A0A077ZGM3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.7Confident87.3Confident191 Ų19186.6 Ų86.694%0.94144%0.443SS*.  0-470-155.859.716300112.4A3 R4 C5M1-A3 PolarHBondContact O-N 3.29Å; M1-R4 PolarHBondContact O-N 3.12Å; M1-R4 VanDerWaalsContact O-N 3.13Å; M1-C5 PolarHBondContact O-N 3.46Å
2A82Confident87.5Confident75 Ų7581.9 Ų81.962%0.6242%0.419SS*.Hα-helixtrans-52.9-49.4177.800000113.6R4 C5 L6A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.27Å; A2-C5 WeakPolarHBondContact O-CB 3.3Å; A2-C5 PolarHBondContact O-N 2.9Å; A2-L6 WeakPolarHBondContact O-CG 3.35Å; A2-L6 PolarHBondContact O-N 3.07Å
3A85.4Confident87.4Confident38 Ų3883.3 Ų83.331%0.31442%0.423SS..Hα-helixtrans-58.6-38.2177.200000113.3M1 L6 F7 I28 C32M1-A3 PolarHBondContact O-N 3.29Å; A3-L6 PolarHBondContact O-N 2.82Å; A3-F7 WeakPolarHBondContact O-CB 3.43Å; A3-F7 PolarHBondContact O-N 2.86Å; A3-I28 WeakPolarHBondContact O-CG2 3.19Å; A3-C32 VanDerWaalsContact C-SG 3.51Å; A3-C32 VanDerWaalsContact CB-SG 3.54Å
4R89.6Confident87Confident91 Ų9186.7 Ų86.734%0.34345%0.453SS..Hα-helixtrans-66.8-38.7175.1-67.3178.868.4126.1-2.8111.9M1 A2 F7 Y8 C32 F34M1-R4 PolarHBondContact O-N 3.12Å; M1-R4 VanDerWaalsContact O-N 3.13Å; A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 3.27Å; R4-F7 WeakPolarHBondContact O-CB 3.22Å; R4-F7 PolarHBondContact O-N 3.07Å; R4-Y8 HydrophobicContact CB-CE2 4.46Å; R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.35Å; R4-Y8 VanDerWaalsContact O-N 3.17Å; R4-C32 HydrophobicContact CG-CB 3.77Å; R4-F34 HydrophobicContact CB-CZ 4.37Å; R4-F34 HydrophobicContact CG-CE1 3.85Å; R4-F34 HydrophobicContact CG-CZ 3.86Å; R4-F34 VanDerWaalsContact CZ-CE1 3.44Å
5C86.1Confident86.8Confident53 Ų5387.1 Ų87.136%0.35849%0.486SS..Hα-helixtrans-63.9-46.2175.7-171.80000111.1M1 A2 F7 Y8 R9M1-C5 PolarHBondContact O-N 3.46Å; A2-C5 WeakPolarHBondContact O-CB 3.3Å; A2-C5 PolarHBondContact O-N 2.9Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.28Å; C5-Y8 PolarHBondContact O-N 3.11Å; C5-R9 WeakPolarHBondContact O-CB 3.34Å; C5-R9 WeakPolarHBondContact O-CG 3.27Å; C5-R9 PolarHBondContact O-N 3.04Å; C5-R9 VanDerWaalsContact O-N 3.12Å
6L89Confident86.9Confident108 Ų10882.9 Ų82.957%0.56546%0.462SS*.Hα-helixtrans-59.1-44.2174.5-68.7172.9000111.4A2 A3 Y8 R9 Q10 I28A2-L6 WeakPolarHBondContact O-CG 3.35Å; A2-L6 PolarHBondContact O-N 3.07Å; A3-L6 PolarHBondContact O-N 2.82Å; L6-Y8 PolarHBondContact O-N 3.25Å; L6-R9 PolarHBondContact O-N 3.11Å; L6-Q10 PolarHBondContact O-N 2.98Å; L6-Q10 VanDerWaalsContact O-N 3.09Å; L6-I28 HydrophobicContact CB-CG2 4.23Å
