 HydrophobicContact CZ-CG1 3.95Å; F214-I333 HydrophobicContact CD1-CD1 4.44Å; F214-I333 HydrophobicContact CE1-CB 4.25Å; F214-I333 HydrophobicContact CE1-CD1 4.1Å; F214-I333 HydrophobicContact CE1-CG2 3.89Å; F214-I333 HydrophobicContact CZ-CG2 4.42Å; F214-I334 HydrophobicContact CZ-CD1 4.25Å; F214-I334 HydrophobicContact CZ-CG1 3.97Å
215Y96.3Very high92.5Very high37 Ų3745.6 Ų45.615%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-128.3148.9177.5-57.9-88.2000111.9V207 V208 K210 K213 D224 I225 P226 E262V207-Y215 CarbonylContact C-O 3.59Å; V207-Y215 WeakPolarHBondContact CA-O 3.44Å; V208-Y215 PolarHBondContact N-O 2.98Å; V208-Y215 PolarHBondContact O-N 3.3Å; K210-Y215 HydrophobicContact CB-CD2 4.42Å; K210-Y215 HydrophobicContact CB-CE2 4.4Å; K213-Y215 HydrophobicContact CB-CD2 4.48Å; K213-Y215 HydrophobicContact CB-CE2 3.66Å; K213-Y215 HydrophobicContact CD-CE2 4.48Å; K213-Y215 WeakPolarHBondContact CD-OH 3.38Å; Y215-D224 HydrophobicContact CD1-CB 4.39Å; Y215-D224 HydrophobicContact CG-CB 4.33Å; Y215-I225 CarbonylContact C-O 3.44Å; Y215-I225 WeakPolarHBondContact CA-O 3.14Å; Y215-P226 HydrophobicContact CD1-CB 4.45Å; Y215-P226 HydrophobicContact CD1-CG 4.22Å; Y215-P226 HydrophobicContact CE1-CB 4.45Å; Y215-P226 HydrophobicContact CE1-CG 4.03Å; Y215-E262 VanDerWaalsContact CE1-OE2 3.23Å; Y215-E262 WeakPolarHBondContact CE1-OE2 3.19Å; Y215-E262 PolarHBondContact OH-OE1 2.98Å; Y215-E262 PolarHBondContact OH-OE2 2.87Å
216V95.7Very high92.7Very high4 Ų445.9 Ų45.92%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-99.2118.9170.4-179.30000109.2K206 V207 I225 L227 V230K206-V216 CarbonylContact O-C 3.55Å; K206-V216 WeakPolarHBondContact O-CA 3.16Å; V207-V216 HydrophobicContact CG2-CG2 4.4Å; V216-I225 PolarHBondContact N-O 3.39Å; V216-I225 PolarHBondContact O-N 3.29Å; V216-L227 HydrophobicContact CG2-CD1 3.83Å; V216-V230 HydrophobicContact CB-CG2 4.11Å; V216-V230 HydrophobicContact CG2-CB 4.35Å; V216-V230 HydrophobicContact CG2-CG1 4.48Å; V216-V230 HydrophobicContact CG2-CG2 3.82Å
217R94.4Very high92.7Very high70 Ų7043.6 Ų43.626%0.26422%0.223SC..EExtended strand (participates in β ladder)trans-109.5130.8178.2179.3178-60.7153.77.4109.8E189 K206 V208 D224E189-R217 IonicContact OE1-NH1 3.08Å; E189-R217 IonicContact OE1-NH2 2.89Å; E189-R217 PolarHBondContact OE1-NH2 2.87Å; E189-R217 IonicContact OE2-NH1 3.9Å; K206-R217 HydrophobicContact CB-CB 4.23Å; K206-R217 PolarHBondContact N-O 3.34Å; K206-R217 PolarHBondContact O-N 3.31Å; V208-R217 HydrophobicContact CG2-CB 4.26Å; R217-D224 VanDerWaalsContact CB-OD1 3.25Å; R217-D224 WeakPolarHBondContact CB-OD1 3.38Å; R217-D224 WeakPolarHBondContact CG-OD1 3.34Å; R217-D224 IonicContact CZ-OD2 3.05Å; R217-D224 VanDerWaalsContact CZ-OD2 3.26Å; R217-D224 IonicContact NE-OD1 3.81Å; R217-D224 PolarHBondContact NE-OD1 3.06Å; R217-D224 IonicContact NE-OD2 3.38Å; R217-D224 PolarHBondContact NE-OD2 3.49Å; R217-D224 IonicContact NH2-OD2 2.61Å; R217-D224 PolarHBondContact NH2-OD2 3.14Å
218H91.7Very high92.6Very high11 Ų1143.6 Ų43.65%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-150.2144.2176.8-173.2-83.9000110.7K204 S205 K220 L221 F303 V307K204-H218 PolarHBondContact O-CD2 3.02Å; S205-H218 PolarHBondContact OG-CD2 3.36Å; H218-K220 PolarHBondContact ND1-N 2.98Å; H218-K220 VanDerWaalsContact ND1-N 3.16Å; H218-K220 PolarHBondContact O-N 2.89Å; H218-K220 VanDerWaalsContact O-N 3.09Å; H218-L221 HydrophobicContact CB-CD1 3.96Å; H218-L221 HydrophobicContact CB-CG 4.12Å; H218-L221 WeakPolarHBondContact O-CB 3.49Å; H218-L221 PolarHBondContact O-N 3.07Å; H218-F303 HydrophobicContact CB-CE2 4.32Å; H218-F303 HydrophobicContact CB-CZ 3.99Å; H218-F303 AromaticContact CG-CE2 3.9Å; H218-F303 AromaticContact CG-CZ 3.99Å; H218-F303 AromaticContact ND1-CE2 3.56Å; H218-V307 WeakPolarHBondContact CE1-CG1 3.47Å
219N85.6Confident92.7Very high124 Ų12443.6 Ų43.666%0.66322%0.223SC*.THydrogen-bonded Turntrans-58-31-173.6-70.1-6.6000114.3L221 K283N219-L221 VanDerWaalsContact C-N 3.3Å; N219-K283 PolarHBondContact O-NZ 3.33Å; N219-K283 VanDerWaalsContact O-NZ 3.14Å
220K86.4Confident92.7Very high82 Ų8242.4 Ų42.436%0.35722%0.218SC..THydrogen-bonded Turntrans-79.2-4.5176.6-62-164.1-166.3173.30114.6H218 K283 F303 V307H218-K220 PolarHBondContact ND1-N 2.98Å; H218-K220 VanDerWaalsContact ND1-N 3.16Å; H218-K220 PolarHBondContact O-N 2.89Å; H218-K220 VanDerWaalsContact O-N 3.09Å; K220-K283 PolarHBondContact O-N 3.19Å; K220-F303 HydrophobicContact CB-CE2 4.31Å; K220-V307 HydrophobicContact CD-CG1 3.81Å; K220-V307 HydrophobicContact CD-CG2 4.26Å; K220-V307 HydrophobicContact CG-CG1 4.44Å
221L90.2Very high93Very high7 Ų737.5 Ų37.54%0.03720%0.196CC..BIsolated β-bridgetrans-96.1144.2173.8-59.2175.1000109.6H218 N219 E223 I225 R281 K283 F303H218-L221 HydrophobicContact CB-CD1 3.96Å; H218-L221 HydrophobicContact CB-CG 4.12Å; H218-L221 WeakPolarHBondContact O-CB 3.49Å; H218-L221 PolarHBondContact O-N 3.07Å; N219-L221 VanDerWaalsContact C-N 3.3Å; L221-E223 WeakPolarHBondContact CB-O 3.38Å; L221-I225 HydrophobicContact CD1-CD1 3.69Å; L221-I225 HydrophobicContact CD1-CG1 4Å; L221-I225 HydrophobicContact CD2-CD1 3.82Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; L221-R281 CarbonylContact C-O 3.49Å; L221-R281 WeakPolarHBondContact CA-O 3.33Å; L221-K283 WeakPolarHBondContact O-CE 3.42Å; L221-K283 PolarHBondContact O-NZ 2.98Å; L221-F303 HydrophobicContact CD1-CE1 4.08Å; L221-F303 HydrophobicContact CD1-CZ 3.77Å; L221-F303 HydrophobicContact CD2-CD1 4.34Å; L221-F303 HydrophobicContact CD2-CE1 3.9Å; L221-F303 HydrophobicContact CD2-CE2 4.14Å; L221-F303 HydrophobicContact CD2-CZ 3.79Å; L221-F303 HydrophobicContact CG-CE1 4.25Å; L221-F303 HydrophobicContact CG-CE2 4.21Å; L221-F303 HydrophobicContact CG-CZ 3.76Å
222S90.5Very high93.3Very high71 Ų7131.6 Ų31.650%0.49716%0.163SC..SBendtrans-73.1-35174.957.70000112.4R281S222-R281 PolarHBondContact N-O 3.38Å; S222-R281 WeakPolarHBondContact OG-CA 3.49Å; S222-R281 PolarHBondContact OG-O 3.46Å
223E93Very high93.7Very high87 Ų8730.1 Ų30.141%0.40715%0.148SC..SBendtrans-141.2163.9179.463.7-173.6-136.100110.9L221 R281L221-E223 WeakPolarHBondContact CB-O 3.38Å; E223-R281 VanDerWaalsContact CD-NE 3.26Å; E223-R281 HydrophobicContact CG-CG 3.99Å; E223-R281 IonicContact OE1-CZ 2.75Å; E223-R281 IonicContact OE1-NE 3.69Å; E223-R281 PolarHBondContact OE1-NE 2.93Å; E223-R281 IonicContact OE1-NH2 2.93Å; E223-R281 PolarHBondContact OE1-NH2 3.4Å
224D94.6Very high93.7Very high49 Ų4927.8 Ų27.826%0.26214%0.138SC..PPolyproline II helixtrans-69.5133.2176.3-66.2-11.8000109.8Y215 R217Y215-D224 HydrophobicContact CD1-CB 4.39Å; Y215-D224 HydrophobicContact CG-CB 4.33Å; R217-D224 VanDerWaalsContact CB-OD1 3.25Å; R217-D224 WeakPolarHBondContact CB-OD1 3.38Å; R217-D224 WeakPolarHBondContact CG-OD1 3.34Å; R217-D224 IonicContact CZ-OD2 3.05Å; R217-D224 VanDerWaalsContact CZ-OD2 3.26Å; R217-D224 IonicContact NE-OD1 3.81Å; R217-D224 PolarHBondContact NE-OD1 3.06Å; R217-D224 IonicContact NE-OD2 3.38Å; R217-D224 PolarHBondContact NE-OD2 3.49Å; R217-D224 IonicContact NH2-OD2 2.61Å; R217-D224 PolarHBondContact NH2-OD2 3.14Å
225I95.6Very high93.6Very high1 Ų129.7 Ų29.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-102128.8-175.1-60.9-176000109.7Y215 V216 L221 L227 I229 V230 Y277 I278Y215-I225 CarbonylContact C-O 3.44Å; Y215-I225 WeakPolarHBondContact CA-O 3.14Å; V216-I225 PolarHBondContact N-O 3.39Å; V216-I225 PolarHBondContact O-N 3.29Å; L221-I225 HydrophobicContact CD1-CD1 3.69Å; L221-I225 HydrophobicContact CD1-CG1 4Å; L221-I225 HydrophobicContact CD2-CD1 3.82Å; L221-I225 HydrophobicContact CG-CD1 4.29Å; I225-L227 PolarHBondContact O-N 2.97Å; I225-I229 HydrophobicContact CG2-CB 4.3Å; I225-I229 HydrophobicContact CG2-CG2 4.34Å; I225-V230 HydrophobicContact CB-CG2 4.32Å; I225-V230 HydrophobicContact CG2-CG2 3.76Å; I225-Y277 HydrophobicContact CG2-CD1 4.48Å; I225-Y277 HydrophobicContact CG2-CE1 4.31Å; I225-I278 HydrophobicContact CD1-CB 4.17Å; I225-I278 HydrophobicContact CD1-CG1 3.91Å; I225-I278 HydrophobicContact CD1-CG2 3.94Å; I225-I278 HydrophobicContact CG2-CG1 4.28Å
226P96.4Very high93.4Very high5 Ų528.2 Ų28.23%0.03215%0.152CC..EExtended strand (participates in β ladder)trans-54132.3175.4-25.531.3000112.3Y215 C228 I229 V230 E262 L266Y215-P226 HydrophobicContact CD1-CB 4.45Å; Y215-P226 HydrophobicContact CD1-CG 4.22Å; Y215-P226 HydrophobicContact CE1-CB 4.45Å; Y215-P226 HydrophobicContact CE1-CG 4.03Å; P226-C228 VanDerWaalsContact C-N 3.33Å; P226-C228 PolarHBondContact O-N 3.34Å; P226-I229 HydrophobicContact CB-CD1 3.85Å; P226-I229 HydrophobicContact CB-CG1 4.26Å; P226-I229 HydrophobicContact CG-CD1 3.75Å; P226-I229 WeakPolarHBondContact O-CB 3.45Å; P226-I229 PolarHBondContact O-N 3.32Å; P226-V230 PolarHBondContact O-N 2.8Å; P226-E262 HydrophobicContact CG-CG 4.38Å; P226-E262 WeakPolarHBondContact CG-OE2 3.3Å; P226-L266 HydrophobicContact CG-CD1 4.1Å
227L95.4Very high93.3Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-57.5-41.7-172.1178.968.2000113.2F214 V216 I225 I229 V230 F231 M246 V326 V330F214-L227 HydrophobicContact CB-CB 3.75Å; F214-L227 HydrophobicContact CB-CD2 3.5Å; F214-L227 VanDerWaalsContact CB-CD2 3.5Å; F214-L227 HydrophobicContact CB-CG 4.25Å; F214-L227 HydrophobicContact CG-CD2 4.09Å; F214-L227 VanDerWaalsContact O-CB 3.27Å; F214-L227 WeakPolarHBondContact O-CB 3.41Å; F214-L227 PolarHBondContact O-N 2.85Å; V216-L227 HydrophobicContact CG2-CD1 3.83Å; I225-L227 PolarHBondContact O-N 2.97Å; L227-I229 PolarHBondContact O-N 3.33Å; L227-V230 WeakPolarHBondContact O-CA 3.48Å; L227-V230 WeakPolarHBondContact O-CB 3.44Å; L227-V230 PolarHBondContact O-N 2.98Å; L227-F231 HydrophobicContact CD1-CD2 4.24Å; L227-F231 HydrophobicContact CD1-CE2 3.84Å; L227-F231 HydrophobicContact CD2-CE2 3.89Å; L227-F231 HydrophobicContact CG-CD2 3.9Å; L227-F231 HydrophobicContact CG-CE2 3.61Å; L227-F231 WeakPolarHBondContact O-CD2 3.28Å; L227-F231 PolarHBondContact O-N 3.2Å; L227-F231 VanDerWaalsContact O-N 3.09Å; L227-M246 HydrophobicContact CD2-SD 3.92Å; L227-V326 HydrophobicContact CD1-CG1 3.51Å; L227-V330 HydrophobicContact CD1-CG2 4.47Å; L227-V330 HydrophobicContact CD2-CG2 3.42Å; L227-V330 VanDerWaalsContact CD2-CG2 3.42Å
228C95.3Very high93.2Very high0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-58.9-31.6178-650000113.1P226 R232 S259 C263P226-C228 VanDerWaalsContact C-N 3.33Å; P226-C228 PolarHBondContact O-N 3.34Å; C228-R232 WeakPolarHBondContact O-CG 3.24Å; C228-R232 PolarHBondContact O-N 2.91Å; C228-R232 VanDerWaalsContact O-N 3.14Å; C228-S259 PolarHBondContact SG-O 2.93Å; C228-C263 HydrophobicContact CB-CB 3.72Å
229I95.8Very high93.3Very high0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-71.4-36.9176.5-62.7167.6000110I225 P226 L227 R232 A233 L266 I268 A274 Y277 I278I225-I229 HydrophobicContact CG2-CB 4.3Å; I225-I229 HydrophobicContact CG2-CG2 4.34Å; P226-I229 HydrophobicContact CB-CD1 3.85Å; P226-I229 HydrophobicContact CB-CG1 4.26Å; P226-I229 HydrophobicContact CG-CD1 3.75Å; P226-I229 WeakPolarHBondContact O-CB 3.45Å; P226-I229 PolarHBondContact O-N 3.32Å; L227-I229 PolarHBondContact O-N 3.33Å; I229-R232 PolarHBondContact O-N 3.46Å; I229-A233 WeakPolarHBondContact O-CB 3.23Å; I229-A233 PolarHBondContact O-N 3.28Å; I229-L266 HydrophobicContact CD1-CD1 3.69Å; I229-I268 HydrophobicContact CD1-CD1 3.62Å; I229-I268 HydrophobicContact CG1-CD1 4.01Å; I229-I268 HydrophobicContact CG2-CD1 4.3Å; I229-A274 HydrophobicContact CG2-CB 3.92Å; I229-Y277 HydrophobicContact CD1-CD1 4.05Å; I229-Y277 HydrophobicContact CD1-CE1 3.77Å; I229-Y277 HydrophobicContact CG2-CD1 3.95Å; I229-Y277 HydrophobicContact CG2-CG 4.43Å; I229-I278 HydrophobicContact CG2-CG1 4.43Å
230V95.5Very high93.6Very high5 Ų534.5 Ų34.53%0.0319%0.188CC..Hα-helixtrans-64.8-44176.8-1790000110.8V216 I225 P226 L227 R232 A233 M234 L304V216-V230 HydrophobicContact CB-CG2 4.11Å; V216-V230 HydrophobicContact CG2-CB 4.35Å; V216-V230 HydrophobicContact CG2-CG1 4.48Å; V216-V230 HydrophobicContact CG2-CG2 3.82Å; I225-V230 HydrophobicContact CB-CG2 4.32Å; I225-V230 HydrophobicContact CG2-CG2 3.76Å; P226-V230 PolarHBondContact O-N 2.8Å; L227-V230 WeakPolarHBondContact O-CA 3.48Å; L227-V230 WeakPolarHBondContact O-CB 3.44Å; L227-V230 PolarHBondContact O-N 2.98Å; V230-R232 PolarHBondContact O-N 3.28Å; V230-A233 WeakPolarHBondContact O-CB 3.17Å; V230-A233 PolarHBondContact O-N 3.28Å; V230-M234 HydrophobicContact CG1-CE 3.77Å; V230-M234 HydrophobicContact CG1-SD 4.4Å; V230-M234 WeakPolarHBondContact O-CG 3.45Å; V230-M234 PolarHBondContact O-N 2.74Å; V230-L304 HydrophobicContact CG1-CD2 4.3Å
231F95.7Very high93.9Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-59-46.2173.6-81.1-68.9000112.9L227 A233 M234 G235 I236 I242 L245 M246 A323 V326L227-F231 HydrophobicContact CD1-CD2 4.24Å; L227-F231 HydrophobicContact CD1-CE2 3.84Å; L227-F231 HydrophobicContact CD2-CE2 3.89Å; L227-F231 HydrophobicContact CG-CD2 3.9Å; L227-F231 HydrophobicContact CG-CE2 3.61Å; L227-F231 WeakPolarHBondContact O-CD2 3.28Å; L227-F231 PolarHBondContact O-N 3.2Å; L227-F231 VanDerWaalsContact O-N 3.09Å; F231-A233 VanDerWaalsContact C-N 3.29Å; F231-A233 PolarHBondContact O-N 3.47Å; F231-M234 PolarHBondContact O-N 3.03Å; F231-M234 VanDerWaalsContact O-N 3.14Å; F231-G235 PolarHBondContact O-N 2.82Å; F231-I236 CarbonylContact C-O 3.53Å; F231-I236 PolarHBondContact O-N 3.05Å; F231-I242 HydrophobicContact CB-CD1 3.7Å; F231-I242 HydrophobicContact CB-CG1 3.87Å; F231-I242 HydrophobicContact CB-CG2 4.36Å; F231-I242 HydrophobicContact CD2-CG2 3.6Å; F231-I242 HydrophobicContact CE2-CG2 3.94Å; F231-I242 HydrophobicContact CG-CD1 4.41Å; F231-I242 HydrophobicContact CG-CG1 4.19Å; F231-I242 HydrophobicContact CG-CG2 3.96Å; F231-L245 HydrophobicContact CD1-CD1 4.42Å; F231-L245 HydrophobicContact CE1-CD1 3.97Å; F231-M246 HydrophobicContact CE2-CG 4.4Å; F231-M246 HydrophobicContact CE2-SD 4.17Å; F231-M246 HydrophobicContact CZ-CG 4.48Å; F231-A323 HydrophobicContact CD1-CB 3.95Å; F231-A323 HydrophobicContact CE1-CB 4.03Å; F231-A323 VanDerWaalsContact CE1-O 3.31Å; F231-A323 WeakPolarHBondContact CE1-O 3.4Å; F231-V326 HydrophobicContact CE1-CG1 4.45Å; F231-V326 HydrophobicContact CE2-CG1 4.25Å; F231-V326 HydrophobicContact CZ-CB 4.35Å; F231-V326 HydrophobicContact CZ-CG1 3.9Å
232R95.1Very high94Very high23 Ų2332.6 Ų32.69%0.08718%0.181CC..Hα-helixtrans-60.2-39.7175.3-71.5170.7-173.9-101.94.7111.8C228 I229 V230 M234 G235 I236 N239 C263 I268 K269 Q271 A274C228-R232 WeakPolarHBondContact O-CG 3.24Å; C228-R232 PolarHBondContact O-N 2.91Å; C228-R232 VanDerWaalsContact O-N 3.14Å; I229-R232 PolarHBondContact O-N 3.46Å; V230-R232 PolarHBondContact O-N 3.28Å; R232-M234 VanDerWaalsContact C-N 3.33Å; R232-M234 PolarHBondContact O-N 2.72Å; R232-G235 PolarHBondContact O-N 3.33Å; R232-G235 VanDerWaalsContact O-N 3.14Å; R232-I236 WeakPolarHBondContact CA-O 3.16Å; R232-I236 PolarHBondContact N-O 3.45Å; R232-N239 PolarHBondContact NH2-OD1 3.08Å; R232-C263 PolarHBondContact NE-SG 2.95Å; R232-I268 WeakPolarHBondContact CD-O 3.37Å; R232-I268 PolarHBondContact NE-O 3.34Å; R232-I268 PolarHBondContact NH1-O 2.92Å; R232-K269 VanDerWaalsContact NH1-CA 3.26Å; R232-K269 PolarHBondContact NH1-O 2.79Å; R232-Q271 WeakPolarHBondContact O-CA 3.18Å; R232-Q271 WeakPolarHBondContact O-CB 3.4Å; R232-Q271 WeakPolarHBondContact O-CG 3.34Å; R232-A274 HydrophobicContact CB-CB 3.88Å
233A94.4Very high94.2Very high0 Ų030.3 Ų30.30%017%0.166CC..Hα-helixtrans-66-33.8176.800000112.8I229 V230 F231 G235 Q271 A274 L275 I278 L304I229-A233 WeakPolarHBondContact O-CB 3.23Å; I229-A233 PolarHBondContact O-N 3.28Å; V230-A233 WeakPolarHBondContact O-CB 3.17Å; V230-A233 PolarHBondContact O-N 3.28Å; F231-A233 VanDerWaalsContact C-N 3.29Å; F231-A233 PolarHBondContact O-N 3.47Å; A233-G235 PolarHBondContact O-N 2.76Å; A233-Q271 PolarHBondContact O-NE2 3.32Å; A233-Q271 VanDerWaalsContact O-NE2 3.07Å; A233-A274 HydrophobicContact CB-CB 3.96Å; A233-L275 HydrophobicContact CB-CD2 3.95Å; A233-L275 HydrophobicContact CB-CG 4.28Å; A233-I278 HydrophobicContact CB-CD1 3.42Å; A233-I278 VanDerWaalsContact CB-CD1 3.42Å; A233-L304 HydrophobicContact CB-CD1 3.79Å
234M94.3Very high94.1Very high8 Ų828.8 Ų28.84%0.03916%0.157CC..THydrogen-bonded Turntrans-72.7-7.7173.5-68.9176.6176.600113.7V230 F231 R232 L304 F309 M319 K322 A323 V326V230-M234 HydrophobicContact CG1-CE 3.77Å; V230-M234 HydrophobicContact CG1-SD 4.4Å; V230-M234 WeakPolarHBondContact O-CG 3.45Å; V230-M234 PolarHBondContact O-N 2.74Å; F231-M234 PolarHBondContact O-N 3.03Å; F231-M234 VanDerWaalsContact O-N 3.14Å; R232-M234 VanDerWaalsContact C-N 3.33Å; R232-M234 PolarHBondContact O-N 2.72Å; M234-L304 HydrophobicContact CE-CD2 4.22Å; M234-F309 HydrophobicContact CE-CD2 4.42Å; M234-M319 HydrophobicContact CB-CB 3.89Å; M234-M319 HydrophobicContact CG-CB 4.08Å; M234-M319 HydrophobicContact CG-SD 4.29Å; M234-K322 HydrophobicContact CE-CB 4.13Å; M234-K322 HydrophobicContact SD-CB 4.2Å; M234-A323 HydrophobicContact CB-CB 4.37Å; M234-A323 HydrophobicContact SD-CB 3.91Å; M234-V326 HydrophobicContact CE-CG2 4.14Å
235G92.7Very high93.9Very high39 Ų3926.6 Ų26.640%0.40215%0.145SC..THydrogen-bonded Turntrans107.1-1.9177.100000114.8F231 R232 A233 E237F231-G235 PolarHBondContact O-N 2.82Å; R232-G235 PolarHBondContact O-N 3.33Å; R232-G235 VanDerWaalsContact O-N 3.14Å; A233-G235 PolarHBondContact O-N 2.76Å; G235-E237 PolarHBondContact O-N 2.98Å
236I93.5Very high93.7Very high6 Ų626.6 Ų26.63%0.03115%0.145CC..  trans-92.390.7177.1-53.5-170.9000109.1F231 R232 E241 I242 L245 A323F231-I236 CarbonylContact C-O 3.53Å; F231-I236 PolarHBondContact O-N 3.05Å; R232-I236 WeakPolarHBondContact CA-O 3.16Å; R232-I236 PolarHBondContact N-O 3.45Å; I236-E241 HydrophobicContact CG2-CB 3.81Å; I236-E241 HydrophobicContact CG2-CG 3.78Å; I236-I242 HydrophobicContact CB-CG1 4.44Å; I236-I242 HydrophobicContact CG2-CG1 3.69Å; I236-L245 HydrophobicContact CD1-CD1 3.4Å; I236-L245 VanDerWaalsContact CD1-CD1 3.4Å; I236-A323 HydrophobicContact CD1-CB 3.42Å; I236-A323 VanDerWaalsContact CD1-CB 3.42Å; I236-A323 HydrophobicContact CG1-CB 4.21Å
237E92.6Very high93.3Very high92 Ų9226.5 Ų26.543%0.4315%0.145SC..  trans-84.9-25.4-178.2-61.9-170.8162.300113.5G235 N239 S270 Q271G235-E237 PolarHBondContact O-N 2.98Å; E237-N239 PolarHBondContact O-N 2.78Å; E237-S270 WeakPolarHBondContact OE1-CA 2.87Å; E237-Q271 WeakPolarHBondContact OE1-CB 3.49Å; E237-Q271 PolarHBondContact OE1-N 2.82Å
238C93.3Very high92.9Very high63 Ų6329.4 Ų29.443%0.42616%0.163SC..  trans-76.9116.1-176.4-173.10000110.9Q240 E241 I242C238-Q240 PolarHBondContact O-N 3.38Å; C238-E241 HydrophobicContact CB-CB 4.05Å; C238-E241 WeakPolarHBondContact O-CB 3.35Å; C238-E241 PolarHBondContact O-N 2.71Å; C238-I242 WeakPolarHBondContact O-CG1 3.39Å; C238-I242 PolarHBondContact O-N 2.72Å; C238-I242 VanDerWaalsContact O-N 3.11Å
239N93Very high92.4Very high68 Ų6834.8 Ų34.836%0.36419%0.188SC..Hα-helixtrans-56.8-34.4177.5-75-7.7000112.7R232 E237 E241 I242 A243 F260R232-N239 PolarHBondContact NH2-OD1 3.08Å; E237-N239 PolarHBondContact O-N 2.78Å; N239-E241 VanDerWaalsContact C-N 3.33Å; N239-I242 PolarHBondContact O-N 2.9Å; N239-A243 WeakPolarHBondContact O-CB 3.21Å; N239-A243 PolarHBondContact O-N 3.4Å; N239-F260 HydrophobicContact CB-CD1 4.07Å; N239-F260 HydrophobicContact CB-CE1 3.7Å; N239-F260 HydrophobicContact CB-CZ 4.5Å
240Q91.9Very high91.8Very high118 Ų11842.9 Ų42.955%0.55123%0.226SC*.Hα-helixtrans-64.5-40.2178.1-165.8-175.20.900111.2C238 A243 Y244C238-Q240 PolarHBondContact O-N 3.38Å; Q240-A243 PolarHBondContact O-N 2.95Å; Q240-Y244 HydrophobicContact CG-CD2 4.15Å; Q240-Y244 HydrophobicContact CG-CE2 3.54Å; Q240-Y244 PolarHBondContact NE2-OH 2.84Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.44Å; Q240-Y244 PolarHBondContact O-N 3.13Å
241E92.5Very high91.4Very high50 Ų5044.8 Ų44.823%0.23424%0.242CC..Hα-helixtrans-67.1-40.7176.2-168.4174.5-171.700111.7I236 C238 N239 A243 Y244 L245 R320 S521I236-E241 HydrophobicContact CG2-CB 3.81Å; I236-E241 HydrophobicContact CG2-CG 3.78Å; C238-E241 HydrophobicContact CB-CB 4.05Å; C238-E241 WeakPolarHBondContact O-CB 3.35Å; C238-E241 PolarHBondContact O-N 2.71Å; N239-E241 VanDerWaalsContact C-N 3.33Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.9Å; E241-Y244 PolarHBondContact O-N 3.23Å; E241-L245 WeakPolarHBondContact O-CG 3.49Å; E241-L245 PolarHBondContact O-N 3.3Å; E241-R320 IonicContact OE1-CZ 3.68Å; E241-R320 IonicContact OE1-NH1 2.82Å; E241-R320 PolarHBondContact OE1-NH1 2.86Å; E241-R320 VanDerWaalsContact OE1-NH1 3.08Å; E241-R320 IonicContact OE1-NH2 3.79Å; E241-S521 VanDerWaalsContact CG-OG 3.25Å; E241-S521 WeakPolarHBondContact CG-OG 3.2Å; E241-S521 PolarHBondContact OE1-OG 2.71Å
242I93.5Very high91Very high0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-60.2-44.3173.9-58.8173.8000110.4F231 I236 C238 N239 L245 M246 F260F231-I242 HydrophobicContact CB-CD1 3.7Å; F231-I242 HydrophobicContact CB-CG1 3.87Å; F231-I242 HydrophobicContact CB-CG2 4.36Å; F231-I242 HydrophobicContact CD2-CG2 3.6Å; F231-I242 HydrophobicContact CE2-CG2 3.94Å; F231-I242 HydrophobicContact CG-CD1 4.41Å; F231-I242 HydrophobicContact CG-CG1 4.19Å; F231-I242 HydrophobicContact CG-CG2 3.96Å; I236-I242 HydrophobicContact CB-CG1 4.44Å; I236-I242 HydrophobicContact CG2-CG1 3.69Å; C238-I242 WeakPolarHBondContact O-CG1 3.39Å; C238-I242 PolarHBondContact O-N 2.72Å; C238-I242 VanDerWaalsContact O-N 3.11Å; N239-I242 PolarHBondContact O-N 2.9Å; I242-L245 PolarHBondContact O-N 3.3Å; I242-M246 HydrophobicContact CG2-CE 3.77Å; I242-M246 HydrophobicContact CG2-SD 4.12Å; I242-M246 WeakPolarHBondContact O-CG 3.4Å; I242-M246 PolarHBondContact O-N 2.9Å; I242-M246 VanDerWaalsContact O-N 3.16Å; I242-F260 HydrophobicContact CB-CE1 4.15Å; I242-F260 HydrophobicContact CB-CZ 4.03Å; I242-F260 HydrophobicContact CD1-CE1 4.45Å; I242-F260 HydrophobicContact CG2-CE1 4.14Å; I242-F260 HydrophobicContact CG2-CZ 3.89Å
243A93Very high90.7Very high22 Ų2247 Ų4718%0.18226%0.256CS..Hα-helixtrans-61.7-43.3176.800000111.8N239 Q240 E241 L245 M246 G247 F260N239-A243 WeakPolarHBondContact O-CB 3.21Å; N239-A243 PolarHBondContact O-N 3.4Å; Q240-A243 PolarHBondContact O-N 2.95Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.9Å; A243-L245 VanDerWaalsContact C-N 3.29Å; A243-L245 PolarHBondContact O-N 3.09Å; A243-M246 PolarHBondContact O-N 3.23Å; A243-M246 VanDerWaalsContact O-N 3.13Å; A243-G247 CarbonylContact O-C 3.6Å; A243-G247 PolarHBondContact O-N 2.9Å; A243-F260 HydrophobicContact CB-CE2 4.48Å; A243-F260 HydrophobicContact CB-CZ 4.31Å
244Y92.2Very high90.4Very high55 Ų5554.5 Ų54.522%0.21629%0.291CS..Hα-helixtrans-60.7-34.9174.6-71.5-51.8000113.2Q240 E241 T248 H522 L525Q240-Y244 HydrophobicContact CG-CD2 4.15Å; Q240-Y244 HydrophobicContact CG-CE2 3.54Å; Q240-Y244 PolarHBondContact NE2-OH 2.84Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.44Å; Q240-Y244 PolarHBondContact O-N 3.13Å; E241-Y244 PolarHBondContact O-N 3.23Å; Y244-T248 HydrophobicContact CD1-CG2 3.32Å; Y244-T248 HydrophobicContact CE1-CG2 3.63Å; Y244-T248 HydrophobicContact CG-CG2 4.48Å; Y244-H522 HydrophobicContact CD1-CB 3.64Å; Y244-H522 HydrophobicContact CD2-CB 4.1Å; Y244-H522 HydrophobicContact CE1-CB 3.71Å; Y244-H522 HydrophobicContact CE2-CB 4.11Å; Y244-H522 HydrophobicContact CG-CB 3.9Å; Y244-L525 WeakPolarHBondContact O-CD1 3.25Å
245L91.1Very high90.2Very high4 Ų455.3 Ų55.32%0.02130%0.297CS..Hα-helixtrans-71.6-29.2175.9-68.7177.7000113.1F231 I236 E241 I242 A243 A323 V324 Q331F231-L245 HydrophobicContact CD1-CD1 4.42Å; F231-L245 HydrophobicContact CE1-CD1 3.97Å; I236-L245 HydrophobicContact CD1-CD1 3.4Å; I236-L245 VanDerWaalsContact CD1-CD1 3.4Å; E241-L245 WeakPolarHBondContact O-CG 3.49Å; E241-L245 PolarHBondContact O-N 3.3Å; I242-L245 PolarHBondContact O-N 3.3Å; A243-L245 VanDerWaalsContact C-N 3.29Å; A243-L245 PolarHBondContact O-N 3.09Å; L245-A323 HydrophobicContact CD1-CB 4.34Å; L245-V324 HydrophobicContact CD2-CG2 3.87Å; L245-Q331 PolarHBondContact O-NE2 2.76Å
246M90.7Very high90.1Very high0 Ų053.9 Ų53.90%028%0.28CS..Hα-helixtrans-89.4-21.2-178.2-64.1-177-52.800113.5L227 F231 I242 A243 Y252 Y256 F260 V330 Q331L227-M246 HydrophobicContact CD2-SD 3.92Å; F231-M246 HydrophobicContact CE2-CG 4.4Å; F231-M246 HydrophobicContact CE2-SD 4.17Å; F231-M246 HydrophobicContact CZ-CG 4.48Å; I242-M246 HydrophobicContact CG2-CE 3.77Å; I242-M246 HydrophobicContact CG2-SD 4.12Å; I242-M246 WeakPolarHBondContact O-CG 3.4Å; I242-M246 PolarHBondContact O-N 2.9Å; I242-M246 VanDerWaalsContact O-N 3.16Å; A243-M246 PolarHBondContact O-N 3.23Å; A243-M246 VanDerWaalsContact O-N 3.13Å; M246-Y252 WeakPolarHBondContact O-CD1 3.48Å; M246-Y256 HydrophobicContact CB-CD1 3.84Å; M246-Y256 HydrophobicContact CB-CE1 3.74Å; M246-Y256 HydrophobicContact CE-CD1 3.81Å; M246-Y256 HydrophobicContact CE-CD2 3.48Å; M246-Y256 VanDerWaalsContact CE-CD2 3.48Å; M246-Y256 HydrophobicContact CE-CE1 4.05Å; M246-Y256 HydrophobicContact CE-CE2 3.79Å; M246-Y256 HydrophobicContact CE-CG 3.53Å; M246-Y256 HydrophobicContact SD-CD1 4.31Å; M246-Y256 HydrophobicContact SD-CG 4.22Å; M246-F260 HydrophobicContact CE-CE2 3.67Å; M246-F260 HydrophobicContact CE-CZ 3.74Å; M246-V330 HydrophobicContact CB-CG1 4.3Å; M246-V330 HydrophobicContact CG-CB 4.43Å; M246-V330 HydrophobicContact CG-CG1 4.14Å; M246-V330 HydrophobicContact SD-CG1 4.28Å; M246-Q331 WeakPolarHBondContact O-CG 2.93Å
247G88.7Confident90Very high3 Ų356 Ų563%0.03129%0.293CS..  trans125.3137.9-17900000112.3A243 Y256A243-G247 CarbonylContact O-C 3.6Å; A243-G247 PolarHBondContact O-N 2.9Å; G247-Y256 PolarHBondContact O-OH 2.95Å
248T85.6Confident90Very high62 Ų6252.7 Ų52.738%0.3828%0.283SS..  trans-99.5-14.8-178.549.70000114.7Y244 L525Y244-T248 HydrophobicContact CD1-CG2 3.32Å; Y244-T248 HydrophobicContact CE1-CG2 3.63Å; Y244-T248 HydrophobicContact CG-CG2 4.48Å; T248-L525 HydrophobicContact CG2-CD1 4.29Å
249Q85.3Confident90Very high112 Ų11249.7 Ų49.752%0.52326%0.263SS..SBendtrans-68.4147.8-179.9-63.6175.8-4.700110.1A251 Y252 V253Q249-A251 PolarHBondContact O-N 3.05Å; Q249-A251 VanDerWaalsContact O-N 3.16Å; Q249-Y252 HydrophobicContact CB-CD2 3.81Å; Q249-Y252 HydrophobicContact CB-CE2 4.31Å; Q249-Y252 WeakPolarHBondContact O-CA 3.47Å; Q249-Y252 WeakPolarHBondContact O-CB 3.32Å; Q249-Y252 PolarHBondContact O-N 3.21Å; Q249-V253 WeakPolarHBondContact O-CG2 3.33Å; Q249-V253 PolarHBondContact O-N 3.02Å; Q249-V253 VanDerWaalsContact O-N 3.09Å
250E84.1Confident90Very high170 Ų17048.1 Ų48.179%0.79425%0.253SS*.Hα-helixtrans-52.5-41.5-176.8-173.3173.1-168.500112.9Y252 V253 E254E250-Y252 PolarHBondContact O-N 2.64Å; E250-Y252 VanDerWaalsContact O-N 3.14Å; E250-V253 PolarHBondContact O-N 3.11Å; E250-V253 VanDerWaalsContact O-N 3.11Å; E250-E254 PolarHBondContact O-N 2.88Å
251A86.2Confident90.1Very high46 Ų4649 Ų4938%0.3826%0.255SS..Hα-helixtrans-58.9-2517600000114.3Q249 P255Q249-A251 PolarHBondContact O-N 3.05Å; Q249-A251 VanDerWaalsContact O-N 3.16Å; A251-P255 VanDerWaalsContact O-CD 3.3Å; A251-P255 WeakPolarHBondContact O-CD 3.2Å
252Y87Confident90.1Very high18 Ų1848 Ų487%0.07125%0.251CS..Hα-helixtrans-90.9-35.8176.2-67.2-108000111.7M246 Q249 E250 P255 Y256 Q331 I334 Q335M246-Y252 WeakPolarHBondContact O-CD1 3.48Å; Q249-Y252 HydrophobicContact CB-CD2 3.81Å; Q249-Y252 HydrophobicContact CB-CE2 4.31Å; Q249-Y252 WeakPolarHBondContact O-CA 3.47Å; Q249-Y252 WeakPolarHBondContact O-CB 3.32Å; Q249-Y252 PolarHBondContact O-N 3.21Å; E250-Y252 PolarHBondContact O-N 2.64Å; E250-Y252 VanDerWaalsContact O-N 3.14Å; Y252-P255 WeakPolarHBondContact O-CD 3.1Å; Y252-Y256 VanDerWaalsContact C-CE1 3.46Å; Y252-Y256 WeakPolarHBondContact O-CD1 3.39Å; Y252-Y256 WeakPolarHBondContact O-CE1 3.23Å; Y252-Q331 HydrophobicContact CD1-CG 4.46Å; Y252-Q331 HydrophobicContact CE1-CB 4.19Å; Y252-Q331 HydrophobicContact CE1-CG 4.23Å; Y252-I334 HydrophobicContact CD1-CB 3.99Å; Y252-I334 HydrophobicContact CD1-CD1 3.95Å; Y252-I334 HydrophobicContact CD1-CG2 3.59Å; Y252-I334 HydrophobicContact CD2-CG2 4.34Å; Y252-I334 HydrophobicContact CE1-CB 4.25Å; Y252-I334 HydrophobicContact CE1-CG2 3.97Å; Y252-I334 HydrophobicContact CG-CD1 4.46Å; Y252-I334 HydrophobicContact CG-CG2 3.81Å; Y252-Q335 HydrophobicContact CE1-CG 4.22Å; Y252-Q335 WeakPolarHBondContact OH-CG 2.78Å; Y252-Q335 PolarHBondContact OH-NE2 3.48Å
253V89.3Confident90Very high50 Ų5048.1 Ų48.130%0.30325%0.251SS..Hα-helixtrans-63.4-49-176.5177.90000111.1Q249 E250 Y256 V257Q249-V253 WeakPolarHBondContact O-CG2 3.33Å; Q249-V253 PolarHBondContact O-N 3.02Å; Q249-V253 VanDerWaalsContact O-N 3.09Å; E250-V253 PolarHBondContact O-N 3.11Å; E250-V253 VanDerWaalsContact O-N 3.11Å; V253-Y256 HydrophobicContact CG1-CE2 4.42Å; V253-Y256 WeakPolarHBondContact CG2-OH 3.28Å; V253-Y256 PolarHBondContact O-N 2.71Å; V253-V257 HydrophobicContact CG1-CG2 3.51Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 3.21Å; V253-V257 VanDerWaalsContact O-N 3.13Å
254E88.2Confident90Very high159 Ų15950.2 Ų50.274%0.74327%0.268SS*.Hα-helixtrans-54.2-49.7-175.2175.8-178.7-160.200113.5E250 Y256E250-E254 PolarHBondContact O-N 2.88Å; E254-Y256 PolarHBondContact O-N 3.08Å
255P89.5Confident90.1Very high25 Ų2553.7 Ų53.716%0.16229%0.291CS..Hα-helixtrans-58.6-35.4178.8-28.833.6000116G212 F214 A251 Y252 I334G212-P255 CarbonylContact C-O 3.56Å; G212-P255 VanDerWaalsContact O-O 3.12Å; F214-P255 HydrophobicContact CE2-CB 4.1Å; F214-P255 HydrophobicContact CZ-CB 4.32Å; A251-P255 VanDerWaalsContact O-CD 3.3Å; A251-P255 WeakPolarHBondContact O-CD 3.2Å; Y252-P255 WeakPolarHBondContact O-CD 3.1Å; P255-I334 HydrophobicContact CB-CD1 4.38Å; P255-I334 HydrophobicContact CB-CG1 4.19Å; P255-I334 HydrophobicContact CG-CG1 4.31Å; P255-I334 HydrophobicContact CG-CG2 4.42Å
256Y91.4Very high90.1Very high8 Ų857 Ų573%0.03131%0.308CS..Hα-helixtrans-100.5-11-173.166.5-118.9000114.5M246 G247 Y252 V253 E254 G258 S259 F260 I334M246-Y256 HydrophobicContact CB-CD1 3.84Å; M246-Y256 HydrophobicContact CB-CE1 3.74Å; M246-Y256 HydrophobicContact CE-CD1 3.81Å; M246-Y256 HydrophobicContact CE-CD2 3.48Å; M246-Y256 VanDerWaalsContact CE-CD2 3.48Å; M246-Y256 HydrophobicContact CE-CE1 4.05Å; M246-Y256 HydrophobicContact CE-CE2 3.79Å; M246-Y256 HydrophobicContact CE-CG 3.53Å; M246-Y256 HydrophobicContact SD-CD1 4.31Å; M246-Y256 HydrophobicContact SD-CG 4.22Å; G247-Y256 PolarHBondContact O-OH 2.95Å; Y252-Y256 VanDerWaalsContact C-CE1 3.46Å; Y252-Y256 WeakPolarHBondContact O-CD1 3.39Å; Y252-Y256 WeakPolarHBondContact O-CE1 3.23Å; V253-Y256 HydrophobicContact CG1-CE2 4.42Å; V253-Y256 WeakPolarHBondContact CG2-OH 3.28Å; V253-Y256 PolarHBondContact O-N 2.71Å; E254-Y256 PolarHBondContact O-N 3.08Å; Y256-G258 PolarHBondContact O-N 2.84Å; Y256-G258 VanDerWaalsContact O-N 3.17Å; Y256-S259 WeakPolarHBondContact O-CA 3.3Å; Y256-S259 WeakPolarHBondContact O-CB 3.15Å; Y256-S259 PolarHBondContact O-N 3.27Å; Y256-S259 PolarHBondContact O-OG 2.84Å; Y256-F260 AromaticContact CD2-CD2 3.96Å; Y256-F260 HydrophobicContact CD2-CD2 3.96Å; Y256-F260 AromaticContact CD2-CE2 3.58Å; Y256-F260 HydrophobicContact CD2-CE2 3.58Å; Y256-F260 HydrophobicContact CE2-CD2 4.22Å; Y256-F260 AromaticContact CE2-CE2 3.6Å; Y256-F260 HydrophobicContact CE2-CE2 3.6Å; Y256-I334 HydrophobicContact CD1-CD1 4.15Å
257V91.7Very high90.2Very high52 Ų5265.5 Ų65.532%0.31535%0.345SS..Hα-helixtrans-52.6-40.6-176.6163.50000112V253 S259 F260 F261V253-V257 HydrophobicContact CG1-CG2 3.51Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 3.21Å; V253-V257 VanDerWaalsContact O-N 3.13Å; V257-S259 PolarHBondContact O-N 2.82Å; V257-F260 PolarHBondContact O-N 2.89Å; V257-F260 VanDerWaalsContact O-N 3.13Å; V257-F261 HydrophobicContact CG1-CD2 3.94Å; V257-F261 HydrophobicContact CG1-CE2 3.4Å; V257-F261 VanDerWaalsContact CG1-CE2 3.4Å; V257-F261 HydrophobicContact CG1-CZ 4.39Å; V257-F261 WeakPolarHBondContact O-CD2 3.42Å
258G91.8Very high90.4Very high21 Ų2165.9 Ų65.922%0.21635%0.347CS..Hα-helixtrans-58.2-28.6176.800000114.2G212 Y256 F261 E262G212-G258 WeakPolarHBondContact O-CA 3.5Å; Y256-G258 PolarHBondContact O-N 2.84Å; Y256-G258 VanDerWaalsContact O-N 3.17Å; G258-F261 PolarHBondContact O-N 2.83Å; G258-E262 PolarHBondContact O-N 2.84Å
259S93.2Very high90.6Very high1 Ų170.7 Ų70.71%0.00736%0.362CS..Hα-helixtrans-70.9-31.3179.6-49.50000112.4K213 F214 C228 Y256 V257 C263K213-S259 WeakPolarHBondContact CA-OG 3.37Å; F214-S259 PolarHBondContact N-OG 2.8Å; C228-S259 PolarHBondContact SG-O 2.93Å; Y256-S259 WeakPolarHBondContact O-CA 3.3Å; Y256-S259 WeakPolarHBondContact O-CB 3.15Å; Y256-S259 PolarHBondContact O-N 3.27Å; Y256-S259 PolarHBondContact O-OG 2.84Å; V257-S259 PolarHBondContact O-N 2.82Å; S259-C263 PolarHBondContact O-N 3.18Å
260F93.3Very high90.9Very high35 Ų3567.6 Ų67.615%0.15435%0.353CS..Hα-helixtrans-71.9-40.2175.6-76.5-67.6000111.8N239 I242 A243 M246 Y256 V257 C263 A264N239-F260 HydrophobicContact CB-CD1 4.07Å; N239-F260 HydrophobicContact CB-CE1 3.7Å; N239-F260 HydrophobicContact CB-CZ 4.5Å; I242-F260 HydrophobicContact CB-CE1 4.15Å; I242-F260 HydrophobicContact CB-CZ 4.03Å; I242-F260 HydrophobicContact CD1-CE1 4.45Å; I242-F260 HydrophobicContact CG2-CE1 4.14Å; I242-F260 HydrophobicContact CG2-CZ 3.89Å; A243-F260 HydrophobicContact CB-CE2 4.48Å; A243-F260 HydrophobicContact CB-CZ 4.31Å; M246-F260 HydrophobicContact CE-CE2 3.67Å; M246-F260 HydrophobicContact CE-CZ 3.74Å; Y256-F260 AromaticContact CD2-CD2 3.96Å; Y256-F260 HydrophobicContact CD2-CD2 3.96Å; Y256-F260 AromaticContact CD2-CE2 3.58Å; Y256-F260 HydrophobicContact CD2-CE2 3.58Å; Y256-F260 HydrophobicContact CE2-CD2 4.22Å; Y256-F260 AromaticContact CE2-CE2 3.6Å; Y256-F260 HydrophobicContact CE2-CE2 3.6Å; V257-F260 PolarHBondContact O-N 2.89Å; V257-F260 VanDerWaalsContact O-N 3.13Å; F260-C263 PolarHBondContact O-N 2.95Å; F260-A264 PolarHBondContact O-N 2.98Å
261F93.1Very high91.4Very high136 Ų13662.5 Ų62.560%0.59633%0.329SS*.Hα-helixtrans-62.4-45.6176.2-70-62.1000111.7V257 G258 C263 A264 D265V257-F261 HydrophobicContact CG1-CD2 3.94Å; V257-F261 HydrophobicContact CG1-CE2 3.4Å; V257-F261 VanDerWaalsContact CG1-CE2 3.4Å; V257-F261 HydrophobicContact CG1-CZ 4.39Å; V257-F261 WeakPolarHBondContact O-CD2 3.42Å; G258-F261 PolarHBondContact O-N 2.83Å; F261-C263 VanDerWaalsContact C-N 3.32Å; F261-C263 PolarHBondContact O-N 3.38Å; F261-A264 WeakPolarHBondContact O-CA 3.44Å; F261-A264 WeakPolarHBondContact O-CB 3.47Å; F261-A264 PolarHBondContact O-N 2.85Å; F261-D265 PolarHBondContact O-N 2.87Å
262E92.9Very high91.7Very high30 Ų3063.8 Ų63.814%0.1433%0.33CS..Hα-helixtrans-60.6-40.4177-178170.7-107.700112.7K213 Y215 P226 G258 A264 D265 L266K213-E262 HydrophobicContact CD-CB 4.42Å; K213-E262 IonicContact NZ-OE1 2.67Å; K213-E262 PolarHBondContact NZ-OE1 2.9Å; Y215-E262 VanDerWaalsContact CE1-OE2 3.23Å; Y215-E262 WeakPolarHBondContact CE1-OE2 3.19Å; Y215-E262 PolarHBondContact OH-OE1 2.98Å; Y215-E262 PolarHBondContact OH-OE2 2.87Å; P226-E262 HydrophobicContact CG-CG 4.38Å; P226-E262 WeakPolarHBondContact CG-OE2 3.3Å; G258-E262 PolarHBondContact O-N 2.84Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.62Å; E262-D265 PolarHBondContact O-N 3.04Å; E262-L266 HydrophobicContact CG-CD1 4.23Å; E262-L266 WeakPolarHBondContact O-CG 3.05Å; E262-L266 PolarHBondContact O-N 3.05Å
263C92.2Very high92.1Very high1 Ų164.9 Ų64.91%0.00734%0.34CS..Hα-helixtrans-65.2-34.7175.6-168.80000112.3C228 R232 S259 F260 F261 K267C228-C263 HydrophobicContact CB-CB 3.72Å; R232-C263 PolarHBondContact NE-SG 2.95Å; S259-C263 PolarHBondContact O-N 3.18Å; F260-C263 PolarHBondContact O-N 2.95Å; F261-C263 VanDerWaalsContact C-N 3.32Å; F261-C263 PolarHBondContact O-N 3.38Å; C263-K267 PolarHBondContact O-N 3Å
264A92.4Very high92.3Very high66 Ų6662.5 Ų62.555%0.54533%0.325SS..Hα-helixtrans-69-42.1175.700000111.6F260 F261 E262 L266 K267F260-A264 PolarHBondContact O-N 2.98Å; F261-A264 WeakPolarHBondContact O-CA 3.44Å; F261-A264 WeakPolarHBondContact O-CB 3.47Å; F261-A264 PolarHBondContact O-N 2.85Å; E262-A264 VanDerWaalsContact C-N 3.29Å; E262-A264 PolarHBondContact O-N 2.62Å; A264-L266 VanDerWaalsContact C-N 3.34Å; A264-L266 PolarHBondContact O-N 3.19Å; A264-K267 WeakPolarHBondContact O-CA 3.44Å; A264-K267 PolarHBondContact O-N 3.05Å