7F93Very high87Confident0 Ų080.1 Ų80.10%045%0.452CS..Hα-helixtrans-55.7-49.4178-178.9-88000112.7A3 R4 C5 R9 L25 I28 F34 L46 L49 I50 V53A3-F7 WeakPolarHBondContact O-CB 3.43Å; A3-F7 PolarHBondContact O-N 2.86Å; R4-F7 WeakPolarHBondContact O-CB 3.22Å; R4-F7 PolarHBondContact O-N 3.07Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.28Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-L25 HydrophobicContact CD2-CD2 4.11Å; F7-L25 HydrophobicContact CE2-CB 4.17Å; F7-L25 HydrophobicContact CE2-CD2 4.12Å; F7-L25 WeakPolarHBondContact CE2-O 3.28Å; F7-I28 HydrophobicContact CB-CG2 3.88Å; F7-I28 HydrophobicContact CD2-CB 4.49Å; F7-I28 HydrophobicContact CD2-CG2 4.47Å; F7-F34 HydrophobicContact CB-CE2 4.47Å; F7-F34 HydrophobicContact CB-CZ 4.33Å; F7-F34 AromaticContact CD1-CE2 3.94Å; F7-F34 HydrophobicContact CD1-CE2 3.94Å; F7-F34 AromaticContact CD1-CZ 3.81Å; F7-F34 HydrophobicContact CD1-CZ 3.81Å; F7-F34 AromaticContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CE1-CE2 4.15Å; F7-F34 HydrophobicContact CE1-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CE2 4.13Å; F7-F34 AromaticContact CG-CE2 3.84Å; F7-F34 HydrophobicContact CG-CE2 3.84Å; F7-F34 AromaticContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CZ-CE2 4.23Å; F7-L46 HydrophobicContact CE2-CD1 3.67Å; F7-L46 HydrophobicContact CZ-CD1 4.03Å; F7-L49 HydrophobicContact CE1-CB 3.71Å; F7-L49 HydrophobicContact CZ-CB 3.85Å; F7-I50 HydrophobicContact CE2-CG1 3.76Å; F7-I50 HydrophobicContact CZ-CB 4.44Å; F7-I50 HydrophobicContact CZ-CG1 3.62Å; F7-V53 HydrophobicContact CD1-CG2 3.95Å; F7-V53 HydrophobicContact CE1-CB 4.47Å; F7-V53 HydrophobicContact CE1-CG2 3.52Å; F7-V53 HydrophobicContact CZ-CG2 4.31Å
8Y91.4Very high87.1Confident100 Ų10076.2 Ų76.239%0.39243%0.429SS..Hα-helixtrans-74.9-23-178.2-66.9-60.6000114R4 C5 L6 F34 L49 V53 N57R4-Y8 HydrophobicContact CB-CE2 4.46Å; R4-Y8 WeakPolarHBondContact O-CD2 3.47Å; R4-Y8 PolarHBondContact O-N 3.35Å; R4-Y8 VanDerWaalsContact O-N 3.17Å; C5-Y8 PolarHBondContact O-N 3.11Å; L6-Y8 PolarHBondContact O-N 3.25Å; Y8-F34 HydrophobicContact CE2-CE1 4.4Å; Y8-L49 HydrophobicContact CE1-CD2 4.36Å; Y8-V53 HydrophobicContact CD1-CG2 3.85Å; Y8-V53 HydrophobicContact CE1-CG2 4.48Å; Y8-N57 PolarHBondContact O-ND2 2.96Å
9R90.7Very high87.2Confident191 Ų19174.9 Ų74.972%0.72143%0.429SS*.Hα-helixtrans-90-7.4179.6-74.2-177.4171.9-176.3-2.9113.8C5 L6 F7 C11C5-R9 WeakPolarHBondContact O-CB 3.34Å; C5-R9 WeakPolarHBondContact O-CG 3.27Å; C5-R9 PolarHBondContact O-N 3.04Å; C5-R9 VanDerWaalsContact O-N 3.12Å; L6-R9 PolarHBondContact O-N 3.11Å; F7-R9 VanDerWaalsContact C-N 3.35Å; R9-C11 PolarHBondContact O-N 3.44Å
10Q90.5Very high87.4Confident47 Ų4776.2 Ų76.222%0.2243%0.431CS..  trans-68125.2-177.3-170.565.5-0.300110.1L6 W21 L25 N57L6-Q10 PolarHBondContact O-N 2.98Å; L6-Q10 VanDerWaalsContact O-N 3.09Å; Q10-W21 WeakPolarHBondContact O-CZ2 2.96Å; Q10-L25 HydrophobicContact CB-CD2 3.76Å; Q10-L25 HydrophobicContact CG-CD2 4.08Å; Q10-N57 PolarHBondContact O-ND2 2.85Å