265D93.8Very high92.6Very high129 Ų12955 Ų5569%0.6929%0.29SS*.Hα-helixtrans-62.4-39.8177.2-69.1-22.9000112F261 E262 K267F261-D265 PolarHBondContact O-N 2.87Å; E262-D265 PolarHBondContact O-N 3.04Å; D265-K267 PolarHBondContact O-N 3.36Å
266L92.9Very high92.8Very high74 Ų7460.9 Ų60.939%0.38731%0.309SS..THydrogen-bonded Turntrans-71.7-5.9175.2-67.7171.4000113.4P226 I229 E262 A264 I268P226-L266 HydrophobicContact CG-CD1 4.1Å; I229-L266 HydrophobicContact CD1-CD1 3.69Å; E262-L266 HydrophobicContact CG-CD1 4.23Å; E262-L266 WeakPolarHBondContact O-CG 3.05Å; E262-L266 PolarHBondContact O-N 3.05Å; A264-L266 VanDerWaalsContact C-N 3.34Å; A264-L266 PolarHBondContact O-N 3.19Å; L266-I268 HydrophobicContact CB-CD1 4.22Å; L266-I268 HydrophobicContact CB-CG1 4.07Å; L266-I268 WeakPolarHBondContact O-CG1 3.27Å; L266-I268 PolarHBondContact O-N 3.36Å
267K91.8Very high92.9Very high177 Ų17762.4 Ų62.477%0.7732%0.315SS*.THydrogen-bonded Turntrans56.427.1178.7-59.3177.4-177.8175.90114.3C263 A264 D265 K269C263-K267 PolarHBondContact O-N 3Å; A264-K267 WeakPolarHBondContact O-CA 3.44Å; A264-K267 PolarHBondContact O-N 3.05Å; D265-K267 PolarHBondContact O-N 3.36Å; K267-K269 PolarHBondContact O-N 2.89Å
268I92.1Very high93Very high12 Ų1260 Ų606%0.06230%0.3CS..  trans-89.8102-179.2-56.5-175.3000109.3I229 R232 L266 S273 A274 Y277I229-I268 HydrophobicContact CD1-CD1 3.62Å; I229-I268 HydrophobicContact CG1-CD1 4.01Å; I229-I268 HydrophobicContact CG2-CD1 4.3Å; R232-I268 WeakPolarHBondContact CD-O 3.37Å; R232-I268 PolarHBondContact NE-O 3.34Å; R232-I268 PolarHBondContact NH1-O 2.92Å; L266-I268 HydrophobicContact CB-CD1 4.22Å; L266-I268 HydrophobicContact CB-CG1 4.07Å; L266-I268 WeakPolarHBondContact O-CG1 3.27Å; L266-I268 PolarHBondContact O-N 3.36Å; I268-S273 WeakPolarHBondContact CG2-OG 2.88Å; I268-A274 HydrophobicContact CG2-CB 3.85Å; I268-Y277 HydrophobicContact CD1-CD1 4.25Å; I268-Y277 HydrophobicContact CD1-CD2 3.33Å; I268-Y277 HydrophobicContact CD1-CE2 3.84Å; I268-Y277 HydrophobicContact CD1-CG 3.55Å
269K90.1Very high93Very high162 Ų16259 Ų5970%0.70429%0.291SS*.  trans-101.2-40.9-176.8-65.7-173.4-179.2-176.80114.9R232 K267R232-K269 VanDerWaalsContact NH1-CA 3.26Å; R232-K269 PolarHBondContact NH1-O 2.79Å; K267-K269 PolarHBondContact O-N 2.89Å
270S93Very high92.9Very high47 Ų4761.8 Ų61.833%0.32931%0.314SS..SBendtrans-102.5159.8-173.1630000113.1E237 N272 S273 A274E237-S270 WeakPolarHBondContact OE1-CA 2.87Å; S270-N272 VanDerWaalsContact C-N 3.26Å; S270-N272 PolarHBondContact O-N 3.44Å; S270-S273 PolarHBondContact N-OG 3.03Å; S270-S273 PolarHBondContact O-N 3.27Å; S270-S273 PolarHBondContact O-OG 3.34Å; S270-S273 PolarHBondContact OG-N 3.21Å; S270-S273 PolarHBondContact OG-OG 2.72Å; S270-A274 PolarHBondContact O-N 3.39Å
271Q93.9Very high92.8Very high63 Ų6362.5 Ų62.529%0.29432%0.315SS..Hα-helixtrans-56.9-42.4173.2-177.8-17834.900111.2R232 A233 E237 S273 A274 L275R232-Q271 WeakPolarHBondContact O-CA 3.18Å; R232-Q271 WeakPolarHBondContact O-CB 3.4Å; R232-Q271 WeakPolarHBondContact O-CG 3.34Å; A233-Q271 PolarHBondContact O-NE2 3.32Å; A233-Q271 VanDerWaalsContact O-NE2 3.07Å; E237-Q271 WeakPolarHBondContact OE1-CB 3.49Å; E237-Q271 PolarHBondContact OE1-N 2.82Å; Q271-S273 PolarHBondContact O-N 3.23Å; Q271-A274 PolarHBondContact O-N 3.13Å; Q271-L275 HydrophobicContact CG-CD1 3.98Å; Q271-L275 HydrophobicContact CG-CG 4.35Å; Q271-L275 WeakPolarHBondContact O-CB 3.38Å; Q271-L275 WeakPolarHBondContact O-CG 3.4Å; Q271-L275 PolarHBondContact O-N 3.05Å
272N93.1Very high92.5Very high74 Ų7457.3 Ų57.340%0.39630%0.295SS..Hα-helixtrans-63.1-39.6179.8-75.9-38.7000112.6S270 R276 K297S270-N272 VanDerWaalsContact C-N 3.26Å; S270-N272 PolarHBondContact O-N 3.44Å; N272-R276 WeakPolarHBondContact O-CG 3.31Å; N272-R276 PolarHBondContact O-N 3.09Å; N272-K297 VanDerWaalsContact OD1-CE 3.3Å; N272-K297 WeakPolarHBondContact OD1-CE 3.39Å; N272-K297 PolarHBondContact OD1-NZ 2.92Å
273S93.9Very high92Very high40 Ų4060.7 Ų60.728%0.2831%0.309SS..Hα-helixtrans-71.6-37.3176.562.20000111.5I268 S270 Q271 R276 Y277I268-S273 WeakPolarHBondContact CG2-OG 2.88Å; S270-S273 PolarHBondContact N-OG 3.03Å; S270-S273 PolarHBondContact O-N 3.27Å; S270-S273 PolarHBondContact O-OG 3.34Å; S270-S273 PolarHBondContact OG-N 3.21Å; S270-S273 PolarHBondContact OG-OG 2.72Å; Q271-S273 PolarHBondContact O-N 3.23Å; S273-R276 PolarHBondContact O-N 2.99Å; S273-Y277 WeakPolarHBondContact O-CB 3.03Å; S273-Y277 PolarHBondContact O-N 3.22Å
274A94.7Very high90.9Very high0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-61.8-45.7174.100000112.3I229 R232 A233 I268 S270 Q271 R276 Y277 I278I229-A274 HydrophobicContact CG2-CB 3.92Å; R232-A274 HydrophobicContact CB-CB 3.88Å; A233-A274 HydrophobicContact CB-CB 3.96Å; I268-A274 HydrophobicContact CG2-CB 3.85Å; S270-A274 PolarHBondContact O-N 3.39Å; Q271-A274 PolarHBondContact O-N 3.13Å; A274-R276 PolarHBondContact O-N 2.88Å; A274-Y277 WeakPolarHBondContact O-CB 3.37Å; A274-Y277 PolarHBondContact O-N 3.07Å; A274-I278 WeakPolarHBondContact O-CG1 3.36Å; A274-I278 PolarHBondContact O-N 3.18Å
275L94.1Very high89Confident2 Ų273.4 Ų73.41%0.0135%0.348CS..Hα-helixtrans-61.4-44176.7-72.5170000111.9A233 Q271 Y277 I278 G279 K297 A300 L301 L304A233-L275 HydrophobicContact CB-CD2 3.95Å; A233-L275 HydrophobicContact CB-CG 4.28Å; Q271-L275 HydrophobicContact CG-CD1 3.98Å; Q271-L275 HydrophobicContact CG-CG 4.35Å; Q271-L275 WeakPolarHBondContact O-CB 3.38Å; Q271-L275 WeakPolarHBondContact O-CG 3.4Å; Q271-L275 PolarHBondContact O-N 3.05Å; L275-Y277 VanDerWaalsContact C-N 3.29Å; L275-Y277 PolarHBondContact O-N 3.4Å; L275-I278 PolarHBondContact O-N 3.37Å; L275-G279 PolarHBondContact O-N 3.3Å; L275-K297 HydrophobicContact CB-CG 3.97Å; L275-K297 HydrophobicContact CD1-CD 4.37Å; L275-K297 HydrophobicContact CD1-CG 3.82Å; L275-A300 HydrophobicContact CB-CB 4.21Å; L275-A300 HydrophobicContact CD2-CB 3.9Å; L275-A300 WeakPolarHBondContact O-CB 3.4Å; L275-L301 HydrophobicContact CD1-CD1 4.44Å; L275-L301 HydrophobicContact CD1-CD2 3.9Å; L275-L301 HydrophobicContact CD1-CG 4.07Å; L275-L301 HydrophobicContact CD2-CD2 3.74Å; L275-L301 HydrophobicContact CD2-CG 3.97Å; L275-L304 HydrophobicContact CD2-CD1 4.1Å
276R93.3Very high86.7Confident149 Ų14973.2 Ų73.256%0.56235%0.345SS*.Hα-helixtrans-63-36.1175.6-73.7178178.91570112.5N272 S273 A274 G279 A280N272-R276 WeakPolarHBondContact O-CG 3.31Å; N272-R276 PolarHBondContact O-N 3.09Å; S273-R276 PolarHBondContact O-N 2.99Å; A274-R276 PolarHBondContact O-N 2.88Å; R276-G279 PolarHBondContact O-N 2.8Å; R276-A280 WeakPolarHBondContact O-CB 3.49Å; R276-A280 PolarHBondContact O-N 3.19Å
277Y94Very high84.2Confident39 Ų3978.4 Ų78.415%0.15337%0.368CS..Hα-helixtrans-63.3-44.2176.8-175.3-87.7000112.1I225 I229 I268 S273 A274 L275 R281I225-Y277 HydrophobicContact CG2-CD1 4.48Å; I225-Y277 HydrophobicContact CG2-CE1 4.31Å; I229-Y277 HydrophobicContact CD1-CD1 4.05Å; I229-Y277 HydrophobicContact CD1-CE1 3.77Å; I229-Y277 HydrophobicContact CG2-CD1 3.95Å; I229-Y277 HydrophobicContact CG2-CG 4.43Å; I268-Y277 HydrophobicContact CD1-CD1 4.25Å; I268-Y277 HydrophobicContact CD1-CD2 3.33Å; I268-Y277 HydrophobicContact CD1-CE2 3.84Å; I268-Y277 HydrophobicContact CD1-CG 3.55Å; S273-Y277 WeakPolarHBondContact O-CB 3.03Å; S273-Y277 PolarHBondContact O-N 3.22Å; A274-Y277 WeakPolarHBondContact O-CB 3.37Å; A274-Y277 PolarHBondContact O-N 3.07Å; L275-Y277 VanDerWaalsContact C-N 3.29Å; L275-Y277 PolarHBondContact O-N 3.4Å; Y277-R281 VanDerWaalsContact CD2-NH1 3.27Å; Y277-R281 WeakPolarHBondContact O-CD 3.41Å; Y277-R281 PolarHBondContact O-NH1 2.92Å; Y277-R281 PolarHBondContact OH-NE 3.4Å; Y277-R281 PolarHBondContact OH-NH2 3.11Å
278I93.8Very high81.7Confident1 Ų175.7 Ų75.71%0.00536%0.361CS..Hα-helixtrans-68.1-44.4176.3-62.5173.2000110.7I225 I229 A233 A274 L275 A280 R281 T282 A300 F303 L304I225-I278 HydrophobicContact CD1-CB 4.17Å; I225-I278 HydrophobicContact CD1-CG1 3.91Å; I225-I278 HydrophobicContact CD1-CG2 3.94Å; I225-I278 HydrophobicContact CG2-CG1 4.28Å; I229-I278 HydrophobicContact CG2-CG1 4.43Å; A233-I278 HydrophobicContact CB-CD1 3.42Å; A233-I278 VanDerWaalsContact CB-CD1 3.42Å; A274-I278 WeakPolarHBondContact O-CG1 3.36Å; A274-I278 PolarHBondContact O-N 3.18Å; L275-I278 PolarHBondContact O-N 3.37Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 2.8Å; I278-R281 CarbonylContact O-C 3.54Å; I278-R281 PolarHBondContact O-N 3.31Å; I278-T282 PolarHBondContact O-N 2.9Å; I278-T282 PolarHBondContact O-OG1 3.22Å; I278-A300 HydrophobicContact CB-CB 3.93Å; I278-A300 HydrophobicContact CG2-CB 3.94Å; I278-F303 HydrophobicContact CG2-CD1 4.03Å; I278-L304 HydrophobicContact CD1-CD1 4.33Å
279G91.5Very high79.3Confident2 Ų284.3 Ų84.32%0.02140%0.398CS..Hα-helixtrans-58.7-42.2-179.800000112.5L275 R276 R281 T282 K296L275-G279 PolarHBondContact O-N 3.3Å; R276-G279 PolarHBondContact O-N 2.8Å; G279-R281 PolarHBondContact O-N 3.43Å; G279-R281 VanDerWaalsContact O-N 3.13Å; G279-T282 PolarHBondContact O-N 3.26Å; G279-K296 VanDerWaalsContact CA-O 3.28Å; G279-K296 WeakPolarHBondContact CA-O 3.38Å
280A91Very high77Confident58 Ų5884 Ų8448%0.47940%0.404SS..THydrogen-bonded Turntrans-61.9-20.5176.200000114.4R276 I278 K296R276-A280 WeakPolarHBondContact O-CB 3.49Å; R276-A280 PolarHBondContact O-N 3.19Å; I278-A280 VanDerWaalsContact C-N 3.31Å; I278-A280 PolarHBondContact O-N 2.8Å; A280-K296 HydrophobicContact CB-CD 4.36Å
281R91.7Very high74.8Confident51 Ų5187.5 Ų87.519%0.19242%0.419CS..THydrogen-bonded Turntrans-107.63.1-177.6-69.3163.3169.565.816.3113.4L221 S222 E223 Y277 I278 G279L221-R281 CarbonylContact C-O 3.49Å; L221-R281 WeakPolarHBondContact CA-O 3.33Å; S222-R281 PolarHBondContact N-O 3.38Å; S222-R281 WeakPolarHBondContact OG-CA 3.49Å; S222-R281 PolarHBondContact OG-O 3.46Å; E223-R281 VanDerWaalsContact CD-NE 3.26Å; E223-R281 HydrophobicContact CG-CG 3.99Å; E223-R281 IonicContact OE1-CZ 2.75Å; E223-R281 IonicContact OE1-NE 3.69Å; E223-R281 PolarHBondContact OE1-NE 2.93Å; E223-R281 IonicContact OE1-NH2 2.93Å; E223-R281 PolarHBondContact OE1-NH2 3.4Å; Y277-R281 VanDerWaalsContact CD2-NH1 3.27Å; Y277-R281 WeakPolarHBondContact O-CD 3.41Å; Y277-R281 PolarHBondContact O-NH1 2.92Å; Y277-R281 PolarHBondContact OH-NE 3.4Å; Y277-R281 PolarHBondContact OH-NH2 3.11Å; I278-R281 CarbonylContact O-C 3.54Å; I278-R281 PolarHBondContact O-N 3.31Å; G279-R281 PolarHBondContact O-N 3.43Å; G279-R281 VanDerWaalsContact O-N 3.13Å
282T86.8Confident72.7Confident26 Ų2691.5 Ų91.516%0.1644%0.442CS..BIsolated β-bridgetrans-83.6123.4177.7-57.50000108.8I278 G279 K284I278-T282 PolarHBondContact O-N 2.9Å; I278-T282 PolarHBondContact O-OG1 3.22Å; G279-T282 PolarHBondContact O-N 3.26Å; T282-K284 PolarHBondContact O-N 3.12Å
283K82.8Confident70.8Confident101 Ų10197.6 Ų97.644%0.43947%0.468SS..PPolyproline II helixtrans-67120.7179.5-67.5177.1-176.5157.60110N219 K220 L221N219-K283 PolarHBondContact O-NZ 3.33Å; N219-K283 VanDerWaalsContact O-NZ 3.14Å; K220-K283 PolarHBondContact O-N 3.19Å; L221-K283 WeakPolarHBondContact O-CE 3.42Å; L221-K283 PolarHBondContact O-NZ 2.98Å
284K68Low69.2Low133 Ų13398.9 Ų98.958%0.57847%0.474SS*.PPolyproline II helixtrans-77.9121.9169.1-60.7-168.6-178.6-148.90109.4T282 I286 E299T282-K284 PolarHBondContact O-N 3.12Å; K284-I286 VanDerWaalsContact C-N 3.34Å; K284-E299 WeakPolarHBondContact CE-OE1 3.25Å; K284-E299 WeakPolarHBondContact CE-OE2 3.27Å; K284-E299 IonicContact NZ-OE1 2.8Å; K284-E299 PolarHBondContact NZ-OE1 3.01Å; K284-E299 IonicContact NZ-OE2 3.68Å
285Y52.9Low68.5Low202 Ų202102.9 Ų102.979%0.79250%0.496SS*.SBendtrans-82.6-9.2177.9-103.1-87.7000113.8
286I46.2Very low68.1Low124 Ų124108.3 Ų108.364%0.63652%0.519SS*.  trans-140.5108.8-177.8-55.1179000109K284 L288K284-I286 VanDerWaalsContact C-N 3.34Å; I286-L288 HydrophobicContact CG2-CB 4.35Å; I286-L288 HydrophobicContact CG2-CD1 3.88Å; I286-L288 HydrophobicContact CG2-CG 3.65Å; I286-L288 PolarHBondContact O-N 2.97Å; I286-L288 VanDerWaalsContact O-N 3.1Å
287Q38.8Very low67.9Low184 Ų184104.3 Ų104.386%0.8651%0.506SS*.  trans-74.680159.9-75.8-177.9-14.100108.2K289Q287-K289 PolarHBondContact O-N 2.81Å
288L40.8Very low67.7Low119 Ų119105.8 Ų105.862%0.62351%0.514SS*.  trans-79.7111.5157.1-83.7160.5000105.7I286 N290I286-L288 HydrophobicContact CG2-CB 4.35Å; I286-L288 HydrophobicContact CG2-CD1 3.88Å; I286-L288 HydrophobicContact CG2-CG 3.65Å; I286-L288 PolarHBondContact O-N 2.97Å; I286-L288 VanDerWaalsContact O-N 3.1Å; L288-N290 PolarHBondContact O-N 3.48Å
289K41.5Very low67.4Low194 Ų194107.2 Ų107.284%0.84352%0.521SS*.THydrogen-bonded Turntrans-61.3-2.4-170.7-93.1-178.5171.1-1790115.4Q287Q287-K289 PolarHBondContact O-N 2.81Å
290N42.2Very low67.3Low154 Ų154107.1 Ų107.182%0.82452%0.52SS*.THydrogen-bonded Turntrans-142.717.9-168.2-75.7-12.4000115.6L288L288-N290 PolarHBondContact O-N 3.48Å
291D45Very low67.3Low122 Ų122105.3 Ų105.365%0.65250%0.502SS*.SBendtrans-89.8123.8169-86.5-25.8000109.2
292D50.6Low67.1Low147 Ų147105.1 Ų105.179%0.78651%0.505SS*.  trans-36.9145.5176-64.1-48.1000112.6V294D292-V294 VanDerWaalsContact C-N 3.31Å; D292-V294 PolarHBondContact O-N 2.9Å
293E54.2Low67.3Low201 Ų201104.3 Ų104.394%0.93950%0.499SS*.  trans-38.589.2178.2-78.2-170.2137.200112.3D295E293-D295 PolarHBondContact O-N 3.26Å
294V60.2Low67.6Low67 Ų6799.7 Ų99.741%0.40648%0.479SS..  trans-60.7119.1175.7-1790000105.7D292 K296 E299D292-V294 VanDerWaalsContact C-N 3.31Å; D292-V294 PolarHBondContact O-N 2.9Å; V294-K296 PolarHBondContact O-N 3.12Å; V294-E299 HydrophobicContact CB-CG 4.48Å; V294-E299 HydrophobicContact CG1-CG 3.69Å
295D80.2Confident68.6Low84 Ų8495.1 Ų95.145%0.44946%0.461SS..  trans-53.7118.4-177.1-176.5-1.5000108.1E293 K297 E298 E299E293-D295 PolarHBondContact O-N 3.26Å; D295-K297 PolarHBondContact O-N 3Å; D295-K297 WeakPolarHBondContact OD1-CB 3.43Å; D295-K297 PolarHBondContact OD1-N 3.48Å; D295-E298 HydrophobicContact CB-CB 4.23Å; D295-E298 WeakPolarHBondContact O-CA 3.39Å; D295-E298 WeakPolarHBondContact O-CB 3.46Å; D295-E298 PolarHBondContact O-N 3.2Å; D295-E299 PolarHBondContact O-N 3.14Å
296K85.8Confident70Confident117 Ų11791.2 Ų91.251%0.50945%0.448SS..Hα-helixtrans-52.7-29.5179.6-66.2177.9-178.8174.70111G279 A280 V294 E299 A300G279-K296 VanDerWaalsContact CA-O 3.28Å; G279-K296 WeakPolarHBondContact CA-O 3.38Å; A280-K296 HydrophobicContact CB-CD 4.36Å; V294-K296 PolarHBondContact O-N 3.12Å; K296-E299 PolarHBondContact O-N 3.03Å; K296-A300 PolarHBondContact O-N 2.95Å; K296-A300 VanDerWaalsContact O-N 3.16Å
297K88.5Confident71.9Confident65 Ų6586 Ų8628%0.28342%0.422SS..Hα-helixtrans-61.9-43.8173.4-175.8-178.5170.1174.60112.3N272 L275 D295 A300 L301N272-K297 VanDerWaalsContact OD1-CE 3.3Å; N272-K297 WeakPolarHBondContact OD1-CE 3.39Å; N272-K297 PolarHBondContact OD1-NZ 2.92Å; L275-K297 HydrophobicContact CB-CG 3.97Å; L275-K297 HydrophobicContact CD1-CD 4.37Å; L275-K297 HydrophobicContact CD1-CG 3.82Å; D295-K297 PolarHBondContact O-N 3Å; D295-K297 WeakPolarHBondContact OD1-CB 3.43Å; D295-K297 PolarHBondContact OD1-N 3.48Å; K297-A300 PolarHBondContact O-N 3.27Å; K297-L301 HydrophobicContact CG-CD1 4.33Å; K297-L301 WeakPolarHBondContact O-CG 3.31Å; K297-L301 PolarHBondContact O-N 3.25Å
298E88.6Confident74.2Confident69 Ų6977.3 Ų77.332%0.32238%0.382SS..Hα-helixtrans-63.7-41.3178.8-173.160.4-149.400111.4D295 L301 N302 R316D295-E298 HydrophobicContact CB-CB 4.23Å; D295-E298 WeakPolarHBondContact O-CA 3.39Å; D295-E298 WeakPolarHBondContact O-CB 3.46Å; D295-E298 PolarHBondContact O-N 3.2Å; E298-L301 PolarHBondContact O-N 3.37Å; E298-N302 WeakPolarHBondContact O-CB 3.46Å; E298-N302 PolarHBondContact O-N 3.12Å; E298-N302 PolarHBondContact O-ND2 3.25Å; E298-N302 PolarHBondContact OE1-ND2 3.4Å; E298-N302 VanDerWaalsContact OE1-ND2 3.11Å; E298-R316 IonicContact OE1-CZ 2.74Å; E298-R316 IonicContact OE1-NH1 3.78Å; E298-R316 PolarHBondContact OE1-NH1 3.48Å; E298-R316 IonicContact OE1-NH2 2.76Å; E298-R316 PolarHBondContact OE1-NH2 3.03Å; E298-R316 IonicContact OE2-CZ 3.51Å; E298-R316 IonicContact OE2-NH1 3.8Å; E298-R316 IonicContact OE2-NH2 3.04Å; E298-R316 PolarHBondContact OE2-NH2 3.42Å
299E87.4Confident76.6Confident32 Ų3271.7 Ų71.715%0.1535%0.353CS..Hα-helixtrans-63-43.5176.8-64.4-175.1170.200111.5K284 V294 D295 K296 N302 F303K284-E299 WeakPolarHBondContact CE-OE1 3.25Å; K284-E299 WeakPolarHBondContact CE-OE2 3.27Å; K284-E299 IonicContact NZ-OE1 2.8Å; K284-E299 PolarHBondContact NZ-OE1 3.01Å; K284-E299 IonicContact NZ-OE2 3.68Å; V294-E299 HydrophobicContact CB-CG 4.48Å; V294-E299 HydrophobicContact CG1-CG 3.69Å; D295-E299 PolarHBondContact O-N 3.14Å; K296-E299 PolarHBondContact O-N 3.03Å; E299-N302 PolarHBondContact O-N 3.26Å; E299-F303 WeakPolarHBondContact O-CB 3.48Å; E299-F303 PolarHBondContact O-N 3.43Å
300A91.3Very high78.9Confident0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-64.8-42.3176.500000112.7L275 I278 K296 K297 F303 L304L275-A300 HydrophobicContact CB-CB 4.21Å; L275-A300 HydrophobicContact CD2-CB 3.9Å; L275-A300 WeakPolarHBondContact O-CB 3.4Å; I278-A300 HydrophobicContact CB-CB 3.93Å; I278-A300 HydrophobicContact CG2-CB 3.94Å; K296-A300 PolarHBondContact O-N 2.95Å; K296-A300 VanDerWaalsContact O-N 3.16Å; K297-A300 PolarHBondContact O-N 3.27Å; A300-F303 WeakPolarHBondContact O-CB 3.49Å; A300-F303 PolarHBondContact O-N 3.34Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.25Å
301L90.6Very high81.2Confident20 Ų2057 Ų5711%0.10528%0.284CS..Hα-helixtrans-63-45175.7-74.4172.9000111.2L275 K297 E298 F303 L304 D305 M319L275-L301 HydrophobicContact CD1-CD1 4.44Å; L275-L301 HydrophobicContact CD1-CD2 3.9Å; L275-L301 HydrophobicContact CD1-CG 4.07Å; L275-L301 HydrophobicContact CD2-CD2 3.74Å; L275-L301 HydrophobicContact CD2-CG 3.97Å; K297-L301 HydrophobicContact CG-CD1 4.33Å; K297-L301 WeakPolarHBondContact O-CG 3.31Å; K297-L301 PolarHBondContact O-N 3.25Å; E298-L301 PolarHBondContact O-N 3.37Å; L301-F303 VanDerWaalsContact C-N 3.28Å; L301-F303 PolarHBondContact O-N 3.28Å; L301-L304 PolarHBondContact O-N 2.94Å; L301-D305 WeakPolarHBondContact O-CB 3.36Å; L301-D305 PolarHBondContact O-N 3.49Å; L301-M319 HydrophobicContact CD2-CE 3.92Å
302N87.9Confident83.4Confident47 Ų4751.4 Ų51.425%0.25125%0.254SS..Hα-helixtrans-63.3-35.4175.9-79.1-61.3000112.3E298 E299 K306E298-N302 WeakPolarHBondContact O-CB 3.46Å; E298-N302 PolarHBondContact O-N 3.12Å; E298-N302 PolarHBondContact O-ND2 3.25Å; E298-N302 PolarHBondContact OE1-ND2 3.4Å; E298-N302 VanDerWaalsContact OE1-ND2 3.11Å; E299-N302 PolarHBondContact O-N 3.26Å; N302-K306 WeakPolarHBondContact O-CB 3.21Å; N302-K306 PolarHBondContact O-N 3.21Å
303F89.5Confident85.1Confident9 Ų946.9 Ų46.94%0.03923%0.234CC..Hα-helixtrans-64.2-51.1174171.7-103.9000111.8H218 K220 L221 I278 E299 A300 L301 D305 V307 A308H218-F303 HydrophobicContact CB-CE2 4.32Å; H218-F303 HydrophobicContact CB-CZ 3.99Å; H218-F303 AromaticContact CG-CE2 3.9Å; H218-F303 AromaticContact CG-CZ 3.99Å; H218-F303 AromaticContact ND1-CE2 3.56Å; K220-F303 HydrophobicContact CB-CE2 4.31Å; L221-F303 HydrophobicContact CD1-CE1 4.08Å; L221-F303 HydrophobicContact CD1-CZ 3.77Å; L221-F303 HydrophobicContact CD2-CD1 4.34Å; L221-F303 HydrophobicContact CD2-CE1 3.9Å; L221-F303 HydrophobicContact CD2-CE2 4.14Å; L221-F303 HydrophobicContact CD2-CZ 3.79Å; L221-F303 HydrophobicContact CG-CE1 4.25Å; L221-F303 HydrophobicContact CG-CE2 4.21Å; L221-F303 HydrophobicContact CG-CZ 3.76Å; I278-F303 HydrophobicContact CG2-CD1 4.03Å; E299-F303 WeakPolarHBondContact O-CB 3.48Å; E299-F303 PolarHBondContact O-N 3.43Å; A300-F303 WeakPolarHBondContact O-CB 3.49Å; A300-F303 PolarHBondContact O-N 3.34Å; L301-F303 VanDerWaalsContact C-N 3.28Å; L301-F303 PolarHBondContact O-N 3.28Å; F303-D305 VanDerWaalsContact C-N 3.33Å; F303-D305 PolarHBondContact O-N 2.54Å; F303-V307 HydrophobicContact CD2-CB 3.84Å; F303-V307 HydrophobicContact CD2-CG1 4Å; F303-V307 HydrophobicContact CD2-CG2 4.36Å; F303-V307 HydrophobicContact CE2-CB 4.18Å; F303-V307 HydrophobicContact CE2-CG1 3.94Å; F303-V307 WeakPolarHBondContact O-CA 3.42Å; F303-V307 VanDerWaalsContact O-CB 3.29Å; F303-V307 WeakPolarHBondContact O-CB 3.4Å; F303-V307 PolarHBondContact O-N 3.07Å; F303-A308 HydrophobicContact CD1-CB 4.47Å; F303-A308 HydrophobicContact CE1-CB 3.92Å; F303-A308 HydrophobicContact CE2-CB 4.39Å; F303-A308 HydrophobicContact CZ-CB 3.87Å; F303-A308 PolarHBondContact O-N 3.43Å
304L90.5Very high86.5Confident3 Ų338.6 Ų38.62%0.01620%0.198CC..Hα-helixtrans-67.4-32.8179.9-68.6176.1000112.8V230 A233 M234 L275 I278 A300 L301 M319 K322V230-L304 HydrophobicContact CG1-CD2 4.3Å; A233-L304 HydrophobicContact CB-CD1 3.79Å; M234-L304 HydrophobicContact CE-CD2 4.22Å; L275-L304 HydrophobicContact CD2-CD1 4.1Å; I278-L304 HydrophobicContact CD1-CD1 4.33Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.25Å; L301-L304 PolarHBondContact O-N 2.94Å; L304-M319 HydrophobicContact CB-CE 4.11Å; L304-M319 HydrophobicContact CB-SD 3.9Å; L304-M319 HydrophobicContact CD1-SD 4.24Å; L304-K322 PolarHBondContact O-NZ 2.98Å
305D87.1Confident87.7Confident37 Ų3738 Ų3820%0.19820%0.197CC..Hα-helixtrans-76.1-58.1-179.8-174.828.6000111.8L301 F303 K322L301-D305 WeakPolarHBondContact O-CB 3.36Å; L301-D305 PolarHBondContact O-N 3.49Å; F303-D305 VanDerWaalsContact C-N 3.33Å; F303-D305 PolarHBondContact O-N 2.54Å; D305-K322 PolarHBondContact O-NZ 3.04Å
306K83.1Confident87.8Confident120 Ų12038.8 Ų38.852%0.52219%0.194SC..Hα-helixtrans-99.8-13.2-166.3-61.3180-179.6168.40115.1N302N302-K306 WeakPolarHBondContact O-CB 3.21Å; N302-K306 PolarHBondContact O-N 3.21Å
307V85.5Confident87.8Confident15 Ų1538.8 Ų38.89%0.09121%0.208CC..THydrogen-bonded Turntrans-117.7-61.9-172.3-173.30000111.5H218 K220 F303 F309H218-V307 WeakPolarHBondContact CE1-CG1 3.47Å; K220-V307 HydrophobicContact CD-CG1 3.81Å; K220-V307 HydrophobicContact CD-CG2 4.26Å; K220-V307 HydrophobicContact CG-CG1 4.44Å; F303-V307 HydrophobicContact CD2-CB 3.84Å; F303-V307 HydrophobicContact CD2-CG1 4Å; F303-V307 HydrophobicContact CD2-CG2 4.36Å; F303-V307 HydrophobicContact CE2-CB 4.18Å; F303-V307 HydrophobicContact CE2-CG1 3.94Å; F303-V307 WeakPolarHBondContact O-CA 3.42Å; F303-V307 VanDerWaalsContact O-CB 3.29Å; F303-V307 WeakPolarHBondContact O-CB 3.4Å; F303-V307 PolarHBondContact O-N 3.07Å; V307-F309 PolarHBondContact O-N 3.37Å
308A88.5Confident87.8Confident2 Ų239.1 Ų39.12%0.01721%0.213CC..THydrogen-bonded Turntrans-75.9123.9-178.600000109.7F303 C310F303-A308 HydrophobicContact CD1-CB 4.47Å; F303-A308 HydrophobicContact CE1-CB 3.92Å; F303-A308 HydrophobicContact CE2-CB 4.39Å; F303-A308 HydrophobicContact CZ-CB 3.87Å; F303-A308 PolarHBondContact O-N 3.43Å; A308-C310 PolarHBondContact O-N 3Å
309F90.9Very high88Confident1 Ų136 Ų360%0.00420%0.199CC..THydrogen-bonded Turntrans54.239.7176.5-45.6-67.6000112.7S196 M234 V307 H311 V312 K322 Y325 V326 M329S196-F309 WeakPolarHBondContact OG-CA 3.46Å; M234-F309 HydrophobicContact CE-CD2 4.42Å; V307-F309 PolarHBondContact O-N 3.37Å; F309-H311 PolarHBondContact O-N 3.05Å; F309-V312 HydrophobicContact CB-CG2 4.25Å; F309-V312 PolarHBondContact O-N 3Å; F309-V312 VanDerWaalsContact O-N 3.08Å; F309-K322 VanDerWaalsContact O-CE 3.25Å; F309-K322 WeakPolarHBondContact O-CE 3.41Å; F309-Y325 HydrophobicContact CD1-CD1 4.06Å; F309-Y325 AromaticContact CD1-CE1 3.83Å; F309-Y325 HydrophobicContact CD1-CE1 3.83Å; F309-Y325 HydrophobicContact CE1-CE1 4.35Å; F309-Y325 HydrophobicContact CG-CD1 4.44Å; F309-V326 HydrophobicContact CD2-CG2 3.85Å; F309-V326 HydrophobicContact CE1-CG2 4.47Å; F309-V326 HydrophobicContact CE2-CG2 3.46Å; F309-V326 VanDerWaalsContact CE2-CG2 3.46Å; F309-V326 HydrophobicContact CG-CG2 4.49Å; F309-V326 HydrophobicContact CZ-CG2 3.81Å; F309-M329 HydrophobicContact CD1-SD 4.22Å; F309-M329 HydrophobicContact CE1-CE 4.04Å; F309-M329 HydrophobicContact CE1-SD 3.44Å; F309-M329 WeakPolarHBondContact CE1-SD 3.08Å; F309-M329 HydrophobicContact CZ-SD 4Å
310C88.4Confident88.2Confident19 Ų1937.5 Ų37.513%0.12820%0.203CC..THydrogen-bonded Turntrans-65.1-11.8-17262.70000114.7S196 T198 G201 A308S196-C310 WeakPolarHBondContact CB-SG 3.44Å; T198-C310 WeakPolarHBondContact CG2-O 3.37Å; G201-C310 PolarHBondContact O-SG 2.97Å; A308-C310 PolarHBondContact O-N 3Å
311H90.9Very high88.4Confident20 Ų2039.2 Ų39.29%0.09321%0.209CC..THydrogen-bonded Turntrans-82.1-20.117670.2-71.1000113.2N178 S196 T198 F309 Y325 G536N178-H311 HydrophobicContact CB-CB 4.22Å; N178-H311 WeakPolarHBondContact OD1-CB 3.39Å; S196-H311 VanDerWaalsContact CB-ND1 3.32Å; S196-H311 WeakPolarHBondContact CB-ND1 3.43Å; S196-H311 PolarHBondContact OG-CE1 3.26Å; S196-H311 PolarHBondContact OG-ND1 2.92Å; T198-H311 HydrophobicContact CG2-CB 4.11Å; F309-H311 PolarHBondContact O-N 3.05Å; H311-Y325 AromaticContact CE1-CE1 3.77Å; H311-Y325 AromaticContact CE1-CZ 3.58Å; H311-Y325 AromaticContact NE2-CE1 4Å; H311-Y325 AromaticContact NE2-CE2 3.66Å; H311-Y325 AromaticContact NE2-CZ 3.38Å; H311-Y325 PolarHBondContact NE2-OH 2.85Å; H311-G536 PolarHBondContact NE2-O 2.87Å
312V92.2Very high88.5Confident4 Ų438.3 Ų38.32%0.02421%0.205CC..SBendtrans-78.8125178.2-179.20000109.2F309 S314 R321 K322 Y325 D537F309-V312 HydrophobicContact CB-CG2 4.25Å; F309-V312 PolarHBondContact O-N 3Å; F309-V312 VanDerWaalsContact O-N 3.08Å; V312-S314 PolarHBondContact O-N 3.25Å; V312-R321 HydrophobicContact CG1-CB 4.32Å; V312-R321 HydrophobicContact CG1-CG 3.85Å; V312-K322 HydrophobicContact CB-CG 3.78Å; V312-K322 HydrophobicContact CG1-CB 4.44Å; V312-K322 HydrophobicContact CG1-CG 3.71Å; V312-Y325 HydrophobicContact CG2-CD1 3.87Å; V312-Y325 HydrophobicContact CG2-CD2 3.9Å; V312-Y325 HydrophobicContact CG2-CE1 4.29Å; V312-Y325 HydrophobicContact CG2-CE2 4.3Å; V312-Y325 HydrophobicContact CG2-CG 3.66Å; V312-D537 WeakPolarHBondContact CA-OD1 3.5Å; V312-D537 WeakPolarHBondContact CG1-OD1 3.45Å
313S85.8Confident88.8Confident53 Ų5336.1 Ų36.137%0.37119%0.193SC..  trans-70.996.8-176.858.90000111.4R321 D537S313-R321 WeakPolarHBondContact O-CD 3.42Å; S313-R321 PolarHBondContact O-NH1 3.07Å; S313-R321 WeakPolarHBondContact OG-CD 3.19Å; S313-R321 PolarHBondContact OG-NH1 3.37Å; S313-D537 WeakPolarHBondContact CB-OD2 2.99Å; S313-D537 PolarHBondContact N-OD1 2.64Å; S313-D537 PolarHBondContact N-OD2 2.95Å; S313-D537 PolarHBondContact OG-OD2 3.05Å
314S84.5Confident89.1Confident26 Ų2635.9 Ų35.918%0.18219%0.192CC..  trans-128.6146.4176680000111V312 K322V312-S314 PolarHBondContact O-N 3.25Å; S314-K322 WeakPolarHBondContact OG-CD 3.5Å; S314-K322 WeakPolarHBondContact OG-CE 3.3Å; S314-K322 PolarHBondContact OG-NZ 2.78Å
315S84.7Confident89.3Confident55 Ų5535.8 Ų35.839%0.38519%0.191SC..  trans-83.7157.8166.6720000110S317 D318S315-S317 PolarHBondContact O-N 3.12Å; S315-S317 PolarHBondContact OG-OG 3.06Å; S315-D318 PolarHBondContact N-O 3.01Å; S315-D318 CarbonylContact O-C 3.23Å; S315-D318 VanDerWaalsContact O-C 3.29Å; S315-D318 PolarHBondContact O-N 2.78Å; S315-D318 WeakPolarHBondContact OG-CB 3.43Å; S315-D318 PolarHBondContact OG-N 3.22Å; S315-D318 PolarHBondContact OG-O 3.33Å
316R82.9Confident89.7Confident101 Ų10134 Ų3438%0.38118%0.182SC..SBendtrans-62.3-26.6174.6-174.7174.9167.8162.31.2113E298E298-R316 IonicContact OE1-CZ 2.74Å; E298-R316 IonicContact OE1-NH1 3.78Å; E298-R316 PolarHBondContact OE1-NH1 3.48Å; E298-R316 IonicContact OE1-NH2 2.76Å; E298-R316 PolarHBondContact OE1-NH2 3.03Å; E298-R316 IonicContact OE2-CZ 3.51Å; E298-R316 IonicContact OE2-NH1 3.8Å; E298-R316 IonicContact OE2-NH2 3.04Å; E298-R316 PolarHBondContact OE2-NH2 3.42Å
317S85.1Confident90.2Very high116 Ų11628.3 Ų28.381%0.81116%0.157SC*.SBendtrans-82.6-33.3176.7420000113.3S315S315-S317 PolarHBondContact O-N 3.12Å; S315-S317 PolarHBondContact OG-OG 3.06Å
318D88.9Confident90.6Very high72 Ų7227.6 Ų27.639%0.38515%0.153SC..  trans-129.4104.8-177.7-177.311.7000110.8S315 R320S315-D318 PolarHBondContact N-O 3.01Å; S315-D318 CarbonylContact O-C 3.23Å; S315-D318 VanDerWaalsContact O-C 3.29Å; S315-D318 PolarHBondContact O-N 2.78Å; S315-D318 WeakPolarHBondContact OG-CB 3.43Å; S315-D318 PolarHBondContact OG-N 3.22Å; S315-D318 PolarHBondContact OG-O 3.33Å; D318-R320 WeakPolarHBondContact OD1-CB 3.44Å; D318-R320 PolarHBondContact OD1-N 3.02Å
319M91.9Very high90.9Very high4 Ų427.5 Ų27.52%0.0215%0.152CC..  trans-102.115.7177.8-59.3-175.3-176.300112.4M234 L301 L304 R321 K322 A323M234-M319 HydrophobicContact CB-CB 3.89Å; M234-M319 HydrophobicContact CG-CB 4.08Å; M234-M319 HydrophobicContact CG-SD 4.29Å; L301-M319 HydrophobicContact CD2-CE 3.92Å; L304-M319 HydrophobicContact CB-CE 4.11Å; L304-M319 HydrophobicContact CB-SD 3.9Å; L304-M319 HydrophobicContact CD1-SD 4.24Å; M319-R321 VanDerWaalsContact C-N 3.33Å; M319-R321 PolarHBondContact O-N 3.19Å; M319-K322 WeakPolarHBondContact O-CB 3.34Å; M319-K322 PolarHBondContact O-N 3.19Å; M319-K322 VanDerWaalsContact O-N 3.12Å; M319-A323 PolarHBondContact O-N 3.14Å
320R92.7Very high91.1Very high63 Ų6327.5 Ų27.524%0.23815%0.152CC..Hα-helixtrans-57.2-42.5-178.9-176.2178.7-179.4112.2-4.9112.5E241 D318 K322 A323 V324 L517 F519E241-R320 IonicContact OE1-CZ 3.68Å; E241-R320 IonicContact OE1-NH1 2.82Å; E241-R320 PolarHBondContact OE1-NH1 2.86Å; E241-R320 VanDerWaalsContact OE1-NH1 3.08Å; E241-R320 IonicContact OE1-NH2 3.79Å; D318-R320 WeakPolarHBondContact OD1-CB 3.44Å; D318-R320 PolarHBondContact OD1-N 3.02Å; R320-K322 VanDerWaalsContact C-N 3.33Å; R320-K322 PolarHBondContact O-N 2.97Å; R320-A323 WeakPolarHBondContact O-CA 3.22Å; R320-A323 WeakPolarHBondContact O-CB 3.37Å; R320-A323 PolarHBondContact O-N 3.15Å; R320-A323 VanDerWaalsContact O-N 3.07Å; R320-V324 WeakPolarHBondContact O-CG2 3.41Å; R320-V324 PolarHBondContact O-N 2.96Å; R320-L517 HydrophobicContact CB-CD2 3.85Å; R320-L517 HydrophobicContact CG-CD2 3.96Å; R320-F519 PolarHBondContact NH2-O 3.37Å
321R93.9Very high91.3Very high36 Ų3627 Ų2714%0.13615%0.148CC..Hα-helixtrans-59.5-41.4176.9-168.1172.4-72.9147.7-2.4112.3V312 S313 M319 V324 Y325 D515 V516 L517 V538V312-R321 HydrophobicContact CG1-CB 4.32Å; V312-R321 HydrophobicContact CG1-CG 3.85Å; S313-R321 WeakPolarHBondContact O-CD 3.42Å; S313-R321 PolarHBondContact O-NH1 3.07Å; S313-R321 WeakPolarHBondContact OG-CD 3.19Å; S313-R321 PolarHBondContact OG-NH1 3.37Å; M319-R321 VanDerWaalsContact C-N 3.33Å; M319-R321 PolarHBondContact O-N 3.19Å; R321-V324 PolarHBondContact O-N 2.98Å; R321-Y325 PolarHBondContact O-N 2.81Å; R321-D515 IonicContact CZ-OD1 3.44Å; R321-D515 IonicContact NH2-OD1 2.8Å; R321-D515 PolarHBondContact NH2-OD1 3.1Å; R321-D515 IonicContact NH2-OD2 3.91Å; R321-D515 PolarHBondContact NH2-OD2 3.22Å; R321-V516 HydrophobicContact CG-CG1 4.17Å; R321-L517 HydrophobicContact CB-CD2 4.14Å; R321-V538 WeakPolarHBondContact CD-O 3.37Å; R321-V538 WeakPolarHBondContact CG-O 3.44Å; R321-V538 PolarHBondContact NE-O 3.25Å
322K94.1Very high91.5Very high2 Ų226.4 Ų26.41%0.00915%0.145CC..Hα-helixtrans-63.3-40.8172.7-83.7178.6178.9165.40112.2M234 L304 D305 F309 V312 S314 M319 R320 Y325 V326M234-K322 HydrophobicContact CE-CB 4.13Å; M234-K322 HydrophobicContact SD-CB 4.2Å; L304-K322 PolarHBondContact O-NZ 2.98Å; D305-K322 PolarHBondContact O-NZ 3.04Å; F309-K322 VanDerWaalsContact O-CE 3.25Å; F309-K322 WeakPolarHBondContact O-CE 3.41Å; V312-K322 HydrophobicContact CB-CG 3.78Å; V312-K322 HydrophobicContact CG1-CB 4.44Å; V312-K322 HydrophobicContact CG1-CG 3.71Å; S314-K322 WeakPolarHBondContact OG-CD 3.5Å; S314-K322 WeakPolarHBondContact OG-CE 3.3Å; S314-K322 PolarHBondContact OG-NZ 2.78Å; M319-K322 WeakPolarHBondContact O-CB 3.34Å; M319-K322 PolarHBondContact O-N 3.19Å; M319-K322 VanDerWaalsContact O-N 3.12Å; R320-K322 VanDerWaalsContact C-N 3.33Å; R320-K322 PolarHBondContact O-N 2.97Å; K322-Y325 PolarHBondContact O-N 3.07Å; K322-V326 WeakPolarHBondContact O-CG2 3.37Å; K322-V326 PolarHBondContact O-N 3.37Å
323A94.4Very high91.6Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-63.1-43.2175.600000111.7F231 M234 I236 L245 M319 R320 Y325 V326 G327F231-A323 HydrophobicContact CD1-CB 3.95Å; F231-A323 HydrophobicContact CE1-CB 4.03Å; F231-A323 VanDerWaalsContact CE1-O 3.31Å; F231-A323 WeakPolarHBondContact CE1-O 3.4Å; M234-A323 HydrophobicContact CB-CB 4.37Å; M234-A323 HydrophobicContact SD-CB 3.91Å; I236-A323 HydrophobicContact CD1-CB 3.42Å; I236-A323 VanDerWaalsContact CD1-CB 3.42Å; I236-A323 HydrophobicContact CG1-CB 4.21Å; L245-A323 HydrophobicContact CD1-CB 4.34Å; M319-A323 PolarHBondContact O-N 3.14Å; R320-A323 WeakPolarHBondContact O-CA 3.22Å; R320-A323 WeakPolarHBondContact O-CB 3.37Å; R320-A323 PolarHBondContact O-N 3.15Å; R320-A323 VanDerWaalsContact O-N 3.07Å; A323-Y325 VanDerWaalsContact C-N 3.34Å; A323-Y325 PolarHBondContact O-N 3.07Å; A323-V326 PolarHBondContact O-N 3.37Å; A323-G327 PolarHBondContact O-N 3.21Å
324V94.3Very high92Very high4 Ų423.8 Ų23.82%0.02413%0.127CC..Hα-helixtrans-60.1-44.8174.2177.70000111.1L245 R320 R321 V326 G327 L328 V516 Y531 V538L245-V324 HydrophobicContact CD2-CG2 3.87Å; R320-V324 WeakPolarHBondContact O-CG2 3.41Å; R320-V324 PolarHBondContact O-N 2.96Å; R321-V324 PolarHBondContact O-N 2.98Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 2.88Å; V324-G327 PolarHBondContact O-N 3.31Å; V324-L328 PolarHBondContact O-N 3.14Å; V324-V516 HydrophobicContact CB-CG2 4.5Å; V324-V516 HydrophobicContact CG1-CG2 3.86Å; V324-V516 HydrophobicContact CG2-CG2 4.35Å; V324-Y531 HydrophobicContact CG1-CE1 4.05Å; V324-V538 HydrophobicContact CG1-CG1 4.36Å
325Y95.1Very high92.3Very high1 Ų123.1 Ų23.10%0.00412%0.121CC..Hα-helixtrans-58.8-44.1176.2-176.1-95.3000112.4M180 V194 F309 H311 V312 R321 K322 A323 L328 M329 G536 V538M180-Y325 HydrophobicContact CE-CD1 4.28Å; M180-Y325 HydrophobicContact CE-CD2 3.33Å; M180-Y325 HydrophobicContact CE-CE1 4.05Å; M180-Y325 HydrophobicContact CE-CE2 3.06Å; M180-Y325 HydrophobicContact CE-CG 3.96Å; M180-Y325 VanDerWaalsContact CE-CZ 3.46Å; M180-Y325 HydrophobicContact CG-CE1 4.48Å; M180-Y325 HydrophobicContact CG-CE2 4.2Å; M180-Y325 VanDerWaalsContact CG-OH 3.3Å; M180-Y325 WeakPolarHBondContact CG-OH 3.29Å; M180-Y325 HydrophobicContact SD-CE2 4.47Å; V194-Y325 WeakPolarHBondContact CG1-OH 3.32Å; V194-Y325 HydrophobicContact CG2-CE1 4.06Å; V194-Y325 WeakPolarHBondContact CG2-OH 3.33Å; F309-Y325 HydrophobicContact CD1-CD1 4.06Å; F309-Y325 AromaticContact CD1-CE1 3.83Å; F309-Y325 HydrophobicContact CD1-CE1 3.83Å; F309-Y325 HydrophobicContact CE1-CE1 4.35Å; F309-Y325 HydrophobicContact CG-CD1 4.44Å; H311-Y325 AromaticContact CE1-CE1 3.77Å; H311-Y325 AromaticContact CE1-CZ 3.58Å; H311-Y325 AromaticContact NE2-CE1 4Å; H311-Y325 AromaticContact NE2-CE2 3.66Å; H311-Y325 AromaticContact NE2-CZ 3.38Å; H311-Y325 PolarHBondContact NE2-OH 2.85Å; V312-Y325 HydrophobicContact CG2-CD1 3.87Å; V312-Y325 HydrophobicContact CG2-CD2 3.9Å; V312-Y325 HydrophobicContact CG2-CE1 4.29Å; V312-Y325 HydrophobicContact CG2-CE2 4.3Å; V312-Y325 HydrophobicContact CG2-CG 3.66Å; R321-Y325 PolarHBondContact O-N 2.81Å; K322-Y325 PolarHBondContact O-N 3.07Å; A323-Y325 VanDerWaalsContact C-N 3.34Å; A323-Y325 PolarHBondContact O-N 3.07Å; Y325-L328 PolarHBondContact O-N 2.89Å; Y325-M329 HydrophobicContact CD1-CG 4.39Å; Y325-M329 HydrophobicContact CD1-SD 4.06Å; Y325-M329 HydrophobicContact CE1-CG 4.15Å; Y325-M329 HydrophobicContact CE1-SD 3.71Å; Y325-M329 WeakPolarHBondContact O-CG 3.47Å; Y325-M329 PolarHBondContact O-N 3.33Å; Y325-G536 WeakPolarHBondContact CE2-O 3.44Å; Y325-V538 HydrophobicContact CD2-CG2 3.66Å; Y325-V538 HydrophobicContact CG-CG2 4.34Å
326V95.3Very high92.7Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-66.2-38.4176.2172.30000111.6L227 F231 M234 F309 K322 A323 V324 L328 M329 V330L227-V326 HydrophobicContact CD1-CG1 3.51Å; F231-V326 HydrophobicContact CE1-CG1 4.45Å; F231-V326 HydrophobicContact CE2-CG1 4.25Å; F231-V326 HydrophobicContact CZ-CB 4.35Å; F231-V326 HydrophobicContact CZ-CG1 3.9Å; M234-V326 HydrophobicContact CE-CG2 4.14Å; F309-V326 HydrophobicContact CD2-CG2 3.85Å; F309-V326 HydrophobicContact CE1-CG2 4.47Å; F309-V326 HydrophobicContact CE2-CG2 3.46Å; F309-V326 VanDerWaalsContact CE2-CG2 3.46Å; F309-V326 HydrophobicContact CG-CG2 4.49Å; F309-V326 HydrophobicContact CZ-CG2 3.81Å; K322-V326 WeakPolarHBondContact O-CG2 3.37Å; K322-V326 PolarHBondContact O-N 3.37Å; A323-V326 PolarHBondContact O-N 3.37Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 PolarHBondContact O-N 2.88Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-M329 WeakPolarHBondContact O-CB 3.34Å; V326-M329 PolarHBondContact O-N 3.02Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.2Å