11C89.2Confident87.7Confident59 Ų5972.5 Ų72.540%0.39941%0.41SS..  trans-111.8155.7171.2-60.20000109.6R9 Q13R9-C11 PolarHBondContact O-N 3.44Å; C11-Q13 PolarHBondContact O-N 2.81Å; C11-Q13 PolarHBondContact O-NE2 2.84Å; C11-Q13 VanDerWaalsContact O-NE2 3.1Å
12L89.4Confident88.6Confident30 Ų3064.1 Ų64.116%0.15737%0.37CS..PPolyproline II helixtrans-58.8124171.4-171.866.5000109Q16 Y18 W21 P59L12-Q16 HydrophobicContact CD1-CB 4.01Å; L12-Q16 HydrophobicContact CD1-CG 3.95Å; L12-Q16 WeakPolarHBondContact CD1-O 3.47Å; L12-Y18 HydrophobicContact CD2-CD1 4.43Å; L12-Y18 HydrophobicContact CD2-CE1 3.99Å; L12-Y18 HydrophobicContact CD2-CE2 4.06Å; L12-W21 HydrophobicContact CB-CD2 4.05Å; L12-W21 HydrophobicContact CB-CE3 3.82Å; L12-W21 HydrophobicContact CB-CH2 4.42Å; L12-W21 HydrophobicContact CB-CZ3 4.01Å; L12-W21 HydrophobicContact CD1-CB 3.57Å; L12-W21 HydrophobicContact CD1-CD2 3.93Å; L12-W21 HydrophobicContact CD1-CE3 3.76Å; L12-W21 HydrophobicContact CD1-CG 3.9Å; L12-W21 HydrophobicContact CG-CE3 4.29Å; L12-P59 HydrophobicContact CB-CG 4.24Å; L12-P59 HydrophobicContact CD2-CG 3.95Å
13Q86.7Confident89.2Confident100 Ų10063.2 Ų63.247%0.46736%0.362SS..PPolyproline II helixtrans-76.8151.2177.8-59.7-59.2-62.400110.7C11 G15 Q16C11-Q13 PolarHBondContact O-N 2.81Å; C11-Q13 PolarHBondContact O-NE2 2.84Å; C11-Q13 VanDerWaalsContact O-NE2 3.1Å; Q13-G15 PolarHBondContact O-N 3.02Å; Q13-Q16 HydrophobicContact CB-CB 4.02Å; Q13-Q16 VanDerWaalsContact N-OE1 3.16Å; Q13-Q16 VanDerWaalsContact O-CB 3.23Å; Q13-Q16 WeakPolarHBondContact O-CB 3.4Å; Q13-Q16 PolarHBondContact O-N 2.86Å
14P82.2Confident89.5Confident131 Ų13164.4 Ų64.485%0.85136%0.363SS*.THydrogen-bonded Turntrans-53.8124.2174.4-25.534.4000111.6Q16P14-Q16 VanDerWaalsContact C-N 3.28Å; P14-Q16 PolarHBondContact O-N 2.8Å
15G83.1Confident89.8Confident92 Ų9260 Ų6095%0.94835%0.347SS*.THydrogen-bonded Turntrans80.8-5.3-178.900000115.9Q13Q13-G15 PolarHBondContact O-N 3.02Å
16Q88.4Confident90.1Very high20 Ų2062.1 Ų62.19%0.09335%0.347CS..  trans-73.9136.4175.1-179.2169.457.600110.9L12 Q13 P14 E20 W21 N24L12-Q16 HydrophobicContact CD1-CB 4.01Å; L12-Q16 HydrophobicContact CD1-CG 3.95Å; L12-Q16 WeakPolarHBondContact CD1-O 3.47Å; Q13-Q16 HydrophobicContact CB-CB 4.02Å; Q13-Q16 VanDerWaalsContact N-OE1 3.16Å; Q13-Q16 VanDerWaalsContact O-CB 3.23Å; Q13-Q16 WeakPolarHBondContact O-CB 3.4Å; Q13-Q16 PolarHBondContact O-N 2.86Å; P14-Q16 VanDerWaalsContact C-N 3.28Å; P14-Q16 PolarHBondContact O-N 2.8Å; Q16-E20 HydrophobicContact CG-CB 4.04Å; Q16-E20 HydrophobicContact CG-CG 4.36Å; Q16-E20 PolarHBondContact NE2-OE1 3.11Å; Q16-W21 HydrophobicContact CG-CB 4.42Å; Q16-N24 PolarHBondContact NE2-ND2 3.14Å