327G94.2Very high93.2Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-58.8-44.717200000112A323 V324 M329 V330 Q331A323-G327 PolarHBondContact O-N 3.21Å; V324-G327 PolarHBondContact O-N 3.31Å; G327-M329 VanDerWaalsContact C-N 3.34Å; G327-M329 PolarHBondContact O-N 3.1Å; G327-V330 WeakPolarHBondContact O-CB 3.46Å; G327-V330 PolarHBondContact O-N 3.37Å; G327-V330 VanDerWaalsContact O-N 3.14Å; G327-Q331 WeakPolarHBondContact O-CG 3.49Å; G327-Q331 PolarHBondContact O-N 2.78Å
328L93.6Very high93.4Very high1 Ų116.5 Ų16.51%0.0058%0.082CC..Hα-helixtrans-63.3-37.1175.9-174.761000112.2M180 V324 Y325 V326 V330 Q331 R332 Y531 L533M180-L328 HydrophobicContact CE-CB 4.07Å; M180-L328 HydrophobicContact CE-CD2 3.75Å; M180-L328 HydrophobicContact CE-CG 3.9Å; M180-L328 HydrophobicContact SD-CG 4.3Å; V324-L328 PolarHBondContact O-N 3.14Å; Y325-L328 PolarHBondContact O-N 2.89Å; V326-L328 VanDerWaalsContact C-N 3.34Å; L328-V330 VanDerWaalsContact C-N 3.3Å; L328-V330 PolarHBondContact O-N 3.43Å; L328-Q331 PolarHBondContact O-N 2.84Å; L328-R332 WeakPolarHBondContact O-CG 3.36Å; L328-R332 PolarHBondContact O-N 2.97Å; L328-Y531 HydrophobicContact CD1-CD2 4.12Å; L328-Y531 HydrophobicContact CD1-CE2 4.25Å; L328-L533 HydrophobicContact CD2-CD1 4.22Å; L328-L533 HydrophobicContact CD2-CD2 4.24Å
329M95.4Very high93.4Very high0 Ų016.1 Ų16.10%010%0.096CC..Hα-helixtrans-59.6-40.7173.1-70178.769.300112.2M180 C192 V194 V207 F309 Y325 V326 G327 R332 I333M180-M329 HydrophobicContact CE-CG 4Å; M180-M329 HydrophobicContact CG-CG 3.96Å; M180-M329 HydrophobicContact SD-CG 3.75Å; C192-M329 HydrophobicContact CB-CB 4.31Å; C192-M329 HydrophobicContact CB-CE 3.88Å; C192-M329 WeakPolarHBondContact O-CE 3.43Å; V194-M329 HydrophobicContact CG2-CE 3.75Å; V194-M329 HydrophobicContact CG2-SD 3.99Å; V207-M329 HydrophobicContact CB-CE 4.11Å; V207-M329 HydrophobicContact CG2-CB 4.37Å; V207-M329 HydrophobicContact CG2-CE 3.6Å; V207-M329 HydrophobicContact CG2-SD 4.09Å; F309-M329 HydrophobicContact CD1-SD 4.22Å; F309-M329 HydrophobicContact CE1-CE 4.04Å; F309-M329 HydrophobicContact CE1-SD 3.44Å; F309-M329 WeakPolarHBondContact CE1-SD 3.08Å; F309-M329 HydrophobicContact CZ-SD 4Å; Y325-M329 HydrophobicContact CD1-CG 4.39Å; Y325-M329 HydrophobicContact CD1-SD 4.06Å; Y325-M329 HydrophobicContact CE1-CG 4.15Å; Y325-M329 HydrophobicContact CE1-SD 3.71Å; Y325-M329 WeakPolarHBondContact O-CG 3.47Å; Y325-M329 PolarHBondContact O-N 3.33Å; V326-M329 WeakPolarHBondContact O-CB 3.34Å; V326-M329 PolarHBondContact O-N 3.02Å; G327-M329 VanDerWaalsContact C-N 3.34Å; G327-M329 PolarHBondContact O-N 3.1Å; M329-R332 PolarHBondContact O-N 2.72Å; M329-I333 WeakPolarHBondContact O-CG1 3.27Å; M329-I333 PolarHBondContact O-N 2.99Å
330V95.2Very high93.2Very high0 Ų020.7 Ų20.70%012%0.117CC..Hα-helixtrans-69.6-44.6178.9176.10000110.6V207 F214 L227 M246 V326 G327 L328 R332 I333 I334V207-V330 HydrophobicContact CG1-CG2 4.04Å; F214-V330 HydrophobicContact CD1-CG1 4.3Å; F214-V330 HydrophobicContact CD1-CG2 4.49Å; F214-V330 HydrophobicContact CD2-CG1 4.4Å; F214-V330 HydrophobicContact CE1-CG1 4.02Å; F214-V330 HydrophobicContact CE2-CG1 4.15Å; F214-V330 HydrophobicContact CG-CG1 4.48Å; F214-V330 HydrophobicContact CZ-CG1 3.95Å; L227-V330 HydrophobicContact CD1-CG2 4.47Å; L227-V330 HydrophobicContact CD2-CG2 3.42Å; L227-V330 VanDerWaalsContact CD2-CG2 3.42Å; M246-V330 HydrophobicContact CB-CG1 4.3Å; M246-V330 HydrophobicContact CG-CB 4.43Å; M246-V330 HydrophobicContact CG-CG1 4.14Å; M246-V330 HydrophobicContact SD-CG1 4.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.34Å; V326-V330 PolarHBondContact O-N 3.2Å; G327-V330 WeakPolarHBondContact O-CB 3.46Å; G327-V330 PolarHBondContact O-N 3.37Å; G327-V330 VanDerWaalsContact O-N 3.14Å; L328-V330 VanDerWaalsContact C-N 3.3Å; L328-V330 PolarHBondContact O-N 3.43Å; V330-R332 VanDerWaalsContact C-N 3.25Å; V330-R332 PolarHBondContact O-N 2.82Å; V330-I333 PolarHBondContact O-N 2.84Å; V330-I333 VanDerWaalsContact O-N 3.11Å; V330-I334 HydrophobicContact CG1-CD1 3.84Å; V330-I334 HydrophobicContact CG1-CG1 4.48Å; V330-I334 WeakPolarHBondContact O-CG1 3.23Å; V330-I334 PolarHBondContact O-N 2.92Å
331Q92.9Very high93Very high8 Ų818.5 Ų18.54%0.03711%0.111CC..Hα-helixtrans-54.2-44.2174.3-72.7177.16.800111.3L245 M246 Y252 G327 L328 I333 I334 Q335L245-Q331 PolarHBondContact O-NE2 2.76Å; M246-Q331 WeakPolarHBondContact O-CG 2.93Å; Y252-Q331 HydrophobicContact CD1-CG 4.46Å; Y252-Q331 HydrophobicContact CE1-CB 4.19Å; Y252-Q331 HydrophobicContact CE1-CG 4.23Å; G327-Q331 WeakPolarHBondContact O-CG 3.49Å; G327-Q331 PolarHBondContact O-N 2.78Å; L328-Q331 PolarHBondContact O-N 2.84Å; Q331-I333 PolarHBondContact O-N 2.77Å; Q331-I334 PolarHBondContact O-N 3.41Å; Q331-Q335 WeakPolarHBondContact O-CB 3.39Å; Q331-Q335 VanDerWaalsContact O-CG 3.23Å; Q331-Q335 WeakPolarHBondContact O-CG 3.34Å; Q331-Q335 PolarHBondContact O-N 3.45Å
332R93.6Very high92.9Very high9 Ų921.7 Ų21.73%0.03414%0.139CC..Hα-helixtrans-65.9-36.2178.5-70-16772.1-148.1-9.2113.3M180 V182 L328 M329 V330 A336 D344 H573M180-R332 PolarHBondContact O-NH1 2.99Å; V182-R332 HydrophobicContact CG2-CB 3.71Å; L328-R332 WeakPolarHBondContact O-CG 3.36Å; L328-R332 PolarHBondContact O-N 2.97Å; M329-R332 PolarHBondContact O-N 2.72Å; V330-R332 VanDerWaalsContact C-N 3.25Å; V330-R332 PolarHBondContact O-N 2.82Å; R332-A336 PolarHBondContact O-N 3.32Å; R332-A336 VanDerWaalsContact O-N 3.12Å; R332-D344 IonicContact CZ-OD2 3.28Å; R332-D344 IonicContact NH1-OD2 3.54Å; R332-D344 VanDerWaalsContact NH2-CG 3.28Å; R332-D344 IonicContact NH2-OD1 3.23Å; R332-D344 PolarHBondContact NH2-OD1 3.31Å; R332-D344 IonicContact NH2-OD2 2.63Å; R332-D344 PolarHBondContact NH2-OD2 3.35Å; R332-H573 PolarHBondContact NE-CE1 3.4Å; R332-H573 PolarHBondContact NH2-CE1 2.66Å; R332-H573 PolarHBondContact NH2-NE2 3.36Å
333I95.1Very high92.8Very high0 Ų025.4 Ų25.40%015%0.153CC..Hα-helixtrans-61.7-49.7173.2-67.5166.4000109.9V182 V190 C192 V207 H209 F214 M329 V330 Q331 Q335 A336 E337V182-I333 HydrophobicContact CG1-CG1 4.4Å; V190-I333 HydrophobicContact CB-CG2 4.4Å; V190-I333 HydrophobicContact CG1-CG2 3.83Å; C192-I333 HydrophobicContact CB-CD1 3.72Å; C192-I333 HydrophobicContact CB-CG1 3.7Å; V207-I333 HydrophobicContact CB-CD1 4.1Å; V207-I333 HydrophobicContact CG1-CD1 3.82Å; V207-I333 WeakPolarHBondContact O-CD1 3.33Å; H209-I333 HydrophobicContact CB-CG2 4.13Å; F214-I333 HydrophobicContact CD1-CD1 4.44Å; F214-I333 HydrophobicContact CE1-CB 4.25Å; F214-I333 HydrophobicContact CE1-CD1 4.1Å; F214-I333 HydrophobicContact CE1-CG2 3.89Å; F214-I333 HydrophobicContact CZ-CG2 4.42Å; M329-I333 WeakPolarHBondContact O-CG1 3.27Å; M329-I333 PolarHBondContact O-N 2.99Å; V330-I333 PolarHBondContact O-N 2.84Å; V330-I333 VanDerWaalsContact O-N 3.11Å; Q331-I333 PolarHBondContact O-N 2.77Å; I333-Q335 PolarHBondContact O-N 3.49Å; I333-A336 PolarHBondContact O-N 2.95Å; I333-A336 VanDerWaalsContact O-N 3.15Å; I333-E337 HydrophobicContact CG2-CG 4.42Å; I333-E337 PolarHBondContact O-N 2.9Å
334I93.6Very high92.7Very high2 Ų226.6 Ų26.61%0.0116%0.159CC..Hα-helixtrans-63.7-40.4-179-65.7170000111.4F214 Y252 P255 Y256 V330 Q331 A336 E337 S338F214-I334 HydrophobicContact CZ-CD1 4.25Å; F214-I334 HydrophobicContact CZ-CG1 3.97Å; Y252-I334 HydrophobicContact CD1-CB 3.99Å; Y252-I334 HydrophobicContact CD1-CD1 3.95Å; Y252-I334 HydrophobicContact CD1-CG2 3.59Å; Y252-I334 HydrophobicContact CD2-CG2 4.34Å; Y252-I334 HydrophobicContact CE1-CB 4.25Å; Y252-I334 HydrophobicContact CE1-CG2 3.97Å; Y252-I334 HydrophobicContact CG-CD1 4.46Å; Y252-I334 HydrophobicContact CG-CG2 3.81Å; P255-I334 HydrophobicContact CB-CD1 4.38Å; P255-I334 HydrophobicContact CB-CG1 4.19Å; P255-I334 HydrophobicContact CG-CG1 4.31Å; P255-I334 HydrophobicContact CG-CG2 4.42Å; Y256-I334 HydrophobicContact CD1-CD1 4.15Å; V330-I334 HydrophobicContact CG1-CD1 3.84Å; V330-I334 HydrophobicContact CG1-CG1 4.48Å; V330-I334 WeakPolarHBondContact O-CG1 3.23Å; V330-I334 PolarHBondContact O-N 2.92Å; Q331-I334 PolarHBondContact O-N 3.41Å; I334-A336 VanDerWaalsContact C-N 3.28Å; I334-A336 PolarHBondContact O-N 3.03Å; I334-E337 PolarHBondContact O-N 2.82Å; I334-S338 VanDerWaalsContact O-CB 3.32Å; I334-S338 WeakPolarHBondContact O-CB 3.43Å; I334-S338 PolarHBondContact O-N 2.96Å; I334-S338 PolarHBondContact O-OG 3.07Å
335Q92.3Very high92.4Very high12 Ų1229.7 Ų29.76%0.05618%0.176CC..Hα-helixtrans-61.3-36.8175.3-76.4169.9-1.300112.3Y252 Q331 I333 S338 G339 Q340 C341Y252-Q335 HydrophobicContact CE1-CG 4.22Å; Y252-Q335 WeakPolarHBondContact OH-CG 2.78Å; Y252-Q335 PolarHBondContact OH-NE2 3.48Å; Q331-Q335 WeakPolarHBondContact O-CB 3.39Å; Q331-Q335 VanDerWaalsContact O-CG 3.23Å; Q331-Q335 WeakPolarHBondContact O-CG 3.34Å; Q331-Q335 PolarHBondContact O-N 3.45Å; I333-Q335 PolarHBondContact O-N 3.49Å; Q335-S338 WeakPolarHBondContact CA-OG 3.07Å; Q335-S338 PolarHBondContact O-OG 2.87Å; Q335-G339 PolarHBondContact O-N 2.85Å; Q335-Q340 PolarHBondContact O-N 2.92Å; Q335-C341 HydrophobicContact CB-CB 4.4Å; Q335-C341 PolarHBondContact O-N 2.96Å; Q335-C341 VanDerWaalsContact O-N 3.09Å
336A92.9Very high91.9Very high7 Ų731.8 Ų31.86%0.05819%0.189CC..Hα-helixtrans-72-44.7175.900000111.8V182 R332 I333 I334 S338 G339 C341 Y343V182-A336 HydrophobicContact CG1-CB 3.77Å; R332-A336 PolarHBondContact O-N 3.32Å; R332-A336 VanDerWaalsContact O-N 3.12Å; I333-A336 PolarHBondContact O-N 2.95Å; I333-A336 VanDerWaalsContact O-N 3.15Å; I334-A336 VanDerWaalsContact C-N 3.28Å; I334-A336 PolarHBondContact O-N 3.03Å; A336-S338 VanDerWaalsContact C-N 3.35Å; A336-S338 PolarHBondContact O-N 2.81Å; A336-G339 PolarHBondContact O-N 3.03Å; A336-G339 VanDerWaalsContact O-N 3.11Å; A336-C341 WeakPolarHBondContact CA-O 3.49Å; A336-Y343 HydrophobicContact CB-CD1 3.88Å; A336-Y343 HydrophobicContact CB-CE1 3.78Å
337E91.6Very high91.4Very high71 Ų7132.8 Ų32.833%0.33220%0.195SC..Hα-helixtrans-65.7-35.7178.8-72.7-176.1149.100113.1V190 H209 I333 I334 G339V190-E337 HydrophobicContact CB-CG 4.18Å; V190-E337 HydrophobicContact CG1-CG 4.22Å; V190-E337 HydrophobicContact CG2-CG 3.93Å; H209-E337 IonicContact CE1-OE1 3.37Å; H209-E337 IonicContact CE1-OE2 3.69Å; H209-E337 PolarHBondContact CE1-OE2 3.49Å; H209-E337 IonicContact CG-OE1 3.78Å; H209-E337 IonicContact CG-OE2 2.8Å; H209-E337 IonicContact ND1-OE1 3.69Å; H209-E337 PolarHBondContact ND1-OE1 3.21Å; H209-E337 IonicContact ND1-OE2 3.22Å; H209-E337 PolarHBondContact ND1-OE2 2.85Å; I333-E337 HydrophobicContact CG2-CG 4.42Å; I333-E337 PolarHBondContact O-N 2.9Å; I334-E337 PolarHBondContact O-N 2.82Å; E337-G339 PolarHBondContact O-N 2.99Å
338S89.6Confident91.2Very high55 Ų5534.7 Ų34.739%0.38520%0.203SC..THydrogen-bonded Turntrans-75.5-4.617558.30000113.9I334 Q335 A336 Q340I334-S338 VanDerWaalsContact O-CB 3.32Å; I334-S338 WeakPolarHBondContact O-CB 3.43Å; I334-S338 PolarHBondContact O-N 2.96Å; I334-S338 PolarHBondContact O-OG 3.07Å; Q335-S338 WeakPolarHBondContact CA-OG 3.07Å; Q335-S338 PolarHBondContact O-OG 2.87Å; A336-S338 VanDerWaalsContact C-N 3.35Å; A336-S338 PolarHBondContact O-N 2.81Å; S338-Q340 VanDerWaalsContact C-N 3.26Å; S338-Q340 PolarHBondContact O-N 3.34Å; S338-Q340 WeakPolarHBondContact OG-CG 2.95Å
339G88.9Confident91Very high64 Ų6435.2 Ų35.266%0.6621%0.205SC*.THydrogen-bonded Turntrans73.611.1-178.600000114.7Q335 A336 E337 C341Q335-G339 PolarHBondContact O-N 2.85Å; A336-G339 PolarHBondContact O-N 3.03Å; A336-G339 VanDerWaalsContact O-N 3.11Å; E337-G339 PolarHBondContact O-N 2.99Å; G339-C341 VanDerWaalsContact C-N 3.33Å
340Q87.4Confident90.8Very high100 Ų10035.5 Ų35.547%0.46721%0.209SC..SBendtrans-69.8-33.4174.2-65.7-179.59.400111.7Q335 S338Q335-Q340 PolarHBondContact O-N 2.92Å; S338-Q340 VanDerWaalsContact C-N 3.26Å; S338-Q340 PolarHBondContact O-N 3.34Å; S338-Q340 WeakPolarHBondContact OG-CG 2.95Å
341C89.9Confident90.6Very high16 Ų1635.8 Ų35.811%0.10821%0.21CC..SBendtrans-126.9148.8176-66.90000109.9Q335 A336 G339 P572 H573Q335-C341 HydrophobicContact CB-CB 4.4Å; Q335-C341 PolarHBondContact O-N 2.96Å; Q335-C341 VanDerWaalsContact O-N 3.09Å; A336-C341 WeakPolarHBondContact CA-O 3.49Å; G339-C341 VanDerWaalsContact C-N 3.33Å; C341-P572 WeakPolarHBondContact SG-CB 3.14Å; C341-H573 VanDerWaalsContact SG-CD2 3.59Å
342S91.2Very high90.5Very high103 Ų10336.7 Ų36.772%0.7221%0.214SC*.PPolyproline II helixtrans-73.4154.3167.4570000110.5
343Y92.4Very high90.4Very high81 Ų8137 Ų3732%0.31822%0.215SC..PPolyproline II helixtrans-56.6149.4165.3-59.4-71.7000110.9V182 Q184 V190 A336V182-Y343 HydrophobicContact CG1-CD1 4.18Å; Q184-Y343 HydrophobicContact CB-CD1 4.38Å; Q184-Y343 HydrophobicContact CB-CE1 4.24Å; V190-Y343 HydrophobicContact CG1-CD1 4.48Å; V190-Y343 HydrophobicContact CG1-CE1 3.78Å; V190-Y343 HydrophobicContact CG2-CE1 3.9Å; A336-Y343 HydrophobicContact CB-CD1 3.88Å; A336-Y343 HydrophobicContact CB-CE1 3.78Å
344D91.9Very high90.2Very high24 Ų2437.2 Ų37.213%0.12822%0.217CC..PPolyproline II helixtrans-73.4130.9178.8-70.3-47.9000109.9F181 V182 L183 R332 P346F181-D344 WeakPolarHBondContact CA-OD2 3.17Å; F181-D344 HydrophobicContact CD1-CB 4.23Å; V182-D344 PolarHBondContact N-OD2 2.8Å; V182-D344 PolarHBondContact O-N 3.15Å; L183-D344 WeakPolarHBondContact CD2-O 3.25Å; R332-D344 IonicContact CZ-OD2 3.28Å; R332-D344 IonicContact NH1-OD2 3.54Å; R332-D344 VanDerWaalsContact NH2-CG 3.28Å; R332-D344 IonicContact NH2-OD1 3.23Å; R332-D344 PolarHBondContact NH2-OD1 3.31Å; R332-D344 IonicContact NH2-OD2 2.63Å; R332-D344 PolarHBondContact NH2-OD2 3.35Å; D344-P346 WeakPolarHBondContact O-CD 3.44Å
345D87.9Confident90.1Very high70 Ų7037.7 Ų37.737%0.37422%0.219SC..  trans-83.8114.9172-177.84.8000109.8D347 F348 N351 Q465D345-D347 PolarHBondContact O-N 2.96Å; D345-D347 WeakPolarHBondContact OD1-CB 3.13Å; D345-D347 PolarHBondContact OD1-N 2.73Å; D345-F348 HydrophobicContact CB-CB 4.23Å; D345-F348 WeakPolarHBondContact O-CB 3.46Å; D345-F348 PolarHBondContact O-N 2.84Å; D345-N351 PolarHBondContact O-ND2 2.82Å; D345-Q465 PolarHBondContact OD2-NE2 3.36Å
346P84.8Confident90.1Very high44 Ų4437.6 Ų37.629%0.28622%0.219SC..THydrogen-bonded Turntrans-65.6-21.3175.927.3-33.4000112.5L183 D344 K352L183-P346 HydrophobicContact CD2-CG 4.4Å; D344-P346 WeakPolarHBondContact O-CD 3.44Å; P346-K352 WeakPolarHBondContact O-CE 3.28Å
347D84.8Confident90.1Very high22 Ų2237.3 Ų37.312%0.11822%0.216CC..THydrogen-bonded Turntrans-80.7-19.1179.4-77-36.4000113.2D345 Y349 K352 Y452 Q465D345-D347 PolarHBondContact O-N 2.96Å; D345-D347 WeakPolarHBondContact OD1-CB 3.13Å; D345-D347 PolarHBondContact OD1-N 2.73Å; D347-Y349 PolarHBondContact O-N 3.45Å; D347-K352 WeakPolarHBondContact O-CD 3.15Å; D347-K352 WeakPolarHBondContact O-CE 3.42Å; D347-K352 PolarHBondContact O-NZ 2.91Å; D347-K352 IonicContact OD1-NZ 3.96Å; D347-K352 PolarHBondContact OD1-NZ 3.06Å; D347-K352 VanDerWaalsContact OD1-NZ 3.1Å; D347-Y452 PolarHBondContact OD1-OH 3.49Å; D347-Q465 PolarHBondContact O-OE1 3.02Å
348F90.1Very high90.2Very high40 Ų4034 Ų3418%0.17520%0.201CC..SBendtrans-53.7125.9177177.8-109.1000111D345 G350 N351 Q465 S467 V628 N632D345-F348 HydrophobicContact CB-CB 4.23Å; D345-F348 WeakPolarHBondContact O-CB 3.46Å; D345-F348 PolarHBondContact O-N 2.84Å; F348-G350 VanDerWaalsContact CE1-CA 3.49Å; F348-G350 PolarHBondContact O-N 3.22Å; F348-G350 VanDerWaalsContact O-N 3.1Å; F348-N351 HydrophobicContact CB-CB 4.46Å; F348-N351 HydrophobicContact CD1-CB 4.39Å; F348-N351 WeakPolarHBondContact O-CA 3.47Å; F348-N351 VanDerWaalsContact O-CB 3.23Å; F348-N351 WeakPolarHBondContact O-CB 3.4Å; F348-N351 PolarHBondContact O-N 2.88Å; F348-Q465 VanDerWaalsContact N-OE1 3.08Å; F348-S467 VanDerWaalsContact CD2-CB 3.4Å; F348-S467 VanDerWaalsContact CE2-CB 3.43Å; F348-V628 HydrophobicContact CE1-CG1 4.31Å; F348-V628 HydrophobicContact CE2-CG1 4.17Å; F348-V628 HydrophobicContact CZ-CG1 3.75Å; F348-N632 WeakPolarHBondContact CZ-ND2 3.43Å
349Y89.3Confident90.2Very high11 Ų1133.7 Ų33.74%0.04320%0.198CC..G310 helixtrans-65.5-23.5-170.1-126.1-113000114.5E173 D347 N351 K352 M448 S467 C468 V472 V585E173-Y349 WeakPolarHBondContact OE2-CE2 3.49Å; E173-Y349 PolarHBondContact OE2-OH 3.01Å; D347-Y349 PolarHBondContact O-N 3.45Å; Y349-N351 PolarHBondContact O-N 3.43Å; Y349-K352 HydrophobicContact CD2-CD 3.88Å; Y349-K352 HydrophobicContact CE2-CD 4.02Å; Y349-K352 PolarHBondContact O-N 2.83Å; Y349-M448 WeakPolarHBondContact OH-CE 3.38Å; Y349-M448 PolarHBondContact OH-SD 3.26Å; Y349-S467 PolarHBondContact N-OG 2.9Å; Y349-S467 VanDerWaalsContact N-OG 3.13Å; Y349-C468 WeakPolarHBondContact CD2-SG 3.31Å; Y349-V472 HydrophobicContact CD1-CG2 4.28Å; Y349-V472 HydrophobicContact CE1-CG2 3.63Å; Y349-V472 HydrophobicContact CE2-CG2 4.18Å; Y349-V585 HydrophobicContact CD1-CB 4.47Å; Y349-V585 HydrophobicContact CD1-CG2 4.23Å; Y349-V585 HydrophobicContact CE1-CG2 3.91Å
350G90.5Very high90.3Very high7 Ų730.9 Ų30.97%0.07217%0.168CC..G310 helixtrans-72.9-12.4172.500000114.1R179 F348 N629R179-G350 PolarHBondContact NH1-O 3.08Å; F348-G350 VanDerWaalsContact CE1-CA 3.49Å; F348-G350 PolarHBondContact O-N 3.22Å; F348-G350 VanDerWaalsContact O-N 3.1Å; G350-N629 PolarHBondContact O-ND2 3.48Å
351N91.6Very high90.6Very high5 Ų526.2 Ų26.23%0.02715%0.146CC..G310 helixtrans-95.5-0.3172.7-71.2-18.9000112.5S176 R179 F181 D345 F348 Y349S176-N351 WeakPolarHBondContact CB-O 2.99Å; S176-N351 PolarHBondContact N-O 2.78Å; S176-N351 PolarHBondContact OG-O 3.31Å; R179-N351 PolarHBondContact NE-OD1 2.9Å; R179-N351 PolarHBondContact NH1-OD1 3.44Å; R179-N351 VanDerWaalsContact NH1-OD1 3.08Å; R179-N351 PolarHBondContact NH2-OD1 2.83Å; F181-N351 HydrophobicContact CE1-CB 3.6Å; F181-N351 HydrophobicContact CZ-CB 4.06Å; D345-N351 PolarHBondContact O-ND2 2.82Å; F348-N351 HydrophobicContact CB-CB 4.46Å; F348-N351 HydrophobicContact CD1-CB 4.39Å; F348-N351 WeakPolarHBondContact O-CA 3.47Å; F348-N351 VanDerWaalsContact O-CB 3.23Å; F348-N351 WeakPolarHBondContact O-CB 3.4Å; F348-N351 PolarHBondContact O-N 2.88Å; Y349-N351 PolarHBondContact O-N 3.43Å
352K90.1Very high90.8Very high27 Ų2725.9 Ų25.912%0.11715%0.145CC..EExtended strand (participates in β ladder)trans-111.5149.9178.8-71.7163.7162.6-177.70111.2E173 E174 S176 P346 D347 Y349E173-K352 HydrophobicContact CG-CB 4.15Å; E173-K352 HydrophobicContact CG-CD 3.99Å; E173-K352 HydrophobicContact CG-CG 4.19Å; E173-K352 WeakPolarHBondContact OE1-CD 3.28Å; E173-K352 WeakPolarHBondContact OE1-CE 3.18Å; E173-K352 IonicContact OE1-NZ 3.4Å; E173-K352 PolarHBondContact OE1-NZ 3.08Å; E174-K352 CarbonylContact O-C 3.52Å; E174-K352 VanDerWaalsContact O-CA 3.27Å; E174-K352 WeakPolarHBondContact O-CA 3.36Å; S176-K352 PolarHBondContact OG-N 3.48Å; P346-K352 WeakPolarHBondContact O-CE 3.28Å; D347-K352 WeakPolarHBondContact O-CD 3.15Å; D347-K352 WeakPolarHBondContact O-CE 3.42Å; D347-K352 PolarHBondContact O-NZ 2.91Å; D347-K352 IonicContact OD1-NZ 3.96Å; D347-K352 PolarHBondContact OD1-NZ 3.06Å; D347-K352 VanDerWaalsContact OD1-NZ 3.1Å; Y349-K352 HydrophobicContact CD2-CD 3.88Å; Y349-K352 HydrophobicContact CE2-CD 4.02Å; Y349-K352 PolarHBondContact O-N 2.83Å
353Q91.5Very high90.7Very high15 Ų1522.6 Ų22.67%0.0712%0.12CC..EExtended strand (participates in β ladder)trans-129.9144.5174.2-74.8173.5-12.400108.8E174 E581 G583 R584E174-Q353 PolarHBondContact N-O 3.02Å; E174-Q353 PolarHBondContact O-N 3.22Å; Q353-E581 PolarHBondContact NE2-OE2 3.1Å; Q353-G583 CarbonylContact C-O 3.49Å; Q353-G583 WeakPolarHBondContact CA-O 3.4Å; Q353-R584 HydrophobicContact CG-CG 4.39Å
354L92Very high90.6Very high5 Ų519.3 Ų19.33%0.02611%0.108CC..EExtended strand (participates in β ladder)trans-95.1113.4174.5-62.1-179.7000109.4P171 Q172 E173 L356 M448 I489 I495 G583 V585P171-L354 HydrophobicContact CB-CB 4.48Å; Q172-L354 CarbonylContact O-C 3.57Å; Q172-L354 WeakPolarHBondContact O-CA 3.46Å; E173-L354 HydrophobicContact CB-CD2 4.07Å; E173-L354 HydrophobicContact CG-CD2 4.41Å; L354-L356 PolarHBondContact O-N 3.22Å; L354-M448 HydrophobicContact CD1-SD 4.37Å; L354-M448 HydrophobicContact CD2-CB 4.41Å; L354-M448 HydrophobicContact CD2-SD 4.06Å; L354-I489 HydrophobicContact CD1-CD1 3.98Å; L354-I495 HydrophobicContact CD1-CD1 3.82Å; L354-I495 HydrophobicContact CD1-CG1 4.2Å; L354-G583 PolarHBondContact N-O 2.84Å; L354-G583 VanDerWaalsContact O-CA 3.31Å; L354-G583 WeakPolarHBondContact O-CA 3.08Å; L354-V585 HydrophobicContact CD1-CG2 3.65Å; L354-V585 HydrophobicContact CG-CG2 3.99Å
355E91Very high90.7Very high12 Ų1218.1 Ų18.16%0.05610%0.102CC..EExtended strand (participates in β ladder)trans-78.6114.3168.8-70.2-173.2-167.600110.1P171 Q172 E174 R177 L360 R426P171-E355 WeakPolarHBondContact CA-O 3.2Å; Q172-E355 HydrophobicContact CB-CB 4.37Å; Q172-E355 PolarHBondContact N-O 2.93Å; Q172-E355 PolarHBondContact O-N 2.79Å; E174-E355 HydrophobicContact CB-CG 4.38Å; E174-E355 HydrophobicContact CG-CG 4.18Å; R177-E355 IonicContact CZ-OE1 2.7Å; R177-E355 IonicContact NE-OE1 2.68Å; R177-E355 IonicContact NH2-OE1 3.18Å; R177-E355 PolarHBondContact NH2-OE1 3.34Å; R177-E355 IonicContact NH2-OE2 3.89Å; E355-L360 HydrophobicContact CB-CD2 4.27Å; E355-L360 HydrophobicContact CB-CG 4.34Å; E355-L360 WeakPolarHBondContact OE2-CD2 3.34Å; E355-R426 VanDerWaalsContact CD-NH2 3.27Å; E355-R426 IonicContact OE1-NH2 2.97Å; E355-R426 PolarHBondContact OE1-NH2 3.32Å; E355-R426 IonicContact OE2-CZ 3.93Å; E355-R426 VanDerWaalsContact OE2-CZ 3.23Å; E355-R426 IonicContact OE2-NH1 3.65Å; E355-R426 PolarHBondContact OE2-NH1 3.06Å; E355-R426 IonicContact OE2-NH2 2.84Å; E355-R426 PolarHBondContact OE2-NH2 2.87Å
356L92.8Very high90.9Very high11 Ų1115.5 Ų15.56%0.0589%0.087CC..  trans-87.3176.5178.5-56.3-178.9000112.7S38 P171 L354 G358 P359 L360 I495S38-L356 VanDerWaalsContact OG-CB 3.31Å; S38-L356 WeakPolarHBondContact OG-CB 3.4Å; P171-L356 HydrophobicContact CB-CD2 3.99Å; P171-L356 HydrophobicContact CG-CD2 4.26Å; L354-L356 PolarHBondContact O-N 3.22Å; L356-G358 VanDerWaalsContact C-N 3.3Å; L356-G358 PolarHBondContact O-N 3.17Å; L356-P359 WeakPolarHBondContact O-CD 3.37Å; L356-L360 WeakPolarHBondContact O-CD1 3.24Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.25Å; L356-L360 PolarHBondContact O-N 3.39Å; L356-I495 HydrophobicContact CD1-CB 4.2Å; L356-I495 HydrophobicContact CD1-CD1 4.3Å; L356-I495 HydrophobicContact CD1-CG2 3.83Å; L356-I495 HydrophobicContact CD2-CD1 3.43Å; L356-I495 VanDerWaalsContact CD2-CD1 3.43Å; L356-I495 HydrophobicContact CD2-CG2 4.32Å; L356-I495 HydrophobicContact CG-CD1 4.4Å; L356-I495 HydrophobicContact CG-CG2 4.25Å
357A93.2Very high91.1Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-56.4-39.5-178.100000113.6M130 I169 I361M130-A357 HydrophobicContact CE-CB 3.66Å; I169-A357 HydrophobicContact CB-CB 4.13Å; I169-A357 HydrophobicContact CD1-CB 4.09Å; I169-A357 HydrophobicContact CG2-CB 4.28Å; A357-I361 WeakPolarHBondContact O-CB 3.32Å; A357-I361 WeakPolarHBondContact O-CD1 3.46Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 2.85Å
358G93.1Very high91.5Very high1 Ų114 Ų141%0.018%0.076CC..Hα-helixtrans-59.4-63.2-179.600000112.9S38 L356 L360 I361 A362S38-G358 WeakPolarHBondContact O-CA 2.99Å; S38-G358 WeakPolarHBondContact OG-CA 3.5Å; S38-G358 PolarHBondContact OG-N 3.34Å; S38-G358 VanDerWaalsContact OG-N 3.16Å; L356-G358 VanDerWaalsContact C-N 3.3Å; L356-G358 PolarHBondContact O-N 3.17Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.17Å; G358-I361 PolarHBondContact O-N 3.19Å; G358-I361 VanDerWaalsContact O-N 3.17Å; G358-A362 WeakPolarHBondContact O-CB 3.43Å; G358-A362 PolarHBondContact O-N 3.46Å
359P90.8Very high91.6Very high49 Ų4912 Ų1232%0.3187%0.068SC..Hα-helixtrans-55.1-37.7177-29.234.6000114.3S38 L356 A362 V363S38-P359 WeakPolarHBondContact OG-CD 3.48Å; L356-P359 WeakPolarHBondContact O-CD 3.37Å; P359-A362 WeakPolarHBondContact O-CB 3.18Å; P359-A362 PolarHBondContact O-N 3.01Å; P359-V363 WeakPolarHBondContact O-CG2 3.41Å; P359-V363 PolarHBondContact O-N 3.42Å; P359-V363 VanDerWaalsContact O-N 3.12Å
360L90.8Very high91.7Very high5 Ų514.8 Ų14.83%0.0268%0.078CC..Hα-helixtrans-62.5-49.9176.5-69.8170.8000111.4I169 Q172 E355 L356 G358 A362 V363 L364 W417 V429I169-L360 HydrophobicContact CG2-CD1 3.43Å; I169-L360 VanDerWaalsContact CG2-CD1 3.43Å; Q172-L360 HydrophobicContact CG-CD1 4.14Å; E355-L360 HydrophobicContact CB-CD2 4.27Å; E355-L360 HydrophobicContact CB-CG 4.34Å; E355-L360 WeakPolarHBondContact OE2-CD2 3.34Å; L356-L360 WeakPolarHBondContact O-CD1 3.24Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.25Å; L356-L360 PolarHBondContact O-N 3.39Å; G358-L360 VanDerWaalsContact C-N 3.28Å; G358-L360 PolarHBondContact O-N 3.17Å; L360-A362 VanDerWaalsContact C-N 3.29Å; L360-A362 PolarHBondContact O-N 2.87Å; L360-V363 PolarHBondContact O-N 2.86Å; L360-L364 PolarHBondContact O-N 3.24Å; L360-W417 HydrophobicContact CB-CH2 4.32Å; L360-W417 HydrophobicContact CB-CZ3 4.24Å; L360-W417 VanDerWaalsContact O-CZ3 3.24Å; L360-W417 WeakPolarHBondContact O-CZ3 3.43Å; L360-V429 HydrophobicContact CD1-CG1 4.1Å
361I93.7Very high91.8Very high2 Ų220.4 Ų20.41%0.0110%0.097CC..Hα-helixtrans-64.5-36.1177.6-66.1167.7000110.6F39 F42 L127 F160 I169 A357 G358 L364 F365 L408 W417F39-I361 HydrophobicContact CD2-CD1 3.87Å; F39-I361 HydrophobicContact CE2-CD1 3.84Å; F42-I361 HydrophobicContact CD1-CB 4.45Å; F42-I361 HydrophobicContact CD1-CG2 3.97Å; F42-I361 HydrophobicContact CE1-CB 4.34Å; F42-I361 HydrophobicContact CE1-CG2 3.42Å; F42-I361 VanDerWaalsContact CE1-CG2 3.42Å; F42-I361 HydrophobicContact CE2-CG2 4.32Å; F42-I361 HydrophobicContact CZ-CG2 3.63Å; L127-I361 HydrophobicContact CD1-CG2 4.29Å; F160-I361 HydrophobicContact CE1-CD1 4.23Å; F160-I361 HydrophobicContact CE2-CD1 4.34Å; F160-I361 HydrophobicContact CZ-CD1 3.59Å; I169-I361 HydrophobicContact CD1-CD1 3.83Å; I169-I361 HydrophobicContact CD1-CG1 3.97Å; A357-I361 WeakPolarHBondContact O-CB 3.32Å; A357-I361 WeakPolarHBondContact O-CD1 3.46Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 2.85Å; G358-I361 PolarHBondContact O-N 3.19Å; G358-I361 VanDerWaalsContact O-N 3.17Å; I361-L364 PolarHBondContact O-N 3.41Å; I361-F365 VanDerWaalsContact O-CB 3.27Å; I361-F365 WeakPolarHBondContact O-CB 3.45Å; I361-F365 PolarHBondContact O-N 3.1Å; I361-L408 HydrophobicContact CG2-CD2 4.37Å; I361-W417 HydrophobicContact CG1-CH2 3.89Å
362A92.3Very high91.9Very high10 Ų1020.2 Ų20.28%0.08310%0.096CC..Hα-helixtrans-58.4-49.217700000112.2F42 I50 G358 P359 L360 L364 F365 E366F42-A362 HydrophobicContact CD2-CB 3.67Å; F42-A362 HydrophobicContact CE2-CB 4Å; I50-A362 HydrophobicContact CD1-CB 4.05Å; I50-A362 WeakPolarHBondContact CD1-O 3.49Å; G358-A362 WeakPolarHBondContact O-CB 3.43Å; G358-A362 PolarHBondContact O-N 3.46Å; P359-A362 WeakPolarHBondContact O-CB 3.18Å; P359-A362 PolarHBondContact O-N 3.01Å; L360-A362 VanDerWaalsContact C-N 3.29Å; L360-A362 PolarHBondContact O-N 2.87Å; A362-L364 VanDerWaalsContact C-N 3.33Å; A362-L364 PolarHBondContact O-N 3.16Å; A362-F365 PolarHBondContact O-N 2.82Å; A362-E366 WeakPolarHBondContact O-CB 3.38Å; A362-E366 PolarHBondContact O-N 2.7Å
363V89.3Confident92Very high33 Ų3319.7 Ų19.720%0.210%0.095CC..Hα-helixtrans-61.3-42.2178172.40000111.4P359 L360 D367 Y422P359-V363 WeakPolarHBondContact O-CG2 3.41Å; P359-V363 PolarHBondContact O-N 3.42Å; P359-V363 VanDerWaalsContact O-N 3.12Å; L360-V363 PolarHBondContact O-N 2.86Å; V363-D367 PolarHBondContact O-N 3.24Å; V363-Y422 HydrophobicContact CG1-CD2 3.56Å; V363-Y422 HydrophobicContact CG1-CE2 3.77Å
364L91.8Very high91.9Very high12 Ų1226.4 Ų26.46%0.06312%0.124CC..Hα-helixtrans-68.7-43.1177.7178.562.7000112.1L360 I361 A362 E366 D367 L368 L408 A411 W417 V419L360-L364 PolarHBondContact O-N 3.24Å; I361-L364 PolarHBondContact O-N 3.41Å; A362-L364 VanDerWaalsContact C-N 3.33Å; A362-L364 PolarHBondContact O-N 3.16Å; L364-E366 VanDerWaalsContact C-N 3.32Å; L364-E366 PolarHBondContact O-N 2.73Å; L364-D367 PolarHBondContact O-N 2.96Å; L364-L368 HydrophobicContact CD1-CD1 4.14Å; L364-L368 HydrophobicContact CD1-CG 4.21Å; L364-L368 HydrophobicContact CG-CD1 3.95Å; L364-L368 HydrophobicContact CG-CG 4.42Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.25Å; L364-L368 PolarHBondContact O-N 3.01Å; L364-L408 HydrophobicContact CD2-CD2 3.77Å; L364-L408 HydrophobicContact CG-CD2 4.03Å; L364-A411 HydrophobicContact CD2-CB 3.36Å; L364-W417 HydrophobicContact CB-CE3 3.8Å; L364-W417 HydrophobicContact CB-CZ3 3.47Å; L364-W417 VanDerWaalsContact CB-CZ3 3.47Å; L364-W417 HydrophobicContact CD2-CE3 3.73Å; L364-W417 HydrophobicContact CD2-CH2 3.9Å; L364-W417 HydrophobicContact CD2-CZ3 3.37Å; L364-W417 HydrophobicContact CG-CE3 4.26Å; L364-W417 HydrophobicContact CG-CZ3 4.03Å; L364-V419 HydrophobicContact CD1-CG2 4.42Å
365F93.9Very high91.9Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-61.9-41.9178.4-180-98000111F42 I47 I50 V51 I361 A362 D367 L368 F369 I404F42-F365 HydrophobicContact CE2-CB 4.22Å; F42-F365 HydrophobicContact CE2-CG 4.49Å; F42-F365 HydrophobicContact CZ-CB 4.04Å; F42-F365 HydrophobicContact CZ-CG 4.19Å; I47-F365 HydrophobicContact CD1-CE1 4.13Å; I47-F365 HydrophobicContact CD1-CE2 4.32Å; I47-F365 HydrophobicContact CD1-CZ 3.9Å; I47-F365 HydrophobicContact CG1-CD1 4.13Å; I47-F365 HydrophobicContact CG1-CE1 3.56Å; I47-F365 HydrophobicContact CG1-CZ 3.84Å; I50-F365 HydrophobicContact CD1-CD1 4.07Å; I50-F365 HydrophobicContact CG2-CD1 3.97Å; I50-F365 HydrophobicContact CG2-CE1 4.18Å; V51-F365 HydrophobicContact CG2-CE1 4.39Å; I361-F365 VanDerWaalsContact O-CB 3.27Å; I361-F365 WeakPolarHBondContact O-CB 3.45Å; I361-F365 PolarHBondContact O-N 3.1Å; A362-F365 PolarHBondContact O-N 2.82Å; F365-D367 PolarHBondContact O-N 3.16Å; F365-L368 PolarHBondContact O-N 2.81Å; F365-F369 HydrophobicContact CE1-CB 4.38Å; F365-F369 HydrophobicContact CZ-CD2 4.43Å; F365-F369 WeakPolarHBondContact O-CB 3.07Å; F365-F369 PolarHBondContact O-N 3.1Å; F365-I404 HydrophobicContact CD2-CG2 4.49Å; F365-I404 HydrophobicContact CE2-CD1 4.27Å; F365-I404 HydrophobicContact CE2-CG2 4.26Å
366E90.8Very high91.9Very high15 Ų1528.8 Ų28.87%0.0713%0.134CC..Hα-helixtrans-58.7-46.1175.4-174.5-166.4168.600112.1I50 A362 L364 F369 R370 R421 Y422I50-E366 HydrophobicContact CD1-CB 4.43Å; I50-E366 HydrophobicContact CG1-CB 4.47Å; I50-E366 HydrophobicContact CG2-CB 3.84Å; I50-E366 HydrophobicContact CG2-CG 3.97Å; A362-E366 WeakPolarHBondContact O-CB 3.38Å; A362-E366 PolarHBondContact O-N 2.7Å; L364-E366 VanDerWaalsContact C-N 3.32Å; L364-E366 PolarHBondContact O-N 2.73Å; E366-F369 PolarHBondContact O-N 2.98Å; E366-R370 WeakPolarHBondContact O-CG 2.97Å; E366-R370 PolarHBondContact O-N 3.23Å; E366-R370 IonicContact OE1-CZ 3.46Å; E366-R370 IonicContact OE1-NE 3.14Å; E366-R370 PolarHBondContact OE1-NE 2.6Å; E366-R370 IonicContact OE1-NH2 2.85Å; E366-R370 PolarHBondContact OE1-NH2 3.44Å; E366-R421 IonicContact OE1-CZ 3.75Å; E366-R421 IonicContact OE1-NH1 3.76Å; E366-R421 PolarHBondContact OE1-NH1 3.48Å; E366-Y422 PolarHBondContact OE1-OH 2.91Å; E366-Y422 PolarHBondContact OE2-OH 3.43Å
367D90Very high91.7Very high27 Ų2729.1 Ų29.114%0.14414%0.138CC..Hα-helixtrans-63-46.3178-173.169.2000111.7V363 L364 F365 F369 R370 R371 V419V363-D367 PolarHBondContact O-N 3.24Å; L364-D367 PolarHBondContact O-N 2.96Å; F365-D367 PolarHBondContact O-N 3.16Å; D367-F369 VanDerWaalsContact C-N 3.33Å; D367-F369 PolarHBondContact O-N 2.79Å; D367-R370 PolarHBondContact O-N 3.47Å; D367-R371 WeakPolarHBondContact O-CB 3.44Å; D367-R371 PolarHBondContact O-N 2.83Å; D367-V419 HydrophobicContact CB-CG1 3.77Å
368L93.1Very high91.5Very high6 Ų632.1 Ų32.13%0.03116%0.156CC..Hα-helixtrans-63.9-37.7177.6-67.3174.9000112.1L364 F365 R371 L372 I404 L408L364-L368 HydrophobicContact CD1-CD1 4.14Å; L364-L368 HydrophobicContact CD1-CG 4.21Å; L364-L368 HydrophobicContact CG-CD1 3.95Å; L364-L368 HydrophobicContact CG-CG 4.42Å; L364-L368 VanDerWaalsContact O-CG 3.3Å; L364-L368 WeakPolarHBondContact O-CG 3.25Å; L364-L368 PolarHBondContact O-N 3.01Å; F365-L368 PolarHBondContact O-N 2.81Å; L368-R371 PolarHBondContact O-N 3.39Å; L368-L372 WeakPolarHBondContact O-CB 3.31Å; L368-L372 PolarHBondContact O-N 3.45Å; L368-I404 HydrophobicContact CB-CG1 4.45Å; L368-L408 HydrophobicContact CD1-CD2 3.92Å; L368-L408 HydrophobicContact CD1-CG 3.72Å
369F93.1Very high91.2Very high0 Ų034.7 Ų34.70%017%0.169CC..Hα-helixtrans-68.5-41.1177.4-172.9-108.5000111.7V51 N54 Y69 I124 F365 E366 D367 L372 N373V51-F369 HydrophobicContact CB-CE1 4.47Å; V51-F369 HydrophobicContact CB-CZ 4.41Å; V51-F369 HydrophobicContact CG1-CE1 4.47Å; V51-F369 HydrophobicContact CG1-CZ 4.1Å; V51-F369 HydrophobicContact CG2-CE1 4.13Å; V51-F369 HydrophobicContact CG2-CE2 4.18Å; V51-F369 HydrophobicContact CG2-CZ 3.91Å; N54-F369 HydrophobicContact CB-CD1 4.14Å; N54-F369 HydrophobicContact CB-CE1 3.98Å; Y69-F369 HydrophobicContact CD1-CZ 4.33Å; Y69-F369 HydrophobicContact CD2-CE1 4.43Å; Y69-F369 AromaticContact CD2-CZ 3.78Å; Y69-F369 HydrophobicContact CD2-CZ 3.78Å; Y69-F369 HydrophobicContact CE1-CE2 4.33Å; Y69-F369 HydrophobicContact CE1-CZ 4.17Å; Y69-F369 HydrophobicContact CE2-CE1 4.29Å; Y69-F369 HydrophobicContact CE2-CE2 4.36Å; Y69-F369 AromaticContact CE2-CZ 3.58Å; Y69-F369 HydrophobicContact CE2-CZ 3.58Å; Y69-F369 HydrophobicContact CG-CZ 4.16Å; Y69-F369 AromaticContact CZ-CZ 3.79Å; I124-F369 HydrophobicContact CD1-CD2 4.39Å; I124-F369 HydrophobicContact CD1-CE2 4.23Å; F365-F369 HydrophobicContact CE1-CB 4.38Å; F365-F369 HydrophobicContact CZ-CD2 4.43Å; F365-F369 WeakPolarHBondContact O-CB 3.07Å; F365-F369 PolarHBondContact O-N 3.1Å; E366-F369 PolarHBondContact O-N 2.98Å; D367-F369 VanDerWaalsContact C-N 3.33Å; D367-F369 PolarHBondContact O-N 2.79Å; F369-L372 HydrophobicContact CD2-CD2 4.34Å; F369-L372 HydrophobicContact CE2-CD2 4.47Å; F369-L372 WeakPolarHBondContact O-CB 3.37Å; F369-L372 PolarHBondContact O-N 2.81Å; F369-N373 WeakPolarHBondContact CE1-ND2 3.15Å; F369-N373 PolarHBondContact O-N 2.77Å
370R90.7Very high91Very high69 Ų6932.5 Ų32.526%0.2616%0.155SC..Hα-helixtrans-65.4-39.8173.2-72174.6-174.7-115.15.1111.9N54 E366 D367 N373 K374 R421N54-R370 PolarHBondContact OD1-NE 3.09Å; N54-R370 PolarHBondContact OD1-NH1 3.06Å; N54-R370 PolarHBondContact OD1-NH2 2.85Å; E366-R370 WeakPolarHBondContact O-CG 2.97Å; E366-R370 PolarHBondContact O-N 3.23Å; E366-R370 IonicContact OE1-CZ 3.46Å; E366-R370 IonicContact OE1-NE 3.14Å; E366-R370 PolarHBondContact OE1-NE 2.6Å; E366-R370 IonicContact OE1-NH2 2.85Å; E366-R370 PolarHBondContact OE1-NH2 3.44Å; D367-R370 PolarHBondContact O-N 3.47Å; R370-N373 PolarHBondContact O-N 3.13Å; R370-K374 PolarHBondContact O-N 2.88Å; R370-R421 VanDerWaalsContact NH1-CZ 3.26Å; R370-R421 VanDerWaalsContact NH1-NH2 3.18Å; R370-R421 VanDerWaalsContact NH2-NH1 3.16Å; R370-R421 VanDerWaalsContact NH2-NH2 3.1Å
371R91.7Very high90.8Very high125 Ų12533.2 Ų33.247%0.47216%0.159SC..Hα-helixtrans-61.9-45.2173.1179.8177.7-86.5153.7-4.8110.9D367 L368 N373 K374 E375 T403D367-R371 WeakPolarHBondContact O-CB 3.44Å; D367-R371 PolarHBondContact O-N 2.83Å; L368-R371 PolarHBondContact O-N 3.39Å; R371-N373 VanDerWaalsContact C-N 3.33Å; R371-N373 PolarHBondContact O-N 2.97Å; R371-K374 PolarHBondContact O-N 3.46Å; R371-E375 HydrophobicContact CG-CG 4.43Å; R371-E375 WeakPolarHBondContact CG-OE1 3.44Å; R371-E375 WeakPolarHBondContact O-CG 3.42Å; R371-E375 PolarHBondContact O-N 3.43Å; R371-T403 HydrophobicContact CB-CG2 4.44Å; R371-T403 HydrophobicContact CG-CG2 4.01Å
372L93.4Very high90.4Very high0 Ų039.5 Ų39.50%019%0.186CC..Hα-helixtrans-54.5-48.9173.8-174.388.7000110.9I124 L368 F369 K374 E375 L376 I399 P400 I404I124-L372 HydrophobicContact CB-CD2 4.39Å; L368-L372 WeakPolarHBondContact O-CB 3.31Å; L368-L372 PolarHBondContact O-N 3.45Å; F369-L372 HydrophobicContact CD2-CD2 4.34Å; F369-L372 HydrophobicContact CE2-CD2 4.47Å; F369-L372 WeakPolarHBondContact O-CB 3.37Å; F369-L372 PolarHBondContact O-N 2.81Å; L372-K374 VanDerWaalsContact C-N 3.34Å; L372-K374 PolarHBondContact O-N 2.96Å; L372-E375 PolarHBondContact O-N 2.92Å; L372-L376 VanDerWaalsContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 PolarHBondContact O-N 3.26Å; L372-I399 HydrophobicContact CD1-CG2 4.48Å; L372-P400 HydrophobicContact CD1-CB 4.46Å; L372-P400 HydrophobicContact CD1-CG 3.73Å; L372-P400 WeakPolarHBondContact CD1-O 3.14Å; L372-I404 HydrophobicContact CD2-CD1 3.98Å
373N92.3Very high89.8Confident17 Ų1741.6 Ų41.69%0.09120%0.196CC..Hα-helixtrans-62.8-38.4179.1-74.7-17000112.7N54 V57 Y69 F369 R370 R371 S377N54-N373 PolarHBondContact O-ND2 3.12Å; V57-N373 HydrophobicContact CG2-CB 3.87Å; Y69-N373 VanDerWaalsContact CE2-OD1 3.31Å; Y69-N373 WeakPolarHBondContact CE2-OD1 3.48Å; Y69-N373 PolarHBondContact OH-OD1 3.49Å; F369-N373 WeakPolarHBondContact CE1-ND2 3.15Å; F369-N373 PolarHBondContact O-N 2.77Å; R370-N373 PolarHBondContact O-N 3.13Å; R371-N373 VanDerWaalsContact C-N 3.33Å; R371-N373 PolarHBondContact O-N 2.97Å; N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 2.79Å
374K90.2Very high89.2Confident156 Ų15643.4 Ų43.468%0.67820%0.203SC*.Hα-helixtrans-67.7-42.6176-173.1180179.3-178.10112.1R370 R371 L372 T378R370-K374 PolarHBondContact O-N 2.88Å; R371-K374 PolarHBondContact O-N 3.46Å; L372-K374 VanDerWaalsContact C-N 3.34Å; L372-K374 PolarHBondContact O-N 2.96Å; K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 2.96Å
375E92Very high88.5Confident65 Ų6548.5 Ų48.530%0.30423%0.23SC..Hα-helixtrans-63.6-45.8174.8-74.1172.4-171.900110.8R371 L372 T378 I379 P400 T403R371-E375 HydrophobicContact CG-CG 4.43Å; R371-E375 WeakPolarHBondContact CG-OE1 3.44Å; R371-E375 WeakPolarHBondContact O-CG 3.42Å; R371-E375 PolarHBondContact O-N 3.43Å; L372-E375 PolarHBondContact O-N 2.92Å; E375-T378 WeakPolarHBondContact O-CB 3.48Å; E375-T378 PolarHBondContact O-N 3Å; E375-T378 VanDerWaalsContact O-N 3.13Å; E375-I379 VanDerWaalsContact O-CG1 3.3Å; E375-I379 WeakPolarHBondContact O-CG1 3.32Å; E375-I379 PolarHBondContact O-N 3.3Å; E375-P400 HydrophobicContact CB-CG 4.07Å; E375-T403 PolarHBondContact OE2-OG1 2.98Å
376L90.7Very high87.4Confident1 Ų155.1 Ų55.11%0.00526%0.259CS..Hα-helixtrans-59.9-47.6176.8-175.8139.7000111.4V57 L67 L372 T378 I379 V380 I395 I399V57-L376 HydrophobicContact CB-CD2 4.48Å; V57-L376 HydrophobicContact CG1-CD2 3.96Å; L67-L376 HydrophobicContact CD1-CD1 4.09Å; L67-L376 HydrophobicContact CD1-CD2 3.73Å; L372-L376 VanDerWaalsContact O-CB 3.25Å; L372-L376 WeakPolarHBondContact O-CB 3.28Å; L372-L376 PolarHBondContact O-N 3.26Å; L376-T378 VanDerWaalsContact C-N 3.27Å; L376-T378 PolarHBondContact O-N 3.13Å; L376-I379 PolarHBondContact O-N 2.74Å; L376-V380 HydrophobicContact CD2-CG2 4.05Å; L376-V380 HydrophobicContact CG-CG2 4.44Å; L376-V380 WeakPolarHBondContact O-CB 3.46Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.97Å; L376-I395 HydrophobicContact CD1-CG2 4.41Å; L376-I399 HydrophobicContact CD1-CG1 3.78Å
377S88.5Confident85.6Confident19 Ų1963.2 Ų63.213%0.13330%0.296CS..Hα-helixtrans-56.5-41.8173.9166.70000111.7N373 V380 D381N373-S377 WeakPolarHBondContact O-CB 3.3Å; N373-S377 PolarHBondContact O-N 2.79Å; S377-V380 PolarHBondContact O-N 2.87Å; S377-D381 WeakPolarHBondContact O-CB 3.3Å; S377-D381 PolarHBondContact O-N 3.17Å
378T88.9Confident84Confident63 Ų6369.2 Ų69.239%0.38732%0.324SS..Hα-helixtrans-67.7-38.3178.1-53.30000112.4K374 E375 L376 K382K374-T378 PolarHBondContact O-N 3.22Å; K374-T378 PolarHBondContact O-OG1 2.96Å; E375-T378 WeakPolarHBondContact O-CB 3.48Å; E375-T378 PolarHBondContact O-N 3Å; E375-T378 VanDerWaalsContact O-N 3.13Å; L376-T378 VanDerWaalsContact C-N 3.27Å; L376-T378 PolarHBondContact O-N 3.13Å; T378-K382 HydrophobicContact CG2-CD 4.49Å; T378-K382 WeakPolarHBondContact O-CB 2.94Å; T378-K382 VanDerWaalsContact O-CG 3.3Å; T378-K382 WeakPolarHBondContact O-CG 3.34Å; T378-K382 PolarHBondContact O-N 3.36Å
379I88.2Confident82.3Confident55 Ų5578.8 Ų78.828%0.28237%0.365SS..Hα-helixtrans-68.1-44177.1-68.3164.3000110.3E375 L376 K382 N383 C398 P400E375-I379 VanDerWaalsContact O-CG1 3.3Å; E375-I379 WeakPolarHBondContact O-CG1 3.32Å; E375-I379 PolarHBondContact O-N 3.3Å; L376-I379 PolarHBondContact O-N 2.74Å; I379-K382 PolarHBondContact O-N 2.89Å; I379-N383 WeakPolarHBondContact O-CB 3.38Å; I379-N383 PolarHBondContact O-N 3.3Å; I379-N383 PolarHBondContact O-ND2 3.06Å; I379-C398 HydrophobicContact CG2-CB 4.06Å; I379-P400 HydrophobicContact CD1-CG 4.29Å
380V85.5Confident80.1Confident2 Ų285 Ų851%0.01240%0.403CS..Hα-helixtrans-57.8-53.7174.2171.50000109.7F65 L376 S377 K382 N383 M384 F393F65-V380 HydrophobicContact CD1-CG1 3.69Å; F65-V380 HydrophobicContact CD2-CG1 4.45Å; F65-V380 HydrophobicContact CE1-CB 4.31Å; F65-V380 HydrophobicContact CE1-CG1 3.6Å; F65-V380 HydrophobicContact CE1-CG2 3.88Å; F65-V380 HydrophobicContact CE2-CG1 4.36Å; F65-V380 HydrophobicContact CG-CG1 4.11Å; F65-V380 HydrophobicContact CZ-CG1 3.94Å; F65-V380 HydrophobicContact CZ-CG2 3.88Å; L376-V380 HydrophobicContact CD2-CG2 4.05Å; L376-V380 HydrophobicContact CG-CG2 4.44Å; L376-V380 WeakPolarHBondContact O-CB 3.46Å; L376-V380 WeakPolarHBondContact O-CG2 3.49Å; L376-V380 PolarHBondContact O-N 2.97Å; S377-V380 PolarHBondContact O-N 2.87Å; V380-K382 VanDerWaalsContact C-N 3.28Å; V380-K382 PolarHBondContact O-N 2.88Å; V380-N383 PolarHBondContact O-N 3.43Å; V380-M384 HydrophobicContact CG1-CE 4.1Å; V380-M384 HydrophobicContact CG1-CG 4.12Å; V380-M384 VanDerWaalsContact O-CG 3.29Å; V380-M384 WeakPolarHBondContact O-CG 2.89Å; V380-M384 PolarHBondContact O-N 3.22Å; V380-F393 HydrophobicContact CG2-CE1 4.39Å; V380-F393 HydrophobicContact CG2-CZ 3.88Å
381D86.6Confident78.7Confident20 Ų2087 Ų8711%0.10742%0.423CS..Hα-helixtrans-56.8-41.3-179.3-70.9-14.5000111.5S59 K60 I61 S377 L385S59-D381 WeakPolarHBondContact CA-OD1 3.23Å; S59-D381 WeakPolarHBondContact CB-OD1 3.42Å; S59-D381 PolarHBondContact OG-OD1 3.46Å; K60-D381 PolarHBondContact N-OD1 2.94Å; I61-D381 HydrophobicContact CD1-CB 3.73Å; I61-D381 WeakPolarHBondContact CD1-O 2.98Å; I61-D381 HydrophobicContact CG1-CB 4.28Å; S377-D381 WeakPolarHBondContact O-CB 3.3Å; S377-D381 PolarHBondContact O-N 3.17Å; D381-L385 WeakPolarHBondContact O-CG 3.07Å; D381-L385 PolarHBondContact O-N 3.47Å
382K85.3Confident77.3Confident135 Ų13588.9 Ų88.959%0.58744%0.435SS*.Hα-helixtrans-66.5-38175.5-76.4177.1-178.9-178.30113.7T378 I379 V380T378-K382 HydrophobicContact CG2-CD 4.49Å; T378-K382 WeakPolarHBondContact O-CB 2.94Å; T378-K382 VanDerWaalsContact O-CG 3.3Å; T378-K382 WeakPolarHBondContact O-CG 3.34Å; T378-K382 PolarHBondContact O-N 3.36Å; I379-K382 PolarHBondContact O-N 2.89Å; V380-K382 VanDerWaalsContact C-N 3.28Å; V380-K382 PolarHBondContact O-N 2.88Å
383N80.7Confident76.1Confident54 Ų5490.7 Ų90.729%0.28944%0.443SS..Hα-helixtrans-74-34.1179.5-76.2-22.8000111.4I379 V380 L385 K386 F393I379-N383 WeakPolarHBondContact O-CB 3.38Å; I379-N383 PolarHBondContact O-N 3.3Å; I379-N383 PolarHBondContact O-ND2 3.06Å; V380-N383 PolarHBondContact O-N 3.43Å; N383-L385 VanDerWaalsContact C-N 3.3Å; N383-L385 PolarHBondContact O-N 3.28Å; N383-K386 PolarHBondContact O-N 2.88Å; N383-F393 HydrophobicContact CB-CD2 4.24Å; N383-F393 HydrophobicContact CB-CE2 3.9Å
384M75.5Confident75.3Confident70 Ų7091.4 Ų91.435%0.34545%0.446SS..Hα-helixtrans-69.6-26.5174.9-63.7-57.5174.500112.9F65 V380 K386 F393F65-M384 HydrophobicContact CD2-CE 3.83Å; F65-M384 HydrophobicContact CE2-CE 4.23Å; F65-M384 HydrophobicContact CG-CE 4.38Å; V380-M384 HydrophobicContact CG1-CE 4.1Å; V380-M384 HydrophobicContact CG1-CG 4.12Å; V380-M384 VanDerWaalsContact O-CG 3.29Å; V380-M384 WeakPolarHBondContact O-CG 2.89Å; V380-M384 PolarHBondContact O-N 3.22Å; M384-K386 VanDerWaalsContact C-N 3.29Å; M384-F393 HydrophobicContact CE-CD1 4.01Å; M384-F393 HydrophobicContact CE-CE1 4.17Å; M384-F393 HydrophobicContact CE-CG 4.34Å
385L77.6Confident74.8Confident120 Ų12084 Ų8463%0.62841%0.414SS*.THydrogen-bonded Turntrans-73.5-16.7173.4-74.4167.3000113.7I61 D381 N383I61-L385 HydrophobicContact CD1-CD1 3.74Å; I61-L385 HydrophobicContact CD1-CD2 3.91Å; I61-L385 HydrophobicContact CD1-CG 3.58Å; D381-L385 WeakPolarHBondContact O-CG 3.07Å; D381-L385 PolarHBondContact O-N 3.47Å; N383-L385 VanDerWaalsContact C-N 3.3Å; N383-L385 PolarHBondContact O-N 3.28Å
386K70.5Confident74.1Confident139 Ų13982.4 Ų82.460%0.60441%0.412SS*.SBendtrans-83.7121.8177.9-69.3178.4179179.60109.3N383 M384 E388N383-K386 PolarHBondContact O-N 2.88Å; M384-K386 VanDerWaalsContact C-N 3.29Å; K386-E388 PolarHBondContact O-N 2.91Å; K386-E388 VanDerWaalsContact O-N 3.1Å
387E53.2Low73.6Confident184 Ų18490.6 Ų90.686%0.8645%0.45SS*.  trans-69.6-3.3-174-65.2-173.6150.100115.3K389E387-K389 VanDerWaalsContact C-N 3.3Å; E387-K389 PolarHBondContact O-N 3.4Å
388E56.2Low73.3Confident154 Ų15490.7 Ų90.772%0.7245%0.45SS*.  trans-7576.9-177.3-69.2-177169.800112.3K386 T390K386-E388 PolarHBondContact O-N 2.91Å; K386-E388 VanDerWaalsContact O-N 3.1Å; E388-T390 PolarHBondContact O-N 3.37Å
389K58Low73.1Confident206 Ų20688.2 Ų88.290%0.89644%0.435SS*.THydrogen-bonded Turntrans-63-3.6-179.3-70.1176-179.2176.20115.8E387E387-K389 VanDerWaalsContact C-N 3.3Å; E387-K389 PolarHBondContact O-N 3.4Å
390T47.3Very low73.1Confident131 Ų13186.9 Ų86.980%0.80443%0.43SS*.THydrogen-bonded Turntrans-84-23.9-17248.20000113.6E388E388-T390 PolarHBondContact O-N 3.37Å
391T59.8Low73.3Confident111 Ų11191.3 Ų91.368%0.68145%0.449SS*.SBendtrans-92.3125.8177.456.80000111.2F393T391-F393 PolarHBondContact O-N 3.16Å
392K62.3Low73.6Confident164 Ų16498.4 Ų98.471%0.71348%0.479SS*.  trans-68.3103.8178.1-75.4178.6164.1-177.20108.7R112 D394R112-K392 VanDerWaalsContact CZ-CB 3.41Å; R112-K392 VanDerWaalsContact NH2-CE 3.33Å; K392-D394 PolarHBondContact O-N 3.42Å; K392-D394 VanDerWaalsContact O-N 3.12Å
393F69Low73.9Confident39 Ų3993.1 Ų93.117%0.17146%0.458CS..  trans-55.6114.7177.5-178.4-101.8000111.1F65 R112 V380 N383 M384 T391 I395 C398F65-F393 HydrophobicContact CE2-CD1 4.42Å; F65-F393 AromaticContact CE2-CE1 3.9Å; F65-F393 HydrophobicContact CE2-CE1 3.9Å; F65-F393 HydrophobicContact CZ-CE1 4.2Å; R112-F393 WeakPolarHBondContact CD-O 3.43Å; V380-F393 HydrophobicContact CG2-CE1 4.39Å; V380-F393 HydrophobicContact CG2-CZ 3.88Å; N383-F393 HydrophobicContact CB-CD2 4.24Å; N383-F393 HydrophobicContact CB-CE2 3.9Å; M384-F393 HydrophobicContact CE-CD1 4.01Å; M384-F393 HydrophobicContact CE-CE1 4.17Å; M384-F393 HydrophobicContact CE-CG 4.34Å; T391-F393 PolarHBondContact O-N 3.16Å; F393-I395 HydrophobicContact CD1-CG1 4.41Å; F393-I395 HydrophobicContact CE1-CG1 3.77Å; F393-C398 WeakPolarHBondContact CE2-SG 3.36Å; F393-C398 HydrophobicContact CZ-CB 4.42Å
394D76.5Confident74.6Confident32 Ų3290.6 Ų90.617%0.17144%0.444CS..  trans-110.9130.5171.3-160.2-19.4000109.9Y110 R119 K392 A396Y110-D394 PolarHBondContact OH-OD1 3.05Å; R119-D394 IonicContact CZ-OD2 3.6Å; R119-D394 IonicContact NE-OD1 3.92Å; R119-D394 IonicContact NE-OD2 3.81Å; R119-D394 IonicContact NH2-OD2 2.69Å; R119-D394 PolarHBondContact NH2-OD2 3.48Å; K392-D394 PolarHBondContact O-N 3.42Å; K392-D394 VanDerWaalsContact O-N 3.12Å; D394-A396 PolarHBondContact O-N 2.87Å; D394-A396 PolarHBondContact OD1-N 3.11Å; D394-A396 VanDerWaalsContact OD1-N 3.12Å
395I78.7Confident75.5Confident1 Ų188.9 Ų88.91%0.00544%0.438CS..Hα-helixtrans-68.2-29.1179.3-63.2-169.6000110.5F65 L67 Y110 L376 F393 E397 C398 I399F65-I395 HydrophobicContact CE2-CD1 4.05Å; F65-I395 HydrophobicContact CZ-CD1 3.7Å; F65-I395 HydrophobicContact CZ-CG1 4.45Å; L67-I395 HydrophobicContact CB-CD1 4.43Å; L67-I395 HydrophobicContact CD1-CD1 3.83Å; L67-I395 HydrophobicContact CD1-CG2 3.89Å; L67-I395 HydrophobicContact CG-CD1 4.23Å; Y110-I395 HydrophobicContact CD1-CD1 3.64Å; Y110-I395 HydrophobicContact CD1-CG1 4.16Å; Y110-I395 HydrophobicContact CD2-CD1 3.3Å; Y110-I395 HydrophobicContact CD2-CG1 3.7Å; Y110-I395 HydrophobicContact CE1-CB 4.4Å; Y110-I395 HydrophobicContact CE1-CD1 4.23Å; Y110-I395 HydrophobicContact CE1-CG1 4.24Å; Y110-I395 HydrophobicContact CE2-CD1 3.93Å; Y110-I395 HydrophobicContact CE2-CG1 3.78Å; Y110-I395 HydrophobicContact CG-CD1 3.13Å; Y110-I395 HydrophobicContact CG-CG1 3.89Å; L376-I395 HydrophobicContact CD1-CG2 4.41Å; F393-I395 HydrophobicContact CD1-CG1 4.41Å; F393-I395 HydrophobicContact CE1-CG1 3.77Å; I395-E397 PolarHBondContact O-N 3.23Å; I395-E397 VanDerWaalsContact O-N 3.14Å; I395-C398 PolarHBondContact O-N 2.75Å; I395-I399 HydrophobicContact CG2-CD1 4.1Å; I395-I399 HydrophobicContact CG2-CG1 4.06Å; I395-I399 WeakPolarHBondContact O-CG1 3.15Å; I395-I399 PolarHBondContact O-N 2.98Å
396A78.2Confident76.3Confident30 Ų3086.5 Ų86.525%0.24843%0.431CS..Hα-helixtrans-57.6-32.4-176.400000113.6L122 D394L122-A396 HydrophobicContact CD1-CB 3.61Å; D394-A396 PolarHBondContact O-N 2.87Å; D394-A396 PolarHBondContact OD1-N 3.11Å; D394-A396 VanDerWaalsContact OD1-N 3.12Å
397E79.2Confident77.4Confident174 Ų17480.9 Ų80.981%0.81341%0.413SS*.Hα-helixtrans-83.1-23.4177.9-62.7-175.6176.300112.7I395I395-E397 PolarHBondContact O-N 3.23Å; I395-E397 VanDerWaalsContact O-N 3.14Å
398C81.8Confident79.3Confident20 Ų2072.1 Ų72.114%0.13537%0.372CS..Hα-helixtrans-87.8-12.8-174.1-65.70000114I379 F393 I395 P400I379-C398 HydrophobicContact CG2-CB 4.06Å; F393-C398 WeakPolarHBondContact CE2-SG 3.36Å; F393-C398 HydrophobicContact CZ-CB 4.42Å; I395-C398 PolarHBondContact O-N 2.75Å; C398-P400 VanDerWaalsContact O-CD 3.3Å; C398-P400 WeakPolarHBondContact O-CD 3.26Å
399I86.4Confident81.1Confident12 Ų1266.4 Ų66.46%0.06235%0.347CS..  trans-73.3120.2-175.6-68.9172000111.1L122 I124 L372 L376 I395 K401L122-I399 HydrophobicContact CD1-CD1 4.49Å; L122-I399 HydrophobicContact CD2-CD1 3.19Å; L122-I399 HydrophobicContact CG-CD1 3.73Å; I124-I399 HydrophobicContact CB-CG2 4.5Å; I124-I399 HydrophobicContact CG2-CD1 4.4Å; I124-I399 HydrophobicContact CG2-CG2 4.22Å; L372-I399 HydrophobicContact CD1-CG2 4.48Å; L376-I399 HydrophobicContact CD1-CG1 3.78Å; I395-I399 HydrophobicContact CG2-CD1 4.1Å; I395-I399 HydrophobicContact CG2-CG1 4.06Å; I395-I399 WeakPolarHBondContact O-CG1 3.15Å; I395-I399 PolarHBondContact O-N 2.98Å; I399-K401 VanDerWaalsContact C-N 3.35Å; I399-K401 HydrophobicContact CG2-CG 4.32Å; I399-K401 PolarHBondContact O-N 3.4Å
400P87.7Confident82.9Confident27 Ų2762.2 Ų62.218%0.17533%0.332CS..  trans-77.881.1178.126.4-24.8000111.9L372 E375 I379 C398 K402 T403L372-P400 HydrophobicContact CD1-CB 4.46Å; L372-P400 HydrophobicContact CD1-CG 3.73Å; L372-P400 WeakPolarHBondContact CD1-O 3.14Å; E375-P400 HydrophobicContact CB-CG 4.07Å; I379-P400 HydrophobicContact CD1-CG 4.29Å; C398-P400 VanDerWaalsContact O-CD 3.3Å; C398-P400 WeakPolarHBondContact O-CD 3.26Å; P400-K402 PolarHBondContact O-N 2.93Å; P400-T403 PolarHBondContact O-N 2.78Å; P400-T403 VanDerWaalsContact O-N 3.12Å; P400-T403 PolarHBondContact O-OG1 3.06Å
401K88.7Confident85.1Confident95 Ų9556.3 Ų56.341%0.41330%0.297SS..Hα-helixtrans-57.4-24.1-177.7-59.6176.8-172.9173.40114.8P123 I124 I399 T403 T405P123-K401 WeakPolarHBondContact O-CE 3.38Å; I124-K401 WeakPolarHBondContact O-CA 3.47Å; I399-K401 VanDerWaalsContact C-N 3.35Å; I399-K401 HydrophobicContact CG2-CG 4.32Å; I399-K401 PolarHBondContact O-N 3.4Å; K401-T403 VanDerWaalsContact C-N 3.33Å; K401-T405 PolarHBondContact O-OG1 2.6Å
402K92.5Very high86.7Confident169 Ų16951.1 Ų51.174%0.73527%0.265SS*.Hα-helixtrans-70.7-27.8-179.2-68.6-175.6179.6179.40112.4P400 I404 T405 S406P400-K402 PolarHBondContact O-N 2.93Å; K402-I404 PolarHBondContact O-N 2.99Å; K402-T405 PolarHBondContact O-N 3.49Å; K402-S406 WeakPolarHBondContact O-CB 3.43Å; K402-S406 PolarHBondContact O-N 2.86Å; K402-S406 PolarHBondContact O-OG 3.24Å
403T93.5Very high88.2Confident24 Ų2444.6 Ų44.615%0.14724%0.242CC..Hα-helixtrans-63-47.6-173.4-56.90000111.7R371 E375 P400 K401 G407R371-T403 HydrophobicContact CB-CG2 4.44Å; R371-T403 HydrophobicContact CG-CG2 4.01Å; E375-T403 PolarHBondContact OE2-OG1 2.98Å; P400-T403 PolarHBondContact O-N 2.78Å; P400-T403 VanDerWaalsContact O-N 3.12Å; P400-T403 PolarHBondContact O-OG1 3.06Å; K401-T403 VanDerWaalsContact C-N 3.33Å; T403-G407 PolarHBondContact O-N 2.73Å
404I93.9Very high89.3Confident0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-70.3-50.7175.7-67.1176.3000110.9I124 F365 L368 L372 K402 G407 L408I124-I404 HydrophobicContact CB-CD1 4.27Å; I124-I404 HydrophobicContact CD1-CD1 3.71Å; I124-I404 HydrophobicContact CG1-CD1 4.09Å; F365-I404 HydrophobicContact CD2-CG2 4.49Å; F365-I404 HydrophobicContact CE2-CD1 4.27Å; F365-I404 HydrophobicContact CE2-CG2 4.26Å; L368-I404 HydrophobicContact CB-CG1 4.45Å; L372-I404 HydrophobicContact CD2-CD1 3.98Å; K402-I404 PolarHBondContact O-N 2.99Å; I404-G407 PolarHBondContact O-N 3.03Å; I404-L408 HydrophobicContact CG2-CD1 3.67Å; I404-L408 HydrophobicContact CG2-CG 4.46Å; I404-L408 WeakPolarHBondContact O-CG 3.49Å; I404-L408 PolarHBondContact O-N 2.88Å
405T94.4Very high89.9Confident34 Ų3444.2 Ų44.221%0.20924%0.244CC..Hα-helixtrans-61.8-51-172.8-51.30000112.1G125 R126 K401 K402 T409G125-T405 WeakPolarHBondContact CA-OG1 3.49Å; R126-T405 HydrophobicContact CB-CG2 4.02Å; R126-T405 HydrophobicContact CG-CG2 4.5Å; R126-T405 PolarHBondContact N-OG1 2.97Å; K401-T405 PolarHBondContact O-OG1 2.6Å; K402-T405 PolarHBondContact O-N 3.49Å; T405-T409 VanDerWaalsContact O-CB 3.26Å; T405-T409 WeakPolarHBondContact O-CB 3.44Å; T405-T409 PolarHBondContact O-N 3.02Å; T405-T409 VanDerWaalsContact O-N 3.08Å; T405-T409 PolarHBondContact O-OG1 3.21Å
406S94.3Very high90.4Very high70 Ų7047.7 Ų47.749%0.4926%0.262SS..Hα-helixtrans-70.2-37.3180-59.60000111.4K402 M410K402-S406 WeakPolarHBondContact O-CB 3.43Å; K402-S406 PolarHBondContact O-N 2.86Å; K402-S406 PolarHBondContact O-OG 3.24Å; S406-M410 WeakPolarHBondContact O-CB 3.42Å; S406-M410 PolarHBondContact O-N 3.27Å
407G93.2Very high90.8Very high21 Ų2146.5 Ų46.522%0.21625%0.252CS..Hα-helixtrans-60.7-51178.200000112.6T403 I404 A411T403-G407 PolarHBondContact O-N 2.73Å; I404-G407 PolarHBondContact O-N 3.03Å; G407-A411 WeakPolarHBondContact O-CB 3.33Å; G407-A411 PolarHBondContact O-N 3.47Å
408L94Very high91Very high1 Ų142 Ų421%0.00524%0.239CC..Hα-helixtrans-66.2-46.2178.6-68.5169.7000111.9L127 P128 I361 L364 L368 I404 M410 A411 I412L127-L408 HydrophobicContact CD1-CD1 3.68Å; P128-L408 HydrophobicContact CG-CB 4.49Å; I361-L408 HydrophobicContact CG2-CD2 4.37Å; L364-L408 HydrophobicContact CD2-CD2 3.77Å; L364-L408 HydrophobicContact CG-CD2 4.03Å; L368-L408 HydrophobicContact CD1-CD2 3.92Å; L368-L408 HydrophobicContact CD1-CG 3.72Å; I404-L408 HydrophobicContact CG2-CD1 3.67Å; I404-L408 HydrophobicContact CG2-CG 4.46Å; I404-L408 WeakPolarHBondContact O-CG 3.49Å; I404-L408 PolarHBondContact O-N 2.88Å; L408-M410 PolarHBondContact O-N 2.83Å; L408-A411 PolarHBondContact O-N 3.46Å; L408-I412 WeakPolarHBondContact O-CG1 3.08Å; L408-I412 PolarHBondContact O-N 2.91Å; L408-I412 VanDerWaalsContact O-N 3.14Å
409T94.9Very high91Very high33 Ų3341.1 Ų41.120%0.20223%0.233CC..Hα-helixtrans-63-43.6-179.3-54.80000111T99 I162 T405 A413T99-T409 HydrophobicContact CG2-CG2 4.48Å; I162-T409 HydrophobicContact CG2-CG2 3.55Å; T405-T409 VanDerWaalsContact O-CB 3.26Å; T405-T409 WeakPolarHBondContact O-CB 3.44Å; T405-T409 PolarHBondContact O-N 3.02Å; T405-T409 VanDerWaalsContact O-N 3.08Å; T405-T409 PolarHBondContact O-OG1 3.21Å; T409-A413 WeakPolarHBondContact O-CB 3.28Å; T409-A413 PolarHBondContact O-N 3.27Å
410M94.2Very high90.4Very high118 Ų11848.8 Ų48.858%0.58127%0.269SS*.Hα-helixtrans-67.4-43179.4-174.464.975.600111.9S406 L408 I412 A413 T414S406-M410 WeakPolarHBondContact O-CB 3.42Å; S406-M410 PolarHBondContact O-N 3.27Å; L408-M410 PolarHBondContact O-N 2.83Å; M410-I412 PolarHBondContact O-N 3.19Å; M410-A413 PolarHBondContact O-N 2.95Å; M410-T414 HydrophobicContact CG-CG2 4.17Å; M410-T414 WeakPolarHBondContact O-CB 3.45Å; M410-T414 WeakPolarHBondContact O-CG2 3.26Å; M410-T414 PolarHBondContact O-N 3.23Å; M410-T414 PolarHBondContact O-OG1 2.63Å; M410-T414 HydrophobicContact SD-CG2 3.54Å; M410-T414 VanDerWaalsContact SD-CG2 3.54Å
411A93.7Very high89.5Confident7 Ų752.3 Ų52.36%0.05828%0.278CS..Hα-helixtrans-61.6-45.1179.900000111.6L364 G407 L408 G415L364-A411 HydrophobicContact CD2-CB 3.36Å; G407-A411 WeakPolarHBondContact O-CB 3.33Å; G407-A411 PolarHBondContact O-N 3.47Å; L408-A411 PolarHBondContact O-N 3.46Å; A411-G415 WeakPolarHBondContact O-CA 3.43Å; A411-G415 PolarHBondContact O-N 2.8Å
412I94Very high88.5Confident2 Ų249.2 Ų49.21%0.0126%0.264CS..Hα-helixtrans-73.8-34178.3-55.4168.8000110.9P128 I162 R167 L408 M410 W417 T430P128-I412 HydrophobicContact CB-CD1 4.26Å; P128-I412 HydrophobicContact CG-CD1 4.19Å; I162-I412 HydrophobicContact CD1-CB 3.31Å; I162-I412 HydrophobicContact CD1-CD1 4.12Å; I162-I412 HydrophobicContact CD1-CG1 4.31Å; I162-I412 HydrophobicContact CD1-CG2 3.23Å; I162-I412 HydrophobicContact CG1-CG2 4.38Å; R167-I412 HydrophobicContact CB-CG2 4.38Å; R167-I412 WeakPolarHBondContact CD-O 3.35Å; R167-I412 PolarHBondContact NH1-O 3.15Å; L408-I412 WeakPolarHBondContact O-CG1 3.08Å; L408-I412 PolarHBondContact O-N 2.91Å; L408-I412 VanDerWaalsContact O-N 3.14Å; M410-I412 PolarHBondContact O-N 3.19Å; I412-W417 HydrophobicContact CG1-CH2 4.45Å; I412-W417 HydrophobicContact CG1-CZ2 4.14Å; I412-T430 HydrophobicContact CG2-CG2 4.15Å; I412-T430 WeakPolarHBondContact O-CB 3.26Å; I412-T430 PolarHBondContact O-OG1 2.61Å
413A93.8Very high87.4Confident28 Ų2846.6 Ų46.623%0.23127%0.267CS..Hα-helixtrans-75-22.2177.200000114.9I162 R167 T409 M410I162-A413 HydrophobicContact CG2-CB 3.96Å; R167-A413 PolarHBondContact NH1-O 3.05Å; R167-A413 PolarHBondContact NH2-O 3.28Å; T409-A413 WeakPolarHBondContact O-CB 3.28Å; T409-A413 PolarHBondContact O-N 3.27Å; M410-A413 PolarHBondContact O-N 2.95Å
414T92.2Very high86.5Confident62 Ų6246.2 Ų46.238%0.3827%0.265SS..Hα-helixtrans-103-25.2176.956.60000112M410 N416M410-T414 HydrophobicContact CG-CG2 4.17Å; M410-T414 WeakPolarHBondContact O-CB 3.45Å; M410-T414 WeakPolarHBondContact O-CG2 3.26Å; M410-T414 PolarHBondContact O-N 3.23Å; M410-T414 PolarHBondContact O-OG1 2.63Å; M410-T414 HydrophobicContact SD-CG2 3.54Å; M410-T414 VanDerWaalsContact SD-CG2 3.54Å; T414-N416 PolarHBondContact O-N 3.01Å; T414-N416 PolarHBondContact OG1-N 3.21Å
415G89.4Confident85.9Confident0 Ų050.9 Ų50.90%029%0.289CS..  trans75.410.1-171.400000113.4A411 R427 G428 V429 T430A411-G415 WeakPolarHBondContact O-CA 3.43Å; A411-G415 PolarHBondContact O-N 2.8Å; G415-R427 CarbonylContact O-C 3.46Å; G415-G428 PolarHBondContact O-N 2.67Å; G415-V429 PolarHBondContact O-N 2.89Å; G415-V429 VanDerWaalsContact O-N 3.13Å; G415-T430 WeakPolarHBondContact CA-OG1 3.47Å; G415-T430 PolarHBondContact N-OG1 3.16Å
416N88.9Confident85.4Confident74 Ų7450 Ų5040%0.39628%0.282SS..  trans-100120.1178.8-65.3-21.8000109.9T414T414-N416 PolarHBondContact O-N 3.01Å; T414-N416 PolarHBondContact OG1-N 3.21Å
417W86.8Confident84.8Confident6 Ų655.6 Ų55.62%0.02329%0.292CS..EExtended strand (participates in β ladder)trans-117.585.1-178.5-64.371.7000108.1I169 L360 I361 L364 I412 R426 V429 T430I169-W417 HydrophobicContact CD1-CH2 4.2Å; I169-W417 HydrophobicContact CD1-CZ2 3.98Å; I169-W417 HydrophobicContact CG1-CZ2 4.5Å; L360-W417 HydrophobicContact CB-CH2 4.32Å; L360-W417 HydrophobicContact CB-CZ3 4.24Å; L360-W417 VanDerWaalsContact O-CZ3 3.24Å; L360-W417 WeakPolarHBondContact O-CZ3 3.43Å; I361-W417 HydrophobicContact CG1-CH2 3.89Å; L364-W417 HydrophobicContact CB-CE3 3.8Å; L364-W417 HydrophobicContact CB-CZ3 3.47Å; L364-W417 VanDerWaalsContact CB-CZ3 3.47Å; L364-W417 HydrophobicContact CD2-CE3 3.73Å; L364-W417 HydrophobicContact CD2-CH2 3.9Å; L364-W417 HydrophobicContact CD2-CZ3 3.37Å; L364-W417 HydrophobicContact CG-CE3 4.26Å; L364-W417 HydrophobicContact CG-CZ3 4.03Å; I412-W417 HydrophobicContact CG1-CH2 4.45Å; I412-W417 HydrophobicContact CG1-CZ2 4.14Å; W417-R426 HydrophobicContact CB-CB 4.32Å; W417-R426 PolarHBondContact N-O 3.41Å; W417-R426 PolarHBondContact O-N 2.82Å; W417-V429 VanDerWaalsContact CD1-CB 3.42Å; W417-V429 HydrophobicContact CG-CB 4.39Å; W417-V429 HydrophobicContact CG-CG2 4.18Å; W417-T430 HydrophobicContact CZ2-CG2 4.32Å
418S83.6Confident84.3Confident79 Ų7956 Ų5655%0.55230%0.297SS*.EExtended strand (participates in β ladder)trans-101.997.1179.862.20000110.2L424S418-L424 CarbonylContact C-O 3.49Å; S418-L424 WeakPolarHBondContact CA-O 3.34Å
419V80.6Confident84Confident1 Ų156 Ų561%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-112.696.4175.3-174.50000109.2L364 D367 R421 Y422 S423 L424L364-V419 HydrophobicContact CD1-CG2 4.42Å; D367-V419 HydrophobicContact CB-CG1 3.77Å; V419-R421 VanDerWaalsContact C-N 3.27Å; V419-R421 PolarHBondContact O-N 2.96Å; V419-Y422 HydrophobicContact CB-CD2 4.39Å; V419-Y422 HydrophobicContact CG1-CD2 3.52Å; V419-Y422 HydrophobicContact CG1-CE2 4.23Å; V419-Y422 HydrophobicContact CG1-CG 4.34Å; V419-Y422 PolarHBondContact O-N 3.38Å; V419-S423 PolarHBondContact O-N 3Å; V419-L424 HydrophobicContact CB-CB 4.35Å; V419-L424 PolarHBondContact N-O 2.93Å; V419-L424 PolarHBondContact O-N 2.92Å; V419-L424 VanDerWaalsContact O-N 3.1Å
420Q75Confident83.8Confident174 Ų17454.7 Ų54.781%0.81329%0.289SS*.G310 helixtrans-57.3-38.9-175-68.9-178.6-17.800112.7Y422 S423Q420-Y422 PolarHBondContact O-N 2.94Å; Q420-S423 PolarHBondContact O-N 2.67Å
421R68.7Low83.5Confident100 Ų10053.9 Ų53.938%0.37728%0.279SS..G310 helixtrans-59.5-35.5-178179.8169173.4-121.6-3.7112.8E366 R370 V419E366-R421 IonicContact OE1-CZ 3.75Å; E366-R421 IonicContact OE1-NH1 3.76Å; E366-R421 PolarHBondContact OE1-NH1 3.48Å; R370-R421 VanDerWaalsContact NH1-CZ 3.26Å; R370-R421 VanDerWaalsContact NH1-NH2 3.18Å; R370-R421 VanDerWaalsContact NH2-NH1 3.16Å; R370-R421 VanDerWaalsContact NH2-NH2 3.1Å; V419-R421 VanDerWaalsContact C-N 3.27Å; V419-R421 PolarHBondContact O-N 2.96Å
422Y67.3Low83.4Confident30 Ų3057.5 Ų57.512%0.11830%0.301CS..G310 helixtrans-96.66.2-180-62.3-52.9000112.9R202 V363 E366 V419 Q420 L424R202-Y422 HydrophobicContact CB-CD1 4.01Å; R202-Y422 HydrophobicContact CB-CE1 4.38Å; V363-Y422 HydrophobicContact CG1-CD2 3.56Å; V363-Y422 HydrophobicContact CG1-CE2 3.77Å; E366-Y422 PolarHBondContact OE1-OH 2.91Å; E366-Y422 PolarHBondContact OE2-OH 3.43Å; V419-Y422 HydrophobicContact CB-CD2 4.39Å; V419-Y422 HydrophobicContact CG1-CD2 3.52Å; V419-Y422 HydrophobicContact CG1-CE2 4.23Å; V419-Y422 HydrophobicContact CG1-CG 4.34Å; V419-Y422 PolarHBondContact O-N 3.38Å; Q420-Y422 PolarHBondContact O-N 2.94Å; Y422-L424 PolarHBondContact O-N 3.27Å; Y422-L424 VanDerWaalsContact O-N 3.15Å
423S68.6Low83Confident114 Ų11457.8 Ų57.880%0.79730%0.302SS*.THydrogen-bonded Turntrans4836.8-169.8-56.30000111.5V419 Q420V419-S423 PolarHBondContact O-N 3Å; Q420-S423 PolarHBondContact O-N 2.67Å
424L75Confident82.7Confident17 Ų1758.1 Ų58.19%0.08930%0.303CS..EExtended strand (participates in β ladder)trans-99.9108.3-178.4-165.477.2000107.8S418 V419 Y422 R426S418-L424 CarbonylContact C-O 3.49Å; S418-L424 WeakPolarHBondContact CA-O 3.34Å; V419-L424 HydrophobicContact CB-CB 4.35Å; V419-L424 PolarHBondContact N-O 2.93Å; V419-L424 PolarHBondContact O-N 2.92Å; V419-L424 VanDerWaalsContact O-N 3.1Å; Y422-L424 PolarHBondContact O-N 3.27Å; Y422-L424 VanDerWaalsContact O-N 3.15Å; L424-R426 HydrophobicContact CD1-CG 4.08Å; L424-R426 VanDerWaalsContact CD1-NE 3.28Å; L424-R426 HydrophobicContact CG-CG 4.05Å
425D81.9Confident82.3Confident97 Ų9760.1 Ų60.152%0.51932%0.32SS..EExtended strand (participates in β ladder)trans-121.290.4169.1-172.623.2000108.2R427D425-R427 IonicContact OD2-NE 3.05Å; D425-R427 IonicContact OD2-NH2 2.69Å; D425-R427 PolarHBondContact OD2-NH2 2.96Å
426R82.7Confident82.4Confident16 Ų1667.6 Ų67.66%0.0636%0.359CS..EExtended strand (participates in β ladder)trans-104.4137.2177.8-64.3179.9-173.7154.31.5110E174 E355 W417 L424 V429 Q451E174-R426 IonicContact OE1-CZ 2.77Å; E174-R426 IonicContact OE1-NE 3.63Å; E174-R426 IonicContact OE1-NH2 2.97Å; E174-R426 PolarHBondContact OE1-NH2 3.28Å; E355-R426 VanDerWaalsContact CD-NH2 3.27Å; E355-R426 IonicContact OE1-NH2 2.97Å; E355-R426 PolarHBondContact OE1-NH2 3.32Å; E355-R426 IonicContact OE2-CZ 3.93Å; E355-R426 VanDerWaalsContact OE2-CZ 3.23Å; E355-R426 IonicContact OE2-NH1 3.65Å; E355-R426 PolarHBondContact OE2-NH1 3.06Å; E355-R426 IonicContact OE2-NH2 2.84Å; E355-R426 PolarHBondContact OE2-NH2 2.87Å; W417-R426 HydrophobicContact CB-CB 4.32Å; W417-R426 PolarHBondContact N-O 3.41Å; W417-R426 PolarHBondContact O-N 2.82Å; L424-R426 HydrophobicContact CD1-CG 4.08Å; L424-R426 VanDerWaalsContact CD1-NE 3.28Å; L424-R426 HydrophobicContact CG-CG 4.05Å; R426-V429 HydrophobicContact CB-CG2 3.61Å; R426-Q451 VanDerWaalsContact CZ-NE2 3.31Å
427R83Confident82.5Confident187 Ų18767 Ų6771%0.70636%0.361SS*.  trans-123146179.4-60.2-176.2-172.5-179.84.8110.5G415 D425 V429G415-R427 CarbonylContact O-C 3.46Å; D425-R427 IonicContact OD2-NE 3.05Å; D425-R427 IonicContact OD2-NH2 2.69Å; D425-R427 PolarHBondContact OD2-NH2 2.96Å; R427-V429 VanDerWaalsContact C-N 3.28Å; R427-V429 PolarHBondContact O-N 2.63Å
428G81.9Confident82.6Confident30 Ų3072.3 Ų72.331%0.30938%0.381SS..SBendtrans70.321.8177.400000114.8G415 T430G415-G428 PolarHBondContact O-N 2.67Å; G428-T430 VanDerWaalsContact C-N 3.26Å; G428-T430 PolarHBondContact O-N 3.05Å
429V87.1Confident82.8Confident1 Ų169.8 Ų69.81%0.00637%0.365CS..  trans-64.9-33178175.60000111.3I169 F170 Q172 L360 G415 W417 R426 R427I169-V429 HydrophobicContact CG2-CG1 3.99Å; F170-V429 PolarHBondContact N-O 3.36Å; Q172-V429 HydrophobicContact CG-CG1 4.31Å; L360-V429 HydrophobicContact CD1-CG1 4.1Å; G415-V429 PolarHBondContact O-N 2.89Å; G415-V429 VanDerWaalsContact O-N 3.13Å; W417-V429 VanDerWaalsContact CD1-CB 3.42Å; W417-V429 HydrophobicContact CG-CB 4.39Å; W417-V429 HydrophobicContact CG-CG2 4.18Å; R426-V429 HydrophobicContact CB-CG2 3.61Å; R427-V429 VanDerWaalsContact C-N 3.28Å; R427-V429 PolarHBondContact O-N 2.63Å
430T91.3Very high83Confident6 Ų670.8 Ų70.84%0.03737%0.372CS..EExtended strand (participates in β ladder)trans-110.1140176.274.40000110.7M168 I169 I412 G415 W417 G428M168-T430 VanDerWaalsContact O-CA 3.25Å; M168-T430 WeakPolarHBondContact O-CA 3.48Å; I169-T430 HydrophobicContact CG1-CG2 3.76Å; I412-T430 HydrophobicContact CG2-CG2 4.15Å; I412-T430 WeakPolarHBondContact O-CB 3.26Å; I412-T430 PolarHBondContact O-OG1 2.61Å; G415-T430 WeakPolarHBondContact CA-OG1 3.47Å; G415-T430 PolarHBondContact N-OG1 3.16Å; W417-T430 HydrophobicContact CZ2-CG2 4.32Å; G428-T430 VanDerWaalsContact C-N 3.26Å; G428-T430 PolarHBondContact O-N 3.05Å
431R88.3Confident83.6Confident101 Ų10163.3 Ų63.338%0.38134%0.34SS..EExtended strand (participates in β ladder)trans-136.1165.9168-54.8170.1-172176.2-2.6110.1R167 M168 F170R167-R431 WeakPolarHBondContact CA-O 3.46Å; M168-R431 PolarHBondContact N-O 3.14Å; M168-R431 PolarHBondContact O-N 3.18Å; M168-R431 VanDerWaalsContact O-N 3.15Å; F170-R431 HydrophobicContact CD2-CG 4.4Å; F170-R431 HydrophobicContact CE2-CB 3.5Å; F170-R431 VanDerWaalsContact CE2-CB 3.5Å; F170-R431 VanDerWaalsContact CE2-CD 3.49Å; F170-R431 HydrophobicContact CE2-CG 3.51Å; F170-R431 HydrophobicContact CZ-CB 3.95Å; F170-R431 HydrophobicContact CZ-CG 4.29Å
432V90.4Very high84.4Confident83 Ų8359.3 Ų59.350%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-69.9134.9173.3-178.90000108.8E166E166-V432 VanDerWaalsContact O-CA 3.31Å; E166-V432 WeakPolarHBondContact O-CA 3.36Å
433V86.9Confident85.2Confident7 Ų758.4 Ų58.44%0.04232%0.323CS..  trans-66.2134.9176.6179.40000109.2Y159 E166 M168 S435 A441 M445Y159-V433 HydrophobicContact CG-CG2 4.23Å; E166-V433 HydrophobicContact CB-CB 4.4Å; E166-V433 HydrophobicContact CB-CG2 4.47Å; E166-V433 PolarHBondContact O-N 3.14Å; E166-V433 VanDerWaalsContact O-N 3.11Å; M168-V433 HydrophobicContact CB-CG2 3.7Å; V433-S435 PolarHBondContact O-N 2.83Å; V433-A441 HydrophobicContact CG1-CB 4.38Å; V433-M445 HydrophobicContact CG1-CE 3.92Å
434S87.3Confident85.9Confident36 Ų3653.5 Ų53.525%0.25229%0.289SS..  trans-78.4104.4177.8-175.20000111L436 S440 A441S434-L436 VanDerWaalsContact C-N 3.27Å; S434-L436 PolarHBondContact O-N 2.76Å; S434-L436 WeakPolarHBondContact OG-CG 3.49Å; S434-S440 PolarHBondContact O-OG 3.16Å; S434-A441 WeakPolarHBondContact O-CA 3.28Å; S434-A441 PolarHBondContact O-N 3.11Å
435S84.5Confident86.4Confident104 Ų10452.9 Ų52.973%0.72729%0.285SS*.  trans-87.221.9177.354.80000114.1V433V433-S435 PolarHBondContact O-N 2.83Å
436L90.5Very high86.7Confident156 Ų15649.2 Ų49.282%0.81726%0.264SS*.SBendtrans-66.4-41-179.4-66.2174000112.6S434S434-L436 VanDerWaalsContact C-N 3.27Å; S434-L436 PolarHBondContact O-N 2.76Å; S434-L436 WeakPolarHBondContact OG-CG 3.49Å
437S91.3Very high87Confident63 Ų6351.1 Ų51.144%0.44127%0.271SS..  trans-152.5165.2178.965.10000109.5A439 S440 A441S437-A439 VanDerWaalsContact C-N 3.31Å; S437-A439 PolarHBondContact O-N 3.25Å; S437-S440 PolarHBondContact N-OG 2.82Å; S437-S440 PolarHBondContact O-N 2.76Å; S437-S440 PolarHBondContact O-OG 3.29Å; S437-S440 WeakPolarHBondContact OG-CB 3.47Å; S437-S440 PolarHBondContact OG-N 3.47Å; S437-S440 PolarHBondContact OG-OG 3.5Å; S437-S440 VanDerWaalsContact OG-OG 3.1Å; S437-A441 PolarHBondContact O-N 3.32Å; S437-A441 VanDerWaalsContact O-N 3.09Å
438Y88.1Confident87.2Confident117 Ų11742.3 Ų42.346%0.45924%0.238SC..Hα-helixtrans-56.3-48171.8-171.4-104.9000111.1L154 S440 A441 F442 F660L154-Y438 HydrophobicContact CB-CE2 4.03Å; L154-Y438 VanDerWaalsContact O-CE2 3.3Å; L154-Y438 WeakPolarHBondContact O-CE2 3.29Å; L154-Y438 PolarHBondContact O-OH 2.73Å; Y438-S440 PolarHBondContact O-N 3.22Å; Y438-A441 WeakPolarHBondContact O-CB 3.46Å; Y438-A441 PolarHBondContact O-N 2.83Å; Y438-F442 AromaticContact CD1-CD2 3.83Å; Y438-F442 HydrophobicContact CD1-CD2 3.83Å; Y438-F442 AromaticContact CD1-CE2 3.92Å; Y438-F442 HydrophobicContact CD1-CE2 3.92Å; Y438-F442 HydrophobicContact CD2-CD2 4.23Å; Y438-F442 AromaticContact CD2-CE2 3.9Å; Y438-F442 HydrophobicContact CD2-CE2 3.9Å; Y438-F442 AromaticContact CE1-CD2 3.6Å; Y438-F442 HydrophobicContact CE1-CD2 3.6Å; Y438-F442 AromaticContact CE1-CE2 3.29Å; Y438-F442 HydrophobicContact CE1-CE2 3.29Å; Y438-F442 AromaticContact CE1-CZ 3.96Å; Y438-F442 HydrophobicContact CE1-CZ 3.96Å; Y438-F442 HydrophobicContact CE2-CD2 4.06Å; Y438-F442 AromaticContact CE2-CE2 3.3Å; Y438-F442 HydrophobicContact CE2-CE2 3.3Å; Y438-F442 HydrophobicContact CE2-CZ 4.15Å; Y438-F442 HydrophobicContact CG-CD2 4.15Å; Y438-F442 HydrophobicContact CG-CE2 4.2Å; Y438-F442 AromaticContact CZ-CD2 3.74Å; Y438-F442 AromaticContact CZ-CE2 2.95Å; Y438-F442 AromaticContact CZ-CZ 3.52Å; Y438-F442 WeakPolarHBondContact O-CD2 3.32Å; Y438-F442 PolarHBondContact O-N 3.17Å; Y438-F442 WeakPolarHBondContact OH-CE2 3.21Å; Y438-F442 WeakPolarHBondContact OH-CZ 3.12Å; Y438-F660 HydrophobicContact CD1-CE1 4.43Å; Y438-F660 HydrophobicContact CD1-CZ 4.15Å; Y438-F660 HydrophobicContact CE1-CZ 4.07Å
439A87.6Confident87.4Confident26 Ų2641.2 Ų41.222%0.21523%0.226CC..Hα-helixtrans-61.4-40.1179.600000113.2S437 A441 F442 D443 F660S437-A439 VanDerWaalsContact C-N 3.31Å; S437-A439 PolarHBondContact O-N 3.25Å; A439-A441 VanDerWaalsContact C-N 3.34Å; A439-A441 PolarHBondContact O-N 3.32Å; A439-F442 PolarHBondContact O-N 3.45Å; A439-D443 WeakPolarHBondContact O-CB 3.43Å; A439-D443 PolarHBondContact O-N 3.46Å; A439-F660 HydrophobicContact CB-CD1 4.15Å; A439-F660 HydrophobicContact CB-CE1 3.86Å
440S86.3Confident87Confident22 Ų2242.1 Ų42.115%0.15423%0.231CC..Hα-helixtrans-67.6-34.8177.264.90000112.7S434 S437 Y438 S444S434-S440 PolarHBondContact O-OG 3.16Å; S437-S440 PolarHBondContact N-OG 2.82Å; S437-S440 PolarHBondContact O-N 2.76Å; S437-S440 PolarHBondContact O-OG 3.29Å; S437-S440 WeakPolarHBondContact OG-CB 3.47Å; S437-S440 PolarHBondContact OG-N 3.47Å; S437-S440 PolarHBondContact OG-OG 3.5Å; S437-S440 VanDerWaalsContact OG-OG 3.1Å; Y438-S440 PolarHBondContact O-N 3.22Å; S440-S444 WeakPolarHBondContact O-CB 3.4Å; S440-S444 PolarHBondContact O-N 3.25Å; S440-S444 PolarHBondContact O-OG 2.97Å
441A86.2Confident85.9Confident16 Ų1645.5 Ų45.513%0.13225%0.246CC..Hα-helixtrans-64.5-48.8174.300000110V433 S434 S437 Y438 A439 D443 S444 M445V433-A441 HydrophobicContact CG1-CB 4.38Å; S434-A441 WeakPolarHBondContact O-CA 3.28Å; S434-A441 PolarHBondContact O-N 3.11Å; S437-A441 PolarHBondContact O-N 3.32Å; S437-A441 VanDerWaalsContact O-N 3.09Å; Y438-A441 WeakPolarHBondContact O-CB 3.46Å; Y438-A441 PolarHBondContact O-N 2.83Å; A439-A441 VanDerWaalsContact C-N 3.34Å; A439-A441 PolarHBondContact O-N 3.32Å; A441-D443 PolarHBondContact O-N 3.33Å; A441-S444 WeakPolarHBondContact O-CB 3.03Å; A441-S444 PolarHBondContact O-N 3.07Å; A441-M445 HydrophobicContact CB-CE 4.43Å; A441-M445 WeakPolarHBondContact O-CG 3.43Å; A441-M445 PolarHBondContact O-N 2.99Å