17A88Confident90.3Very high35 Ų3559.2 Ų59.229%0.28934%0.343SS..  trans-77.2147.7173.200000111.6A19 E20 W21 E86A17-A19 PolarHBondContact O-N 2.94Å; A17-E20 WeakPolarHBondContact O-CB 3.31Å; A17-E20 PolarHBondContact O-N 3.14Å; A17-W21 PolarHBondContact O-N 3.41Å; A17-E86 WeakPolarHBondContact CA-OE1 3.19Å
18Y89Confident90.2Very high10 Ų1061.5 Ų61.54%0.03936%0.355CS..Hα-helixtrans-56.5-37.9177.1-81.5-81.1000112.9L12 E20 W21 V22 M58 A82 E86L12-Y18 HydrophobicContact CD2-CD1 4.43Å; L12-Y18 HydrophobicContact CD2-CE1 3.99Å; L12-Y18 HydrophobicContact CD2-CE2 4.06Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.19Å; Y18-W21 AromaticContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CZ3 4.1Å; Y18-W21 AromaticContact CE1-CE3 3.96Å; Y18-W21 HydrophobicContact CE1-CE3 3.96Å; Y18-W21 AromaticContact CE1-CZ3 3.85Å; Y18-W21 HydrophobicContact CE1-CZ3 3.85Å; Y18-W21 PolarHBondContact O-N 2.82Å; Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.41Å; Y18-V22 PolarHBondContact O-N 3.35Å; Y18-M58 HydrophobicContact CD1-CE 4.49Å; Y18-M58 HydrophobicContact CE1-CE 3.67Å; Y18-M58 HydrophobicContact CE1-CG 4.28Å; Y18-M58 WeakPolarHBondContact OH-CG 3.11Å; Y18-A82 HydrophobicContact CD1-CB 3.67Å; Y18-A82 HydrophobicContact CD2-CB 3.52Å; Y18-A82 HydrophobicContact CE1-CB 3.9Å; Y18-A82 HydrophobicContact CE2-CB 3.8Å; Y18-A82 HydrophobicContact CG-CB 3.5Å; Y18-E86 HydrophobicContact CD2-CG 3.7Å; Y18-E86 WeakPolarHBondContact CD2-OE1 3.27Å; Y18-E86 HydrophobicContact CE2-CG 4.03Å; Y18-E86 PolarHBondContact N-OE1 3.45Å
19A88.9Confident90.2Very high53 Ų5356.9 Ų56.944%0.43834%0.338SS..Hα-helixtrans-60.9-38.9176.400000112.2A17 A23A17-A19 PolarHBondContact O-N 2.94Å; A19-A23 PolarHBondContact O-N 2.95Å; A19-A23 VanDerWaalsContact O-N 3.07Å
20E91.9Very high90Very high99 Ų9955.8 Ų55.846%0.46334%0.338SS..Hα-helixtrans-69.9-41.1176.1-164.5-158.8130.900111.1Q16 A17 Y18 V22 A23 N24Q16-E20 HydrophobicContact CG-CB 4.04Å; Q16-E20 HydrophobicContact CG-CG 4.36Å; Q16-E20 PolarHBondContact NE2-OE1 3.11Å; A17-E20 WeakPolarHBondContact O-CB 3.31Å; A17-E20 PolarHBondContact O-N 3.14Å; Y18-E20 VanDerWaalsContact C-N 3.29Å; Y18-E20 PolarHBondContact O-N 3.19Å; E20-V22 PolarHBondContact O-N 3.29Å; E20-A23 WeakPolarHBondContact O-CB 3.31Å; E20-A23 PolarHBondContact O-N 3.07Å; E20-A23 VanDerWaalsContact O-N 3.16Å; E20-N24 WeakPolarHBondContact O-CB 3.12Å; E20-N24 PolarHBondContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 2.92Å
21W93.3Very high89.7Confident0 Ų059.9 Ų59.90%036%0.362CS..Hα-helixtrans-61.4-43.4175.5-17629000112.3Q10 L12 Q16 A17 Y18 A23 N24 L25 V53 I54 N57Q10-W21 WeakPolarHBondContact O-CZ2 2.96Å; L12-W21 HydrophobicContact CB-CD2 4.05Å; L12-W21 HydrophobicContact CB-CE3 3.82Å; L12-W21 HydrophobicContact CB-CH2 4.42Å; L12-W21 HydrophobicContact CB-CZ3 4.01Å; L12-W21 HydrophobicContact CD1-CB 3.57Å; L12-W21 HydrophobicContact CD1-CD2 3.93Å; L12-W21 HydrophobicContact CD1-CE3 3.76Å; L12-W21 HydrophobicContact CD1-CG 3.9Å; L12-W21 HydrophobicContact CG-CE3 4.29Å; Q16-W21 HydrophobicContact CG-CB 4.42Å; A17-W21 PolarHBondContact O-N 3.41Å; Y18-W21 AromaticContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CE3 3.76Å; Y18-W21 HydrophobicContact CD1-CZ3 4.1Å; Y18-W21 AromaticContact CE1-CE3 3.96Å; Y18-W21 HydrophobicContact CE1-CE3 3.96Å; Y18-W21 AromaticContact CE1-CZ3 3.85Å; Y18-W21 HydrophobicContact CE1-CZ3 3.85Å; Y18-W21 PolarHBondContact O-N 2.82Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.26Å; W21-N24 PolarHBondContact O-N 3.33Å; W21-L25 HydrophobicContact CD2-CD1 4.39Å; W21-L25 HydrophobicContact CG-CD1 4.42Å; W21-L25 HydrophobicContact CZ2-CD1 4.48Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 2.74Å; W21-V53 HydrophobicContact CZ2-CG1 4.33Å; W21-I54 HydrophobicContact CD2-CG1 4.43Å; W21-I54 HydrophobicContact CE3-CG1 4.09Å; W21-I54 HydrophobicContact CH2-CB 4.36Å; W21-I54 HydrophobicContact CH2-CG1 4.24Å; W21-I54 HydrophobicContact CZ3-CB 4.2Å; W21-I54 HydrophobicContact CZ3-CG1 4Å; W21-I54 HydrophobicContact CZ3-CG2 4Å; W21-N57 HydrophobicContact CH2-CB 4.04Å; W21-N57 HydrophobicContact CZ2-CB 4.04Å
22V93.6Very high89.5Confident15 Ų1557.5 Ų57.59%0.09135%0.346CS..Hα-helixtrans-57.9-45.7172.7172.10000110.6Y18 E20 N24 L25 R26 I50 I54 L75Y18-V22 VanDerWaalsContact O-CG2 3.26Å; Y18-V22 WeakPolarHBondContact O-CG2 3.41Å; Y18-V22 PolarHBondContact O-N 3.35Å; E20-V22 PolarHBondContact O-N 3.29Å; V22-N24 PolarHBondContact O-N 3.46Å; V22-L25 PolarHBondContact O-N 3.09Å; V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.29Å; V22-I50 HydrophobicContact CG1-CG2 4.44Å; V22-I54 HydrophobicContact CG2-CD1 3.45Å; V22-I54 VanDerWaalsContact CG2-CD1 3.45Å; V22-L75 HydrophobicContact CG1-CD2 4.46Å
23A93.7Very high89.3Confident56 Ų5663.7 Ų63.746%0.46337%0.374SS..Hα-helixtrans-62.2-42.9178.900000112A19 E20 W21 R26 G27A19-A23 PolarHBondContact O-N 2.95Å; A19-A23 VanDerWaalsContact O-N 3.07Å; E20-A23 WeakPolarHBondContact O-CB 3.31Å; E20-A23 PolarHBondContact O-N 3.07Å; E20-A23 VanDerWaalsContact O-N 3.16Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.26Å; A23-R26 WeakPolarHBondContact O-CB 3.39Å; A23-R26 PolarHBondContact O-N 2.85Å; A23-G27 PolarHBondContact O-N 2.89Å
24N92.6Very high89.4Confident62 Ų6259.3 Ų59.333%0.33235%0.353SS..Hα-helixtrans-62.8-44.9176.3-74.2-32.4000112Q16 E20 W21 V22 R26 G27 I28Q16-N24 PolarHBondContact NE2-ND2 3.14Å; E20-N24 WeakPolarHBondContact O-CB 3.12Å; E20-N24 PolarHBondContact O-N 3.13Å; E20-N24 PolarHBondContact O-ND2 2.92Å; W21-N24 PolarHBondContact O-N 3.33Å; V22-N24 PolarHBondContact O-N 3.46Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.3Å; N24-G27 PolarHBondContact O-N 2.87Å; N24-G27 VanDerWaalsContact O-N 3.15Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3.04Å