442F85.7Confident84.6Confident16 Ų1645.9 Ų45.97%0.0725%0.248CC..Hα-helixtrans-60.6-44.7176.3-90.4-92.4000113.4L31 P156 Y438 A439 M445 R446 F660L31-F442 HydrophobicContact CD1-CD1 4.18Å; L31-F442 HydrophobicContact CD1-CE1 4.2Å; P156-F442 HydrophobicContact CB-CE1 3.82Å; P156-F442 HydrophobicContact CB-CE2 4.09Å; P156-F442 HydrophobicContact CB-CZ 3.54Å; P156-F442 VanDerWaalsContact CD-CE2 3.44Å; P156-F442 HydrophobicContact CG-CD2 4.19Å; P156-F442 HydrophobicContact CG-CE1 4.12Å; P156-F442 HydrophobicContact CG-CE2 3.57Å; P156-F442 HydrophobicContact CG-CZ 3.58Å; Y438-F442 AromaticContact CD1-CD2 3.83Å; Y438-F442 HydrophobicContact CD1-CD2 3.83Å; Y438-F442 AromaticContact CD1-CE2 3.92Å; Y438-F442 HydrophobicContact CD1-CE2 3.92Å; Y438-F442 HydrophobicContact CD2-CD2 4.23Å; Y438-F442 AromaticContact CD2-CE2 3.9Å; Y438-F442 HydrophobicContact CD2-CE2 3.9Å; Y438-F442 AromaticContact CE1-CD2 3.6Å; Y438-F442 HydrophobicContact CE1-CD2 3.6Å; Y438-F442 AromaticContact CE1-CE2 3.29Å; Y438-F442 HydrophobicContact CE1-CE2 3.29Å; Y438-F442 AromaticContact CE1-CZ 3.96Å; Y438-F442 HydrophobicContact CE1-CZ 3.96Å; Y438-F442 HydrophobicContact CE2-CD2 4.06Å; Y438-F442 AromaticContact CE2-CE2 3.3Å; Y438-F442 HydrophobicContact CE2-CE2 3.3Å; Y438-F442 HydrophobicContact CE2-CZ 4.15Å; Y438-F442 HydrophobicContact CG-CD2 4.15Å; Y438-F442 HydrophobicContact CG-CE2 4.2Å; Y438-F442 AromaticContact CZ-CD2 3.74Å; Y438-F442 AromaticContact CZ-CE2 2.95Å; Y438-F442 AromaticContact CZ-CZ 3.52Å; Y438-F442 WeakPolarHBondContact O-CD2 3.32Å; Y438-F442 PolarHBondContact O-N 3.17Å; Y438-F442 WeakPolarHBondContact OH-CE2 3.21Å; Y438-F442 WeakPolarHBondContact OH-CZ 3.12Å; A439-F442 PolarHBondContact O-N 3.45Å; F442-M445 WeakPolarHBondContact O-CB 3.41Å; F442-M445 PolarHBondContact O-N 2.65Å; F442-M445 VanDerWaalsContact O-N 3.11Å; F442-R446 PolarHBondContact O-N 3Å; F442-F660 HydrophobicContact CB-CD1 3.9Å; F442-F660 HydrophobicContact CB-CE1 4.22Å; F442-F660 HydrophobicContact CB-CG 4.14Å; F442-F660 HydrophobicContact CG-CE1 4.49Å
443D84.3Confident82.8Confident12 Ų1248.9 Ų48.96%0.06426%0.257CS..Hα-helixtrans-63.8-44.2178.6-178.450.4000111.8A439 A441 M445 R446 R447 N476 S488 T661A439-D443 WeakPolarHBondContact O-CB 3.43Å; A439-D443 PolarHBondContact O-N 3.46Å; A441-D443 PolarHBondContact O-N 3.33Å; D443-M445 PolarHBondContact O-N 3Å; D443-R446 PolarHBondContact O-N 2.64Å; D443-R446 VanDerWaalsContact O-N 3.16Å; D443-R447 WeakPolarHBondContact O-CB 3.17Å; D443-R447 PolarHBondContact O-N 3.2Å; D443-R447 IonicContact OD2-CZ 3.38Å; D443-R447 IonicContact OD2-NE 3.79Å; D443-R447 IonicContact OD2-NH2 3.03Å; D443-R447 PolarHBondContact OD2-NH2 3.41Å; D443-N476 PolarHBondContact OD1-ND2 3.28Å; D443-S488 PolarHBondContact OD1-OG 2.87Å; D443-T661 WeakPolarHBondContact CB-OG1 3.3Å
444S84Confident81.1Confident11 Ų1155 Ų558%0.07728%0.28CS..Hα-helixtrans-54.8-41.6173.4-59.30000109.8F170 S440 A441 R446 R447F170-S444 WeakPolarHBondContact CD1-O 3.38Å; F170-S444 WeakPolarHBondContact CE1-O 3.35Å; S440-S444 WeakPolarHBondContact O-CB 3.4Å; S440-S444 PolarHBondContact O-N 3.25Å; S440-S444 PolarHBondContact O-OG 2.97Å; A441-S444 WeakPolarHBondContact O-CB 3.03Å; A441-S444 PolarHBondContact O-N 3.07Å; S444-R446 PolarHBondContact O-N 3.31Å; S444-R447 WeakPolarHBondContact O-CB 3.47Å; S444-R447 PolarHBondContact O-N 3.42Å
445M86.1Confident79.1Confident4 Ų457.5 Ų57.52%0.0230%0.297CS..Hα-helixtrans-71.1-26.9-178.3-69.2-179.7-160.700115.7M32 P156 Y159 M168 V433 A441 F442 D443M32-M445 HydrophobicContact CE-CB 3.63Å; M32-M445 HydrophobicContact CE-CG 4.21Å; M32-M445 HydrophobicContact CE-SD 4.41Å; M32-M445 HydrophobicContact CG-CB 4.34Å; M32-M445 HydrophobicContact CG-SD 4.17Å; M32-M445 HydrophobicContact SD-CB 3.47Å; M32-M445 WeakPolarHBondContact SD-CB 3.19Å; M32-M445 HydrophobicContact SD-CG 4.44Å; M32-M445 HydrophobicContact SD-SD 4.45Å; P156-M445 HydrophobicContact CB-SD 3.85Å; P156-M445 HydrophobicContact CG-CE 3.61Å; P156-M445 HydrophobicContact CG-SD 3.27Å; P156-M445 WeakPolarHBondContact CG-SD 3.3Å; Y159-M445 HydrophobicContact CD1-CE 3.65Å; Y159-M445 HydrophobicContact CE1-CE 3.95Å; M168-M445 VanDerWaalsContact CE-CA 3.48Å; M168-M445 HydrophobicContact CE-CB 4.23Å; M168-M445 WeakPolarHBondContact CE-O 3.41Å; M168-M445 VanDerWaalsContact SD-CA 3.51Å; M168-M445 HydrophobicContact SD-CB 4.24Å; M168-M445 HydrophobicContact SD-CG 4.02Å; V433-M445 HydrophobicContact CG1-CE 3.92Å; A441-M445 HydrophobicContact CB-CE 4.43Å; A441-M445 WeakPolarHBondContact O-CG 3.43Å; A441-M445 PolarHBondContact O-N 2.99Å; F442-M445 WeakPolarHBondContact O-CB 3.41Å; F442-M445 PolarHBondContact O-N 2.65Å; F442-M445 VanDerWaalsContact O-N 3.11Å; D443-M445 PolarHBondContact O-N 3Å
446R87.6Confident77.6Confident20 Ų2062 Ų628%0.07530%0.298CS..Hα-helixtrans-95.30.3175.4-78.9-72.8-164.8168.85.9113.7L31 F442 D443 S444 I489 T493L31-R446 VanDerWaalsContact CA-NH2 3.25Å; L31-R446 PolarHBondContact O-NE 3.15Å; L31-R446 PolarHBondContact O-NH2 3Å; F442-R446 PolarHBondContact O-N 3Å; D443-R446 PolarHBondContact O-N 2.64Å; D443-R446 VanDerWaalsContact O-N 3.16Å; S444-R446 PolarHBondContact O-N 3.31Å; R446-I489 PolarHBondContact O-N 3.34Å; R446-T493 PolarHBondContact NH1-O 3.32Å; R446-T493 VanDerWaalsContact NH1-O 3.1Å
447R87.8Confident75.8Confident55 Ų5564.1 Ų64.121%0.20830%0.301CS..EExtended strand (participates in β ladder)trans-75.8134.6178.9-168.7171.6-67.3169.8-1.2110.7F170 P171 D443 S444 S487F170-R447 HydrophobicContact CD1-CB 4.11Å; F170-R447 WeakPolarHBondContact CD1-O 3.44Å; F170-R447 HydrophobicContact CE1-CB 4.23Å; P171-R447 WeakPolarHBondContact CD-O 3.46Å; D443-R447 WeakPolarHBondContact O-CB 3.17Å; D443-R447 PolarHBondContact O-N 3.2Å; D443-R447 IonicContact OD2-CZ 3.38Å; D443-R447 IonicContact OD2-NE 3.79Å; D443-R447 IonicContact OD2-NH2 3.03Å; D443-R447 PolarHBondContact OD2-NH2 3.41Å; S444-R447 WeakPolarHBondContact O-CB 3.47Å; S444-R447 PolarHBondContact O-N 3.42Å; R447-S487 CarbonylContact C-O 3.47Å; R447-S487 WeakPolarHBondContact CA-O 3.47Å
448M88.1Confident74.1Confident2 Ų264.5 Ų64.51%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-112.1153.7169.866.4-161.4177.700109.9P171 Y349 L354 V472 S487 I489P171-M448 HydrophobicContact CB-CB 4.08Å; P171-M448 HydrophobicContact CG-CB 4.42Å; P171-M448 WeakPolarHBondContact O-CA 3.4Å; Y349-M448 WeakPolarHBondContact OH-CE 3.38Å; Y349-M448 PolarHBondContact OH-SD 3.26Å; L354-M448 HydrophobicContact CD1-SD 4.37Å; L354-M448 HydrophobicContact CD2-CB 4.41Å; L354-M448 HydrophobicContact CD2-SD 4.06Å; M448-V472 HydrophobicContact CE-CB 4.12Å; M448-V472 HydrophobicContact CE-CG1 3.41Å; M448-V472 VanDerWaalsContact CE-CG1 3.41Å; M448-V472 HydrophobicContact CE-CG2 3.62Å; M448-S487 WeakPolarHBondContact CG-O 3.39Å; M448-S487 PolarHBondContact N-O 3.25Å; M448-S487 PolarHBondContact O-N 3.18Å; M448-I489 HydrophobicContact SD-CG1 3.85Å
449T85.4Confident72.4Confident8 Ų865.2 Ų65.25%0.04931%0.312CS..EExtended strand (participates in β ladder)trans-122134.1178.654.90000111F170 P171 Q172 E173 V485F170-T449 HydrophobicContact CB-CG2 4.31Å; F170-T449 HydrophobicContact CG-CG2 4.45Å; P171-T449 PolarHBondContact O-N 3.13Å; Q172-T449 WeakPolarHBondContact CA-O 3.39Å; Q172-T449 PolarHBondContact NE2-OG1 3.46Å; Q172-T449 PolarHBondContact OE1-OG1 3.41Å; E173-T449 PolarHBondContact N-O 3.08Å; T449-V485 WeakPolarHBondContact CA-O 3.31Å
450T79.4Confident70.7Confident19 Ų1968.6 Ų68.612%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-81.8152170.968.80000110.7E173 Y452 V485E173-T450 HydrophobicContact CB-CG2 4.36Å; T450-Y452 VanDerWaalsContact C-N 3.29Å; T450-Y452 PolarHBondContact O-N 3.42Å; T450-V485 PolarHBondContact N-O 3.12Å; T450-V485 WeakPolarHBondContact OG1-CA 3.48Å; T450-V485 PolarHBondContact OG1-O 3.36Å
451Q67.7Low69.4Low77 Ų7768.8 Ų68.836%0.3633%0.334SS..  trans-834.3-179.3-66.6-167.68.400115.8E174 R426 E453E174-Q451 PolarHBondContact OE1-NE2 3.03Å; E174-Q451 PolarHBondContact OE1-OE1 2.86Å; R426-Q451 VanDerWaalsContact CZ-NE2 3.31Å; Q451-E453 PolarHBondContact O-N 3.49Å; Q451-E453 VanDerWaalsContact O-N 3.16Å
452Y61Low68.2Low109 Ų10969.6 Ų69.643%0.42734%0.344SS..  trans-60.9123.4-179.5-76.1-73.2000111.2D347 T450 W454D347-Y452 PolarHBondContact OD1-OH 3.49Å; T450-Y452 VanDerWaalsContact C-N 3.29Å; T450-Y452 PolarHBondContact O-N 3.42Å; Y452-W454 PolarHBondContact O-N 2.85Å
453E52.1Low67.6Low146 Ų14672.5 Ų72.568%0.68237%0.366SS*.  trans-62.9131170.4-71.2-175.1170.100109.5Q451 S455 R456Q451-E453 PolarHBondContact O-N 3.49Å; Q451-E453 VanDerWaalsContact O-N 3.16Å; E453-S455 PolarHBondContact O-N 3.38Å; E453-R456 PolarHBondContact O-N 2.69Å
454W51.3Low67.4Low136 Ų13676.5 Ų76.552%0.51539%0.387SS..THydrogen-bonded Turntrans-46.6-22.6175.8-5790.4000114.8Y452 R456 E481 P482 V485Y452-W454 PolarHBondContact O-N 2.85Å; W454-R456 PolarHBondContact O-N 3.16Å; W454-E481 HydrophobicContact CE3-CB 4.45Å; W454-E481 HydrophobicContact CE3-CG 3.7Å; W454-E481 HydrophobicContact CZ3-CB 4.03Å; W454-E481 HydrophobicContact CZ3-CG 3.78Å; W454-P482 HydrophobicContact CH2-CB 3.87Å; W454-P482 HydrophobicContact CZ3-CB 4.23Å; W454-V485 HydrophobicContact CE3-CG2 4.43Å; W454-V485 HydrophobicContact CH2-CG2 4.25Å; W454-V485 HydrophobicContact CZ2-CG2 4.46Å; W454-V485 HydrophobicContact CZ3-CG2 4.24Å
455S47Very low67.4Low88 Ų8877.8 Ų77.862%0.61539%0.392SS*.THydrogen-bonded Turntrans-73.2-23.8-169.563.50000114.7E453E453-S455 PolarHBondContact O-N 3.38Å
456R52.5Low67.5Low198 Ų19883.1 Ų83.175%0.74743%0.43SS*.  trans-100.1109.9-176-64.5-171.3-1771771.7111.4E453 W454 V458E453-R456 PolarHBondContact O-N 2.69Å; W454-R456 PolarHBondContact O-N 3.16Å; R456-V458 HydrophobicContact CB-CG2 4.01Å; R456-V458 PolarHBondContact O-N 3.48Å
457K52.9Low67.6Low201 Ų20182.8 Ų82.887%0.87443%0.43SS*.  trans-68.771.9164.4-67.1-176.8179.1-179.20110
458V55.2Low67.6Low71 Ų7180.6 Ų80.643%0.4342%0.423SS..  trans-93.6119.6164.8-1700000106.2R456 K484R456-V458 HydrophobicContact CB-CG2 4.01Å; R456-V458 PolarHBondContact O-N 3.48Å; V458-K484 PolarHBondContact O-NZ 3.24Å
459D52Low67.6Low133 Ų13386.4 Ų86.471%0.71145%0.445SS*.SBendtrans-76.7-29.6-174.8-71.5-31.4000112.4K484D459-K484 IonicContact OD1-NZ 2.69Å
460C52.2Low67.6Low96 Ų9686 Ų8665%0.64944%0.443SS*.G310 helixtrans-72.7-37.5-174.1-590000114.2G462 S463C460-G462 PolarHBondContact O-N 3.02Å; C460-S463 PolarHBondContact O-N 3.45Å; C460-S463 PolarHBondContact O-OG 3.16Å
461S58Low68Low27 Ų2785.2 Ų85.219%0.18944%0.438CS..G310 helixtrans-71.8-13.1-174.961.60000114.1S463S461-S463 VanDerWaalsContact C-N 3.32Å
462G61.5Low69Low32 Ų3281.8 Ų81.833%0.3342%0.422SS..G310 helixtrans-82.8-6.6176.500000114.4C460C460-G462 PolarHBondContact O-N 3.02Å
463S73Confident70.3Confident78 Ų7876.8 Ų76.855%0.54540%0.403SS..SBendtrans-86.4141.7-177.163.90000111.5C460 S461 Q465C460-S463 PolarHBondContact O-N 3.45Å; C460-S463 PolarHBondContact O-OG 3.16Å; S461-S463 VanDerWaalsContact C-N 3.32Å; S463-Q465 PolarHBondContact O-N 3.01Å
464L80.3Confident71.9Confident95 Ų9572.7 Ų72.750%0.49739%0.389SS..PPolyproline II helixtrans-72.7119.9173.8-176.772.4000108.9C468 P474L464-C468 HydrophobicContact CD1-CB 3.71Å; L464-C468 HydrophobicContact CG-CB 4.35Å; L464-P474 HydrophobicContact CD2-CB 3.6Å
465Q84.4Confident73.3Confident39 Ų3968.6 Ų68.618%0.18239%0.389CS..PPolyproline II helixtrans-80150.9178.3-62.4-159.4-30.800112.6D345 D347 F348 S463 S467 C468D345-Q465 PolarHBondContact OD2-NE2 3.36Å; D347-Q465 PolarHBondContact O-OE1 3.02Å; F348-Q465 VanDerWaalsContact N-OE1 3.08Å; S463-Q465 PolarHBondContact O-N 3.01Å; Q465-S467 PolarHBondContact O-N 3.24Å; Q465-S467 PolarHBondContact OE1-OG 2.88Å; Q465-C468 WeakPolarHBondContact O-CB 3.49Å; Q465-C468 PolarHBondContact O-N 3.11Å
466S88.9Confident74.9Confident116 Ų11665.3 Ų65.381%0.81137%0.365SS*.G310 helixtrans-61.7-25.8174.155.70000113C468 W469S466-C468 PolarHBondContact O-N 3.32Å; S466-W469 WeakPolarHBondContact O-CB 3.33Å; S466-W469 PolarHBondContact O-N 3.35Å; S466-W469 VanDerWaalsContact O-N 3.09Å
467S89.7Confident76.2Confident12 Ų1257.7 Ų57.78%0.08434%0.344CS..G310 helixtrans-63.3-22.3173.757.80000113.7F348 Y349 Q465 W469 R631F348-S467 VanDerWaalsContact CD2-CB 3.4Å; F348-S467 VanDerWaalsContact CE2-CB 3.43Å; Y349-S467 PolarHBondContact N-OG 2.9Å; Y349-S467 VanDerWaalsContact N-OG 3.13Å; Q465-S467 PolarHBondContact O-N 3.24Å; Q465-S467 PolarHBondContact OE1-OG 2.88Å; S467-W469 PolarHBondContact O-N 3.02Å; S467-R631 PolarHBondContact O-NH2 2.79Å
468C87.4Confident77.4Confident9 Ų949.7 Ų49.76%0.06131%0.312CS..G310 helixtrans-77.6-4.8177.2-60.60000113.2Y349 L464 Q465 S466 K470 T471 V472Y349-C468 WeakPolarHBondContact CD2-SG 3.31Å; L464-C468 HydrophobicContact CD1-CB 3.71Å; L464-C468 HydrophobicContact CG-CB 4.35Å; Q465-C468 WeakPolarHBondContact O-CB 3.49Å; Q465-C468 PolarHBondContact O-N 3.11Å; S466-C468 PolarHBondContact O-N 3.32Å; C468-K470 PolarHBondContact O-N 3.33Å; C468-K470 VanDerWaalsContact O-N 3.15Å; C468-T471 VanDerWaalsContact C-OG1 3.29Å; C468-T471 WeakPolarHBondContact CA-OG1 3.42Å; C468-T471 PolarHBondContact O-N 2.99Å; C468-T471 PolarHBondContact O-OG1 3.21Å; C468-V472 HydrophobicContact CB-CB 3.95Å; C468-V472 HydrophobicContact CB-CG2 3.87Å; C468-V472 PolarHBondContact O-N 3.17Å; C468-V472 VanDerWaalsContact O-N 3.07Å
469W88.3Confident78.3Confident125 Ų12555.9 Ų55.947%0.47333%0.334SS..THydrogen-bonded Turntrans-42.9121.4178.6175.1-111.5000110.8S466 S467 T471 R631 M638 E657S466-W469 WeakPolarHBondContact O-CB 3.33Å; S466-W469 PolarHBondContact O-N 3.35Å; S466-W469 VanDerWaalsContact O-N 3.09Å; S467-W469 PolarHBondContact O-N 3.02Å; W469-T471 PolarHBondContact O-N 3.15Å; W469-R631 PolarHBondContact O-NH1 3.1Å; W469-M638 HydrophobicContact CZ2-CE 3.9Å; W469-M638 HydrophobicContact CZ2-SD 4Å; W469-E657 VanDerWaalsContact CE3-OE1 3.23Å; W469-E657 WeakPolarHBondContact CZ3-OE2 3.11Å
470K84.4Confident79.4Confident0 Ų052.3 Ų52.30%033%0.328CS..THydrogen-bonded Turntrans58.41178.7-66.3179.6170.8175.10117.6C468 T493 K587 M638 E651 E657C468-K470 PolarHBondContact O-N 3.33Å; C468-K470 VanDerWaalsContact O-N 3.15Å; K470-T493 PolarHBondContact O-OG1 2.96Å; K470-K587 HydrophobicContact CB-CD 3.87Å; K470-K587 WeakPolarHBondContact O-CD 3.38Å; K470-M638 PolarHBondContact NZ-SD 2.9Å; K470-E651 VanDerWaalsContact CD-OE2 3.28Å; K470-E651 WeakPolarHBondContact CD-OE2 3.46Å; K470-E651 IonicContact NZ-OE1 3.51Å; K470-E651 IonicContact NZ-OE2 3.1Å; K470-E651 PolarHBondContact NZ-OE2 3.02Å; K470-E657 HydrophobicContact CG-CB 4.02Å; K470-E657 HydrophobicContact CG-CG 4.22Å; K470-E657 PolarHBondContact N-OE1 2.87Å; K470-E657 VanDerWaalsContact N-OE1 3.14Å
471T87.8Confident80.1Confident2 Ų254.4 Ų54.41%0.01233%0.329CS..THydrogen-bonded Turntrans-100-41.2176.249.90000111.1C468 W469 A490 T493 V585 V628C468-T471 VanDerWaalsContact C-OG1 3.29Å; C468-T471 WeakPolarHBondContact CA-OG1 3.42Å; C468-T471 PolarHBondContact O-N 2.99Å; C468-T471 PolarHBondContact O-OG1 3.21Å; W469-T471 PolarHBondContact O-N 3.15Å; T471-A490 WeakPolarHBondContact O-CB 3.21Å; T471-A490 PolarHBondContact O-N 2.86Å; T471-T493 WeakPolarHBondContact CA-OG1 3.45Å; T471-T493 PolarHBondContact O-OG1 2.84Å; T471-V585 HydrophobicContact CG2-CG1 3.81Å; T471-V628 HydrophobicContact CG2-CG2 4.45Å
472V88.9Confident80.8Confident4 Ų455.2 Ų55.22%0.02433%0.333CS..BIsolated β-bridgetrans-111.3139.3177.4-173.10000109Y349 M448 C468 P474 S488Y349-V472 HydrophobicContact CD1-CG2 4.28Å; Y349-V472 HydrophobicContact CE1-CG2 3.63Å; Y349-V472 HydrophobicContact CE2-CG2 4.18Å; M448-V472 HydrophobicContact CE-CB 4.12Å; M448-V472 HydrophobicContact CE-CG1 3.41Å; M448-V472 VanDerWaalsContact CE-CG1 3.41Å; M448-V472 HydrophobicContact CE-CG2 3.62Å; C468-V472 HydrophobicContact CB-CB 3.95Å; C468-V472 HydrophobicContact CB-CG2 3.87Å; C468-V472 PolarHBondContact O-N 3.17Å; C468-V472 VanDerWaalsContact O-N 3.07Å; V472-P474 WeakPolarHBondContact O-CD 3.07Å; V472-S488 WeakPolarHBondContact CG1-O 3.44Å
473C89.2Confident81.2Confident4 Ų456.5 Ų56.53%0.02734%0.336CS..  trans-68.4123176.4-1790000110.4G475 N476 S488 G659 L662C473-G475 PolarHBondContact O-N 3.02Å; C473-N476 HydrophobicContact CB-CB 4.13Å; C473-N476 WeakPolarHBondContact SG-CB 3.5Å; C473-S488 VanDerWaalsContact CB-O 3.3Å; C473-S488 WeakPolarHBondContact CB-O 3.42Å; C473-S488 PolarHBondContact N-O 3.31Å; C473-G659 PolarHBondContact SG-N 3.04Å; C473-L662 WeakPolarHBondContact SG-CD1 3.45Å
474P85.4Confident80.7Confident60 Ų6056.6 Ų56.639%0.3933%0.327SS..THydrogen-bonded Turntrans-71.7-26.7-172.125.3-34.1000114.7L464 V472 E657 L658L464-P474 HydrophobicContact CD2-CB 3.6Å; V472-P474 WeakPolarHBondContact O-CD 3.07Å; P474-E657 HydrophobicContact CG-CG 4.24Å; P474-L658 HydrophobicContact CG-CD2 4.41Å
475G81.6Confident80Confident50 Ų5052.8 Ų52.852%0.51531%0.307SS..THydrogen-bonded Turntrans-112.5-0.9-170.700000116.1C473 A477 L662C473-G475 PolarHBondContact O-N 3.02Å; G475-A477 PolarHBondContact O-N 3.47Å; G475-L662 VanDerWaalsContact CA-CD1 3.5Å
476N79.2Confident79.5Confident20 Ų2051.1 Ų51.111%0.10730%0.301CS..  trans-100.529.7-168.6-160.124000113.4D443 C473 S488 L662D443-N476 PolarHBondContact OD1-ND2 3.28Å; C473-N476 HydrophobicContact CB-CB 4.13Å; C473-N476 WeakPolarHBondContact SG-CB 3.5Å; N476-S488 WeakPolarHBondContact ND2-CB 3.39Å; N476-S488 PolarHBondContact ND2-OG 3.23Å; N476-L662 HydrophobicContact CB-CD1 4.21Å; N476-L662 HydrophobicContact CB-CG 4.17Å
477A79.5Confident79.2Confident38 Ų3847.1 Ų47.131%0.31427%0.273SS..PPolyproline II helixtrans-80.3140.5173.600000110.3G475G475-A477 PolarHBondContact O-N 3.47Å
478P78.1Confident79.1Confident32 Ų3246.6 Ų46.621%0.20827%0.269CS..PPolyproline II helixtrans-66.1137.9175.729.6-33.6000109.9P482 C483 G486P478-P482 HydrophobicContact CB-CB 4.23Å; P478-P482 HydrophobicContact CB-CG 3.86Å; P478-P482 HydrophobicContact CG-CB 3.67Å; P478-P482 HydrophobicContact CG-CG 3.84Å; P478-P482 WeakPolarHBondContact CG-O 3.19Å; P478-C483 WeakPolarHBondContact O-CA 3.49Å; P478-C483 WeakPolarHBondContact O-CB 3.25Å; P478-C483 PolarHBondContact O-N 3Å; P478-G486 WeakPolarHBondContact CD-O 3.41Å
479K74.7Confident79.2Confident202 Ų20246.5 Ų46.588%0.87827%0.268SS*.SBendtrans-71.1150.1177.1-67.2-174.3177.2-178.10111.4
480G74.8Confident79.3Confident58 Ų5840.5 Ų40.560%0.59825%0.245SC*.SBendtrans94.6-154177.800000113P482 C483G480-P482 VanDerWaalsContact C-N 3.35Å; G480-C483 WeakPolarHBondContact O-CB 3.1Å; G480-C483 PolarHBondContact O-N 3.26Å; G480-C483 VanDerWaalsContact O-N 3.08Å
481E67.2Low79.4Confident140 Ų14042.1 Ų42.165%0.65425%0.254SS*.G310 helixtrans-50.2-42.1177.6-153.2-176.2167.300114.7W454 C483W454-E481 HydrophobicContact CE3-CB 4.45Å; W454-E481 HydrophobicContact CE3-CG 3.7Å; W454-E481 HydrophobicContact CZ3-CB 4.03Å; W454-E481 HydrophobicContact CZ3-CG 3.78Å; E481-C483 PolarHBondContact O-N 3.17Å; E481-C483 VanDerWaalsContact O-N 3.13Å
482P72.7Confident79.2Confident43 Ų4342.3 Ų42.328%0.27926%0.255SS..G310 helixtrans-71.8-4.5-178.829.8-38.2000114.4W454 P478 G480 K484 V485 G486W454-P482 HydrophobicContact CH2-CB 3.87Å; W454-P482 HydrophobicContact CZ3-CB 4.23Å; P478-P482 HydrophobicContact CB-CB 4.23Å; P478-P482 HydrophobicContact CB-CG 3.86Å; P478-P482 HydrophobicContact CG-CB 3.67Å; P478-P482 HydrophobicContact CG-CG 3.84Å; P478-P482 WeakPolarHBondContact CG-O 3.19Å; G480-P482 VanDerWaalsContact C-N 3.35Å; P482-K484 PolarHBondContact O-N 3.44Å; P482-K484 VanDerWaalsContact O-N 3.15Å; P482-V485 PolarHBondContact O-N 3.27Å; P482-G486 PolarHBondContact O-N 3.41Å
483C70.4Confident79.2Confident59 Ų5942.2 Ų42.240%0.39926%0.255SS..G310 helixtrans-56.7-31.3-177.3-173.10000112.8P478 G480 E481 V485P478-C483 WeakPolarHBondContact O-CA 3.49Å; P478-C483 WeakPolarHBondContact O-CB 3.25Å; P478-C483 PolarHBondContact O-N 3Å; G480-C483 WeakPolarHBondContact O-CB 3.1Å; G480-C483 PolarHBondContact O-N 3.26Å; G480-C483 VanDerWaalsContact O-N 3.08Å; E481-C483 PolarHBondContact O-N 3.17Å; E481-C483 VanDerWaalsContact O-N 3.13Å; C483-V485 VanDerWaalsContact C-N 3.35Å
484K61.3Low79.3Confident81 Ų8142.1 Ų42.135%0.35225%0.254SS..G310 helixtrans-81.8-12.9178.1-61.2-168.2174.2-174.70113.7V458 D459 P482V458-K484 PolarHBondContact O-NZ 3.24Å; D459-K484 IonicContact OD1-NZ 2.69Å; P482-K484 PolarHBondContact O-N 3.44Å; P482-K484 VanDerWaalsContact O-N 3.15Å
485V67.2Low79.6Confident14 Ų1439.7 Ų39.79%0.08524%0.237CC..THydrogen-bonded Turntrans-112.5-34.2-165.9-175.50000112.3T449 T450 W454 P482 C483T449-V485 WeakPolarHBondContact CA-O 3.31Å; T450-V485 PolarHBondContact N-O 3.12Å; T450-V485 WeakPolarHBondContact OG1-CA 3.48Å; T450-V485 PolarHBondContact OG1-O 3.36Å; W454-V485 HydrophobicContact CE3-CG2 4.43Å; W454-V485 HydrophobicContact CH2-CG2 4.25Å; W454-V485 HydrophobicContact CZ2-CG2 4.46Å; W454-V485 HydrophobicContact CZ3-CG2 4.24Å; P482-V485 PolarHBondContact O-N 3.27Å; C483-V485 VanDerWaalsContact C-N 3.35Å
486G73.9Confident80.1Confident5 Ų537.4 Ų37.45%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-105.9124-177.400000111.6P478 P482P478-G486 WeakPolarHBondContact CD-O 3.41Å; P482-G486 PolarHBondContact O-N 3.41Å
487S82.1Confident80.5Confident31 Ų3138.1 Ų38.122%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-130.3161.6168.3-73.60000109R447 M448R447-S487 CarbonylContact C-O 3.47Å; R447-S487 WeakPolarHBondContact CA-O 3.47Å; M448-S487 WeakPolarHBondContact CG-O 3.39Å; M448-S487 PolarHBondContact N-O 3.25Å; M448-S487 PolarHBondContact O-N 3.18Å
488S88Confident81Confident1 Ų141.2 Ų41.21%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-114.9141.7177.4-63.40000110.4D443 V472 C473 N476D443-S488 PolarHBondContact OD1-OG 2.87Å; V472-S488 WeakPolarHBondContact CG1-O 3.44Å; C473-S488 VanDerWaalsContact CB-O 3.3Å; C473-S488 WeakPolarHBondContact CB-O 3.42Å; C473-S488 PolarHBondContact N-O 3.31Å; N476-S488 WeakPolarHBondContact ND2-CB 3.39Å; N476-S488 PolarHBondContact ND2-OG 3.23Å
489I89.3Confident81.5Confident7 Ų740.2 Ų40.24%0.03622%0.224CC..BIsolated β-bridgetrans-69.2139176.8-61.2170.8000109.3P171 L354 R446 M448 T493 I495P171-I489 HydrophobicContact CG-CD1 4.34Å; L354-I489 HydrophobicContact CD1-CD1 3.98Å; R446-I489 PolarHBondContact O-N 3.34Å; M448-I489 HydrophobicContact SD-CG1 3.85Å; I489-T493 HydrophobicContact CG2-CG2 3.6Å; I489-I495 HydrophobicContact CD1-CD1 3.86Å
490A89.4Confident82.3Confident0 Ų034.9 Ų34.90%021%0.205CC..  trans-69.4161177.700000112.1T471 S492 T493 E657T471-A490 WeakPolarHBondContact O-CB 3.21Å; T471-A490 PolarHBondContact O-N 2.86Å; A490-S492 PolarHBondContact O-N 2.94Å; A490-T493 WeakPolarHBondContact O-CB 3.47Å; A490-T493 PolarHBondContact O-N 2.59Å; A490-E657 VanDerWaalsContact CB-O 3.3Å; A490-E657 WeakPolarHBondContact CB-O 3.41Å
491L86Confident83.1Confident34 Ų3433.6 Ų33.618%0.17819%0.188CC..THydrogen-bonded Turntrans-63.8-43.7-167.3-170.773000113.8L22 L26 L31 T493 T656 L658L22-L491 HydrophobicContact CD2-CD2 4.19Å; L26-L491 HydrophobicContact CD1-CD2 4.2Å; L26-L491 HydrophobicContact CD1-CG 4.5Å; L26-L491 HydrophobicContact CD2-CD1 4.4Å; L26-L491 HydrophobicContact CD2-CG 4.17Å; L31-L491 HydrophobicContact CD1-CD1 3.96Å; L31-L491 HydrophobicContact CD2-CD1 3.55Å; L31-L491 HydrophobicContact CD2-CG 4.27Å; L31-L491 HydrophobicContact CG-CD1 4.41Å; L491-T493 VanDerWaalsContact C-N 3.26Å; L491-T493 PolarHBondContact O-N 3.43Å; L491-T656 PolarHBondContact N-O 3.06Å; L491-T656 VanDerWaalsContact N-O 3.14Å; L491-L658 WeakPolarHBondContact CB-O 3.33Å
492S84.9Confident84.4Confident6 Ų634.7 Ų34.74%0.04219%0.194CC..THydrogen-bonded Turntrans-81.8-4.3-17959.30000114A490 K587 P588 T656A490-S492 PolarHBondContact O-N 2.94Å; S492-K587 WeakPolarHBondContact OG-CE 3.33Å; S492-K587 PolarHBondContact OG-NZ 2.89Å; S492-P588 WeakPolarHBondContact O-CD 3.31Å; S492-T656 WeakPolarHBondContact OG-CB 3.4Å; S492-T656 PolarHBondContact OG-OG1 3.45Å
493T89.3Confident85.4Confident2 Ų237.6 Ų37.61%0.01220%0.202CC..  trans-80.6130.9-172.1-59.70000110.3R446 K470 T471 I489 A490 L491 V585R446-T493 PolarHBondContact NH1-O 3.32Å; R446-T493 VanDerWaalsContact NH1-O 3.1Å; K470-T493 PolarHBondContact O-OG1 2.96Å; T471-T493 WeakPolarHBondContact CA-OG1 3.45Å; T471-T493 PolarHBondContact O-OG1 2.84Å; I489-T493 HydrophobicContact CG2-CG2 3.6Å; A490-T493 WeakPolarHBondContact O-CB 3.47Å; A490-T493 PolarHBondContact O-N 2.59Å; L491-T493 VanDerWaalsContact C-N 3.26Å; L491-T493 PolarHBondContact O-N 3.43Å; T493-V585 HydrophobicContact CG2-CG1 3.1Å
494C89.6Confident86.6Confident1 Ų134.8 Ų34.81%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-115.3161.5172.965.30000110.4D34 C586 Y625D34-C494 WeakPolarHBondContact OD2-CA 3.46Å; C494-C586 PolarHBondContact N-O 3.09Å; C494-C586 PolarHBondContact O-N 3.43Å; C494-C586 VanDerWaalsContact O-O 3.11Å; C494-C586 VanDerWaalsContact SG-CB 3.53Å; C494-C586 PolarHBondContact SG-O 3.43Å; C494-C586 VanDerWaalsContact SG-O 3.41Å; C494-Y625 HydrophobicContact CB-CE1 4.33Å; C494-Y625 WeakPolarHBondContact SG-CD1 3.48Å; C494-Y625 WeakPolarHBondContact SG-CE1 3.47Å
495I92Very high88.3Confident9 Ų932.6 Ų32.65%0.04618%0.176CC..EExtended strand (participates in β ladder)trans-110.8130.7178.3-52.3175.3000107.9D34 L354 L356 I489 S497 R584D34-I495 HydrophobicContact CB-CB 4.23Å; D34-I495 HydrophobicContact CB-CD1 4.35Å; D34-I495 HydrophobicContact CB-CG1 4.4Å; D34-I495 PolarHBondContact OD2-N 3.04Å; D34-I495 VanDerWaalsContact OD2-N 3.12Å; L354-I495 HydrophobicContact CD1-CD1 3.82Å; L354-I495 HydrophobicContact CD1-CG1 4.2Å; L356-I495 HydrophobicContact CD1-CB 4.2Å; L356-I495 HydrophobicContact CD1-CD1 4.3Å; L356-I495 HydrophobicContact CD1-CG2 3.83Å; L356-I495 HydrophobicContact CD2-CD1 3.43Å; L356-I495 VanDerWaalsContact CD2-CD1 3.43Å; L356-I495 HydrophobicContact CD2-CG2 4.32Å; L356-I495 HydrophobicContact CG-CD1 4.4Å; L356-I495 HydrophobicContact CG-CG2 4.25Å; I489-I495 HydrophobicContact CD1-CD1 3.86Å; I495-S497 PolarHBondContact O-N 2.7Å; I495-R584 CarbonylContact C-O 3.36Å; I495-R584 WeakPolarHBondContact CA-O 3.29Å
496S92.5Very high89.7Confident3 Ų334.4 Ų34.42%0.02119%0.192CC..PPolyproline II helixtrans-62.4137.9-176.566.50000111.5E581 A582 G583 R584S496-E581 PolarHBondContact OG-O 3.18Å; S496-A582 CarbonylContact O-C 3.56Å; S496-A582 VanDerWaalsContact O-CA 3.26Å; S496-A582 WeakPolarHBondContact O-CA 3.38Å; S496-A582 WeakPolarHBondContact O-CB 3.47Å; S496-A582 WeakPolarHBondContact OG-CA 3.37Å; S496-G583 PolarHBondContact O-N 3.35Å; S496-G583 PolarHBondContact OG-N 3.19Å; S496-G583 VanDerWaalsContact OG-N 3.15Å; S496-R584 PolarHBondContact N-O 3.38Å; S496-R584 WeakPolarHBondContact OG-CB 3.42Å; S496-R584 PolarHBondContact OG-N 2.96Å
497S88.6Confident90.7Very high34 Ų3435.3 Ų35.324%0.23820%0.197CC..PPolyproline II helixtrans-87.6162.9162.662.60000110.7I495 G499 H562 F564I495-S497 PolarHBondContact O-N 2.7Å; S497-G499 PolarHBondContact O-N 3.17Å; S497-H562 PolarHBondContact OG-CE1 3.49Å; S497-H562 VanDerWaalsContact OG-CE1 3.31Å; S497-F564 WeakPolarHBondContact OG-CD2 3.33Å
498E88.2Confident91.4Very high103 Ų10333.8 Ų33.848%0.48119%0.187SC..PPolyproline II helixtrans-66.5128.6-179.2-166.364.3-153.300110.4A582E498-A582 HydrophobicContact CB-CB 4.24Å; E498-A582 WeakPolarHBondContact OE2-CB 3.36Å; E498-A582 PolarHBondContact OE2-N 3.13Å
499G88.6Confident91.8Very high12 Ų1237.3 Ų37.312%0.12420%0.202CC..PPolyproline II helixtrans-98.4168.7175.400000113.1S497 A501 T580S497-G499 PolarHBondContact O-N 3.17Å; G499-A501 PolarHBondContact O-N 3.1Å; G499-T580 PolarHBondContact N-O 3.19Å
500D91.9Very high92.1Very high90 Ų9043.9 Ų43.948%0.48124%0.237SC..  trans-81.4101.2175.5-173.3-14.8000111E502 K503 L504D500-E502 PolarHBondContact OD1-N 2.86Å; D500-K503 HydrophobicContact CB-CB 4.07Å; D500-K503 VanDerWaalsContact CG-CB 3.47Å; D500-K503 PolarHBondContact OD1-N 2.86Å; D500-K503 WeakPolarHBondContact OD2-CB 3.37Å; D500-L504 PolarHBondContact O-N 3.03Å
501A92.3Very high92.4Very high30 Ų3045.4 Ų45.425%0.24825%0.245CC..Hα-helixtrans-70.6-33.4178.300000112.6G499 L504 V505G499-A501 PolarHBondContact O-N 3.1Å; A501-L504 PolarHBondContact O-N 3.28Å; A501-V505 WeakPolarHBondContact O-CG2 3.42Å; A501-V505 PolarHBondContact O-N 3.09Å
502E93.4Very high92.8Very high164 Ų16445.6 Ų45.677%0.76626%0.255SS*.Hα-helixtrans-67.9-43.6-178-65.3-177.6-179.100110.5D500 L504 V505 A506D500-E502 PolarHBondContact OD1-N 2.86Å; E502-L504 VanDerWaalsContact C-N 3.32Å; E502-L504 PolarHBondContact O-N 2.96Å; E502-V505 PolarHBondContact O-N 2.93Å; E502-A506 PolarHBondContact O-N 2.68Å
503K94.9Very high93.3Very high104 Ų10445.5 Ų45.545%0.45225%0.254SS..Hα-helixtrans-61-40.4174.4-172.9-179.9-171.1-175.40112.4D500 T507 C560 L561D500-K503 HydrophobicContact CB-CB 4.07Å; D500-K503 VanDerWaalsContact CG-CB 3.47Å; D500-K503 PolarHBondContact OD1-N 2.86Å; D500-K503 WeakPolarHBondContact OD2-CB 3.37Å; K503-T507 PolarHBondContact O-N 3.32Å; K503-T507 PolarHBondContact O-OG1 2.97Å; K503-C560 VanDerWaalsContact CE-O 3.24Å; K503-C560 WeakPolarHBondContact CE-O 3.28Å; K503-C560 PolarHBondContact NZ-O 2.85Å; K503-L561 HydrophobicContact CG-CD2 4.45Å
504L95.7Very high93.5Very high0 Ų050 Ų500%028%0.275CS..Hα-helixtrans-63.2-47.1176.4174.764.9000111.1D500 A501 E502 A506 T507 L508 V534 I552 L561 V565 F578 T580D500-L504 PolarHBondContact O-N 3.03Å; A501-L504 PolarHBondContact O-N 3.28Å; E502-L504 VanDerWaalsContact C-N 3.32Å; E502-L504 PolarHBondContact O-N 2.96Å; L504-A506 PolarHBondContact O-N 3.34Å; L504-T507 WeakPolarHBondContact O-CB 3.34Å; L504-T507 PolarHBondContact O-N 3.21Å; L504-L508 HydrophobicContact CD1-CD1 4.44Å; L504-L508 HydrophobicContact CD1-CG 4.37Å; L504-L508 HydrophobicContact CG-CD1 4.16Å; L504-L508 WeakPolarHBondContact O-CG 3.47Å; L504-L508 PolarHBondContact O-N 3.33Å; L504-V534 HydrophobicContact CD2-CG1 3.89Å; L504-V534 HydrophobicContact CD2-CG2 4.47Å; L504-I552 HydrophobicContact CD1-CD1 3.9Å; L504-I552 HydrophobicContact CD1-CG2 4.33Å; L504-L561 HydrophobicContact CD1-CD1 4.08Å; L504-V565 HydrophobicContact CD1-CG1 4.14Å; L504-V565 HydrophobicContact CD2-CG1 4.16Å; L504-F578 HydrophobicContact CD2-CB 3.79Å; L504-F578 HydrophobicContact CD2-CG 4.4Å; L504-T580 HydrophobicContact CB-CG2 4.46Å; L504-T580 HydrophobicContact CD2-CG2 3.46Å; L504-T580 VanDerWaalsContact CD2-CG2 3.46Å
505V96Very high93.8Very high35 Ų3551.8 Ų51.821%0.21229%0.285CS..Hα-helixtrans-60.6-44.1178.81690000111.4A501 E502 T507 L508 F509 V534 V539A501-V505 WeakPolarHBondContact O-CG2 3.42Å; A501-V505 PolarHBondContact O-N 3.09Å; E502-V505 PolarHBondContact O-N 2.93Å; V505-T507 VanDerWaalsContact C-N 3.34Å; V505-T507 PolarHBondContact O-N 3.4Å; V505-L508 WeakPolarHBondContact O-CB 3.47Å; V505-L508 PolarHBondContact O-N 3.2Å; V505-F509 HydrophobicContact CG1-CD2 3.9Å; V505-F509 HydrophobicContact CG1-CE2 3.34Å; V505-F509 HydrophobicContact CG1-CZ 4.09Å; V505-F509 VanDerWaalsContact O-CD2 3.23Å; V505-F509 WeakPolarHBondContact O-CD2 3.13Å; V505-F509 PolarHBondContact O-N 3.36Å; V505-F509 VanDerWaalsContact O-N 3.15Å; V505-V534 HydrophobicContact CG2-CB 4.38Å; V505-V534 HydrophobicContact CG2-CG1 4.29Å; V505-V534 HydrophobicContact CG2-CG2 4.14Å; V505-V539 HydrophobicContact CG1-CG1 3.87Å; V505-V539 HydrophobicContact CG2-CG1 4.37Å; V505-V539 HydrophobicContact CG2-CG2 4.12Å
506A96.3Very high93.8Very high51 Ų5151.4 Ų51.442%0.42128%0.283SS..Hα-helixtrans-58.6-45.7174.600000112E502 L504 L508 F509 D510E502-A506 PolarHBondContact O-N 2.68Å; L504-A506 PolarHBondContact O-N 3.34Å; A506-L508 VanDerWaalsContact C-N 3.3Å; A506-L508 PolarHBondContact O-N 2.77Å; A506-F509 PolarHBondContact O-N 3.44Å; A506-D510 PolarHBondContact O-N 3.14Å; A506-D510 VanDerWaalsContact O-N 3.08Å
507T95.9Very high93.7Very high24 Ų2453.9 Ų53.915%0.14730%0.295CS..Hα-helixtrans-62.2-36.9177.9-51.30000112K503 L504 V505 D510 L511 I552 F555K503-T507 PolarHBondContact O-N 3.32Å; K503-T507 PolarHBondContact O-OG1 2.97Å; L504-T507 WeakPolarHBondContact O-CB 3.34Å; L504-T507 PolarHBondContact O-N 3.21Å; V505-T507 VanDerWaalsContact C-N 3.34Å; V505-T507 PolarHBondContact O-N 3.4Å; T507-D510 PolarHBondContact O-N 3.41Å; T507-L511 HydrophobicContact CG2-CD1 4.38Å; T507-L511 WeakPolarHBondContact O-CG 3.42Å; T507-L511 PolarHBondContact O-N 3.49Å; T507-I552 HydrophobicContact CG2-CD1 4.08Å; T507-F555 HydrophobicContact CG2-CD2 4.15Å; T507-F555 HydrophobicContact CG2-CE2 4.3Å
508L96.8Very high93.9Very high0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-64.7-41.4177.2-73169.1000111.8L504 V505 A506 L511 G512 V513 V532 V534 I548 I552 F578L504-L508 HydrophobicContact CD1-CD1 4.44Å; L504-L508 HydrophobicContact CD1-CG 4.37Å; L504-L508 HydrophobicContact CG-CD1 4.16Å; L504-L508 WeakPolarHBondContact O-CG 3.47Å; L504-L508 PolarHBondContact O-N 3.33Å; V505-L508 WeakPolarHBondContact O-CB 3.47Å; V505-L508 PolarHBondContact O-N 3.2Å; A506-L508 VanDerWaalsContact C-N 3.3Å; A506-L508 PolarHBondContact O-N 2.77Å; L508-L511 PolarHBondContact O-N 2.88Å; L508-G512 PolarHBondContact O-N 3.47Å; L508-V513 HydrophobicContact CB-CB 4.26Å; L508-V513 HydrophobicContact CB-CG2 4.02Å; L508-V513 HydrophobicContact CD2-CG2 4.18Å; L508-V513 VanDerWaalsContact O-CB 3.24Å; L508-V513 WeakPolarHBondContact O-CB 3.47Å; L508-V513 WeakPolarHBondContact O-CG2 3.12Å; L508-V513 PolarHBondContact O-N 3.4Å; L508-V532 HydrophobicContact CD1-CG1 4.07Å; L508-V534 HydrophobicContact CD1-CG2 3.62Å; L508-I548 HydrophobicContact CD2-CG2 3.84Å; L508-I552 HydrophobicContact CD2-CD1 3.91Å; L508-I552 HydrophobicContact CD2-CG1 3.96Å; L508-I552 HydrophobicContact CG-CD1 4.42Å; L508-F578 HydrophobicContact CD1-CD2 3.95Å; L508-F578 HydrophobicContact CD1-CE2 4.14Å; L508-F578 HydrophobicContact CD2-CD2 4.16Å; L508-F578 HydrophobicContact CD2-CE2 3.54Å; L508-F578 HydrophobicContact CD2-CZ 3.76Å
509F96.6Very high93.9Very high75 Ų7554.2 Ų54.233%0.32930%0.297SS..Hα-helixtrans-64.6-41.4175.1-68-51.5000111.8V505 A506 L511 G512 V513 D515 V539V505-F509 HydrophobicContact CG1-CD2 3.9Å; V505-F509 HydrophobicContact CG1-CE2 3.34Å; V505-F509 HydrophobicContact CG1-CZ 4.09Å; V505-F509 VanDerWaalsContact O-CD2 3.23Å; V505-F509 WeakPolarHBondContact O-CD2 3.13Å; V505-F509 PolarHBondContact O-N 3.36Å; V505-F509 VanDerWaalsContact O-N 3.15Å; A506-F509 PolarHBondContact O-N 3.44Å; F509-L511 VanDerWaalsContact C-N 3.25Å; F509-L511 PolarHBondContact O-N 3.37Å; F509-G512 PolarHBondContact O-N 3Å; F509-V513 WeakPolarHBondContact CD1-O 3.34Å; F509-D515 HydrophobicContact CE1-CB 3.98Å; F509-D515 HydrophobicContact CZ-CB 4.35Å; F509-V539 HydrophobicContact CE1-CG1 4.12Å; F509-V539 HydrophobicContact CE2-CG1 4.3Å; F509-V539 HydrophobicContact CZ-CG1 3.65Å
510D95.6Very high93.9Very high145 Ų14559.6 Ų59.678%0.77532%0.317SS*.Hα-helixtrans-62.8-31.4176-69-24.1000112.8A506 T507 G512A506-D510 PolarHBondContact O-N 3.14Å; A506-D510 VanDerWaalsContact O-N 3.08Å; T507-D510 PolarHBondContact O-N 3.41Å; D510-G512 PolarHBondContact O-N 3.12Å
511L95.2Very high93.4Very high32 Ų3255.6 Ų55.617%0.16830%0.296CS..THydrogen-bonded Turntrans-76.4-4.7175.1-76.9176000114.3T507 L508 F509 R544 D551 I552 F555T507-L511 HydrophobicContact CG2-CD1 4.38Å; T507-L511 WeakPolarHBondContact O-CG 3.42Å; T507-L511 PolarHBondContact O-N 3.49Å; L508-L511 PolarHBondContact O-N 2.88Å; F509-L511 VanDerWaalsContact C-N 3.25Å; F509-L511 PolarHBondContact O-N 3.37Å; L511-R544 PolarHBondContact O-NH2 3.48Å; L511-D551 HydrophobicContact CD1-CB 3.81Å; L511-D551 HydrophobicContact CD2-CB 3.92Å; L511-I552 HydrophobicContact CD1-CD1 3.73Å; L511-I552 HydrophobicContact CD1-CG1 4.01Å; L511-F555 HydrophobicContact CD1-CD2 4.37Å; L511-F555 HydrophobicContact CD1-CE2 4.04Å; L511-F555 HydrophobicContact CD2-CE2 3.94Å; L511-F555 HydrophobicContact CG-CE2 4.24Å
512G93.8Very high93.1Very high37 Ų3756.9 Ų56.938%0.38130%0.297SS..THydrogen-bonded Turntrans89.825.8179.300000114.3L508 F509 D510L508-G512 PolarHBondContact O-N 3.47Å; F509-G512 PolarHBondContact O-N 3Å; D510-G512 PolarHBondContact O-N 3.12Å