25L94.2Very high89.7Confident0 Ų058.4 Ų58.40%034%0.341CS..Hα-helixtrans-61.2-41.6174.5-75.3172.1000112.2F7 Q10 W21 V22 G27 I28 G29 I50 V53 I54F7-L25 HydrophobicContact CD2-CD2 4.11Å; F7-L25 HydrophobicContact CE2-CB 4.17Å; F7-L25 HydrophobicContact CE2-CD2 4.12Å; F7-L25 WeakPolarHBondContact CE2-O 3.28Å; Q10-L25 HydrophobicContact CB-CD2 3.76Å; Q10-L25 HydrophobicContact CG-CD2 4.08Å; W21-L25 HydrophobicContact CD2-CD1 4.39Å; W21-L25 HydrophobicContact CG-CD1 4.42Å; W21-L25 HydrophobicContact CZ2-CD1 4.48Å; W21-L25 WeakPolarHBondContact O-CG 3.33Å; W21-L25 PolarHBondContact O-N 2.74Å; V22-L25 PolarHBondContact O-N 3.09Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.18Å; L25-I28 PolarHBondContact O-N 2.99Å; L25-G29 PolarHBondContact O-N 3.38Å; L25-I50 HydrophobicContact CB-CD1 4.25Å; L25-I50 HydrophobicContact CB-CG1 4.05Å; L25-I50 HydrophobicContact CB-CG2 4.2Å; L25-I50 HydrophobicContact CD1-CG2 3.93Å; L25-V53 HydrophobicContact CD1-CB 4.48Å; L25-V53 HydrophobicContact CD1-CG1 3.99Å; L25-V53 HydrophobicContact CD2-CG1 3.89Å; L25-I54 HydrophobicContact CD1-CD1 4.36Å; L25-I54 HydrophobicContact CD1-CG1 3.88Å
26R94.2Very high89.9Confident97 Ų9755.6 Ų55.637%0.36631%0.306SS..Hα-helixtrans-60.3-41.2173.6-73.5-179.1-178.7-762111.5V22 A23 N24 K30 D47 I50 L75V22-R26 WeakPolarHBondContact O-CG 3.49Å; V22-R26 PolarHBondContact O-N 3.29Å; A23-R26 WeakPolarHBondContact O-CB 3.39Å; A23-R26 PolarHBondContact O-N 2.85Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.3Å; R26-K30 PolarHBondContact O-N 3.32Å; R26-K30 VanDerWaalsContact O-N 3.13Å; R26-D47 IonicContact CZ-OD1 3.48Å; R26-D47 IonicContact CZ-OD2 3.08Å; R26-D47 VanDerWaalsContact NH1-CG 3.35Å; R26-D47 IonicContact NH1-OD1 2.68Å; R26-D47 PolarHBondContact NH1-OD1 2.93Å; R26-D47 IonicContact NH1-OD2 3.78Å; R26-D47 PolarHBondContact NH1-OD2 3.28Å; R26-D47 IonicContact NH2-OD1 3.53Å; R26-D47 IonicContact NH2-OD2 2.66Å; R26-D47 PolarHBondContact NH2-OD2 3.02Å; R26-I50 HydrophobicContact CB-CD1 4.2Å; R26-I50 HydrophobicContact CG-CD1 3.33Å; R26-L75 VanDerWaalsContact NH2-CD2 3.28Å
27G92.5Very high89.7Confident47 Ų4759.7 Ų59.749%0.48533%0.334SS..Hα-helixtrans-60.2-53.3175.800000112.5A23 N24 L25 G29 K30A23-G27 PolarHBondContact O-N 2.89Å; N24-G27 PolarHBondContact O-N 2.87Å; N24-G27 VanDerWaalsContact O-N 3.15Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 3.18Å; G27-G29 VanDerWaalsContact C-N 3.32Å; G27-G29 PolarHBondContact O-N 3.21Å; G27-K30 WeakPolarHBondContact O-CB 3.33Å; G27-K30 PolarHBondContact O-N 3.27Å