513V95.5Very high92.7Very high5 Ų551.4 Ų51.43%0.0327%0.271CS..PPolyproline II helixtrans-70.6132.1157.1177.80000107.6L508 F509 V532 I548L508-V513 HydrophobicContact CB-CB 4.26Å; L508-V513 HydrophobicContact CB-CG2 4.02Å; L508-V513 HydrophobicContact CD2-CG2 4.18Å; L508-V513 VanDerWaalsContact O-CB 3.24Å; L508-V513 WeakPolarHBondContact O-CB 3.47Å; L508-V513 WeakPolarHBondContact O-CG2 3.12Å; L508-V513 PolarHBondContact O-N 3.4Å; F509-V513 WeakPolarHBondContact CD1-O 3.34Å; V513-V532 HydrophobicContact CG1-CB 4.14Å; V513-V532 HydrophobicContact CG1-CG1 4.45Å; V513-V532 HydrophobicContact CG1-CG2 3.99Å; V513-V532 HydrophobicContact CG2-CG2 4.14Å; V513-I548 HydrophobicContact CG2-CD1 3.74Å; V513-I548 HydrophobicContact CG2-CG2 4.37Å
514E94.7Very high92Very high96 Ų9646.6 Ų46.645%0.44925%0.25SS..EExtended strand (participates in β ladder)trans-98.9140.2177.6-67.5178.2-172.500109.8V516 F519 G540 A541E514-V516 PolarHBondContact O-N 3.17Å; E514-F519 HydrophobicContact CB-CE2 3.56Å; E514-F519 HydrophobicContact CB-CZ 3.61Å; E514-F519 HydrophobicContact CG-CZ 4.38Å; E514-F519 WeakPolarHBondContact OE2-CZ 3.47Å; E514-G540 CarbonylContact O-C 3.6Å; E514-G540 WeakPolarHBondContact O-CA 3.48Å; E514-A541 PolarHBondContact N-O 3.23Å; E514-A541 VanDerWaalsContact N-O 3.14Å; E514-A541 PolarHBondContact O-N 3.42Å
515D94.5Very high91.2Very high39 Ų3948 Ų4821%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-61.1133.3178.8-169.5-29.7000110.2R321 F509 L517 L518 F519R321-D515 IonicContact CZ-OD1 3.44Å; R321-D515 IonicContact NH2-OD1 2.8Å; R321-D515 PolarHBondContact NH2-OD1 3.1Å; R321-D515 IonicContact NH2-OD2 3.91Å; R321-D515 PolarHBondContact NH2-OD2 3.22Å; F509-D515 HydrophobicContact CE1-CB 3.98Å; F509-D515 HydrophobicContact CZ-CB 4.35Å; D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 WeakPolarHBondContact OD1-CG 3.04Å; D515-L517 PolarHBondContact OD1-N 2.9Å; D515-L518 HydrophobicContact CB-CD1 4.32Å; D515-L518 HydrophobicContact CB-CG 4.29Å; D515-L518 WeakPolarHBondContact O-CB 3.12Å; D515-L518 PolarHBondContact O-N 3.43Å; D515-F519 WeakPolarHBondContact O-CD2 3.47Å
516V92.3Very high90.2Very high1 Ų152.2 Ų52.21%0.00628%0.275CS..THydrogen-bonded Turntrans-57.4-26-178.773.10000112.4R321 V324 E514 L518 L524 V538 V539R321-V516 HydrophobicContact CG-CG1 4.17Å; V324-V516 HydrophobicContact CB-CG2 4.5Å; V324-V516 HydrophobicContact CG1-CG2 3.86Å; V324-V516 HydrophobicContact CG2-CG2 4.35Å; E514-V516 PolarHBondContact O-N 3.17Å; V516-L518 VanDerWaalsContact C-N 3.31Å; V516-L518 PolarHBondContact O-N 3Å; V516-L524 HydrophobicContact CG2-CD1 4.34Å; V516-V538 HydrophobicContact CB-CG1 4.33Å; V516-V538 HydrophobicContact CG1-CG1 4.42Å; V516-V538 HydrophobicContact CG2-CG1 4.04Å; V516-V539 PolarHBondContact N-O 2.87Å
517L91.8Very high89.3Confident54 Ų5454 Ų5428%0.28328%0.277SS..THydrogen-bonded Turntrans-71.5-22179.2-63.1178.4000113.6R320 R321 D515 F519R320-L517 HydrophobicContact CB-CD2 3.85Å; R320-L517 HydrophobicContact CG-CD2 3.96Å; R321-L517 HydrophobicContact CB-CD2 4.14Å; D515-L517 PolarHBondContact O-N 3.36Å; D515-L517 WeakPolarHBondContact OD1-CG 3.04Å; D515-L517 PolarHBondContact OD1-N 2.9Å; L517-F519 VanDerWaalsContact C-N 3.34Å
518L91.7Very high88.7Confident135 Ų13554.3 Ų54.371%0.70729%0.286SS*.THydrogen-bonded Turntrans-75.2-26.3179.3-63.9174.9000112.5D515 V516D515-L518 HydrophobicContact CB-CD1 4.32Å; D515-L518 HydrophobicContact CB-CG 4.29Å; D515-L518 WeakPolarHBondContact O-CB 3.12Å; D515-L518 PolarHBondContact O-N 3.43Å; V516-L518 VanDerWaalsContact C-N 3.31Å; V516-L518 PolarHBondContact O-N 3Å
519F89.3Confident88.5Confident9 Ų956 Ų564%0.03929%0.292CS..SBendtrans-78141.8-178.1-65.5-84.3000112.3R320 E514 D515 L517 E523 L524 Y529 A541R320-F519 PolarHBondContact NH2-O 3.37Å; E514-F519 HydrophobicContact CB-CE2 3.56Å; E514-F519 HydrophobicContact CB-CZ 3.61Å; E514-F519 HydrophobicContact CG-CZ 4.38Å; E514-F519 WeakPolarHBondContact OE2-CZ 3.47Å; D515-F519 WeakPolarHBondContact O-CD2 3.47Å; L517-F519 VanDerWaalsContact C-N 3.34Å; F519-E523 WeakPolarHBondContact CA-OE2 3.42Å; F519-E523 HydrophobicContact CD1-CB 4.22Å; F519-L524 HydrophobicContact CB-CD1 4.25Å; F519-L524 HydrophobicContact CB-CD2 3.83Å; F519-L524 HydrophobicContact CB-CG 3.82Å; F519-L524 HydrophobicContact CD1-CD2 4.13Å; F519-L524 HydrophobicContact CD2-CD2 3.84Å; F519-L524 HydrophobicContact CE2-CD2 4.43Å; F519-L524 HydrophobicContact CG-CD2 3.65Å; F519-L524 HydrophobicContact CG-CG 4.16Å; F519-Y529 HydrophobicContact CE1-CD1 4.18Å; F519-Y529 HydrophobicContact CE1-CD2 4.39Å; F519-Y529 AromaticContact CE1-CE1 3.64Å; F519-Y529 HydrophobicContact CE1-CE1 3.64Å; F519-Y529 AromaticContact CE1-CE2 3.89Å; F519-Y529 HydrophobicContact CE1-CE2 3.89Å; F519-Y529 AromaticContact CE1-CZ 3.52Å; F519-Y529 HydrophobicContact CZ-CD1 4.11Å; F519-Y529 AromaticContact CZ-CE1 3.69Å; F519-Y529 HydrophobicContact CZ-CE1 3.69Å; F519-A541 HydrophobicContact CD2-CB 4.38Å; F519-A541 HydrophobicContact CE2-CB 3.81Å; F519-A541 HydrophobicContact CZ-CB 4.11Å
520K87.3Confident88.4Confident125 Ų12554.8 Ų54.854%0.54329%0.286SS..  trans-74.1148.1160.1-62177.1-173.7164.10109.2H522 E523K520-H522 PolarHBondContact O-N 3.33Å; K520-E523 HydrophobicContact CB-CG 4.11Å; K520-E523 PolarHBondContact N-OE2 3.09Å; K520-E523 WeakPolarHBondContact O-CB 3.46Å; K520-E523 PolarHBondContact O-N 3.18Å
521S83Confident88.3Confident7 Ų748.5 Ų48.55%0.04925%0.251CS..THydrogen-bonded Turntrans-58.1-27.6-172.2-50.60000114.6E241E241-S521 VanDerWaalsContact CG-OG 3.25Å; E241-S521 WeakPolarHBondContact CG-OG 3.2Å; E241-S521 PolarHBondContact OE1-OG 2.71Å
522H84.3Confident88.4Confident56 Ų5647 Ų4726%0.25924%0.243SC..THydrogen-bonded Turntrans-77.5-31.2176.965.5-84.1000113.5Y244 K520 L524 L525 E526Y244-H522 HydrophobicContact CD1-CB 3.64Å; Y244-H522 HydrophobicContact CD2-CB 4.1Å; Y244-H522 HydrophobicContact CE1-CB 3.71Å; Y244-H522 HydrophobicContact CE2-CB 4.11Å; Y244-H522 HydrophobicContact CG-CB 3.9Å; K520-H522 PolarHBondContact O-N 3.33Å; H522-L524 VanDerWaalsContact C-N 3.29Å; H522-L524 PolarHBondContact O-N 2.97Å; H522-L525 PolarHBondContact O-N 3.3Å; H522-E526 IonicContact CD2-OE2 3.48Å; H522-E526 WeakPolarHBondContact O-CG 3.24Å; H522-E526 PolarHBondContact O-N 3.44Å; H522-E526 VanDerWaalsContact O-N 3.13Å
523E84.8Confident88.5Confident50 Ų5045.4 Ų45.423%0.23423%0.226CC..Hα-helixtrans-64.9-34.1-174-67.3167.3173.500111.9F519 K520 L525 N527 Y529F519-E523 WeakPolarHBondContact CA-OE2 3.42Å; F519-E523 HydrophobicContact CD1-CB 4.22Å; K520-E523 HydrophobicContact CB-CG 4.11Å; K520-E523 PolarHBondContact N-OE2 3.09Å; K520-E523 WeakPolarHBondContact O-CB 3.46Å; K520-E523 PolarHBondContact O-N 3.18Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.15Å; E523-N527 WeakPolarHBondContact O-CB 3.44Å; E523-N527 PolarHBondContact O-N 3.13Å; E523-N527 PolarHBondContact O-ND2 2.82Å; E523-Y529 WeakPolarHBondContact O-CD2 3.49Å
524L81.3Confident88.6Confident2 Ų245.5 Ų45.51%0.0123%0.227CC..Hα-helixtrans-63.5-37.1179.8-66.6166.8000112.3V516 F519 H522 Y531 A541V516-L524 HydrophobicContact CG2-CD1 4.34Å; F519-L524 HydrophobicContact CB-CD1 4.25Å; F519-L524 HydrophobicContact CB-CD2 3.83Å; F519-L524 HydrophobicContact CB-CG 3.82Å; F519-L524 HydrophobicContact CD1-CD2 4.13Å; F519-L524 HydrophobicContact CD2-CD2 3.84Å; F519-L524 HydrophobicContact CE2-CD2 4.43Å; F519-L524 HydrophobicContact CG-CD2 3.65Å; F519-L524 HydrophobicContact CG-CG 4.16Å; H522-L524 VanDerWaalsContact C-N 3.29Å; H522-L524 PolarHBondContact O-N 2.97Å; L524-Y531 HydrophobicContact CB-CE1 4.49Å; L524-Y531 HydrophobicContact CD1-CE1 3.97Å; L524-Y531 HydrophobicContact CD2-CE1 4.22Å; L524-Y531 HydrophobicContact CG-CE1 4.46Å; L524-A541 HydrophobicContact CD2-CB 3.7Å
525L78.2Confident88.5Confident31 Ų3142.2 Ų42.216%0.16221%0.212CC..Hα-helixtrans-84.3-50.4-178.1-71.2178.8000112.1Y244 T248 H522 E523 N527Y244-L525 WeakPolarHBondContact O-CD1 3.25Å; T248-L525 HydrophobicContact CG2-CD1 4.29Å; H522-L525 PolarHBondContact O-N 3.3Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.15Å; L525-N527 PolarHBondContact O-N 2.97Å
526E74.9Confident88.4Confident122 Ų12240.9 Ų40.957%0.5721%0.208SC*.Hα-helixtrans-67.1-37.6-169.9-70.8178.4177.100112.6H522 G528H522-E526 IonicContact CD2-OE2 3.48Å; H522-E526 WeakPolarHBondContact O-CG 3.24Å; H522-E526 PolarHBondContact O-N 3.44Å; H522-E526 VanDerWaalsContact O-N 3.13Å; E526-G528 PolarHBondContact O-N 3.41Å
527N77.2Confident88.5Confident89 Ų8942 Ų4248%0.47621%0.214SC..THydrogen-bonded Turntrans-90.25.4-171.1-65.1-33.8000114.2E523 L525 Y529 L543E523-N527 WeakPolarHBondContact O-CB 3.44Å; E523-N527 PolarHBondContact O-N 3.13Å; E523-N527 PolarHBondContact O-ND2 2.82Å; L525-N527 PolarHBondContact O-N 2.97Å; N527-Y529 HydrophobicContact CB-CD2 3.56Å; N527-Y529 HydrophobicContact CB-CE2 3.38Å; N527-Y529 PolarHBondContact O-N 3.02Å; N527-L543 WeakPolarHBondContact O-CD2 3.41Å
528G84.7Confident88.6Confident31 Ų3139.4 Ų39.432%0.3220%0.2SC..  trans78.215.3177.100000115.1E526E526-G528 PolarHBondContact O-N 3.41Å
529Y91.6Very high88.7Confident34 Ų3433.4 Ų33.413%0.13317%0.169CC..PPolyproline II helixtrans-59.2147.5178.1-75.9-88.2000113.1F519 E523 N527 A541 L543 R574F519-Y529 HydrophobicContact CE1-CD1 4.18Å; F519-Y529 HydrophobicContact CE1-CD2 4.39Å; F519-Y529 AromaticContact CE1-CE1 3.64Å; F519-Y529 HydrophobicContact CE1-CE1 3.64Å; F519-Y529 AromaticContact CE1-CE2 3.89Å; F519-Y529 HydrophobicContact CE1-CE2 3.89Å; F519-Y529 AromaticContact CE1-CZ 3.52Å; F519-Y529 HydrophobicContact CZ-CD1 4.11Å; F519-Y529 AromaticContact CZ-CE1 3.69Å; F519-Y529 HydrophobicContact CZ-CE1 3.69Å; E523-Y529 WeakPolarHBondContact O-CD2 3.49Å; N527-Y529 HydrophobicContact CB-CD2 3.56Å; N527-Y529 HydrophobicContact CB-CE2 3.38Å; N527-Y529 PolarHBondContact O-N 3.02Å; Y529-A541 HydrophobicContact CD1-CB 3.98Å; Y529-A541 HydrophobicContact CG-CB 4.35Å; Y529-L543 HydrophobicContact CD1-CD2 3.87Å; Y529-L543 HydrophobicContact CD1-CG 3.79Å; Y529-L543 HydrophobicContact CD2-CD2 3.95Å; Y529-L543 HydrophobicContact CE1-CD1 4.03Å; Y529-L543 HydrophobicContact CE1-CD2 3.95Å; Y529-L543 HydrophobicContact CE1-CG 3.5Å; Y529-L543 HydrophobicContact CE2-CD1 4.46Å; Y529-L543 HydrophobicContact CE2-CD2 4.02Å; Y529-L543 HydrophobicContact CE2-CG 4.29Å; Y529-L543 HydrophobicContact CG-CD2 3.84Å; Y529-L543 HydrophobicContact CG-CG 4.28Å; Y529-R574 PolarHBondContact O-NE 3.41Å; Y529-R574 PolarHBondContact O-NH2 2.92Å
530Y94.2Very high88.9Confident51 Ų5133 Ų3320%0.217%0.167CC..EExtended strand (participates in β ladder)trans-103.3132.8168.9-78.1-115.7000109.1A541 T542 P545 L569 R574Y530-A541 CarbonylContact O-C 3.51Å; Y530-A541 VanDerWaalsContact O-CA 3.24Å; Y530-A541 WeakPolarHBondContact O-CA 3.49Å; Y530-T542 PolarHBondContact N-O 3.38Å; Y530-T542 PolarHBondContact O-N 2.92Å; Y530-P545 HydrophobicContact CD1-CB 3.99Å; Y530-P545 HydrophobicContact CD1-CG 3.94Å; Y530-P545 HydrophobicContact CD2-CB 4.43Å; Y530-P545 HydrophobicContact CD2-CG 3.78Å; Y530-P545 HydrophobicContact CE1-CG 4.17Å; Y530-P545 HydrophobicContact CE2-CG 4.02Å; Y530-P545 HydrophobicContact CG-CB 3.93Å; Y530-P545 HydrophobicContact CG-CG 3.75Å; Y530-L569 HydrophobicContact CD1-CD1 3.84Å; Y530-L569 HydrophobicContact CE1-CD1 3.85Å; Y530-R574 CarbonylContact C-O 3.58Å; Y530-R574 WeakPolarHBondContact CA-O 3.39Å; Y530-R574 VanDerWaalsContact CD1-CA 3.47Å; Y530-R574 HydrophobicContact CD1-CB 4.1Å; Y530-R574 HydrophobicContact CE1-CB 4.15Å; Y530-R574 HydrophobicContact CE1-CG 4.29Å; Y530-R574 HydrophobicContact CG-CB 4.34Å
531Y95Very high89.3Confident12 Ų1227 Ų275%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-72.8139.1174.4-67.8-81.8000110.6V324 L328 L524 V538 R574 C575 V576V324-Y531 HydrophobicContact CG1-CE1 4.05Å; L328-Y531 HydrophobicContact CD1-CD2 4.12Å; L328-Y531 HydrophobicContact CD1-CE2 4.25Å; L524-Y531 HydrophobicContact CB-CE1 4.49Å; L524-Y531 HydrophobicContact CD1-CE1 3.97Å; L524-Y531 HydrophobicContact CD2-CE1 4.22Å; L524-Y531 HydrophobicContact CG-CE1 4.46Å; Y531-V538 HydrophobicContact CD1-CG1 4.08Å; Y531-R574 PolarHBondContact N-O 2.71Å; Y531-C575 CarbonylContact O-C 3.38Å; Y531-C575 VanDerWaalsContact O-CA 3.29Å; Y531-C575 WeakPolarHBondContact O-CA 3.47Å; Y531-V576 PolarHBondContact O-N 3.26Å
532V96.6Very high89.9Confident0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-107.5114.7175.5178.50000108.6L508 V513 V539 G540 T542 V576 F578L508-V532 HydrophobicContact CD1-CG1 4.07Å; V513-V532 HydrophobicContact CG1-CB 4.14Å; V513-V532 HydrophobicContact CG1-CG1 4.45Å; V513-V532 HydrophobicContact CG1-CG2 3.99Å; V513-V532 HydrophobicContact CG2-CG2 4.14Å; V532-V539 PolarHBondContact O-N 3.33Å; V532-G540 PolarHBondContact N-O 3.47Å; V532-G540 PolarHBondContact O-N 3.24Å; V532-T542 HydrophobicContact CG2-CG2 3.83Å; V532-V576 HydrophobicContact CG2-CB 4.47Å; V532-F578 HydrophobicContact CG1-CD2 3.85Å; V532-F578 HydrophobicContact CG1-CE2 3.71Å
533L96.4Very high90.3Very high4 Ų428.8 Ų28.82%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-110.5131.1178.8-67.290000110.8M180 L328 D537 V538 C575 V576 Y577 F578M180-L533 HydrophobicContact CE-CD2 4.44Å; L328-L533 HydrophobicContact CD2-CD1 4.22Å; L328-L533 HydrophobicContact CD2-CD2 4.24Å; L533-D537 CarbonylContact C-O 3.5Å; L533-D537 WeakPolarHBondContact CA-O 3.45Å; L533-V538 HydrophobicContact CD2-CG2 4.34Å; L533-V538 HydrophobicContact CG-CG2 4.44Å; L533-C575 HydrophobicContact CD1-CB 3.99Å; L533-V576 PolarHBondContact N-O 3.14Å; L533-Y577 HydrophobicContact CB-CD1 4.03Å; L533-Y577 HydrophobicContact CB-CE1 4.37Å; L533-Y577 HydrophobicContact CD1-CD1 4.47Å; L533-Y577 HydrophobicContact CD1-CE1 4.16Å; L533-Y577 HydrophobicContact CD2-CE1 4.12Å; L533-Y577 HydrophobicContact CG-CE1 4.46Å; L533-F578 PolarHBondContact O-N 3.44Å
534V95.9Very high90.8Very high7 Ų731.9 Ų31.94%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-116.8116.8174.2-178.30000108.1L504 V505 L508 G536 D537 V539 F578L504-V534 HydrophobicContact CD2-CG1 3.89Å; L504-V534 HydrophobicContact CD2-CG2 4.47Å; V505-V534 HydrophobicContact CG2-CB 4.38Å; V505-V534 HydrophobicContact CG2-CG1 4.29Å; V505-V534 HydrophobicContact CG2-CG2 4.14Å; L508-V534 HydrophobicContact CD1-CG2 3.62Å; V534-G536 PolarHBondContact O-N 2.79Å; V534-D537 PolarHBondContact N-O 3.42Å; V534-D537 PolarHBondContact O-N 3.21Å; V534-V539 HydrophobicContact CB-CG2 3.83Å; V534-V539 HydrophobicContact CG2-CB 4.43Å; V534-V539 HydrophobicContact CG2-CG2 3.68Å; V534-F578 WeakPolarHBondContact CA-O 3.41Å; V534-F578 HydrophobicContact CG2-CB 4.26Å; V534-F578 HydrophobicContact CG2-CD2 4.4Å
535N93.6Very high91.4Very high27 Ų2732.4 Ų32.414%0.14417%0.165CC..THydrogen-bonded Turntrans50.632.4-175.8-56.1-27000113.5N178 D537 F578 S579 T580 E581N178-N535 VanDerWaalsContact CB-O 3.25Å; N178-N535 WeakPolarHBondContact CB-O 3.45Å; N535-D537 VanDerWaalsContact C-N 3.34Å; N535-D537 PolarHBondContact O-N 3.08Å; N535-F578 PolarHBondContact N-O 3.02Å; N535-S579 WeakPolarHBondContact OD1-CA 3.2Å; N535-T580 PolarHBondContact ND2-OG1 3.01Å; N535-T580 PolarHBondContact OD1-N 3.47Å; N535-E581 HydrophobicContact CB-CG 3.98Å
536G92.2Very high92.2Very high12 Ų1236.5 Ų36.512%0.12418%0.182CC..THydrogen-bonded Turntrans82.8-2.3-177.900000116N178 H311 Y325 V534N178-G536 VanDerWaalsContact O-CA 3.31Å; N178-G536 WeakPolarHBondContact O-CA 3.48Å; H311-G536 PolarHBondContact NE2-O 2.87Å; Y325-G536 WeakPolarHBondContact CE2-O 3.44Å; V534-G536 PolarHBondContact O-N 2.79Å
537D94.2Very high93.2Very high24 Ų2435 Ų3513%0.12818%0.175CC..EExtended strand (participates in β ladder)trans-84.5139.2169.7-166.915.3000110.9V312 S313 L533 V534 N535 V539V312-D537 WeakPolarHBondContact CA-OD1 3.5Å; V312-D537 WeakPolarHBondContact CG1-OD1 3.45Å; S313-D537 WeakPolarHBondContact CB-OD2 2.99Å; S313-D537 PolarHBondContact N-OD1 2.64Å; S313-D537 PolarHBondContact N-OD2 2.95Å; S313-D537 PolarHBondContact OG-OD2 3.05Å; L533-D537 CarbonylContact C-O 3.5Å; L533-D537 WeakPolarHBondContact CA-O 3.45Å; V534-D537 PolarHBondContact N-O 3.42Å; V534-D537 PolarHBondContact O-N 3.21Å; N535-D537 VanDerWaalsContact C-N 3.34Å; N535-D537 PolarHBondContact O-N 3.08Å; D537-V539 PolarHBondContact O-N 2.78Å
538V94.4Very high94.1Very high0 Ų030.9 Ų30.90%015%0.152CC..EExtended strand (participates in β ladder)trans-85.997.6178.9-167.70000108.7R321 V324 Y325 V516 Y531 L533R321-V538 WeakPolarHBondContact CD-O 3.37Å; R321-V538 WeakPolarHBondContact CG-O 3.44Å; R321-V538 PolarHBondContact NE-O 3.25Å; V324-V538 HydrophobicContact CG1-CG1 4.36Å; Y325-V538 HydrophobicContact CD2-CG2 3.66Å; Y325-V538 HydrophobicContact CG-CG2 4.34Å; V516-V538 HydrophobicContact CB-CG1 4.33Å; V516-V538 HydrophobicContact CG1-CG1 4.42Å; V516-V538 HydrophobicContact CG2-CG1 4.04Å; Y531-V538 HydrophobicContact CD1-CG1 4.08Å; L533-V538 HydrophobicContact CD2-CG2 4.34Å; L533-V538 HydrophobicContact CG-CG2 4.44Å
539V94Very high94.5Very high8 Ų829.7 Ų29.75%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-82.1-46.7-175.5178.30000110.8V505 F509 V516 V532 V534 D537V505-V539 HydrophobicContact CG1-CG1 3.87Å; V505-V539 HydrophobicContact CG2-CG1 4.37Å; V505-V539 HydrophobicContact CG2-CG2 4.12Å; F509-V539 HydrophobicContact CE1-CG1 4.12Å; F509-V539 HydrophobicContact CE2-CG1 4.3Å; F509-V539 HydrophobicContact CZ-CG1 3.65Å; V516-V539 PolarHBondContact N-O 2.87Å; V532-V539 PolarHBondContact O-N 3.33Å; V534-V539 HydrophobicContact CB-CG2 3.83Å; V534-V539 HydrophobicContact CG2-CB 4.43Å; V534-V539 HydrophobicContact CG2-CG2 3.68Å; D537-V539 PolarHBondContact O-N 2.78Å
540G94.1Very high94.6Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-164.1-168.9-169.900000114.8E514 V532E514-G540 CarbonylContact O-C 3.6Å; E514-G540 WeakPolarHBondContact O-CA 3.48Å; V532-G540 PolarHBondContact N-O 3.47Å; V532-G540 PolarHBondContact O-N 3.24Å
541A95.1Very high94.7Very high1 Ų134.6 Ų34.61%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-137.6155175.200000111.2E514 F519 L524 Y529 Y530E514-A541 PolarHBondContact N-O 3.23Å; E514-A541 VanDerWaalsContact N-O 3.14Å; E514-A541 PolarHBondContact O-N 3.42Å; F519-A541 HydrophobicContact CD2-CB 4.38Å; F519-A541 HydrophobicContact CE2-CB 3.81Å; F519-A541 HydrophobicContact CZ-CB 4.11Å; L524-A541 HydrophobicContact CD2-CB 3.7Å; Y529-A541 HydrophobicContact CD1-CB 3.98Å; Y529-A541 HydrophobicContact CG-CB 4.35Å; Y530-A541 CarbonylContact O-C 3.51Å; Y530-A541 VanDerWaalsContact O-CA 3.24Å; Y530-A541 WeakPolarHBondContact O-CA 3.49Å
542T94.7Very high94.7Very high5 Ų534.2 Ų34.23%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-147.6149.2178.3-1750000112.9Y530 V532 R544 P545 I548Y530-T542 PolarHBondContact N-O 3.38Å; Y530-T542 PolarHBondContact O-N 2.92Å; V532-T542 HydrophobicContact CG2-CG2 3.83Å; T542-R544 PolarHBondContact OG1-N 3.19Å; T542-P545 HydrophobicContact CG2-CB 4.36Å; T542-I548 VanDerWaalsContact CB-CD1 3.48Å; T542-I548 HydrophobicContact CG2-CD1 3.63Å; T542-I548 WeakPolarHBondContact OG1-CD1 3.26Å
543L93.4Very high94.5Very high95 Ų9536 Ų3650%0.49717%0.172SC..SBendtrans-89.3-12.5169.1-66.2171.6000113.1N527 Y529 P545N527-L543 WeakPolarHBondContact O-CD2 3.41Å; Y529-L543 HydrophobicContact CD1-CD2 3.87Å; Y529-L543 HydrophobicContact CD1-CG 3.79Å; Y529-L543 HydrophobicContact CD2-CD2 3.95Å; Y529-L543 HydrophobicContact CE1-CD1 4.03Å; Y529-L543 HydrophobicContact CE1-CD2 3.95Å; Y529-L543 HydrophobicContact CE1-CG 3.5Å; Y529-L543 HydrophobicContact CE2-CD1 4.46Å; Y529-L543 HydrophobicContact CE2-CD2 4.02Å; Y529-L543 HydrophobicContact CE2-CG 4.29Å; Y529-L543 HydrophobicContact CG-CD2 3.84Å; Y529-L543 HydrophobicContact CG-CG 4.28Å; L543-P545 WeakPolarHBondContact O-CD 3.13Å
544R94.6Very high94.3Very high115 Ų11540.7 Ų40.743%0.43419%0.193SC..  trans-119.359.2-172.8-58.9-179-60.5138.4-0.3111.4L511 T542 K546 E547 I548L511-R544 PolarHBondContact O-NH2 3.48Å; T542-R544 PolarHBondContact OG1-N 3.19Å; R544-K546 VanDerWaalsContact C-N 3.31Å; R544-K546 PolarHBondContact O-N 3.5Å; R544-E547 HydrophobicContact CB-CB 4.29Å; R544-E547 HydrophobicContact CB-CG 4.49Å; R544-E547 WeakPolarHBondContact CD-OE2 3.43Å; R544-E547 IonicContact CZ-OE2 3.63Å; R544-E547 IonicContact NE-OE2 3.03Å; R544-E547 IonicContact NH1-OE2 2.85Å; R544-E547 PolarHBondContact NH1-OE2 3.36Å; R544-E547 PolarHBondContact O-N 3.3Å; R544-I548 PolarHBondContact O-N 3.29Å
545P95Very high94.2Very high13 Ų1343.5 Ų43.58%0.08421%0.205CC..Hα-helixtrans-64.2-33.3-172.227.1-36.8000113.5Y530 T542 L543 V549 L569 V576Y530-P545 HydrophobicContact CD1-CB 3.99Å; Y530-P545 HydrophobicContact CD1-CG 3.94Å; Y530-P545 HydrophobicContact CD2-CB 4.43Å; Y530-P545 HydrophobicContact CD2-CG 3.78Å; Y530-P545 HydrophobicContact CE1-CG 4.17Å; Y530-P545 HydrophobicContact CE2-CG 4.02Å; Y530-P545 HydrophobicContact CG-CB 3.93Å; Y530-P545 HydrophobicContact CG-CG 3.75Å; T542-P545 HydrophobicContact CG2-CB 4.36Å; L543-P545 WeakPolarHBondContact O-CD 3.13Å; P545-V549 VanDerWaalsContact O-CG2 3.27Å; P545-V549 WeakPolarHBondContact O-CG2 3.35Å; P545-V549 PolarHBondContact O-N 3.42Å; P545-L569 HydrophobicContact CB-CD1 3.88Å; P545-L569 HydrophobicContact CG-CD1 4.44Å; P545-V576 HydrophobicContact CB-CG2 3.57Å
546K94.4Very high94.2Very high117 Ų11742.7 Ų42.751%0.50920%0.199SC..Hα-helixtrans-69.6-46.9-178.9-68.3-177.2178.5-179.20111.6R544 I548 V549 E550 L569 E571R544-K546 VanDerWaalsContact C-N 3.31Å; R544-K546 PolarHBondContact O-N 3.5Å; K546-I548 PolarHBondContact O-N 2.68Å; K546-V549 PolarHBondContact O-N 3.39Å; K546-E550 WeakPolarHBondContact O-CG 3.47Å; K546-E550 PolarHBondContact O-N 3.23Å; K546-L569 HydrophobicContact CG-CD2 3.7Å; K546-E571 WeakPolarHBondContact CE-OE1 3.29Å; K546-E571 IonicContact NZ-OE1 3.61Å; K546-E571 PolarHBondContact NZ-OE1 2.78Å
547E95.5Very high94Very high91 Ų9143 Ų4343%0.42520%0.198SC..Hα-helixtrans-59.7-47.9177.7-65.1174.5-155.500110.9R544 V549 E550 D551R544-E547 HydrophobicContact CB-CB 4.29Å; R544-E547 HydrophobicContact CB-CG 4.49Å; R544-E547 WeakPolarHBondContact CD-OE2 3.43Å; R544-E547 IonicContact CZ-OE2 3.63Å; R544-E547 IonicContact NE-OE2 3.03Å; R544-E547 IonicContact NH1-OE2 2.85Å; R544-E547 PolarHBondContact NH1-OE2 3.36Å; R544-E547 PolarHBondContact O-N 3.3Å; E547-V549 VanDerWaalsContact C-N 3.32Å; E547-V549 PolarHBondContact O-N 2.99Å; E547-E550 PolarHBondContact O-N 3.28Å; E547-E550 VanDerWaalsContact O-N 3.1Å; E547-D551 WeakPolarHBondContact O-CB 3.42Å; E547-D551 VanDerWaalsContact O-CG 3.28Å; E547-D551 PolarHBondContact O-N 3.46Å
548I95.6Very high93.8Very high1 Ų147.5 Ų47.51%0.00521%0.214CC..Hα-helixtrans-62.5-38.6-179.8-69.8161.9000111.9L508 V513 T542 R544 K546 I552 F578L508-I548 HydrophobicContact CD2-CG2 3.84Å; V513-I548 HydrophobicContact CG2-CD1 3.74Å; V513-I548 HydrophobicContact CG2-CG2 4.37Å; T542-I548 VanDerWaalsContact CB-CD1 3.48Å; T542-I548 HydrophobicContact CG2-CD1 3.63Å; T542-I548 WeakPolarHBondContact OG1-CD1 3.26Å; R544-I548 PolarHBondContact O-N 3.29Å; K546-I548 PolarHBondContact O-N 2.68Å; I548-I552 HydrophobicContact CG2-CG1 4.37Å; I548-I552 WeakPolarHBondContact O-CB 3.37Å; I548-I552 VanDerWaalsContact O-CG1 3.27Å; I548-I552 WeakPolarHBondContact O-CG1 3.32Å; I548-I552 PolarHBondContact O-N 3.47Å; I548-F578 HydrophobicContact CG2-CE2 4.48Å; I548-F578 HydrophobicContact CG2-CZ 3.98Å
549V95.1Very high93.4Very high7 Ų749.6 Ų49.64%0.04224%0.235CC..Hα-helixtrans-64.9-41.6175.8168.30000111.1P545 K546 E547 R553 A567 L569 V576P545-V549 VanDerWaalsContact O-CG2 3.27Å; P545-V549 WeakPolarHBondContact O-CG2 3.35Å; P545-V549 PolarHBondContact O-N 3.42Å; K546-V549 PolarHBondContact O-N 3.39Å; E547-V549 VanDerWaalsContact C-N 3.32Å; E547-V549 PolarHBondContact O-N 2.99Å; V549-R553 WeakPolarHBondContact O-CB 3.47Å; V549-R553 VanDerWaalsContact O-CG 3.28Å; V549-R553 WeakPolarHBondContact O-CG 3.21Å; V549-R553 PolarHBondContact O-N 3.44Å; V549-R553 VanDerWaalsContact O-N 3.08Å; V549-A567 HydrophobicContact CG1-CB 4Å; V549-L569 HydrophobicContact CG2-CB 4.36Å; V549-V576 HydrophobicContact CG2-CG1 3.56Å
550E93.5Very high93.3Very high129 Ų12952 Ų5260%0.60325%0.252SS*.Hα-helixtrans-66.2-42.6176.8-71.5175.6-179.300111.9K546 E547 R553 F554K546-E550 WeakPolarHBondContact O-CG 3.47Å; K546-E550 PolarHBondContact O-N 3.23Å; E547-E550 PolarHBondContact O-N 3.28Å; E547-E550 VanDerWaalsContact O-N 3.1Å; E550-R553 PolarHBondContact O-N 3.1Å; E550-F554 WeakPolarHBondContact O-CB 3.3Å; E550-F554 PolarHBondContact O-N 3.5Å
551D94.9Very high93.2Very high59 Ų5952.5 Ų52.532%0.31625%0.254SS..Hα-helixtrans-63.3-45.9177.2-70.1-26.1000111.6L511 E547 R553 F554 F555L511-D551 HydrophobicContact CD1-CB 3.81Å; L511-D551 HydrophobicContact CD2-CB 3.92Å; E547-D551 WeakPolarHBondContact O-CB 3.42Å; E547-D551 VanDerWaalsContact O-CG 3.28Å; E547-D551 PolarHBondContact O-N 3.46Å; D551-R553 VanDerWaalsContact C-N 3.34Å; D551-R553 PolarHBondContact O-N 2.89Å; D551-F554 WeakPolarHBondContact O-CB 3.4Å; D551-F554 PolarHBondContact O-N 3.26Å; D551-F554 VanDerWaalsContact O-N 3.15Å; D551-F555 HydrophobicContact CB-CE2 4.43Å; D551-F555 WeakPolarHBondContact O-CD2 3.25Å; D551-F555 PolarHBondContact O-N 3.4Å
552I95.2Very high93.1Very high3 Ų355.9 Ų55.92%0.01527%0.27CS..Hα-helixtrans-63.7-39.8177.2-69.3-65.4000111.4L504 T507 L508 L511 I548 F554 F555 R556 L561 V565 A567 F578L504-I552 HydrophobicContact CD1-CD1 3.9Å; L504-I552 HydrophobicContact CD1-CG2 4.33Å; T507-I552 HydrophobicContact CG2-CD1 4.08Å; L508-I552 HydrophobicContact CD2-CD1 3.91Å; L508-I552 HydrophobicContact CD2-CG1 3.96Å; L508-I552 HydrophobicContact CG-CD1 4.42Å; L511-I552 HydrophobicContact CD1-CD1 3.73Å; L511-I552 HydrophobicContact CD1-CG1 4.01Å; I548-I552 HydrophobicContact CG2-CG1 4.37Å; I548-I552 WeakPolarHBondContact O-CB 3.37Å; I548-I552 VanDerWaalsContact O-CG1 3.27Å; I548-I552 WeakPolarHBondContact O-CG1 3.32Å; I548-I552 PolarHBondContact O-N 3.47Å; I552-F554 VanDerWaalsContact C-N 3.33Å; I552-F555 PolarHBondContact O-N 2.91Å; I552-R556 WeakPolarHBondContact O-CB 3.44Å; I552-R556 PolarHBondContact O-N 3.34Å; I552-L561 HydrophobicContact CD1-CD1 3.84Å; I552-L561 HydrophobicContact CG2-CD1 3.96Å; I552-V565 HydrophobicContact CG2-CG1 4.27Å; I552-A567 HydrophobicContact CG2-CB 4.39Å; I552-F578 HydrophobicContact CB-CE1 3.86Å; I552-F578 HydrophobicContact CG1-CE1 3.79Å; I552-F578 HydrophobicContact CG1-CZ 4.02Å; I552-F578 HydrophobicContact CG2-CD1 4.04Å; I552-F578 HydrophobicContact CG2-CE1 3.67Å
553R93.1Very high92.9Very high38 Ų3858.3 Ų58.314%0.14328%0.28CS..Hα-helixtrans-62.2-42.3172.8-75.4177.5176.7159.89.1111.3V549 E550 D551 R556 Q557 A567 E630 T633V549-R553 WeakPolarHBondContact O-CB 3.47Å; V549-R553 VanDerWaalsContact O-CG 3.28Å; V549-R553 WeakPolarHBondContact O-CG 3.21Å; V549-R553 PolarHBondContact O-N 3.44Å; V549-R553 VanDerWaalsContact O-N 3.08Å; E550-R553 PolarHBondContact O-N 3.1Å; D551-R553 VanDerWaalsContact C-N 3.34Å; D551-R553 PolarHBondContact O-N 2.89Å; R553-R556 WeakPolarHBondContact O-CB 3.4Å; R553-R556 PolarHBondContact O-N 3.24Å; R553-Q557 VanDerWaalsContact O-CG 3.22Å; R553-Q557 WeakPolarHBondContact O-CG 3.49Å; R553-Q557 PolarHBondContact O-N 3.49Å; R553-A567 PolarHBondContact NH2-O 3.38Å; R553-A567 VanDerWaalsContact NH2-O 3.12Å; R553-E630 IonicContact CZ-OE1 2.71Å; R553-E630 IonicContact NE-OE1 3.77Å; R553-E630 PolarHBondContact NE-OE1 2.63Å; R553-E630 IonicContact NH2-OE1 3.55Å; R553-T633 PolarHBondContact NH2-OG1 3.12Å
554F91.9Very high92.9Very high102 Ų10254.3 Ų54.345%0.44726%0.259SS..Hα-helixtrans-59.6-51.2175.3-175.7-88.9000111E550 D551 I552 R556 Q557 Y558E550-F554 WeakPolarHBondContact O-CB 3.3Å; E550-F554 PolarHBondContact O-N 3.5Å; D551-F554 WeakPolarHBondContact O-CB 3.4Å; D551-F554 PolarHBondContact O-N 3.26Å; D551-F554 VanDerWaalsContact O-N 3.15Å; I552-F554 VanDerWaalsContact C-N 3.33Å; F554-R556 VanDerWaalsContact C-N 3.26Å; F554-R556 PolarHBondContact O-N 2.94Å; F554-Q557 WeakPolarHBondContact O-CB 3.18Å; F554-Q557 PolarHBondContact O-N 2.93Å; F554-Y558 AromaticContact CD1-CD2 3.94Å; F554-Y558 HydrophobicContact CD1-CD2 3.94Å; F554-Y558 HydrophobicContact CD1-CE2 4.16Å; F554-Y558 HydrophobicContact CD2-CD2 4.18Å; F554-Y558 AromaticContact CD2-CE2 3.63Å; F554-Y558 HydrophobicContact CD2-CE2 3.63Å; F554-Y558 AromaticContact CE1-CD2 3.7Å; F554-Y558 HydrophobicContact CE1-CD2 3.7Å; F554-Y558 AromaticContact CE1-CE2 3.76Å; F554-Y558 HydrophobicContact CE1-CE2 3.76Å; F554-Y558 AromaticContact CE2-CD2 3.98Å; F554-Y558 HydrophobicContact CE2-CD2 3.98Å; F554-Y558 AromaticContact CE2-CE2 3.21Å; F554-Y558 HydrophobicContact CE2-CE2 3.21Å; F554-Y558 AromaticContact CE2-CZ 3.94Å; F554-Y558 HydrophobicContact CG-CD2 4.16Å; F554-Y558 HydrophobicContact CG-CE2 4.09Å; F554-Y558 AromaticContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CD2 3.72Å; F554-Y558 AromaticContact CZ-CE2 3.26Å; F554-Y558 HydrophobicContact CZ-CE2 3.26Å; F554-Y558 AromaticContact CZ-CZ 3.91Å; F554-Y558 VanDerWaalsContact O-CD2 3.29Å; F554-Y558 WeakPolarHBondContact O-CD2 3.37Å; F554-Y558 PolarHBondContact O-N 3.06Å
555F93.4Very high92.9Very high66 Ų6649 Ų4929%0.28924%0.239SC..Hα-helixtrans-59.4-34.8176.7-73.9-62.5000113.6T507 L511 D551 I552 G559 C560 L561T507-F555 HydrophobicContact CG2-CD2 4.15Å; T507-F555 HydrophobicContact CG2-CE2 4.3Å; L511-F555 HydrophobicContact CD1-CD2 4.37Å; L511-F555 HydrophobicContact CD1-CE2 4.04Å; L511-F555 HydrophobicContact CD2-CE2 3.94Å; L511-F555 HydrophobicContact CG-CE2 4.24Å; D551-F555 HydrophobicContact CB-CE2 4.43Å; D551-F555 WeakPolarHBondContact O-CD2 3.25Å; D551-F555 PolarHBondContact O-N 3.4Å; I552-F555 PolarHBondContact O-N 2.91Å; F555-G559 PolarHBondContact O-N 3.44Å; F555-C560 HydrophobicContact CB-CB 4.1Å; F555-C560 HydrophobicContact CD1-CB 4Å; F555-C560 WeakPolarHBondContact O-CB 3.27Å; F555-C560 PolarHBondContact O-N 2.95Å; F555-L561 HydrophobicContact CB-CD1 3.8Å; F555-L561 HydrophobicContact CB-CG 3.98Å; F555-L561 PolarHBondContact O-N 2.87Å
556R93.1Very high92.9Very high10 Ų1048.5 Ų48.54%0.03824%0.236CC..Hα-helixtrans-64.1-44.5172.3179.7-178.470.6-168.90.4111.8I552 R553 F554 Y558 G559 V565 E624 E630I552-R556 WeakPolarHBondContact O-CB 3.44Å; I552-R556 PolarHBondContact O-N 3.34Å; R553-R556 WeakPolarHBondContact O-CB 3.4Å; R553-R556 PolarHBondContact O-N 3.24Å; F554-R556 VanDerWaalsContact C-N 3.26Å; F554-R556 PolarHBondContact O-N 2.94Å; R556-Y558 VanDerWaalsContact C-N 3.3Å; R556-Y558 PolarHBondContact O-N 2.8Å; R556-G559 PolarHBondContact O-N 2.96Å; R556-G559 VanDerWaalsContact O-N 3.12Å; R556-V565 WeakPolarHBondContact CD-O 3.48Å; R556-V565 PolarHBondContact NH1-O 2.94Å; R556-E624 IonicContact CZ-OE2 2.76Å; R556-E624 IonicContact NE-OE2 2.77Å; R556-E624 IonicContact NH2-OE1 3.26Å; R556-E624 PolarHBondContact NH2-OE1 3.47Å; R556-E624 IonicContact NH2-OE2 2.97Å; R556-E624 PolarHBondContact NH2-OE2 3.06Å; R556-E630 IonicContact CZ-OE1 2.78Å; R556-E630 IonicContact CZ-OE2 2.72Å; R556-E630 IonicContact NH1-OE1 2.73Å; R556-E630 PolarHBondContact NH1-OE1 3.09Å; R556-E630 VanDerWaalsContact NH1-OE1 3.14Å; R556-E630 IonicContact NH1-OE2 2.85Å; R556-E630 PolarHBondContact NH1-OE2 3.3Å; R556-E630 IonicContact NH2-OE1 3.1Å; R556-E630 PolarHBondContact NH2-OE1 3.46Å; R556-E630 IonicContact NH2-OE2 2.99Å
557Q89.8Confident92.9Very high19 Ų1943 Ų439%0.08921%0.212CC..Hα-helixtrans-64-31.4-177.7-73169.614.700113.4R553 F554 L591 T619 G621 E624R553-Q557 VanDerWaalsContact O-CG 3.22Å; R553-Q557 WeakPolarHBondContact O-CG 3.49Å; R553-Q557 PolarHBondContact O-N 3.49Å; F554-Q557 WeakPolarHBondContact O-CB 3.18Å; F554-Q557 PolarHBondContact O-N 2.93Å; Q557-L591 HydrophobicContact CG-CD1 3.82Å; Q557-T619 CarbonylContact O-C 3.56Å; Q557-T619 VanDerWaalsContact O-O 3.14Å; Q557-G621 WeakPolarHBondContact O-CA 3.36Å; Q557-G621 PolarHBondContact O-N 3.18Å; Q557-E624 PolarHBondContact NE2-OE2 3.42Å
558Y88.3Confident92.8Very high119 Ų11939.4 Ų39.447%0.46720%0.195SC..THydrogen-bonded Turntrans-94.411.7176.7-68.3-84.7000113.5F554 R556 C560 T619F554-Y558 AromaticContact CD1-CD2 3.94Å; F554-Y558 HydrophobicContact CD1-CD2 3.94Å; F554-Y558 HydrophobicContact CD1-CE2 4.16Å; F554-Y558 HydrophobicContact CD2-CD2 4.18Å; F554-Y558 AromaticContact CD2-CE2 3.63Å; F554-Y558 HydrophobicContact CD2-CE2 3.63Å; F554-Y558 AromaticContact CE1-CD2 3.7Å; F554-Y558 HydrophobicContact CE1-CD2 3.7Å; F554-Y558 AromaticContact CE1-CE2 3.76Å; F554-Y558 HydrophobicContact CE1-CE2 3.76Å; F554-Y558 AromaticContact CE2-CD2 3.98Å; F554-Y558 HydrophobicContact CE2-CD2 3.98Å; F554-Y558 AromaticContact CE2-CE2 3.21Å; F554-Y558 HydrophobicContact CE2-CE2 3.21Å; F554-Y558 AromaticContact CE2-CZ 3.94Å; F554-Y558 HydrophobicContact CG-CD2 4.16Å; F554-Y558 HydrophobicContact CG-CE2 4.09Å; F554-Y558 AromaticContact CZ-CD2 3.72Å; F554-Y558 HydrophobicContact CZ-CD2 3.72Å; F554-Y558 AromaticContact CZ-CE2 3.26Å; F554-Y558 HydrophobicContact CZ-CE2 3.26Å; F554-Y558 AromaticContact CZ-CZ 3.91Å; F554-Y558 VanDerWaalsContact O-CD2 3.29Å; F554-Y558 WeakPolarHBondContact O-CD2 3.37Å; F554-Y558 PolarHBondContact O-N 3.06Å; R556-Y558 VanDerWaalsContact C-N 3.3Å; R556-Y558 PolarHBondContact O-N 2.8Å; Y558-C560 VanDerWaalsContact C-N 3.29Å; Y558-C560 PolarHBondContact O-N 2.97Å; Y558-T619 CarbonylContact C-O 3.56Å
559G87.4Confident92.7Very high43 Ų4340.4 Ų40.444%0.44320%0.2SC..THydrogen-bonded Turntrans7312.5175.700000115.4F555 R556F555-G559 PolarHBondContact O-N 3.44Å; R556-G559 PolarHBondContact O-N 2.96Å; R556-G559 VanDerWaalsContact O-N 3.12Å
560C90.8Very high92.6Very high59 Ų5942.2 Ų42.240%0.39921%0.208SC..SBendtrans-70.4-36.5173.8-58.60000111.3K503 F555 Y558K503-C560 VanDerWaalsContact CE-O 3.24Å; K503-C560 WeakPolarHBondContact CE-O 3.28Å; K503-C560 PolarHBondContact NZ-O 2.85Å; F555-C560 HydrophobicContact CB-CB 4.1Å; F555-C560 HydrophobicContact CD1-CB 4Å; F555-C560 WeakPolarHBondContact O-CB 3.27Å; F555-C560 PolarHBondContact O-N 2.95Å; Y558-C560 VanDerWaalsContact C-N 3.29Å; Y558-C560 PolarHBondContact O-N 2.97Å
561L92.8Very high92.5Very high11 Ų1140.8 Ų40.86%0.05820%0.201CC..SBendtrans-109.4159174.1-62.5173.9000110.6K503 L504 I552 F555 V565K503-L561 HydrophobicContact CG-CD2 4.45Å; L504-L561 HydrophobicContact CD1-CD1 4.08Å; I552-L561 HydrophobicContact CD1-CD1 3.84Å; I552-L561 HydrophobicContact CG2-CD1 3.96Å; F555-L561 HydrophobicContact CB-CD1 3.8Å; F555-L561 HydrophobicContact CB-CG 3.98Å; F555-L561 PolarHBondContact O-N 2.87Å; L561-V565 HydrophobicContact CB-CG2 4.4Å
562H91.7Very high92.3Very high72 Ų7241.5 Ų41.533%0.33321%0.209SC..  trans-63139.9180-168.9-102.1000111.4S497 F564 V565S497-H562 PolarHBondContact OG-CE1 3.49Å; S497-H562 VanDerWaalsContact OG-CE1 3.31Å; H562-F564 AromaticContact CE1-CD2 3.45Å; H562-F564 VanDerWaalsContact CE1-CD2 3.45Å; H562-F564 WeakPolarHBondContact CE1-CD2 3.27Å; H562-F564 AromaticContact ND1-CD2 3.92Å; H562-F564 PolarHBondContact O-N 2.69Å; H562-V565 HydrophobicContact CB-CG2 4.12Å; H562-V565 WeakPolarHBondContact O-CB 3.32Å; H562-V565 VanDerWaalsContact O-CG2 3.31Å; H562-V565 WeakPolarHBondContact O-CG2 3.33Å; H562-V565 PolarHBondContact O-N 2.78Å
563K90.7Very high92Very high55 Ų5542 Ų4224%0.23921%0.211CC..THydrogen-bonded Turntrans-61.6-17.5-171.966-170.6178.9-172.90115.9D615 F618 Y625K563-D615 IonicContact NZ-OD1 3.57Å; K563-D615 PolarHBondContact NZ-OD1 3.31Å; K563-F618 HydrophobicContact CD-CB 4.43Å; K563-F618 HydrophobicContact CD-CG 4.47Å; K563-Y625 HydrophobicContact CB-CD2 4.38Å; K563-Y625 HydrophobicContact CD-CD2 4.26Å; K563-Y625 HydrophobicContact CD-CE2 3.96Å; K563-Y625 HydrophobicContact CG-CD2 4.18Å; K563-Y625 HydrophobicContact CG-CE2 4.36Å
564F93.3Very high91.9Very high12 Ų1243.5 Ų43.55%0.05322%0.217CC..THydrogen-bonded Turntrans-96.9-0.4176.4-62-51.6000114.5S497 H562 S566 R584 C586 Y625S497-F564 WeakPolarHBondContact OG-CD2 3.33Å; H562-F564 AromaticContact CE1-CD2 3.45Å; H562-F564 VanDerWaalsContact CE1-CD2 3.45Å; H562-F564 WeakPolarHBondContact CE1-CD2 3.27Å; H562-F564 AromaticContact ND1-CD2 3.92Å; H562-F564 PolarHBondContact O-N 2.69Å; F564-S566 PolarHBondContact O-N 3.05Å; F564-S566 VanDerWaalsContact O-N 3.13Å; F564-R584 PolarHBondContact O-NH1 2.8Å; F564-R584 PolarHBondContact O-NH2 2.87Å; F564-C586 HydrophobicContact CD1-CB 4.29Å; F564-C586 HydrophobicContact CE1-CB 4.37Å; F564-Y625 HydrophobicContact CD1-CD2 4.04Å; F564-Y625 HydrophobicContact CD1-CG 4.02Å; F564-Y625 HydrophobicContact CE1-CD1 4.08Å; F564-Y625 AromaticContact CE1-CD2 3.64Å; F564-Y625 HydrophobicContact CE1-CD2 3.64Å; F564-Y625 HydrophobicContact CE1-CE1 4.35Å; F564-Y625 AromaticContact CE1-CE2 3.94Å; F564-Y625 HydrophobicContact CE1-CE2 3.94Å; F564-Y625 AromaticContact CE1-CG 3.71Å; F564-Y625 HydrophobicContact CE1-CG 3.71Å; F564-Y625 HydrophobicContact CZ-CD2 4.5Å; F564-Y625 HydrophobicContact CZ-CE2 4.42Å
565V95Very high92Very high3 Ų338.7 Ų38.72%0.01820%0.196CC..  trans-59.1121.1173.2174.70000107.9L504 I552 R556 L561 H562 S579 T580L504-V565 HydrophobicContact CD1-CG1 4.14Å; L504-V565 HydrophobicContact CD2-CG1 4.16Å; I552-V565 HydrophobicContact CG2-CG1 4.27Å; R556-V565 WeakPolarHBondContact CD-O 3.48Å; R556-V565 PolarHBondContact NH1-O 2.94Å; L561-V565 HydrophobicContact CB-CG2 4.4Å; H562-V565 HydrophobicContact CB-CG2 4.12Å; H562-V565 WeakPolarHBondContact O-CB 3.32Å; H562-V565 VanDerWaalsContact O-CG2 3.31Å; H562-V565 WeakPolarHBondContact O-CG2 3.33Å; H562-V565 PolarHBondContact O-N 2.78Å; V565-S579 WeakPolarHBondContact CA-O 3.36Å; V565-T580 HydrophobicContact CG2-CG2 4.13Å
566S94.8Very high92.2Very high3 Ų335.5 Ų35.52%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-104.8150.6173.671.70000111.5F564 F578 S579 R584 D627 E630F564-S566 PolarHBondContact O-N 3.05Å; F564-S566 VanDerWaalsContact O-N 3.13Å; S566-F578 VanDerWaalsContact O-CA 3.3Å; S566-F578 WeakPolarHBondContact O-CA 3.3Å; S566-S579 PolarHBondContact N-O 2.84Å; S566-S579 PolarHBondContact O-N 2.83Å; S566-S579 VanDerWaalsContact O-N 3.16Å; S566-R584 VanDerWaalsContact CB-NH1 3.28Å; S566-R584 PolarHBondContact OG-NH1 3.43Å; S566-D627 VanDerWaalsContact CB-CG 3.43Å; S566-D627 WeakPolarHBondContact CB-OD2 3.06Å; S566-D627 PolarHBondContact OG-OD2 3.36Å; S566-E630 WeakPolarHBondContact CB-OE2 3.43Å
567A95.2Very high92.3Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-129.9117.2179.100000109.4V549 I552 R553 F578V549-A567 HydrophobicContact CG1-CB 4Å; I552-A567 HydrophobicContact CG2-CB 4.39Å; R553-A567 PolarHBondContact NH2-O 3.38Å; R553-A567 VanDerWaalsContact NH2-O 3.12Å; A567-F578 HydrophobicContact CB-CD1 3.75Å; A567-F578 HydrophobicContact CB-CE1 3.48Å; A567-F578 VanDerWaalsContact CB-CE1 3.48Å
568F93Very high92.6Very high16 Ų1635.8 Ų35.87%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-129.3115.4-175.4173.6-119.3000111.1H570 Y577 N629 N632 T633F568-H570 HydrophobicContact CD1-CB 4.47Å; F568-H570 HydrophobicContact CE1-CB 3.78Å; F568-H570 AromaticContact CE1-CD2 3.66Å; F568-H570 HydrophobicContact CZ-CB 4.1Å; F568-H570 AromaticContact CZ-CD2 3.62Å; F568-Y577 AromaticContact CD1-CD2 3.7Å; F568-Y577 HydrophobicContact CD1-CD2 3.7Å; F568-Y577 HydrophobicContact CD1-CG 4.39Å; F568-Y577 HydrophobicContact CE1-CD2 4.16Å; F568-Y577 PolarHBondContact N-O 3.37Å; F568-Y577 PolarHBondContact O-N 3.21Å; F568-N629 HydrophobicContact CB-CB 4.18Å; F568-N629 HydrophobicContact CD1-CB 4.17Å; F568-N629 HydrophobicContact CD2-CB 4.33Å; F568-N629 WeakPolarHBondContact CD2-O 3.42Å; F568-N629 WeakPolarHBondContact CE2-O 3.4Å; F568-N629 HydrophobicContact CG-CB 3.97Å; F568-N632 HydrophobicContact CE2-CB 4.13Å; F568-T633 HydrophobicContact CD2-CG2 3.48Å; F568-T633 VanDerWaalsContact CD2-CG2 3.48Å; F568-T633 HydrophobicContact CE2-CG2 3.67Å
569L94.8Very high93Very high23 Ų2331.2 Ų31.212%0.1217%0.168CC..EExtended strand (participates in β ladder)trans-89.4119.2172.5172.557.8000110Y530 P545 K546 V549 E571 V576Y530-L569 HydrophobicContact CD1-CD1 3.84Å; Y530-L569 HydrophobicContact CE1-CD1 3.85Å; P545-L569 HydrophobicContact CB-CD1 3.88Å; P545-L569 HydrophobicContact CG-CD1 4.44Å; K546-L569 HydrophobicContact CG-CD2 3.7Å; V549-L569 HydrophobicContact CG2-CB 4.36Å; L569-E571 HydrophobicContact CD2-CG 4.25Å; L569-E571 HydrophobicContact CG-CG 4.15Å; L569-V576 HydrophobicContact CD1-CG2 3.98Å
570H92.8Very high93.3Very high45 Ų4529.2 Ų29.221%0.20815%0.147CC..EExtended strand (participates in β ladder)trans-107.295.2172.7-163.9-79.5000110.2F568 P572 H573 R574 C575 Y577F568-H570 HydrophobicContact CD1-CB 4.47Å; F568-H570 HydrophobicContact CE1-CB 3.78Å; F568-H570 AromaticContact CE1-CD2 3.66Å; F568-H570 HydrophobicContact CZ-CB 4.1Å; F568-H570 AromaticContact CZ-CD2 3.62Å; H570-P572 WeakPolarHBondContact ND1-CD 3.28Å; H570-H573 HydrophobicContact CB-CB 4.43Å; H570-H573 AromaticContact CD2-ND1 3.95Å; H570-H573 AromaticContact CE1-CD2 3.62Å; H570-H573 AromaticContact CE1-CE1 3.28Å; H570-H573 PolarHBondContact CE1-CE1 2.69Å; H570-H573 AromaticContact CE1-CG 3.46Å; H570-H573 VanDerWaalsContact CE1-CG 3.46Å; H570-H573 AromaticContact CE1-ND1 3.29Å; H570-H573 PolarHBondContact CE1-ND1 3.5Å; H570-H573 VanDerWaalsContact CE1-ND1 3.29Å; H570-H573 AromaticContact CE1-NE2 3.54Å; H570-H573 AromaticContact CG-CG 3.97Å; H570-H573 AromaticContact CG-ND1 3.58Å; H570-H573 WeakPolarHBondContact ND1-CB 3.47Å; H570-H573 AromaticContact ND1-CD2 3.73Å; H570-H573 AromaticContact ND1-CE1 3.64Å; H570-H573 AromaticContact ND1-CG 3.13Å; H570-H573 PolarHBondContact ND1-N 2.65Å; H570-H573 VanDerWaalsContact ND1-N 3.18Å; H570-H573 AromaticContact ND1-ND1 3.13Å; H570-H573 PolarHBondContact ND1-ND1 2.95Å; H570-H573 VanDerWaalsContact ND1-ND1 3.13Å; H570-H573 AromaticContact NE2-CE1 3.63Å; H570-H573 AromaticContact NE2-ND1 3.8Å; H570-H573 PolarHBondContact O-N 2.78Å; H570-R574 PolarHBondContact O-N 2.88Å; H570-C575 PolarHBondContact N-O 3.11Å; H570-C575 PolarHBondContact O-N 2.97Å; H570-Y577 HydrophobicContact CB-CD2 4.16Å; H570-Y577 HydrophobicContact CB-CE2 3.71Å
571E91.1Very high93.3Very high99 Ų9927.5 Ų27.546%0.46313%0.133SC..THydrogen-bonded Turntrans-57.6-45.2-176.1-64.7-171.7165.800113.5K546 L569 H573 R574K546-E571 WeakPolarHBondContact CE-OE1 3.29Å; K546-E571 IonicContact NZ-OE1 3.61Å; K546-E571 PolarHBondContact NZ-OE1 2.78Å; L569-E571 HydrophobicContact CD2-CG 4.25Å; L569-E571 HydrophobicContact CG-CG 4.15Å; E571-H573 VanDerWaalsContact C-N 3.33Å; E571-H573 PolarHBondContact O-N 3.24Å; E571-R574 PolarHBondContact O-N 2.79Å
572P89.1Confident93.2Very high74 Ų7428.6 Ų28.648%0.48114%0.144SC..THydrogen-bonded Turntrans-63.4-32.8-179.1-24.433.2000114.9C341 H570 R574C341-P572 WeakPolarHBondContact SG-CB 3.14Å; H570-P572 WeakPolarHBondContact ND1-CD 3.28Å; P572-R574 VanDerWaalsContact C-N 3.27Å
573H90Very high93.2Very high12 Ų1225.4 Ų25.46%0.05613%0.13CC..THydrogen-bonded Turntrans-85.1-6.3178.1-65.5157.8000111.8R332 C341 H570 E571 C575 Y577R332-H573 PolarHBondContact NE-CE1 3.4Å; R332-H573 PolarHBondContact NH2-CE1 2.66Å; R332-H573 PolarHBondContact NH2-NE2 3.36Å; C341-H573 VanDerWaalsContact SG-CD2 3.59Å; H570-H573 HydrophobicContact CB-CB 4.43Å; H570-H573 AromaticContact CD2-ND1 3.95Å; H570-H573 AromaticContact CE1-CD2 3.62Å; H570-H573 AromaticContact CE1-CE1 3.28Å; H570-H573 PolarHBondContact CE1-CE1 2.69Å; H570-H573 AromaticContact CE1-CG 3.46Å; H570-H573 VanDerWaalsContact CE1-CG 3.46Å; H570-H573 AromaticContact CE1-ND1 3.29Å; H570-H573 PolarHBondContact CE1-ND1 3.5Å; H570-H573 VanDerWaalsContact CE1-ND1 3.29Å; H570-H573 AromaticContact CE1-NE2 3.54Å; H570-H573 AromaticContact CG-CG 3.97Å; H570-H573 AromaticContact CG-ND1 3.58Å; H570-H573 WeakPolarHBondContact ND1-CB 3.47Å; H570-H573 AromaticContact ND1-CD2 3.73Å; H570-H573 AromaticContact ND1-CE1 3.64Å; H570-H573 AromaticContact ND1-CG 3.13Å; H570-H573 PolarHBondContact ND1-N 2.65Å; H570-H573 VanDerWaalsContact ND1-N 3.18Å; H570-H573 AromaticContact ND1-ND1 3.13Å; H570-H573 PolarHBondContact ND1-ND1 2.95Å; H570-H573 VanDerWaalsContact ND1-ND1 3.13Å; H570-H573 AromaticContact NE2-CE1 3.63Å; H570-H573 AromaticContact NE2-ND1 3.8Å; H570-H573 PolarHBondContact O-N 2.78Å; E571-H573 VanDerWaalsContact C-N 3.33Å; E571-H573 PolarHBondContact O-N 3.24Å; H573-C575 HydrophobicContact CB-CB 4.14Å; H573-C575 PolarHBondContact O-N 3.14Å; H573-C575 PolarHBondContact O-SG 2.89Å; H573-Y577 PolarHBondContact ND1-OH 3.31Å
574R91.8Very high93.3Very high71 Ų7123.3 Ų23.327%0.26812%0.121SC..THydrogen-bonded Turntrans4845.8-167.9-65174.453.9-173.4-13.4112.1Y529 Y530 Y531 H570 E571 P572Y529-R574 PolarHBondContact O-NE 3.41Å; Y529-R574 PolarHBondContact O-NH2 2.92Å; Y530-R574 CarbonylContact C-O 3.58Å; Y530-R574 WeakPolarHBondContact CA-O 3.39Å; Y530-R574 VanDerWaalsContact CD1-CA 3.47Å; Y530-R574 HydrophobicContact CD1-CB 4.1Å; Y530-R574 HydrophobicContact CE1-CB 4.15Å; Y530-R574 HydrophobicContact CE1-CG 4.29Å; Y530-R574 HydrophobicContact CG-CB 4.34Å; Y531-R574 PolarHBondContact N-O 2.71Å; H570-R574 PolarHBondContact O-N 2.88Å; E571-R574 PolarHBondContact O-N 2.79Å; P572-R574 VanDerWaalsContact C-N 3.27Å
575C94.3Very high93.3Very high0 Ų023.1 Ų23.10%012%0.121CC..EExtended strand (participates in β ladder)trans-129.5141.9-177.8-69.30000111.6Y531 L533 H570 H573 Y577Y531-C575 CarbonylContact O-C 3.38Å; Y531-C575 VanDerWaalsContact O-CA 3.29Å; Y531-C575 WeakPolarHBondContact O-CA 3.47Å; L533-C575 HydrophobicContact CD1-CB 3.99Å; H570-C575 PolarHBondContact N-O 3.11Å; H570-C575 PolarHBondContact O-N 2.97Å; H573-C575 HydrophobicContact CB-CB 4.14Å; H573-C575 PolarHBondContact O-N 3.14Å; H573-C575 PolarHBondContact O-SG 2.89Å; C575-Y577 HydrophobicContact CB-CD2 4.32Å; C575-Y577 HydrophobicContact CB-CE1 4.38Å; C575-Y577 HydrophobicContact CB-CE2 3.64Å
576V96Very high93.1Very high0 Ų023.1 Ų23.10%012%0.121CC..EExtended strand (participates in β ladder)trans-105.5121.6164.9-173.80000107.7Y531 V532 L533 P545 V549 L569 F578Y531-V576 PolarHBondContact O-N 3.26Å; V532-V576 HydrophobicContact CG2-CB 4.47Å; L533-V576 PolarHBondContact N-O 3.14Å; P545-V576 HydrophobicContact CB-CG2 3.57Å; V549-V576 HydrophobicContact CG2-CG1 3.56Å; L569-V576 HydrophobicContact CD1-CG2 3.98Å; V576-F578 HydrophobicContact CB-CE2 4.29Å; V576-F578 HydrophobicContact CG1-CD2 4.15Å; V576-F578 HydrophobicContact CG1-CE1 4.32Å; V576-F578 HydrophobicContact CG1-CE2 3.43Å; V576-F578 VanDerWaalsContact CG1-CE2 3.43Å; V576-F578 HydrophobicContact CG1-CZ 3.52Å
577Y96Very high93Very high32 Ų3223 Ų2313%0.12512%0.12CC..EExtended strand (participates in β ladder)trans-103.4126.4177.5-60.5-84000109.9L533 F568 H570 H573 C575L533-Y577 HydrophobicContact CB-CD1 4.03Å; L533-Y577 HydrophobicContact CB-CE1 4.37Å; L533-Y577 HydrophobicContact CD1-CD1 4.47Å; L533-Y577 HydrophobicContact CD1-CE1 4.16Å; L533-Y577 HydrophobicContact CD2-CE1 4.12Å; L533-Y577 HydrophobicContact CG-CE1 4.46Å; F568-Y577 AromaticContact CD1-CD2 3.7Å; F568-Y577 HydrophobicContact CD1-CD2 3.7Å; F568-Y577 HydrophobicContact CD1-CG 4.39Å; F568-Y577 HydrophobicContact CE1-CD2 4.16Å; F568-Y577 PolarHBondContact N-O 3.37Å; F568-Y577 PolarHBondContact O-N 3.21Å; H570-Y577 HydrophobicContact CB-CD2 4.16Å; H570-Y577 HydrophobicContact CB-CE2 3.71Å; H573-Y577 PolarHBondContact ND1-OH 3.31Å; C575-Y577 HydrophobicContact CB-CD2 4.32Å; C575-Y577 HydrophobicContact CB-CE1 4.38Å; C575-Y577 HydrophobicContact CB-CE2 3.64Å
578F96.6Very high92.7Very high2 Ų223 Ų231%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-111.2138.1166-60.9-79.5000110.2L504 L508 V532 L533 V534 N535 I548 I552 S566 A567 V576L504-F578 HydrophobicContact CD2-CB 3.79Å; L504-F578 HydrophobicContact CD2-CG 4.4Å; L508-F578 HydrophobicContact CD1-CD2 3.95Å; L508-F578 HydrophobicContact CD1-CE2 4.14Å; L508-F578 HydrophobicContact CD2-CD2 4.16Å; L508-F578 HydrophobicContact CD2-CE2 3.54Å; L508-F578 HydrophobicContact CD2-CZ 3.76Å; V532-F578 HydrophobicContact CG1-CD2 3.85Å; V532-F578 HydrophobicContact CG1-CE2 3.71Å; L533-F578 PolarHBondContact O-N 3.44Å; V534-F578 WeakPolarHBondContact CA-O 3.41Å; V534-F578 HydrophobicContact CG2-CB 4.26Å; V534-F578 HydrophobicContact CG2-CD2 4.4Å; N535-F578 PolarHBondContact N-O 3.02Å; I548-F578 HydrophobicContact CG2-CE2 4.48Å; I548-F578 HydrophobicContact CG2-CZ 3.98Å; I552-F578 HydrophobicContact CB-CE1 3.86Å; I552-F578 HydrophobicContact CG1-CE1 3.79Å; I552-F578 HydrophobicContact CG1-CZ 4.02Å; I552-F578 HydrophobicContact CG2-CD1 4.04Å; I552-F578 HydrophobicContact CG2-CE1 3.67Å; S566-F578 VanDerWaalsContact O-CA 3.3Å; S566-F578 WeakPolarHBondContact O-CA 3.3Å; A567-F578 HydrophobicContact CB-CD1 3.75Å; A567-F578 HydrophobicContact CB-CE1 3.48Å; A567-F578 VanDerWaalsContact CB-CE1 3.48Å; V576-F578 HydrophobicContact CB-CE2 4.29Å; V576-F578 HydrophobicContact CG1-CD2 4.15Å; V576-F578 HydrophobicContact CG1-CE1 4.32Å; V576-F578 HydrophobicContact CG1-CE2 3.43Å; V576-F578 VanDerWaalsContact CG1-CE2 3.43Å; V576-F578 HydrophobicContact CG1-CZ 3.52Å
579S95.1Very high92.6Very high23 Ų2322.3 Ų22.316%0.16112%0.117CC..EExtended strand (participates in β ladder)trans-128.7125.9178.2-58.10000111.2N535 V565 S566 R584N535-S579 WeakPolarHBondContact OD1-CA 3.2Å; V565-S579 WeakPolarHBondContact CA-O 3.36Å; S566-S579 PolarHBondContact N-O 2.84Å; S566-S579 PolarHBondContact O-N 2.83Å; S566-S579 VanDerWaalsContact O-N 3.16Å; S579-R584 PolarHBondContact O-NH2 3.01Å; S579-R584 VanDerWaalsContact O-NH2 3.07Å
580T94.1Very high92.4Very high1 Ų121.5 Ų21.51%0.00611%0.113CC..  trans-115.5-7173.273.20000112.4G499 L504 N535 V565G499-T580 PolarHBondContact N-O 3.19Å; L504-T580 HydrophobicContact CB-CG2 4.46Å; L504-T580 HydrophobicContact CD2-CG2 3.46Å; L504-T580 VanDerWaalsContact CD2-CG2 3.46Å; N535-T580 PolarHBondContact ND2-OG1 3.01Å; N535-T580 PolarHBondContact OD1-N 3.47Å; V565-T580 HydrophobicContact CG2-CG2 4.13Å
581E91.2Very high92.4Very high24 Ų2419.8 Ų19.811%0.11211%0.105CC..  trans-61.3145.7-179.8-62.4-177.815900112.2N178 Q353 S496 N535 R584N178-E581 PolarHBondContact ND2-OE1 3.45Å; Q353-E581 PolarHBondContact NE2-OE2 3.1Å; S496-E581 PolarHBondContact OG-O 3.18Å; N535-E581 HydrophobicContact CB-CG 3.98Å; E581-R584 PolarHBondContact O-NE 3.06Å; E581-R584 PolarHBondContact O-NH2 3.36Å
582A91.3Very high92.4Very high33 Ų3315.7 Ų15.727%0.2739%0.086SC..SBendtrans-70.1163.2170.800000113.1S496 E498S496-A582 CarbonylContact O-C 3.56Å; S496-A582 VanDerWaalsContact O-CA 3.26Å; S496-A582 WeakPolarHBondContact O-CA 3.38Å; S496-A582 WeakPolarHBondContact O-CB 3.47Å; S496-A582 WeakPolarHBondContact OG-CA 3.37Å; E498-A582 HydrophobicContact CB-CB 4.24Å; E498-A582 WeakPolarHBondContact OE2-CB 3.36Å; E498-A582 PolarHBondContact OE2-N 3.13Å
583G91.4Very high92.2Very high5 Ų516.4 Ų16.45%0.0528%0.083CC..SBendtrans87.50.1173.300000115.1Q353 L354 S496Q353-G583 CarbonylContact C-O 3.49Å; Q353-G583 WeakPolarHBondContact CA-O 3.4Å; L354-G583 PolarHBondContact N-O 2.84Å; L354-G583 VanDerWaalsContact O-CA 3.31Å; L354-G583 WeakPolarHBondContact O-CA 3.08Å; S496-G583 PolarHBondContact O-N 3.35Å; S496-G583 PolarHBondContact OG-N 3.19Å; S496-G583 VanDerWaalsContact OG-N 3.15Å
584R93.3Very high91.8Very high11 Ų1124.8 Ų24.84%0.04212%0.122CC..  trans-77.8147.2173.6-65.3176.1-68.1131.92.1110.1Q353 I495 S496 F564 S566 S579 E581 D627Q353-R584 HydrophobicContact CG-CG 4.39Å; I495-R584 CarbonylContact C-O 3.36Å; I495-R584 WeakPolarHBondContact CA-O 3.29Å; S496-R584 PolarHBondContact N-O 3.38Å; S496-R584 WeakPolarHBondContact OG-CB 3.42Å; S496-R584 PolarHBondContact OG-N 2.96Å; F564-R584 PolarHBondContact O-NH1 2.8Å; F564-R584 PolarHBondContact O-NH2 2.87Å; S566-R584 VanDerWaalsContact CB-NH1 3.28Å; S566-R584 PolarHBondContact OG-NH1 3.43Å; S579-R584 PolarHBondContact O-NH2 3.01Å; S579-R584 VanDerWaalsContact O-NH2 3.07Å; E581-R584 PolarHBondContact O-NE 3.06Å; E581-R584 PolarHBondContact O-NH2 3.36Å; R584-D627 IonicContact CZ-OD2 3.23Å; R584-D627 IonicContact NH1-OD2 3.82Å; R584-D627 PolarHBondContact NH1-OD2 2.7Å
585V92Very high91.4Very high9 Ų922.7 Ų22.76%0.05512%0.123CC..EExtended strand (participates in β ladder)trans-87.7118.4179.1-171.80000109.3Y349 L354 T471 T493Y349-V585 HydrophobicContact CD1-CB 4.47Å; Y349-V585 HydrophobicContact CD1-CG2 4.23Å; Y349-V585 HydrophobicContact CE1-CG2 3.91Å; L354-V585 HydrophobicContact CD1-CG2 3.65Å; L354-V585 HydrophobicContact CG-CG2 3.99Å; T471-V585 HydrophobicContact CG2-CG1 3.81Å; T493-V585 HydrophobicContact CG2-CG1 3.1Å
586C92.3Very high91Very high2 Ų228.9 Ų28.91%0.01415%0.152CC..EExtended strand (participates in β ladder)trans-119.7152.1-176.1-68.70000110.4C494 F564 Y625 L626C494-C586 PolarHBondContact N-O 3.09Å; C494-C586 PolarHBondContact O-N 3.43Å; C494-C586 VanDerWaalsContact O-O 3.11Å; C494-C586 VanDerWaalsContact SG-CB 3.53Å; C494-C586 PolarHBondContact SG-O 3.43Å; C494-C586 VanDerWaalsContact SG-O 3.41Å; F564-C586 HydrophobicContact CD1-CB 4.29Å; F564-C586 HydrophobicContact CE1-CB 4.37Å; C586-Y625 HydrophobicContact CB-CD1 4.31Å; C586-L626 WeakPolarHBondContact CA-O 3.36Å
587K90.8Very high90.5Very high1 Ų129.9 Ų29.90%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-137.7137.4175.6176.5165.5167.3134.50110K470 S492 Y589 Y625 L626 E651 T656K470-K587 HydrophobicContact CB-CD 3.87Å; K470-K587 WeakPolarHBondContact O-CD 3.38Å; S492-K587 WeakPolarHBondContact OG-CE 3.33Å; S492-K587 PolarHBondContact OG-NZ 2.89Å; K587-Y589 HydrophobicContact CB-CE2 3.76Å; K587-Y589 HydrophobicContact CD-CE2 4.36Å; K587-Y589 WeakPolarHBondContact CD-OH 3.42Å; K587-Y589 HydrophobicContact CG-CE2 3.79Å; K587-Y589 WeakPolarHBondContact O-CD2 3.47Å; K587-Y589 VanDerWaalsContact O-CE2 3.3Å; K587-Y589 WeakPolarHBondContact O-CE2 3.42Å; K587-Y625 WeakPolarHBondContact O-CA 3.49Å; K587-L626 PolarHBondContact N-O 3.14Å; K587-L626 PolarHBondContact O-N 3.19Å; K587-E651 WeakPolarHBondContact CE-OE1 3.25Å; K587-E651 IonicContact NZ-OE1 2.73Å; K587-E651 PolarHBondContact NZ-OE1 3.24Å; K587-E651 IonicContact NZ-OE2 3.89Å; K587-T656 PolarHBondContact NZ-OG1 3.07Å
588P90.4Very high90Very high1 Ų130.3 Ų30.31%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-75138.8177.332.1-38.4000111.5F25 S492 F618 I623 E624 Y625 I652F25-P588 HydrophobicContact CD2-CG 4.28Å; F25-P588 HydrophobicContact CE1-CG 4.34Å; F25-P588 HydrophobicContact CE2-CB 4.13Å; F25-P588 HydrophobicContact CE2-CG 3.6Å; F25-P588 HydrophobicContact CZ-CG 3.64Å; S492-P588 WeakPolarHBondContact O-CD 3.31Å; P588-F618 HydrophobicContact CB-CE1 4.32Å; P588-F618 HydrophobicContact CB-CZ 4.48Å; P588-I623 HydrophobicContact CB-CG2 3.69Å; P588-E624 CarbonylContact C-O 3.57Å; P588-E624 WeakPolarHBondContact CA-O 3.49Å; P588-Y625 HydrophobicContact CB-CD1 4.1Å; P588-Y625 HydrophobicContact CB-CE1 3.85Å; P588-Y625 HydrophobicContact CG-CE1 4.21Å; P588-I652 HydrophobicContact CB-CD1 3.91Å; P588-I652 HydrophobicContact CG-CD1 3.88Å
589Y91Very high89.4Confident1 Ų130.4 Ų30.40%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-133.6149.2174-65.1-90000110.6K587 I623 E624 L626 R631 I636 E651K587-Y589 HydrophobicContact CB-CE2 3.76Å; K587-Y589 HydrophobicContact CD-CE2 4.36Å; K587-Y589 WeakPolarHBondContact CD-OH 3.42Å; K587-Y589 HydrophobicContact CG-CE2 3.79Å; K587-Y589 WeakPolarHBondContact O-CD2 3.47Å; K587-Y589 VanDerWaalsContact O-CE2 3.3Å; K587-Y589 WeakPolarHBondContact O-CE2 3.42Å; Y589-I623 VanDerWaalsContact O-CA 3.29Å; Y589-I623 WeakPolarHBondContact O-CA 3.24Å; Y589-I623 WeakPolarHBondContact O-CG2 3.41Å; Y589-E624 PolarHBondContact N-O 2.85Å; Y589-E624 PolarHBondContact O-N 3.43Å; Y589-L626 HydrophobicContact CD2-CB 3.8Å; Y589-L626 HydrophobicContact CD2-CD1 3.54Å; Y589-L626 HydrophobicContact CD2-CG 3.66Å; Y589-L626 HydrophobicContact CE2-CB 3.85Å; Y589-L626 HydrophobicContact CE2-CD1 3.99Å; Y589-L626 HydrophobicContact CE2-CG 4.2Å; Y589-L626 HydrophobicContact CG-CD1 4.04Å; Y589-L626 HydrophobicContact CG-CG 4.48Å; Y589-R631 WeakPolarHBondContact OH-CD 3.03Å; Y589-I636 HydrophobicContact CD1-CD1 4.28Å; Y589-I636 HydrophobicContact CD1-CG2 3.78Å; Y589-I636 HydrophobicContact CE1-CD1 3.75Å; Y589-I636 HydrophobicContact CE1-CG2 3.73Å; Y589-I636 HydrophobicContact CE2-CD1 4.48Å; Y589-E651 WeakPolarHBondContact CE1-OE2 3.49Å
590V90.5Very high88.7Confident5 Ų534.1 Ų34.13%0.0318%0.175CC..EExtended strand (participates in β ladder)trans-79.3131.1174.1178.70000109.1P597 I599 H649 L650 I652V590-P597 HydrophobicContact CG1-CB 4Å; V590-I599 HydrophobicContact CB-CD1 4.28Å; V590-I599 HydrophobicContact CG1-CB 4.3Å; V590-I599 HydrophobicContact CG1-CD1 3.66Å; V590-I599 HydrophobicContact CG1-CG1 3.88Å; V590-I599 HydrophobicContact CG2-CD1 3.78Å; V590-H649 CarbonylContact O-C 3.6Å; V590-H649 WeakPolarHBondContact O-CA 3.3Å; V590-L650 HydrophobicContact CB-CB 4.19Å; V590-L650 PolarHBondContact N-O 3.43Å; V590-L650 PolarHBondContact O-N 3.4Å; V590-I652 HydrophobicContact CG2-CG1 3.94Å
591L91.8Very high88Confident9 Ų939.8 Ų39.85%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-73136.4176.8-80.5160.3000111.5Q557 P597 R598 G621 F622 E624 H649Q557-L591 HydrophobicContact CG-CD1 3.82Å; L591-P597 WeakPolarHBondContact O-CA 3.4Å; L591-R598 HydrophobicContact CB-CG 4.46Å; L591-R598 PolarHBondContact O-N 2.93Å; L591-G621 WeakPolarHBondContact CD1-O 3.48Å; L591-F622 PolarHBondContact N-O 2.87Å; L591-E624 HydrophobicContact CD1-CB 4.13Å; L591-E624 HydrophobicContact CD1-CG 4.08Å; L591-E624 HydrophobicContact CD2-CG 3.92Å; L591-E624 HydrophobicContact CG-CB 4.47Å; L591-E624 HydrophobicContact CG-CG 3.93Å; L591-H649 WeakPolarHBondContact CD2-NE2 3.21Å
592I90.7Very high87.7Confident14 Ų1443.6 Ų43.67%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-109.4129.1172.8-70172.1000109.3Q596 V643 T647 T648 L650I592-Q596 CarbonylContact C-O 3.6Å; I592-Q596 WeakPolarHBondContact CA-O 3.36Å; I592-V643 HydrophobicContact CD1-CB 4.44Å; I592-V643 HydrophobicContact CD1-CG1 3.85Å; I592-V643 HydrophobicContact CD1-CG2 3.71Å; I592-V643 HydrophobicContact CG2-CG1 4.29Å; I592-T647 HydrophobicContact CD1-CG2 3.51Å; I592-T647 WeakPolarHBondContact CG2-O 3.21Å; I592-T648 PolarHBondContact N-O 2.84Å; I592-L650 HydrophobicContact CD1-CB 3.69Å; I592-L650 HydrophobicContact CG1-CB 4.06Å
593E85.4Confident87.3Confident88 Ų8842.7 Ų42.741%0.41121%0.206SC..EExtended strand (participates in β ladder)trans-118.9133.9167.8-79.8-171.4143.200110.6G595 Q596 R598E593-G595 PolarHBondContact O-N 2.89Å; E593-Q596 PolarHBondContact N-O 3.35Å; E593-Q596 PolarHBondContact O-N 3.19Å; E593-R598 HydrophobicContact CB-CG 4.24Å; E593-R598 VanDerWaalsContact CD-CZ 3.43Å; E593-R598 HydrophobicContact CG-CG 3.98Å; E593-R598 VanDerWaalsContact CG-NE 3.34Å; E593-R598 IonicContact OE1-CZ 3.54Å; E593-R598 VanDerWaalsContact OE1-CZ 3.28Å; E593-R598 IonicContact OE1-NE 3.96Å; E593-R598 PolarHBondContact OE1-NE 3.42Å; E593-R598 IonicContact OE1-NH2 2.87Å; E593-R598 PolarHBondContact OE1-NH2 3.31Å; E593-R598 WeakPolarHBondContact OE2-CG 3.49Å; E593-R598 IonicContact OE2-CZ 3.83Å; E593-R598 IonicContact OE2-NE 2.71Å; E593-R598 PolarHBondContact OE2-NE 3.42Å; E593-R598 IonicContact OE2-NH2 3.98Å
594H82.5Confident86.5Confident189 Ų18943 Ų4388%0.87521%0.206SC*.THydrogen-bonded Turntrans50.833.1176.6-54.9-59.7000114.4Q596H594-Q596 VanDerWaalsContact C-N 3.34Å
595G82.7Confident85.9Confident27 Ų2745.6 Ų45.628%0.27822%0.22SC..THydrogen-bonded Turntrans78.910.4-179.600000114.9E593 V643E593-G595 PolarHBondContact O-N 2.89Å; G595-V643 WeakPolarHBondContact O-CG1 3.21Å
596Q85.6Confident85.5Confident130 Ų13046.8 Ų46.861%0.60723%0.226SC*.EExtended strand (participates in β ladder)trans-123140.6173.3-62-168.8-7.400110.8I592 E593 H594 R598I592-Q596 CarbonylContact C-O 3.6Å; I592-Q596 WeakPolarHBondContact CA-O 3.36Å; E593-Q596 PolarHBondContact N-O 3.35Å; E593-Q596 PolarHBondContact O-N 3.19Å; H594-Q596 VanDerWaalsContact C-N 3.34Å; Q596-R598 PolarHBondContact O-N 2.98Å
597P86Confident84.8Confident21 Ų2147.4 Ų47.414%0.13623%0.229CC..EExtended strand (participates in β ladder)trans-62.8135.6171.727.6-32.6000109.4L15 V590 L591 I599 L650L15-P597 HydrophobicContact CD1-CG 4.32Å; V590-P597 HydrophobicContact CG1-CB 4Å; L591-P597 WeakPolarHBondContact O-CA 3.4Å; P597-I599 PolarHBondContact O-N 3.3Å; P597-L650 HydrophobicContact CB-CD2 4.19Å
598R85.4Confident84.1Confident41 Ų4151 Ų5116%0.15526%0.259CS..SBendtrans-60.8-25.1174.5-77.3-174.7172.6160.710.2112.2L591 E593 Q596 E600 G621 F622L591-R598 HydrophobicContact CB-CG 4.46Å; L591-R598 PolarHBondContact O-N 2.93Å; E593-R598 HydrophobicContact CB-CG 4.24Å; E593-R598 VanDerWaalsContact CD-CZ 3.43Å; E593-R598 HydrophobicContact CG-CG 3.98Å; E593-R598 VanDerWaalsContact CG-NE 3.34Å; E593-R598 IonicContact OE1-CZ 3.54Å; E593-R598 VanDerWaalsContact OE1-CZ 3.28Å; E593-R598 IonicContact OE1-NE 3.96Å; E593-R598 PolarHBondContact OE1-NE 3.42Å; E593-R598 IonicContact OE1-NH2 2.87Å; E593-R598 PolarHBondContact OE1-NH2 3.31Å; E593-R598 WeakPolarHBondContact OE2-CG 3.49Å; E593-R598 IonicContact OE2-CZ 3.83Å; E593-R598 IonicContact OE2-NE 2.71Å; E593-R598 PolarHBondContact OE2-NE 3.42Å; E593-R598 IonicContact OE2-NH2 3.98Å; Q596-R598 PolarHBondContact O-N 2.98Å; R598-E600 PolarHBondContact O-N 2.87Å; R598-G621 WeakPolarHBondContact CD-O 3.44Å; R598-G621 PolarHBondContact NH1-O 2.85Å; R598-F622 HydrophobicContact CB-CD1 3.95Å; R598-F622 HydrophobicContact CB-CE1 4.42Å; R598-F622 WeakPolarHBondContact O-CE1 3.33Å
599I83.4Confident83.7Confident4 Ų457.9 Ų57.92%0.02129%0.285CS..  trans-80118.4177.3-56.4175.2000110.4Y21 V590 P597 H603 M604 F617 F622 I623Y21-I599 HydrophobicContact CE1-CD1 3.94Å; Y21-I599 HydrophobicContact CE1-CG2 3.94Å; Y21-I599 WeakPolarHBondContact OH-CG2 3.49Å; V590-I599 HydrophobicContact CB-CD1 4.28Å; V590-I599 HydrophobicContact CG1-CB 4.3Å; V590-I599 HydrophobicContact CG1-CD1 3.66Å; V590-I599 HydrophobicContact CG1-CG1 3.88Å; V590-I599 HydrophobicContact CG2-CD1 3.78Å; P597-I599 PolarHBondContact O-N 3.3Å; I599-H603 HydrophobicContact CG2-CB 4.36Å; I599-M604 HydrophobicContact CG2-SD 4.35Å; I599-F617 HydrophobicContact CD1-CD1 4.13Å; I599-F617 HydrophobicContact CD1-CE1 4.38Å; I599-F617 HydrophobicContact CG2-CE1 4.36Å; I599-F622 HydrophobicContact CD1-CB 4.06Å; I599-F622 HydrophobicContact CG1-CB 3.66Å; I599-F622 HydrophobicContact CG1-CD1 3.89Å; I599-F622 HydrophobicContact CG1-CG 4Å; I599-I623 HydrophobicContact CD1-CD1 4.12Å; I599-I623 HydrophobicContact CD1-CG1 3.73Å
600E81.4Confident83.1Confident101 Ų10160.9 Ų60.947%0.47232%0.316SS..  trans-100.1162.1170.8-67.5175.9-15900111.2R598 K602 H603R598-E600 PolarHBondContact O-N 2.87Å; E600-K602 HydrophobicContact CB-CD 4.46Å; E600-K602 HydrophobicContact CB-CG 4.1Å; E600-K602 PolarHBondContact O-N 2.9Å; E600-K602 IonicContact OE1-NZ 2.71Å; E600-K602 VanDerWaalsContact OE2-CD 3.27Å; E600-K602 WeakPolarHBondContact OE2-CD 3.41Å; E600-K602 WeakPolarHBondContact OE2-CE 3.37Å; E600-K602 IonicContact OE2-NZ 3.51Å; E600-K602 PolarHBondContact OE2-NZ 2.89Å; E600-H603 PolarHBondContact N-ND1 2.93Å; E600-H603 WeakPolarHBondContact O-CB 3.29Å; E600-H603 PolarHBondContact O-N 2.87Å; E600-H603 VanDerWaalsContact O-N 3.08Å
601K78.8Confident82.6Confident120 Ų12066.3 Ų66.352%0.52234%0.341SS..Hα-helixtrans-56.5-35.1177.6-172.5179176.1-175.10113.1H603 M604 D605K601-H603 PolarHBondContact O-N 2.69Å; K601-M604 WeakPolarHBondContact O-CA 3.45Å; K601-M604 VanDerWaalsContact O-CB 3.28Å; K601-M604 WeakPolarHBondContact O-CB 3.41Å; K601-M604 PolarHBondContact O-N 2.81Å; K601-D605 PolarHBondContact O-N 3.42Å
602K84.8Confident81.8Confident104 Ų10469.8 Ų69.845%0.45235%0.354SS..Hα-helixtrans-55.8-38.1177.473.6-169.5-177.9-154.20112.5E600 M604 D605 E606E600-K602 HydrophobicContact CB-CD 4.46Å; E600-K602 HydrophobicContact CB-CG 4.1Å; E600-K602 PolarHBondContact O-N 2.9Å; E600-K602 IonicContact OE1-NZ 2.71Å; E600-K602 VanDerWaalsContact OE2-CD 3.27Å; E600-K602 WeakPolarHBondContact OE2-CD 3.41Å; E600-K602 WeakPolarHBondContact OE2-CE 3.37Å; E600-K602 IonicContact OE2-NZ 3.51Å; E600-K602 PolarHBondContact OE2-NZ 2.89Å; K602-M604 VanDerWaalsContact C-N 3.29Å; K602-M604 PolarHBondContact O-N 3.46Å; K602-D605 PolarHBondContact O-N 3.1Å; K602-E606 WeakPolarHBondContact O-CG 3.41Å; K602-E606 PolarHBondContact O-N 2.91Å; K602-E606 VanDerWaalsContact O-N 3.08Å
603H83.4Confident81.2Confident14 Ų1473.1 Ų73.17%0.06537%0.374CS..Hα-helixtrans-67.8-34.4178.8-54.4144.9000110.8I599 E600 K601 E606 V607 F617 F622I599-H603 HydrophobicContact CG2-CB 4.36Å; E600-H603 PolarHBondContact N-ND1 2.93Å; E600-H603 WeakPolarHBondContact O-CB 3.29Å; E600-H603 PolarHBondContact O-N 2.87Å; E600-H603 VanDerWaalsContact O-N 3.08Å; K601-H603 PolarHBondContact O-N 2.69Å; H603-E606 WeakPolarHBondContact CA-OE2 3.43Å; H603-E606 IonicContact CD2-OE2 3.01Å; H603-E606 PolarHBondContact O-N 2.59Å; H603-V607 WeakPolarHBondContact O-CG2 3.25Å; H603-V607 PolarHBondContact O-N 3.25Å; H603-F617 HydrophobicContact CB-CE1 4.17Å; H603-F617 HydrophobicContact CB-CZ 3.98Å; H603-F622 AromaticContact CE1-CE1 3.25Å; H603-F622 WeakPolarHBondContact CE1-CE1 3.21Å; H603-F622 AromaticContact CE1-CZ 3.24Å; H603-F622 WeakPolarHBondContact CE1-CZ 3.47Å; H603-F622 AromaticContact ND1-CE1 3.45Å; H603-F622 WeakPolarHBondContact ND1-CE1 3.31Å; H603-F622 AromaticContact ND1-CZ 3.54Å; H603-F622 AromaticContact NE2-CZ 3.62Å
604M74.7Confident80.7Confident11 Ų1169.1 Ų69.15%0.05436%0.356CS..Hα-helixtrans-66.8-43.5174.4-60.7-50.4-7100112.4Q20 Y21 I599 K601 K602 E606 V607 A608Q20-M604 HydrophobicContact CB-CE 4.02Å; Y21-M604 HydrophobicContact CD1-CE 3.41Å; Y21-M604 VanDerWaalsContact CD1-CE 3.41Å; Y21-M604 HydrophobicContact CD1-SD 3.52Å; Y21-M604 VanDerWaalsContact CD1-SD 3.52Å; Y21-M604 HydrophobicContact CE1-CE 3.41Å; Y21-M604 VanDerWaalsContact CE1-CE 3.41Å; Y21-M604 HydrophobicContact CE1-CG 4.23Å; Y21-M604 HydrophobicContact CE1-SD 2.88Å; Y21-M604 WeakPolarHBondContact CE1-SD 3.23Å; Y21-M604 HydrophobicContact CE2-CE 4.48Å; Y21-M604 HydrophobicContact CG-CE 4.01Å; Y21-M604 PolarHBondContact OH-SD 3.2Å; I599-M604 HydrophobicContact CG2-SD 4.35Å; K601-M604 WeakPolarHBondContact O-CA 3.45Å; K601-M604 VanDerWaalsContact O-CB 3.28Å; K601-M604 WeakPolarHBondContact O-CB 3.41Å; K601-M604 PolarHBondContact O-N 2.81Å; K602-M604 VanDerWaalsContact C-N 3.29Å; K602-M604 PolarHBondContact O-N 3.46Å; M604-E606 PolarHBondContact O-N 2.92Å; M604-V607 PolarHBondContact O-N 3.25Å; M604-A608 WeakPolarHBondContact O-CB 3.22Å; M604-A608 PolarHBondContact O-N 3.45Å
605D81.2Confident80.6Confident65 Ų6563.3 Ų63.335%0.34833%0.331SS..Hα-helixtrans-64.2-32.7179-58.5-31.4000110.6K601 K602 R609K601-D605 PolarHBondContact O-N 3.42Å; K602-D605 PolarHBondContact O-N 3.1Å; D605-R609 WeakPolarHBondContact O-CB 3.39Å; D605-R609 VanDerWaalsContact O-CG 3.25Å; D605-R609 WeakPolarHBondContact O-CG 3.36Å; D605-R609 PolarHBondContact O-N 2.79Å; D605-R609 VanDerWaalsContact O-N 3.11Å
606E82.9Confident80.6Confident35 Ų3566.7 Ų66.716%0.16434%0.339CS..Hα-helixtrans-66.6-41.8173.3-69.3167.8150.800112.8K602 H603 M604 R609 G610 E611 R612K602-E606 WeakPolarHBondContact O-CG 3.41Å; K602-E606 PolarHBondContact O-N 2.91Å; K602-E606 VanDerWaalsContact O-N 3.08Å; H603-E606 WeakPolarHBondContact CA-OE2 3.43Å; H603-E606 IonicContact CD2-OE2 3.01Å; H603-E606 PolarHBondContact O-N 2.59Å; M604-E606 PolarHBondContact O-N 2.92Å; E606-R609 PolarHBondContact O-N 2.91Å; E606-G610 PolarHBondContact O-N 2.88Å; E606-E611 HydrophobicContact CB-CB 4.44Å; E606-E611 WeakPolarHBondContact O-CB 3.37Å; E606-E611 PolarHBondContact O-N 2.87Å; E606-R612 HydrophobicContact CB-CG 4.25Å; E606-R612 VanDerWaalsContact CD-CZ 3.45Å; E606-R612 VanDerWaalsContact CD-NH2 3.28Å; E606-R612 IonicContact OE1-CZ 3.2Å; E606-R612 IonicContact OE1-NE 2.86Å; E606-R612 IonicContact OE1-NH2 2.6Å; E606-R612 PolarHBondContact OE1-NH2 3.12Å; E606-R612 WeakPolarHBondContact OE2-CD 3.44Å; E606-R612 IonicContact OE2-CZ 3.16Å; E606-R612 IonicContact OE2-NE 3.65Å; E606-R612 PolarHBondContact OE2-NE 2.93Å; E606-R612 IonicContact OE2-NH1 2.75Å; E606-R612 PolarHBondContact OE2-NH1 3.44Å; E606-R612 IonicContact OE2-NH2 2.6Å; E606-R612 PolarHBondContact OE2-NH2 3.26Å
607V77.5Confident80.5Confident14 Ų1460.6 Ų60.69%0.08531%0.311CS..Hα-helixtrans-71.5-40.5177.6-160.60000111.3E24 H603 M604 R609 G610 R612 F617E24-V607 HydrophobicContact CG-CG1 4.17Å; E24-V607 WeakPolarHBondContact OE1-CB 3.38Å; E24-V607 WeakPolarHBondContact OE1-CG1 3.35Å; E24-V607 WeakPolarHBondContact OE2-CB 3.37Å; E24-V607 WeakPolarHBondContact OE2-CG1 3.46Å; H603-V607 WeakPolarHBondContact O-CG2 3.25Å; H603-V607 PolarHBondContact O-N 3.25Å; M604-V607 PolarHBondContact O-N 3.25Å; V607-R609 PolarHBondContact O-N 2.92Å; V607-G610 WeakPolarHBondContact O-CA 3.31Å; V607-G610 PolarHBondContact O-N 3.2Å; V607-R612 HydrophobicContact CG2-CB 4.42Å; V607-F617 HydrophobicContact CG2-CD2 4.39Å; V607-F617 HydrophobicContact CG2-CE2 3.24Å; V607-F617 HydrophobicContact CG2-CZ 3.34Å
608A77.1Confident80.4Confident77 Ų7760 Ų6064%0.63631%0.306SS*.Hα-helixtrans-61.3-29.7175.800000112.7M604 G610M604-A608 WeakPolarHBondContact O-CB 3.22Å; M604-A608 PolarHBondContact O-N 3.45Å; A608-G610 VanDerWaalsContact C-N 3.31Å
609R81.8Confident80.3Confident146 Ų14661.3 Ų61.355%0.55132%0.319SS*.THydrogen-bonded Turntrans-80.9-6.8172.3-72.7-169.4-55.5-94.8-4.1113.8D605 E606 V607 E611D605-R609 WeakPolarHBondContact O-CB 3.39Å; D605-R609 VanDerWaalsContact O-CG 3.25Å; D605-R609 WeakPolarHBondContact O-CG 3.36Å; D605-R609 PolarHBondContact O-N 2.79Å; D605-R609 VanDerWaalsContact O-N 3.11Å; E606-R609 PolarHBondContact O-N 2.91Å; V607-R609 PolarHBondContact O-N 2.92Å; R609-E611 VanDerWaalsContact C-N 3.29Å; R609-E611 HydrophobicContact CB-CG 3.97Å; R609-E611 IonicContact CZ-OE1 3.51Å; R609-E611 IonicContact CZ-OE2 2.81Å; R609-E611 IonicContact NE-OE1 2.7Å; R609-E611 PolarHBondContact NE-OE1 2.82Å; R609-E611 IonicContact NE-OE2 3.99Å; R609-E611 PolarHBondContact NE-OE2 2.64Å; R609-E611 IonicContact NH2-OE1 3.72Å; R609-E611 IonicContact NH2-OE2 2.92Å; R609-E611 PolarHBondContact NH2-OE2 2.93Å
610G77.9Confident80.3Confident64 Ų6464 Ų6466%0.6634%0.336SS*.THydrogen-bonded Turntrans73.715.6-175.300000114.2E606 V607 A608E606-G610 PolarHBondContact O-N 2.88Å; V607-G610 WeakPolarHBondContact O-CA 3.31Å; V607-G610 PolarHBondContact O-N 3.2Å; A608-G610 VanDerWaalsContact C-N 3.31Å
611E80.5Confident80.5Confident118 Ų11859.2 Ų59.255%0.55131%0.313SS*.SBendtrans-78.1-23.5-178.4-67.2169.8-179.500112.4E606 R609E606-E611 HydrophobicContact CB-CB 4.44Å; E606-E611 WeakPolarHBondContact O-CB 3.37Å; E606-E611 PolarHBondContact O-N 2.87Å; R609-E611 VanDerWaalsContact C-N 3.29Å; R609-E611 HydrophobicContact CB-CG 3.97Å; R609-E611 IonicContact CZ-OE1 3.51Å; R609-E611 IonicContact CZ-OE2 2.81Å; R609-E611 IonicContact NE-OE1 2.7Å; R609-E611 PolarHBondContact NE-OE1 2.82Å; R609-E611 IonicContact NE-OE2 3.99Å; R609-E611 PolarHBondContact NE-OE2 2.64Å; R609-E611 IonicContact NH2-OE1 3.72Å; R609-E611 IonicContact NH2-OE2 2.92Å; R609-E611 PolarHBondContact NH2-OE2 2.93Å
612R74.8Confident80.9Confident82 Ų8254.7 Ų54.731%0.30929%0.293SS..SBendtrans-128.7141177.3-69.1-171.7-175.6-178.314.9110.7E606 V607E606-R612 HydrophobicContact CB-CG 4.25Å; E606-R612 VanDerWaalsContact CD-CZ 3.45Å; E606-R612 VanDerWaalsContact CD-NH2 3.28Å; E606-R612 IonicContact OE1-CZ 3.2Å; E606-R612 IonicContact OE1-NE 2.86Å; E606-R612 IonicContact OE1-NH2 2.6Å; E606-R612 PolarHBondContact OE1-NH2 3.12Å; E606-R612 WeakPolarHBondContact OE2-CD 3.44Å; E606-R612 IonicContact OE2-CZ 3.16Å; E606-R612 IonicContact OE2-NE 3.65Å; E606-R612 PolarHBondContact OE2-NE 2.93Å; E606-R612 IonicContact OE2-NH1 2.75Å; E606-R612 PolarHBondContact OE2-NH1 3.44Å; E606-R612 IonicContact OE2-NH2 2.6Å; E606-R612 PolarHBondContact OE2-NH2 3.26Å; V607-R612 HydrophobicContact CG2-CB 4.42Å
613V77.3Confident81.1Confident84 Ų8449.8 Ų49.851%0.50927%0.272SS..  trans-83.5135.1170.8-178.10000108.6D615 H616V613-D615 HydrophobicContact CG1-CB 4.29Å; V613-D615 PolarHBondContact O-N 3.3Å; V613-D615 VanDerWaalsContact O-N 3.08Å; V613-H616 VanDerWaalsContact O-CB 3.24Å; V613-H616 WeakPolarHBondContact O-CB 3.35Å; V613-H616 PolarHBondContact O-N 2.91Å
614F76.1Confident81.5Confident4 Ų449.5 Ų49.52%0.01827%0.271CS..THydrogen-bonded Turntrans-55.3-31.4-178.2-170.8-83000113.1Y21 E24 F25 T28 H616 F617 F618 I623Y21-F614 HydrophobicContact CD1-CE2 4.25Å; E24-F614 HydrophobicContact CB-CB 4.4Å; E24-F614 HydrophobicContact CB-CD2 3.82Å; E24-F614 HydrophobicContact CB-CG 4.37Å; F25-F614 HydrophobicContact CB-CE1 4.03Å; F25-F614 HydrophobicContact CB-CE2 4.29Å; F25-F614 HydrophobicContact CB-CZ 3.83Å; F25-F614 HydrophobicContact CD2-CD1 4.44Å; F25-F614 AromaticContact CD2-CE1 3.63Å; F25-F614 HydrophobicContact CD2-CE1 3.63Å; F25-F614 HydrophobicContact CD2-CZ 4.04Å; F25-F614 HydrophobicContact CG-CE1 4.34Å; F25-F614 HydrophobicContact CG-CZ 4.41Å; T28-F614 HydrophobicContact CG2-CB 3.76Å; F614-H616 PolarHBondContact O-N 3.05Å; F614-H616 VanDerWaalsContact O-N 3.12Å; F614-F617 VanDerWaalsContact O-CB 3.27Å; F614-F617 WeakPolarHBondContact O-CB 3.38Å; F614-F617 PolarHBondContact O-N 3.47Å; F614-F618 HydrophobicContact CD1-CE2 4.02Å; F614-F618 AromaticContact CE1-CE2 3.83Å; F614-F618 HydrophobicContact CE1-CE2 3.83Å; F614-F618 AromaticContact CE1-CZ 3.98Å; F614-F618 HydrophobicContact CE1-CZ 3.98Å; F614-I623 HydrophobicContact CE1-CD1 4.01Å; F614-I623 HydrophobicContact CE2-CD1 4.11Å; F614-I623 HydrophobicContact CZ-CD1 3.42Å; F614-I623 VanDerWaalsContact CZ-CD1 3.42Å