28I90.8Very high89.6Confident48 Ų4862.2 Ų62.225%0.24634%0.343CS..Hα-helixtrans-63.1-40.3179.5-60.3164.8000111.2A3 L6 F7 N24 L25 K30 C32A3-I28 WeakPolarHBondContact O-CG2 3.19Å; L6-I28 HydrophobicContact CB-CG2 4.23Å; F7-I28 HydrophobicContact CB-CG2 3.88Å; F7-I28 HydrophobicContact CD2-CB 4.49Å; F7-I28 HydrophobicContact CD2-CG2 4.47Å; N24-I28 WeakPolarHBondContact O-CG1 3.39Å; N24-I28 PolarHBondContact O-N 3.04Å; L25-I28 PolarHBondContact O-N 2.99Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å; I28-C32 PolarHBondContact O-SG 3.06Å
29G91Very high89.2Confident3 Ų371.8 Ų71.83%0.03139%0.385CS..Hα-helixtrans-76.9-15.7-174.900000114.9L25 G27 D31 C32L25-G29 PolarHBondContact O-N 3.38Å; G27-G29 VanDerWaalsContact C-N 3.32Å; G27-G29 PolarHBondContact O-N 3.21Å; G29-D31 VanDerWaalsContact C-N 3.28Å; G29-D31 PolarHBondContact O-N 3.48Å; G29-C32 WeakPolarHBondContact O-CB 3.28Å; G29-C32 PolarHBondContact O-N 2.99Å; G29-C32 VanDerWaalsContact O-N 3.14Å
30K87.5Confident89.1Confident168 Ų16878.6 Ų78.673%0.7340%0.404SS*.THydrogen-bonded Turntrans-56.1-41.3-177-170.7178.6178.2-176.40112.7R26 G27 I28R26-K30 PolarHBondContact O-N 3.32Å; R26-K30 VanDerWaalsContact O-N 3.13Å; G27-K30 WeakPolarHBondContact O-CB 3.33Å; G27-K30 PolarHBondContact O-N 3.27Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.25Å
31D83.1Confident88.8Confident132 Ų13276 Ų7671%0.70640%0.397SS*.THydrogen-bonded Turntrans-96.83.5-176.6-57.9-35.3000113.2G29 Q33G29-D31 VanDerWaalsContact C-N 3.28Å; G29-D31 PolarHBondContact O-N 3.48Å; D31-Q33 VanDerWaalsContact C-N 3.32Å; D31-Q33 PolarHBondContact O-N 3.47Å
32C85.7Confident88.1Confident9 Ų978.8 Ų78.86%0.06143%0.426CS..THydrogen-bonded Turntrans-83-5.3-175.6-74.90000114.6A3 R4 I28 G29 F34A3-C32 VanDerWaalsContact C-SG 3.51Å; A3-C32 VanDerWaalsContact CB-SG 3.54Å; R4-C32 HydrophobicContact CG-CB 3.77Å; I28-C32 PolarHBondContact O-SG 3.06Å; G29-C32 WeakPolarHBondContact O-CB 3.28Å; G29-C32 PolarHBondContact O-N 2.99Å; G29-C32 VanDerWaalsContact O-N 3.14Å; C32-F34 VanDerWaalsContact C-N 3.28Å; C32-F34 HydrophobicContact CB-CD1 4.27Å; C32-F34 HydrophobicContact CB-CD2 3.48Å; C32-F34 VanDerWaalsContact CB-CD2 3.48Å; C32-F34 HydrophobicContact CB-CE1 4.05Å; C32-F34 HydrophobicContact CB-CE2 3.21Å; C32-F34 HydrophobicContact CB-CG 4.03Å; C32-F34 HydrophobicContact CB-CZ 3.53Å; C32-F34 PolarHBondContact O-N 3.18Å
33Q85.7Confident87.6Confident160 Ų16085.2 Ų85.275%0.74845%0.452SS*.THydrogen-bonded Turntrans50.146.6-176.8-60.8179.8-4.600112.5D31 L35D31-Q33 VanDerWaalsContact C-N 3.32Å; D31-Q33 PolarHBondContact O-N 3.47Å; Q33-L35 PolarHBondContact O-N 2.91Å
34F88.9Confident87.4Confident9 Ų986.3 Ų86.34%0.03946%0.457CS..  trans-72.996.3174.7-65.5-55.5000110.1R4 F7 Y8 C32 Y45 L46 L49R4-F34 HydrophobicContact CB-CZ 4.37Å; R4-F34 HydrophobicContact CG-CE1 3.85Å; R4-F34 HydrophobicContact CG-CZ 3.86Å; R4-F34 VanDerWaalsContact CZ-CE1 3.44Å; F7-F34 HydrophobicContact CB-CE2 4.47Å; F7-F34 HydrophobicContact CB-CZ 4.33Å; F7-F34 AromaticContact CD1-CE2 3.94Å; F7-F34 HydrophobicContact CD1-CE2 3.94Å; F7-F34 