615D79.1Confident82.3Confident67 Ų6749.1 Ų49.136%0.35827%0.269SS..THydrogen-bonded Turntrans-60.5-24.4176.6-159.653.4000112.9K563 V613 F617 F618K563-D615 IonicContact NZ-OD1 3.57Å; K563-D615 PolarHBondContact NZ-OD1 3.31Å; V613-D615 HydrophobicContact CG1-CB 4.29Å; V613-D615 PolarHBondContact O-N 3.3Å; V613-D615 VanDerWaalsContact O-N 3.08Å; D615-F617 PolarHBondContact O-N 2.66Å; D615-F618 PolarHBondContact O-N 2.89Å
616H82.5Confident82.9Confident98 Ų9846.1 Ų46.145%0.45425%0.253SS..Hα-helixtrans-65.9-20.9173.9-67.837.1000112.4V613 F614 F618 T619 T620V613-H616 VanDerWaalsContact O-CB 3.24Å; V613-H616 WeakPolarHBondContact O-CB 3.35Å; V613-H616 PolarHBondContact O-N 2.91Å; F614-H616 PolarHBondContact O-N 3.05Å; F614-H616 VanDerWaalsContact O-N 3.12Å; H616-F618 PolarHBondContact O-N 3.46Å; H616-T619 WeakPolarHBondContact CA-OG1 3.43Å; H616-T619 PolarHBondContact O-N 2.87Å; H616-T619 PolarHBondContact O-OG1 2.84Å; H616-T619 VanDerWaalsContact O-OG1 3.12Å; H616-T620 WeakPolarHBondContact O-CB 3.46Å; H616-T620 WeakPolarHBondContact O-CG2 3.5Å; H616-T620 PolarHBondContact O-N 3.03Å; H616-T620 PolarHBondContact O-OG1 3.13Å
617F84.1Confident83.5Confident2 Ų244.5 Ų44.51%0.00925%0.245CC..Hα-helixtrans-67-25.4176.6-77.9-120.3000112.1I599 H603 V607 F614 D615 F622 I623I599-F617 HydrophobicContact CD1-CD1 4.13Å; I599-F617 HydrophobicContact CD1-CE1 4.38Å; I599-F617 HydrophobicContact CG2-CE1 4.36Å; H603-F617 HydrophobicContact CB-CE1 4.17Å; H603-F617 HydrophobicContact CB-CZ 3.98Å; V607-F617 HydrophobicContact CG2-CD2 4.39Å; V607-F617 HydrophobicContact CG2-CE2 3.24Å; V607-F617 HydrophobicContact CG2-CZ 3.34Å; F614-F617 VanDerWaalsContact O-CB 3.27Å; F614-F617 WeakPolarHBondContact O-CB 3.38Å; F614-F617 PolarHBondContact O-N 3.47Å; D615-F617 PolarHBondContact O-N 2.66Å; F617-F622 HydrophobicContact CB-CB 4.11Å; F617-F622 HydrophobicContact CD1-CB 3.75Å; F617-F622 AromaticContact CD1-CD2 3.97Å; F617-F622 HydrophobicContact CD1-CD2 3.97Å; F617-F622 HydrophobicContact CD1-CG 4.11Å; F617-F622 HydrophobicContact CE1-CD2 4.34Å; F617-F622 HydrophobicContact CG-CB 4.26Å; F617-F622 HydrophobicContact CG-CD2 4.19Å; F617-F622 WeakPolarHBondContact O-CB 3.43Å; F617-F622 PolarHBondContact O-N 2.98Å; F617-I623 HydrophobicContact CB-CB 4.5Å; F617-I623 HydrophobicContact CB-CD1 4.04Å; F617-I623 HydrophobicContact CB-CG1 4.18Å; F617-I623 HydrophobicContact CD1-CD1 4.13Å; F617-I623 HydrophobicContact CD1-CG1 4.4Å; F617-I623 HydrophobicContact CG-CD1 4.46Å; F617-I623 PolarHBondContact O-N 3.08Å; F617-I623 VanDerWaalsContact O-N 3.12Å
618F84Confident84.2Confident9 Ų944.1 Ų44.14%0.03924%0.243CC..Hα-helixtrans-77.8-38.2173.7-61.6-73.4000112.1F25 K563 P588 F614 D615 H616 I623 Y625F25-F618 HydrophobicContact CE2-CZ 4.34Å; K563-F618 HydrophobicContact CD-CB 4.43Å; K563-F618 HydrophobicContact CD-CG 4.47Å; P588-F618 HydrophobicContact CB-CE1 4.32Å; P588-F618 HydrophobicContact CB-CZ 4.48Å; F614-F618 HydrophobicContact CD1-CE2 4.02Å; F614-F618 AromaticContact CE1-CE2 3.83Å; F614-F618 HydrophobicContact CE1-CE2 3.83Å; F614-F618 AromaticContact CE1-CZ 3.98Å; F614-F618 HydrophobicContact CE1-CZ 3.98Å; D615-F618 PolarHBondContact O-N 2.89Å; H616-F618 PolarHBondContact O-N 3.46Å; F618-I623 HydrophobicContact CD1-CB 4.2Å; F618-I623 HydrophobicContact CD1-CG2 4.1Å; F618-I623 WeakPolarHBondContact CD1-O 3.31Å; F618-I623 HydrophobicContact CE1-CB 4Å; F618-I623 HydrophobicContact CE1-CG2 3.46Å; F618-I623 VanDerWaalsContact CE1-CG2 3.46Å; F618-I623 HydrophobicContact CZ-CG2 4.06Å; F618-Y625 AromaticContact CD1-CD2 3.78Å; F618-Y625 HydrophobicContact CD1-CD2 3.78Å; F618-Y625 AromaticContact CD1-CE2 3.48Å; F618-Y625 HydrophobicContact CD1-CE2 3.48Å; F618-Y625 VanDerWaalsContact CD1-CE2 3.48Å; F618-Y625 HydrophobicContact CD2-CE2 4.32Å; F618-Y625 HydrophobicContact CE1-CD1 4.5Å; F618-Y625 AromaticContact CE1-CD2 3.6Å; F618-Y625 HydrophobicContact CE1-CD2 3.6Å; F618-Y625 HydrophobicContact CE1-CE1 4.09Å; F618-Y625 AromaticContact CE1-CE2 3.07Å; F618-Y625 HydrophobicContact CE1-CE2 3.07Å; F618-Y625 HydrophobicContact CE1-CG 4.28Å; F618-Y625 AromaticContact CE1-CZ 3.37Å; F618-Y625 HydrophobicContact CE2-CE2 4.01Å; F618-Y625 HydrophobicContact CG-CE2 4.09Å; F618-Y625 HydrophobicContact CZ-CD2 4.35Å; F618-Y625 HydrophobicContact CZ-CE1 4.19Å; F618-Y625 AromaticContact CZ-CE2 3.4Å; F618-Y625 HydrophobicContact CZ-CE2 3.4Å; F618-Y625 VanDerWaalsContact CZ-CE2 3.4Å; F618-Y625 AromaticContact CZ-CZ 3.3Å; F618-Y625 WeakPolarHBondContact CZ-OH 3.41Å
619T82.6Confident85Confident69 Ų6940.9 Ų40.942%0.42322%0.215SC..Hα-helixtrans-81.6-17.1-178.357.40000113.8Q557 Y558 H616Q557-T619 CarbonylContact O-C 3.56Å; Q557-T619 VanDerWaalsContact O-O 3.14Å; Y558-T619 CarbonylContact C-O 3.56Å; H616-T619 WeakPolarHBondContact CA-OG1 3.43Å; H616-T619 PolarHBondContact O-N 2.87Å; H616-T619 PolarHBondContact O-OG1 2.84Å; H616-T619 VanDerWaalsContact O-OG1 3.12Å
620T84.2Confident85.6Confident60 Ų6034 Ų3437%0.36819%0.189SC..THydrogen-bonded Turntrans-99.84.4176.853.20000113.2H616 F622H616-T620 WeakPolarHBondContact O-CB 3.46Å; H616-T620 WeakPolarHBondContact O-CG2 3.5Å; H616-T620 PolarHBondContact O-N 3.03Å; H616-T620 PolarHBondContact O-OG1 3.13Å; T620-F622 WeakPolarHBondContact OG1-CD2 3.46Å; T620-F622 VanDerWaalsContact OG1-CE2 3.23Å; T620-F622 WeakPolarHBondContact OG1-CE2 3.41Å
621G85.2Confident86.3Confident0 Ų032.1 Ų32.10%016%0.162CC..THydrogen-bonded Turntrans7129.1175.500000114.5Q557 L591 R598Q557-G621 WeakPolarHBondContact O-CA 3.36Å; Q557-G621 PolarHBondContact O-N 3.18Å; L591-G621 WeakPolarHBondContact CD1-O 3.48Å; R598-G621 WeakPolarHBondContact CD-O 3.44Å; R598-G621 PolarHBondContact NH1-O 2.85Å
622F87.8Confident86.8Confident25 Ų2531.3 Ų31.311%0.1116%0.162CC..SBendtrans-86.1-40.9172.8-73.2-52.4000112.5L591 R598 I599 H603 F617 T620L591-F622 PolarHBondContact N-O 2.87Å; R598-F622 HydrophobicContact CB-CD1 3.95Å; R598-F622 HydrophobicContact CB-CE1 4.42Å; R598-F622 WeakPolarHBondContact O-CE1 3.33Å; I599-F622 HydrophobicContact CD1-CB 4.06Å; I599-F622 HydrophobicContact CG1-CB 3.66Å; I599-F622 HydrophobicContact CG1-CD1 3.89Å; I599-F622 HydrophobicContact CG1-CG 4Å; H603-F622 AromaticContact CE1-CE1 3.25Å; H603-F622 WeakPolarHBondContact CE1-CE1 3.21Å; H603-F622 AromaticContact CE1-CZ 3.24Å; H603-F622 WeakPolarHBondContact CE1-CZ 3.47Å; H603-F622 AromaticContact ND1-CE1 3.45Å; H603-F622 WeakPolarHBondContact ND1-CE1 3.31Å; H603-F622 AromaticContact ND1-CZ 3.54Å; H603-F622 AromaticContact NE2-CZ 3.62Å; F617-F622 HydrophobicContact CB-CB 4.11Å; F617-F622 HydrophobicContact CD1-CB 3.75Å; F617-F622 AromaticContact CD1-CD2 3.97Å; F617-F622 HydrophobicContact CD1-CD2 3.97Å; F617-F622 HydrophobicContact CD1-CG 4.11Å; F617-F622 HydrophobicContact CE1-CD2 4.34Å; F617-F622 HydrophobicContact CG-CB 4.26Å; F617-F622 HydrophobicContact CG-CD2 4.19Å; F617-F622 WeakPolarHBondContact O-CB 3.43Å; F617-F622 PolarHBondContact O-N 2.98Å; T620-F622 WeakPolarHBondContact OG1-CD2 3.46Å; T620-F622 VanDerWaalsContact OG1-CE2 3.23Å; T620-F622 WeakPolarHBondContact OG1-CE2 3.41Å
623I89.3Confident87.5Confident2 Ų230 Ų301%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-127.5137.5-178.6-58.3177.9000107.4P588 Y589 I599 F614 F617 F618P588-I623 HydrophobicContact CB-CG2 3.69Å; Y589-I623 VanDerWaalsContact O-CA 3.29Å; Y589-I623 WeakPolarHBondContact O-CA 3.24Å; Y589-I623 WeakPolarHBondContact O-CG2 3.41Å; I599-I623 HydrophobicContact CD1-CD1 4.12Å; I599-I623 HydrophobicContact CD1-CG1 3.73Å; F614-I623 HydrophobicContact CE1-CD1 4.01Å; F614-I623 HydrophobicContact CE2-CD1 4.11Å; F614-I623 HydrophobicContact CZ-CD1 3.42Å; F614-I623 VanDerWaalsContact CZ-CD1 3.42Å; F617-I623 HydrophobicContact CB-CB 4.5Å; F617-I623 HydrophobicContact CB-CD1 4.04Å; F617-I623 HydrophobicContact CB-CG1 4.18Å; F617-I623 HydrophobicContact CD1-CD1 4.13Å; F617-I623 HydrophobicContact CD1-CG1 4.4Å; F617-I623 HydrophobicContact CG-CD1 4.46Å; F617-I623 PolarHBondContact O-N 3.08Å; F617-I623 VanDerWaalsContact O-N 3.12Å; F618-I623 HydrophobicContact CD1-CB 4.2Å; F618-I623 HydrophobicContact CD1-CG2 4.1Å; F618-I623 WeakPolarHBondContact CD1-O 3.31Å; F618-I623 HydrophobicContact CE1-CB 4Å; F618-I623 HydrophobicContact CE1-CG2 3.46Å; F618-I623 VanDerWaalsContact CE1-CG2 3.46Å; F618-I623 HydrophobicContact CZ-CG2 4.06Å
624E91.3Very high88.1Confident7 Ų726.8 Ų26.83%0.03314%0.143CC..EExtended strand (participates in β ladder)trans-127150.6170.269175.2-152.600112.1R556 Q557 P588 Y589 L591 L626 H649R556-E624 IonicContact CZ-OE2 2.76Å; R556-E624 IonicContact NE-OE2 2.77Å; R556-E624 IonicContact NH2-OE1 3.26Å; R556-E624 PolarHBondContact NH2-OE1 3.47Å; R556-E624 IonicContact NH2-OE2 2.97Å; R556-E624 PolarHBondContact NH2-OE2 3.06Å; Q557-E624 PolarHBondContact NE2-OE2 3.42Å; P588-E624 CarbonylContact C-O 3.57Å; P588-E624 WeakPolarHBondContact CA-O 3.49Å; Y589-E624 PolarHBondContact N-O 2.85Å; Y589-E624 PolarHBondContact O-N 3.43Å; L591-E624 HydrophobicContact CD1-CB 4.13Å; L591-E624 HydrophobicContact CD1-CG 4.08Å; L591-E624 HydrophobicContact CD2-CG 3.92Å; L591-E624 HydrophobicContact CG-CB 4.47Å; L591-E624 HydrophobicContact CG-CG 3.93Å; E624-L626 HydrophobicContact CG-CD2 4.06Å; E624-L626 HydrophobicContact CG-CG 4.49Å; E624-L626 VanDerWaalsContact OE1-CD2 3.3Å; E624-L626 WeakPolarHBondContact OE1-CD2 3.44Å; E624-H649 VanDerWaalsContact CD-NE2 3.26Å; E624-H649 VanDerWaalsContact CG-NE2 3.34Å; E624-H649 WeakPolarHBondContact CG-NE2 3.47Å; E624-H649 IonicContact OE1-CE1 2.89Å; E624-H649 PolarHBondContact OE1-CE1 3.27Å; E624-H649 IonicContact OE1-NE2 3.59Å; E624-H649 PolarHBondContact OE1-NE2 3.11Å
625Y92.2Very high88.9Confident4 Ų433.8 Ų33.82%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-84.7126.7171.5-72.8-72.2000109.5F25 Q29 C494 K563 F564 C586 K587 P588 F618F25-Y625 HydrophobicContact CE2-CE1 4.36Å; Q29-Y625 PolarHBondContact NE2-OH 3.33Å; Q29-Y625 PolarHBondContact OE1-OH 3.25Å; C494-Y625 HydrophobicContact CB-CE1 4.33Å; C494-Y625 WeakPolarHBondContact SG-CD1 3.48Å; C494-Y625 WeakPolarHBondContact SG-CE1 3.47Å; K563-Y625 HydrophobicContact CB-CD2 4.38Å; K563-Y625 HydrophobicContact CD-CD2 4.26Å; K563-Y625 HydrophobicContact CD-CE2 3.96Å; K563-Y625 HydrophobicContact CG-CD2 4.18Å; K563-Y625 HydrophobicContact CG-CE2 4.36Å; F564-Y625 HydrophobicContact CD1-CD2 4.04Å; F564-Y625 HydrophobicContact CD1-CG 4.02Å; F564-Y625 HydrophobicContact CE1-CD1 4.08Å; F564-Y625 AromaticContact CE1-CD2 3.64Å; F564-Y625 HydrophobicContact CE1-CD2 3.64Å; F564-Y625 HydrophobicContact CE1-CE1 4.35Å; F564-Y625 AromaticContact CE1-CE2 3.94Å; F564-Y625 HydrophobicContact CE1-CE2 3.94Å; F564-Y625 AromaticContact CE1-CG 3.71Å; F564-Y625 HydrophobicContact CE1-CG 3.71Å; F564-Y625 HydrophobicContact CZ-CD2 4.5Å; F564-Y625 HydrophobicContact CZ-CE2 4.42Å; C586-Y625 HydrophobicContact CB-CD1 4.31Å; K587-Y625 WeakPolarHBondContact O-CA 3.49Å; P588-Y625 HydrophobicContact CB-CD1 4.1Å; P588-Y625 HydrophobicContact CB-CE1 3.85Å; P588-Y625 HydrophobicContact CG-CE1 4.21Å; F618-Y625 AromaticContact CD1-CD2 3.78Å; F618-Y625 HydrophobicContact CD1-CD2 3.78Å; F618-Y625 AromaticContact CD1-CE2 3.48Å; F618-Y625 HydrophobicContact CD1-CE2 3.48Å; F618-Y625 VanDerWaalsContact CD1-CE2 3.48Å; F618-Y625 HydrophobicContact CD2-CE2 4.32Å; F618-Y625 HydrophobicContact CE1-CD1 4.5Å; F618-Y625 AromaticContact CE1-CD2 3.6Å; F618-Y625 HydrophobicContact CE1-CD2 3.6Å; F618-Y625 HydrophobicContact CE1-CE1 4.09Å; F618-Y625 AromaticContact CE1-CE2 3.07Å; F618-Y625 HydrophobicContact CE1-CE2 3.07Å; F618-Y625 HydrophobicContact CE1-CG 4.28Å; F618-Y625 AromaticContact CE1-CZ 3.37Å; F618-Y625 HydrophobicContact CE2-CE2 4.01Å; F618-Y625 HydrophobicContact CG-CE2 4.09Å; F618-Y625 HydrophobicContact CZ-CD2 4.35Å; F618-Y625 HydrophobicContact CZ-CE1 4.19Å; F618-Y625 AromaticContact CZ-CE2 3.4Å; F618-Y625 HydrophobicContact CZ-CE2 3.4Å; F618-Y625 VanDerWaalsContact CZ-CE2 3.4Å; F618-Y625 AromaticContact CZ-CZ 3.3Å; F618-Y625 WeakPolarHBondContact CZ-OH 3.41Å
626L93.6Very high89.6Confident1 Ų133.2 Ų33.21%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-108.5133.1171.8-58.8-177.7000109.8C586 K587 Y589 E624 E630 R631 V634 I636C586-L626 WeakPolarHBondContact CA-O 3.36Å; K587-L626 PolarHBondContact N-O 3.14Å; K587-L626 PolarHBondContact O-N 3.19Å; Y589-L626 HydrophobicContact CD2-CB 3.8Å; Y589-L626 HydrophobicContact CD2-CD1 3.54Å; Y589-L626 HydrophobicContact CD2-CG 3.66Å; Y589-L626 HydrophobicContact CE2-CB 3.85Å; Y589-L626 HydrophobicContact CE2-CD1 3.99Å; Y589-L626 HydrophobicContact CE2-CG 4.2Å; Y589-L626 HydrophobicContact CG-CD1 4.04Å; Y589-L626 HydrophobicContact CG-CG 4.48Å; E624-L626 HydrophobicContact CG-CD2 4.06Å; E624-L626 HydrophobicContact CG-CG 4.49Å; E624-L626 VanDerWaalsContact OE1-CD2 3.3Å; E624-L626 WeakPolarHBondContact OE1-CD2 3.44Å; L626-E630 HydrophobicContact CD2-CG 3.97Å; L626-R631 HydrophobicContact CB-CG 3.94Å; L626-R631 HydrophobicContact CD1-CG 4.37Å; L626-V634 HydrophobicContact CD1-CG2 3.67Å; L626-I636 HydrophobicContact CD1-CD1 4.43Å
627D93.9Very high90.1Very high2 Ų228.9 Ų28.91%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-85.9173.3168.383.35.4000111.6S566 R584 N629 E630 R631S566-D627 VanDerWaalsContact CB-CG 3.43Å; S566-D627 WeakPolarHBondContact CB-OD2 3.06Å; S566-D627 PolarHBondContact OG-OD2 3.36Å; R584-D627 IonicContact CZ-OD2 3.23Å; R584-D627 IonicContact NH1-OD2 3.82Å; R584-D627 PolarHBondContact NH1-OD2 2.7Å; D627-N629 VanDerWaalsContact C-N 3.31Å; D627-N629 PolarHBondContact O-N 3.15Å; D627-N629 PolarHBondContact OD1-N 3.2Å; D627-E630 PolarHBondContact O-N 3.45Å; D627-E630 VanDerWaalsContact OD1-CB 3.29Å; D627-E630 WeakPolarHBondContact OD1-CB 3.45Å; D627-E630 PolarHBondContact OD1-N 3.11Å; D627-R631 VanDerWaalsContact O-CG 3.24Å; D627-R631 WeakPolarHBondContact O-CG 3.47Å; D627-R631 PolarHBondContact O-N 2.82Å
628V93.9Very high90.4Very high5 Ų531.3 Ų31.33%0.0316%0.159CC..Hα-helixtrans-64-33.8-177.3-174.30000113.3F348 T471 R631F348-V628 HydrophobicContact CE1-CG1 4.31Å; F348-V628 HydrophobicContact CE2-CG1 4.17Å; F348-V628 HydrophobicContact CZ-CG1 3.75Å; T471-V628 HydrophobicContact CG2-CG2 4.45Å; V628-R631 VanDerWaalsContact CG2-NH2 3.34Å
629N93.4Very high90.6Very high10 Ų1035.1 Ų35.15%0.05318%0.176CC..Hα-helixtrans-74.2-43.7-179.9-62.3-62.8000110.6R179 G350 F568 D627 R631 N632R179-N629 PolarHBondContact NH1-ND2 2.85Å; R179-N629 PolarHBondContact NH1-OD1 3.18Å; G350-N629 PolarHBondContact O-ND2 3.48Å; F568-N629 HydrophobicContact CB-CB 4.18Å; F568-N629 HydrophobicContact CD1-CB 4.17Å; F568-N629 HydrophobicContact CD2-CB 4.33Å; F568-N629 WeakPolarHBondContact CD2-O 3.42Å; F568-N629 WeakPolarHBondContact CE2-O 3.4Å; F568-N629 HydrophobicContact CG-CB 3.97Å; D627-N629 VanDerWaalsContact C-N 3.31Å; D627-N629 PolarHBondContact O-N 3.15Å; D627-N629 PolarHBondContact OD1-N 3.2Å; N629-R631 VanDerWaalsContact C-N 3.29Å; N629-R631 PolarHBondContact O-N 2.97Å; N629-N632 WeakPolarHBondContact O-CB 3.38Å; N629-N632 PolarHBondContact O-N 2.96Å; N629-N632 VanDerWaalsContact O-N 3.12Å
630E93.7Very high90.6Very high1 Ų135.1 Ų35.11%0.00517%0.171CC..Hα-helixtrans-64.1-35.5179-169.1166.5-174.400111.6R553 R556 S566 L626 D627 N632 T633 V634R553-E630 IonicContact CZ-OE1 2.71Å; R553-E630 IonicContact NE-OE1 3.77Å; R553-E630 PolarHBondContact NE-OE1 2.63Å; R553-E630 IonicContact NH2-OE1 3.55Å; R556-E630 IonicContact CZ-OE1 2.78Å; R556-E630 IonicContact CZ-OE2 2.72Å; R556-E630 IonicContact NH1-OE1 2.73Å; R556-E630 PolarHBondContact NH1-OE1 3.09Å; R556-E630 VanDerWaalsContact NH1-OE1 3.14Å; R556-E630 IonicContact NH1-OE2 2.85Å; R556-E630 PolarHBondContact NH1-OE2 3.3Å; R556-E630 IonicContact NH2-OE1 3.1Å; R556-E630 PolarHBondContact NH2-OE1 3.46Å; R556-E630 IonicContact NH2-OE2 2.99Å; S566-E630 WeakPolarHBondContact CB-OE2 3.43Å; L626-E630 HydrophobicContact CD2-CG 3.97Å; D627-E630 PolarHBondContact O-N 3.45Å; D627-E630 VanDerWaalsContact OD1-CB 3.29Å; D627-E630 WeakPolarHBondContact OD1-CB 3.45Å; D627-E630 PolarHBondContact OD1-N 3.11Å; E630-N632 PolarHBondContact O-N 2.91Å; E630-N632 VanDerWaalsContact O-N 3.14Å; E630-T633 PolarHBondContact O-N 3.45Å; E630-T633 PolarHBondContact O-OG1 3.04Å; E630-V634 PolarHBondContact O-N 3.31Å
631R93Very high90.7Very high25 Ų2540.4 Ų40.49%0.09419%0.188CC..Hα-helixtrans-55-28.8172.9-76.6-172.9-52.9164.34.8113.9S467 W469 Y589 L626 D627 V628 N629 T633 I636S467-R631 PolarHBondContact O-NH2 2.79Å; W469-R631 PolarHBondContact O-NH1 3.1Å; Y589-R631 WeakPolarHBondContact OH-CD 3.03Å; L626-R631 HydrophobicContact CB-CG 3.94Å; L626-R631 HydrophobicContact CD1-CG 4.37Å; D627-R631 VanDerWaalsContact O-CG 3.24Å; D627-R631 WeakPolarHBondContact O-CG 3.47Å; D627-R631 PolarHBondContact O-N 2.82Å; V628-R631 VanDerWaalsContact CG2-NH2 3.34Å; N629-R631 VanDerWaalsContact C-N 3.29Å; N629-R631 PolarHBondContact O-N 2.97Å; R631-T633 PolarHBondContact O-N 2.69Å; R631-I636 HydrophobicContact CG-CD1 4.09Å
632N90.5Very high90.9Very high101 Ų10143.7 Ų43.754%0.5421%0.206SC..THydrogen-bonded Turntrans-69.8-18.4176.6-67.8-18000113.1F348 F568 N629 E630F348-N632 WeakPolarHBondContact CZ-ND2 3.43Å; F568-N632 HydrophobicContact CE2-CB 4.13Å; N629-N632 WeakPolarHBondContact O-CB 3.38Å; N629-N632 PolarHBondContact O-N 2.96Å; N629-N632 VanDerWaalsContact O-N 3.12Å; E630-N632 PolarHBondContact O-N 2.91Å; E630-N632 VanDerWaalsContact O-N 3.14Å
633T89.6Confident91Very high55 Ų5544 Ų4434%0.33721%0.21SC..THydrogen-bonded Turntrans-100.4-14.9-178.764.20000113.7R553 F568 E630 R631R553-T633 PolarHBondContact NH2-OG1 3.12Å; F568-T633 HydrophobicContact CD2-CG2 3.48Å; F568-T633 VanDerWaalsContact CD2-CG2 3.48Å; F568-T633 HydrophobicContact CE2-CG2 3.67Å; E630-T633 PolarHBondContact O-N 3.45Å; E630-T633 PolarHBondContact O-OG1 3.04Å; R631-T633 PolarHBondContact O-N 2.69Å
634V91.2Very high91Very high15 Ų1547.2 Ų47.29%0.09123%0.23CC..SBendtrans-104159.9-175.4-64.90000112L626 E630 I636 T648L626-V634 HydrophobicContact CD1-CG2 3.67Å; E630-V634 PolarHBondContact O-N 3.31Å; V634-I636 HydrophobicContact CG2-CD1 4.15Å; V634-I636 HydrophobicContact CG2-CG1 3.95Å; V634-T648 WeakPolarHBondContact CB-OG1 3.33Å
635R92.9Very high90.9Very high152 Ų15256.4 Ų56.457%0.57427%0.27SS*.  trans-111.9113.3175.1-68.8-177.1178.4179.62.6109.3T646 T647 T648 H649R635-T646 WeakPolarHBondContact CD-O 3.18Å; R635-T646 PolarHBondContact NH1-OG1 2.58Å; R635-T647 WeakPolarHBondContact O-CG2 3.41Å; R635-T648 PolarHBondContact N-OG1 3.17Å; R635-T648 VanDerWaalsContact N-OG1 3.14Å; R635-T648 PolarHBondContact O-N 2.99Å; R635-T648 PolarHBondContact O-OG1 3.3Å; R635-H649 PolarHBondContact O-N 3.36Å; R635-H649 VanDerWaalsContact O-N 3.12Å
636I93.5Very high90.8Very high55 Ų5559.7 Ų59.728%0.28229%0.29SS..EExtended strand (participates in β ladder)trans-104.7119.6-174.2-50.7174000109.3Y589 L626 R631 V634 H649Y589-I636 HydrophobicContact CD1-CD1 4.28Å; Y589-I636 HydrophobicContact CD1-CG2 3.78Å; Y589-I636 HydrophobicContact CE1-CD1 3.75Å; Y589-I636 HydrophobicContact CE1-CG2 3.73Å; Y589-I636 HydrophobicContact CE2-CD1 4.48Å; L626-I636 HydrophobicContact CD1-CD1 4.43Å; R631-I636 HydrophobicContact CG-CD1 4.09Å; V634-I636 HydrophobicContact CG2-CD1 4.15Å; V634-I636 HydrophobicContact CG2-CG1 3.95Å; I636-H649 CarbonylContact C-O 3.58Å; I636-H649 WeakPolarHBondContact CA-O 3.44Å; I636-H649 HydrophobicContact CB-CB 4.46Å; I636-H649 HydrophobicContact CG1-CB 4.04Å; I636-H649 HydrophobicContact CG2-CB 4.39Å
637A93.2Very high90.7Very high6 Ų660.2 Ų60.25%0.0529%0.294CS..EExtended strand (participates in β ladder)trans-84.3139170.100000110.8D642 V643 T647 H649 L650 E651A637-D642 HydrophobicContact CB-CB 4.28Å; A637-V643 HydrophobicContact CB-CG2 3.81Å; A637-T647 HydrophobicContact CB-CG2 3.56Å; A637-H649 PolarHBondContact N-O 2.8Å; A637-L650 HydrophobicContact CB-CD1 4.05Å; A637-L650 WeakPolarHBondContact O-CD1 3.3Å; A637-E651 PolarHBondContact O-N 3.21Å
638M89.7Confident90.6Very high54 Ų5462.7 Ų62.727%0.26631%0.309SS..SBendtrans-75.9-49.1176.1-65.8-62.7-6800111.1W469 K470 P654W469-M638 HydrophobicContact CZ2-CE 3.9Å; W469-M638 HydrophobicContact CZ2-SD 4Å; K470-M638 PolarHBondContact NZ-SD 2.9Å; M638-P654 HydrophobicContact CE-CB 3.85Å; M638-P654 HydrophobicContact CE-CG 3.98Å
639H87.4Confident90.6Very high88 Ų8862.7 Ų62.741%0.40731%0.308SS..SBendtrans-123.2161.8178.1-56.1-76.8000110.9K641 D642H639-K641 HydrophobicContact CB-CD 4.46Å; H639-K641 HydrophobicContact CB-CG 3.71Å; H639-K641 PolarHBondContact O-N 3.18Å; H639-D642 WeakPolarHBondContact CB-OD2 3.26Å; H639-D642 IonicContact CD2-OD2 2.85Å; H639-D642 IonicContact CG-OD2 3.67Å; H639-D642 PolarHBondContact N-OD2 3.13Å; H639-D642 PolarHBondContact O-N 2.88Å
640K82.9Confident90.5Very high70 Ų7062.3 Ų62.330%0.30431%0.306SS..G310 helixtrans-58.8-31.1178.4-172.3178.1178-175.90112.4L15 D642 V643L15-K640 HydrophobicContact CD1-CD 3.93Å; K640-D642 PolarHBondContact O-N 2.82Å; K640-V643 WeakPolarHBondContact O-CB 3.06Å; K640-V643 WeakPolarHBondContact O-CG2 3.37Å; K640-V643 PolarHBondContact O-N 3.05Å
641K87.5Confident90.3Very high170 Ų17062.3 Ų62.374%0.73931%0.306SS*.G310 helixtrans-63.8-25.1175.954.9165.6-171.7-179.50113.7H639 V643H639-K641 HydrophobicContact CB-CD 4.46Å; H639-K641 HydrophobicContact CB-CG 3.71Å; H639-K641 PolarHBondContact O-N 3.18Å; K641-V643 VanDerWaalsContact C-N 3.32Å
642D89.3Confident90Very high69 Ų6961.6 Ų61.637%0.36930%0.304SS..G310 helixtrans-92.30.7-177.8-44.4-43.9000111.5A637 H639 K640 T644A637-D642 HydrophobicContact CB-CB 4.28Å; H639-D642 WeakPolarHBondContact CB-OD2 3.26Å; H639-D642 IonicContact CD2-OD2 2.85Å; H639-D642 IonicContact CG-OD2 3.67Å; H639-D642 PolarHBondContact N-OD2 3.13Å; H639-D642 PolarHBondContact O-N 2.88Å; K640-D642 PolarHBondContact O-N 2.82Å; D642-T644 PolarHBondContact O-N 3.33Å
643V88.9Confident89.7Confident31 Ų3158 Ų5819%0.18829%0.285CS..  trans-71.4120.7-180176.70000109.5I592 G595 A637 K640 K641 L650I592-V643 HydrophobicContact CD1-CB 4.44Å; I592-V643 HydrophobicContact CD1-CG1 3.85Å; I592-V643 HydrophobicContact CD1-CG2 3.71Å; I592-V643 HydrophobicContact CG2-CG1 4.29Å; G595-V643 WeakPolarHBondContact O-CG1 3.21Å; A637-V643 HydrophobicContact CB-CG2 3.81Å; K640-V643 WeakPolarHBondContact O-CB 3.06Å; K640-V643 WeakPolarHBondContact O-CG2 3.37Å; K640-V643 PolarHBondContact O-N 3.05Å; K641-V643 VanDerWaalsContact C-N 3.32Å; V643-L650 HydrophobicContact CG2-CD1 4.18Å
644T90Very high89.6Confident70 Ų7057 Ų5743%0.42928%0.28SS..  trans-109.8171.3173.370.70000109.8D642 T646 T647D642-T644 PolarHBondContact O-N 3.33Å; T644-T646 PolarHBondContact O-N 3.32Å; T644-T646 VanDerWaalsContact O-N 3.13Å; T644-T646 PolarHBondContact OG1-N 2.94Å; T644-T646 PolarHBondContact OG1-OG1 2.9Å; T644-T647 PolarHBondContact N-OG1 3.2Å; T644-T647 WeakPolarHBondContact O-CB 3.44Å; T644-T647 PolarHBondContact O-N 3.46Å; T644-T647 VanDerWaalsContact O-N 3.12Å; T644-T647 PolarHBondContact O-OG1 3.12Å; T644-T647 PolarHBondContact OG1-N 2.86Å; T644-T647 PolarHBondContact OG1-OG1 3.41Å
645K88Confident89.4Confident201 Ų20161.7 Ų61.787%0.87430%0.303SS*.THydrogen-bonded Turntrans-60.4-20.8173.3-65.3-175.6179.4-178.40113.8
646T90.1Very high89Confident73 Ų7354.5 Ų54.545%0.44828%0.277SS..THydrogen-bonded Turntrans-95.7-6.1-179.368.40000113.4R635 T644 T648R635-T646 WeakPolarHBondContact CD-O 3.18Å; R635-T646 PolarHBondContact NH1-OG1 2.58Å; T644-T646 PolarHBondContact O-N 3.32Å; T644-T646 VanDerWaalsContact O-N 3.13Å; T644-T646 PolarHBondContact OG1-N 2.94Å; T644-T646 PolarHBondContact OG1-OG1 2.9Å; T646-T648 PolarHBondContact O-N 3.14Å
647T92.6Very high88.7Confident12 Ų1253.5 Ų53.57%0.07427%0.271CS..  trans-72.6128178.8-56.80000108.9I592 R635 A637 T644 H649I592-T647 HydrophobicContact CD1-CG2 3.51Å; I592-T647 WeakPolarHBondContact CG2-O 3.21Å; R635-T647 WeakPolarHBondContact O-CG2 3.41Å; A637-T647 HydrophobicContact CB-CG2 3.56Å; T644-T647 PolarHBondContact N-OG1 3.2Å; T644-T647 WeakPolarHBondContact O-CB 3.44Å; T644-T647 PolarHBondContact O-N 3.46Å; T644-T647 VanDerWaalsContact O-N 3.12Å; T644-T647 PolarHBondContact O-OG1 3.12Å; T644-T647 PolarHBondContact OG1-N 2.86Å; T644-T647 PolarHBondContact OG1-OG1 3.41Å; T647-H649 WeakPolarHBondContact CG2-O 3.38Å
648T91.8Very high88.5Confident54 Ų5454.8 Ų54.833%0.33128%0.277SS..  trans-99.8-28.417955.80000112.2I592 V634 R635 T646I592-T648 PolarHBondContact N-O 2.84Å; V634-T648 WeakPolarHBondContact CB-OG1 3.33Å; R635-T648 PolarHBondContact N-OG1 3.17Å; R635-T648 VanDerWaalsContact N-OG1 3.14Å; R635-T648 PolarHBondContact O-N 2.99Å; R635-T648 PolarHBondContact O-OG1 3.3Å; T646-T648 PolarHBondContact O-N 3.14Å
649H93.5Very high88.2Confident4 Ų452.4 Ų52.42%0.01927%0.266CS..EExtended strand (participates in β ladder)trans-136.1154.1-173-71.888.1000112.8V590 L591 E624 R635 I636 A637 T647V590-H649 CarbonylContact O-C 3.6Å; V590-H649 WeakPolarHBondContact O-CA 3.3Å; L591-H649 WeakPolarHBondContact CD2-NE2 3.21Å; E624-H649 VanDerWaalsContact CD-NE2 3.26Å; E624-H649 VanDerWaalsContact CG-NE2 3.34Å; E624-H649 WeakPolarHBondContact CG-NE2 3.47Å; E624-H649 IonicContact OE1-CE1 2.89Å; E624-H649 PolarHBondContact OE1-CE1 3.27Å; E624-H649 IonicContact OE1-NE2 3.59Å; E624-H649 PolarHBondContact OE1-NE2 3.11Å; R635-H649 PolarHBondContact O-N 3.36Å; R635-H649 VanDerWaalsContact O-N 3.12Å; I636-H649 CarbonylContact C-O 3.58Å; I636-H649 WeakPolarHBondContact CA-O 3.44Å; I636-H649 HydrophobicContact CB-CB 4.46Å; I636-H649 HydrophobicContact CG1-CB 4.04Å; I636-H649 HydrophobicContact CG2-CB 4.39Å; A637-H649 PolarHBondContact N-O 2.8Å; T647-H649 WeakPolarHBondContact CG2-O 3.38Å
650L91.5Very high88.1Confident2 Ų251.4 Ų51.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-126.9132.3177.2-179.360.7000109.8K18 V590 I592 P597 A637 V643 I652K18-L650 VanDerWaalsContact NZ-CG 3.29Å; V590-L650 HydrophobicContact CB-CB 4.19Å; V590-L650 PolarHBondContact N-O 3.43Å; V590-L650 PolarHBondContact O-N 3.4Å; I592-L650 HydrophobicContact CD1-CB 3.69Å; I592-L650 HydrophobicContact CG1-CB 4.06Å; P597-L650 HydrophobicContact CB-CD2 4.19Å; A637-L650 HydrophobicContact CB-CD1 4.05Å; A637-L650 WeakPolarHBondContact O-CD1 3.3Å; V643-L650 HydrophobicContact CG2-CD1 4.18Å; L650-I652 PolarHBondContact O-N 3.46Å
651E90Very high88.2Confident1 Ų150.3 Ų50.31%0.00526%0.26CS..  trans-61.5134.5170.9-174.566.4-152.500110.7K18 K470 K587 Y589 A637 P654K18-E651 PolarHBondContact NZ-O 3.43Å; K470-E651 VanDerWaalsContact CD-OE2 3.28Å; K470-E651 WeakPolarHBondContact CD-OE2 3.46Å; K470-E651 IonicContact NZ-OE1 3.51Å; K470-E651 IonicContact NZ-OE2 3.1Å; K470-E651 PolarHBondContact NZ-OE2 3.02Å; K587-E651 WeakPolarHBondContact CE-OE1 3.25Å; K587-E651 IonicContact NZ-OE1 2.73Å; K587-E651 PolarHBondContact NZ-OE1 3.24Å; K587-E651 IonicContact NZ-OE2 3.89Å; Y589-E651 WeakPolarHBondContact CE1-OE2 3.49Å; A637-E651 PolarHBondContact O-N 3.21Å; E651-P654 HydrophobicContact CG-CG 4.28Å
652I85.2Confident88.1Confident11 Ų1143.6 Ų43.66%0.05623%0.231CC..SBendtrans-64.9-63.7173.3-62.9177.9000108.8Y21 P588 V590 L650Y21-I652 HydrophobicContact CD2-CG2 3.89Å; Y21-I652 HydrophobicContact CG-CG2 4.25Å; P588-I652 HydrophobicContact CB-CD1 3.91Å; P588-I652 HydrophobicContact CG-CD1 3.88Å; V590-I652 HydrophobicContact CG2-CG1 3.94Å; L650-I652 PolarHBondContact O-N 3.46Å
653D85.7Confident87.9Confident25 Ų2542.9 Ų42.913%0.13424%0.24CC..  trans-147.9119.2177-169.8-31000110.6L655 T656D653-L655 PolarHBondContact O-N 3.47Å; D653-L655 WeakPolarHBondContact OD1-CB 3.45Å; D653-L655 PolarHBondContact OD1-N 2.92Å; D653-T656 HydrophobicContact CB-CG2 4Å; D653-T656 WeakPolarHBondContact O-CB 3.43Å; D653-T656 PolarHBondContact O-N 3.18Å; D653-T656 PolarHBondContact O-OG1 2.92Å
654P86.6Confident87.8Confident35 Ų3545.5 Ų45.523%0.22726%0.259CS..G310 helixtrans-55.3-29.1176.7-2635.5000115.1M638 E651 T656 E657M638-P654 HydrophobicContact CE-CB 3.85Å; M638-P654 HydrophobicContact CE-CG 3.98Å; E651-P654 HydrophobicContact CG-CG 4.28Å; P654-T656 PolarHBondContact O-N 2.83Å; P654-E657 PolarHBondContact O-N 2.85Å
655L86.2Confident87.7Confident112 Ų11245.5 Ų45.559%0.58626%0.256SS*.G310 helixtrans-66.7-19.9-178.6-66.5174.5000113.1D653 E657 L658D653-L655 PolarHBondContact O-N 3.47Å; D653-L655 WeakPolarHBondContact OD1-CB 3.45Å; D653-L655 PolarHBondContact OD1-N 2.92Å; L655-E657 PolarHBondContact O-N 3.43Å; L655-E657 VanDerWaalsContact O-N 3.07Å; L655-L658 PolarHBondContact O-N 3.27Å
656T86.3Confident87.7Confident2 Ų243.1 Ų43.11%0.01225%0.248CC..G310 helixtrans-67.8-5.4179.761.70000114.2L22 L491 S492 K587 D653 P654 L658L22-T656 HydrophobicContact CD1-CG2 3.59Å; L22-T656 HydrophobicContact CD2-CG2 4.03Å; L22-T656 HydrophobicContact CG-CG2 4.46Å; L491-T656 PolarHBondContact N-O 3.06Å; L491-T656 VanDerWaalsContact N-O 3.14Å; S492-T656 WeakPolarHBondContact OG-CB 3.4Å; S492-T656 PolarHBondContact OG-OG1 3.45Å; K587-T656 PolarHBondContact NZ-OG1 3.07Å; D653-T656 HydrophobicContact CB-CG2 4Å; D653-T656 WeakPolarHBondContact O-CB 3.43Å; D653-T656 PolarHBondContact O-N 3.18Å; D653-T656 PolarHBondContact O-OG1 2.92Å; P654-T656 PolarHBondContact O-N 2.83Å; T656-L658 VanDerWaalsContact C-N 3.26Å
657E87Confident87.5Confident33 Ų3347.1 Ų47.115%0.15426%0.256CS..G310 helixtrans-63.5-31.7166.7-177.8156.2-149.100112.8W469 K470 P474 A490 P654 L655W469-E657 VanDerWaalsContact CE3-OE1 3.23Å; W469-E657 WeakPolarHBondContact CZ3-OE2 3.11Å; K470-E657 HydrophobicContact CG-CB 4.02Å; K470-E657 HydrophobicContact CG-CG 4.22Å; K470-E657 PolarHBondContact N-OE1 2.87Å; K470-E657 VanDerWaalsContact N-OE1 3.14Å; P474-E657 HydrophobicContact CG-CG 4.24Å; A490-E657 VanDerWaalsContact CB-O 3.3Å; A490-E657 WeakPolarHBondContact CB-O 3.41Å; P654-E657 PolarHBondContact O-N 2.85Å; L655-E657 PolarHBondContact O-N 3.43Å; L655-E657 VanDerWaalsContact O-N 3.07Å
658L87.9Confident87.2Confident34 Ų3448.6 Ų48.618%0.17827%0.266CS..SBendtrans-77.6140.2179.1-57.8179000110.1P474 L491 L655 T656 L662 P668P474-L658 HydrophobicContact CG-CD2 4.41Å; L491-L658 WeakPolarHBondContact CB-O 3.33Å; L655-L658 PolarHBondContact O-N 3.27Å; T656-L658 VanDerWaalsContact C-N 3.26Å; L658-L662 HydrophobicContact CB-CB 4.2Å; L658-L662 HydrophobicContact CD2-CB 4.34Å; L658-L662 HydrophobicContact CD2-CD1 4.13Å; L658-P668 HydrophobicContact CD1-CB 4.15Å; L658-P668 HydrophobicContact CD1-CG 3.57Å
659G84.8Confident86.9Confident3 Ų351.8 Ų51.83%0.03128%0.277CS..  trans-74172.1169.400000111.7C473 T661 L662 G663C473-G659 PolarHBondContact SG-N 3.04Å; G659-T661 PolarHBondContact O-N 3.26Å; G659-L662 PolarHBondContact O-N 3.19Å; G659-G663 PolarHBondContact O-N 2.69Å
660F83.4Confident86.5Confident68 Ų6855.7 Ų55.730%0.29830%0.298SS..THydrogen-bonded Turntrans-52.4-49.1-174.7-170.5-92.4000113.5L31 Y438 A439 F442 G663L31-F660 HydrophobicContact CD1-CD2 4.38Å; Y438-F660 HydrophobicContact CD1-CE1 4.43Å; Y438-F660 HydrophobicContact CD1-CZ 4.15Å; Y438-F660 HydrophobicContact CE1-CZ 4.07Å; A439-F660 HydrophobicContact CB-CD1 4.15Å; A439-F660 HydrophobicContact CB-CE1 3.86Å; F442-F660 HydrophobicContact CB-CD1 3.9Å; F442-F660 HydrophobicContact CB-CE1 4.22Å; F442-F660 HydrophobicContact CB-CG 4.14Å; F442-F660 HydrophobicContact CG-CE1 4.49Å; F660-G663 PolarHBondContact O-N 3.23Å
661T85.2Confident85.8Confident47 Ų4762.3 Ų62.329%0.28832%0.324SS..THydrogen-bonded Turntrans-66.6-41.9-177.7-49.40000113.3D443 G659 G663 C664D443-T661 WeakPolarHBondContact CB-OG1 3.3Å; G659-T661 PolarHBondContact O-N 3.26Å; T661-G663 VanDerWaalsContact C-N 3.27Å; T661-G663 PolarHBondContact O-N 2.95Å; T661-C664 WeakPolarHBondContact O-CB 3.3Å; T661-C664 PolarHBondContact O-N 3.36Å
662L86.4Confident84.9Confident28 Ų2871 Ų7115%0.14736%0.364CS..G310 helixtrans-71.2-26.7177.1-66.5-173.6000111.9C473 G475 N476 L658 G659 C664 I665C473-L662 WeakPolarHBondContact SG-CD1 3.45Å; G475-L662 VanDerWaalsContact CA-CD1 3.5Å; N476-L662 HydrophobicContact CB-CD1 4.21Å; N476-L662 HydrophobicContact CB-CG 4.17Å; L658-L662 HydrophobicContact CB-CB 4.2Å; L658-L662 HydrophobicContact CD2-CB 4.34Å; L658-L662 HydrophobicContact CD2-CD1 4.13Å; G659-L662 PolarHBondContact O-N 3.19Å; L662-C664 PolarHBondContact O-N 3.47Å; L662-I665 HydrophobicContact CD2-CD1 3.65Å; L662-I665 WeakPolarHBondContact O-CB 3.47Å; L662-I665 PolarHBondContact O-N 3.12Å
663G85.1Confident83.2Confident54 Ų5475.2 Ų75.256%0.55739%0.39SS*.G310 helixtrans-61.9-18.2171.300000113.7G659 F660 T661 I665G659-G663 PolarHBondContact O-N 2.69Å; F660-G663 PolarHBondContact O-N 3.23Å; T661-G663 VanDerWaalsContact C-N 3.27Å; T661-G663 PolarHBondContact O-N 2.95Å; G663-I665 VanDerWaalsContact C-N 3.32Å
664C86.5Confident80.8Confident87 Ų8785.1 Ų85.159%0.58844%0.435SS*.G310 helixtrans-78.4-14.4172.9-57.80000113.5T661 L662T661-C664 WeakPolarHBondContact O-CB 3.3Å; T661-C664 PolarHBondContact O-N 3.36Å; L662-C664 PolarHBondContact O-N 3.47Å
665I88.1Confident80.5Confident70 Ų7087.7 Ų87.736%0.35945%0.446SS..SBendtrans-77.8125.9179.2-58.3176.1000108.6L662 G663 P668 Y671L662-I665 HydrophobicContact CD2-CD1 3.65Å; L662-I665 WeakPolarHBondContact O-CB 3.47Å; L662-I665 PolarHBondContact O-N 3.12Å; G663-I665 VanDerWaalsContact C-N 3.32Å; I665-P668 HydrophobicContact CB-CB 4.46Å; I665-P668 HydrophobicContact CG2-CB 4.26Å; I665-P668 WeakPolarHBondContact O-CD 3.44Å; I665-Y671 HydrophobicContact CG2-CD2 4.21Å; I665-Y671 HydrophobicContact CG2-CE2 3.63Å
666Q88.5Confident80.2Confident150 Ų15086.4 Ų86.470%0.70144%0.438SS*.SBendtrans-75.5127.6174.4-63.6-178.4-8.400109.8Y671Q666-Y671 VanDerWaalsContact O-CE2 3.31Å; Q666-Y671 WeakPolarHBondContact O-CE2 3.4Å
667Y86.3Confident79.9Confident157 Ų15791.1 Ų91.162%0.61646%0.462SS*.SBendtrans54.557.2179.2-51.9-79.1000114.3H669 D670 Y671Y667-H669 PolarHBondContact O-N 3.24Å; Y667-D670 PolarHBondContact O-N 3.07Å; Y667-D670 VanDerWaalsContact O-N 3.12Å; Y667-Y671 VanDerWaalsContact O-CD2 3.28Å; Y667-Y671 WeakPolarHBondContact O-CD2 3.29Å; Y667-Y671 WeakPolarHBondContact O-CE2 3.32Å
668P86.2Confident79.5Confident44 Ų4494.5 Ų94.529%0.28648%0.48SS..G310 helixtrans-62.5-20.6-174.525.9-33.7000113.7L658 I665L658-P668 HydrophobicContact CD1-CB 4.15Å; L658-P668 HydrophobicContact CD1-CG 3.57Å; I665-P668 HydrophobicContact CB-CB 4.46Å; I665-P668 HydrophobicContact CG2-CB 4.26Å; I665-P668 WeakPolarHBondContact O-CD 3.44Å
669H84.8Confident78.9Confident120 Ų12098.3 Ų98.356%0.55650%0.499SS*.G310 helixtrans-78-16.7179.754.1-86.6000114.2Y667Y667-H669 PolarHBondContact O-N 3.24Å
670D85.4Confident78.5Confident87 Ų87104.6 Ų104.647%0.46553%0.53SS..G310 helixtrans-87.4-10.8178.6-67.3-23.1000112.4Y667 T673Y667-D670 PolarHBondContact O-N 3.07Å; Y667-D670 VanDerWaalsContact O-N 3.12Å; D670-T673 PolarHBondContact O-OG1 3.04Å
671Y76.5Confident78.2Confident141 Ų141107.2 Ų107.255%0.55355%0.546SS*.THydrogen-bonded Turntrans-79.6134.1176.3-65.7-89.6000110.3I665 Q666 Y667 T673I665-Y671 HydrophobicContact CG2-CD2 4.21Å; I665-Y671 HydrophobicContact CG2-CE2 3.63Å; Q666-Y671 VanDerWaalsContact O-CE2 3.31Å; Q666-Y671 WeakPolarHBondContact O-CE2 3.4Å; Y667-Y671 VanDerWaalsContact O-CD2 3.28Å; Y667-Y671 WeakPolarHBondContact O-CD2 3.29Å; Y667-Y671 WeakPolarHBondContact O-CE2 3.32Å; Y671-T673 VanDerWaalsContact C-N 3.29Å; Y671-T673 PolarHBondContact O-N 3.1Å
672H69.9Low77.7Confident184 Ų184111.8 Ų111.885%0.85257%0.566SS**THydrogen-bonded Turntrans72.13.6-178.1-53.4-69.1000117H674H672-H674 PolarHBondContact O-N 2.82Å
673T51.2Low76.9Confident98 Ų98118.8 Ų118.860%0.60160%0.601SS**  trans-82.96.8165.143.20000113D670 Y671D670-T673 PolarHBondContact O-OG1 3.04Å; Y671-T673 VanDerWaalsContact C-N 3.29Å; Y671-T673 PolarHBondContact O-N 3.1Å
674H34.6Very low76.2Confident234 Ų234124.7 Ų124.7100%1.08361%0.605SS**  trans-123.60163.4-63.8-44.8000109H672H672-H674 PolarHBondContact O-N 2.82Å

Retrieved 674 of 674 residues in 811.8 ms (Link to these results)

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