AromaticContact CD1-CZ 3.81Å; F7-F34 HydrophobicContact CD1-CZ 3.81Å; F7-F34 AromaticContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CD2-CE2 3.95Å; F7-F34 HydrophobicContact CE1-CE2 4.15Å; F7-F34 HydrophobicContact CE1-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CE2 4.13Å; F7-F34 AromaticContact CG-CE2 3.84Å; F7-F34 HydrophobicContact CG-CE2 3.84Å; F7-F34 AromaticContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CG-CZ 3.96Å; F7-F34 HydrophobicContact CZ-CE2 4.23Å; Y8-F34 HydrophobicContact CE2-CE1 4.4Å; C32-F34 VanDerWaalsContact C-N 3.28Å; C32-F34 HydrophobicContact CB-CD1 4.27Å; C32-F34 HydrophobicContact CB-CD2 3.48Å; C32-F34 VanDerWaalsContact CB-CD2 3.48Å; C32-F34 HydrophobicContact CB-CE1 4.05Å; C32-F34 HydrophobicContact CB-CE2 3.21Å; C32-F34 HydrophobicContact CB-CG 4.03Å; C32-F34 HydrophobicContact CB-CZ 3.53Å; C32-F34 PolarHBondContact O-N 3.18Å; F34-Y45 PolarHBondContact O-N 3.45Å; F34-L46 HydrophobicContact CD2-CD1 3.79Å; F34-L46 HydrophobicContact CE2-CD1 4.24Å; F34-L49 HydrophobicContact CB-CD1 3.61Å; F34-L49 HydrophobicContact CD1-CD1 3.17Å; F34-L49 HydrophobicContact CD2-CD1 3.8Å; F34-L49 HydrophobicContact CE1-CD1 3.6Å; F34-L49 HydrophobicContact CE2-CD1 4.16Å; F34-L49 HydrophobicContact CG-CD1 3.26Å; F34-L49 HydrophobicContact CZ-CD1 4.07Å
35L88.1Confident87.3Confident112 Ų11286.6 Ų86.659%0.58645%0.454SS*.BIsolated β-bridgetrans-103.4151.5-179.6-62.5174.9000111.2Q33Q33-L35 PolarHBondContact O-N 2.91Å
36C86.9Confident87.2Confident33 Ų3387.5 Ų87.522%0.22346%0.458CS..  trans-55.5135.8174.4-174.40000110.4D38 C41 K43C36-D38 PolarHBondContact O-N 2.9Å; C36-D38 VanDerWaalsContact O-N 3.16Å; C36-C41 HydrophobicContact CB-CB 3.79Å; C36-K43 PolarHBondContact N-O 3.08Å
37P84.4Confident87.1Confident106 Ų10685.9 Ų85.969%0.68846%0.457SS*.SBendtrans-58.3-27.1178.3-25.733.7000114K39P37-K39 PolarHBondContact O-N 3.35Å
38D86.5Confident87.1Confident88 Ų8889.3 Ų89.347%0.47146%0.456SS..SBendtrans-74.4112171.8-176.3-2000110.2C36 K40 C41C36-D38 PolarHBondContact O-N 2.9Å; C36-D38 VanDerWaalsContact O-N 3.16Å; D38-K40 PolarHBondContact O-N 3.11Å; D38-K40 WeakPolarHBondContact OD1-CB 3.33Å; D38-K40 PolarHBondContact OD1-N 3.35Å; D38-C41 HydrophobicContact CB-CB 3.96Å; D38-C41 WeakPolarHBondContact O-CB 3.16Å; D38-C41 PolarHBondContact O-N 3.12Å
39K80.4Confident87.3Confident211 Ų21187.9 Ų87.992%0.91745%0.449SS*.THydrogen-bonded Turntrans-55.2-25177.8-65.4-174.3179.6-178.10113.1P37P37-K39 PolarHBondContact O-N 3.35Å
40K85.2Confident87.5Confident195 Ų19587.8 Ų87.885%0.84845%0.447SS*.THydrogen-bonded Turntrans-81.6-21.6177.7-62.1-177.6-179.6-1800113.1D38D38-K40 PolarHBondContact O-N 3.11Å; D38-K40 WeakPolarHBondContact OD1-CB 3.33Å; D38-K40 PolarHBondContact OD1-N 3.35Å
41C85.7Confident87.8Confident46 Ų4681.1 Ų81.131%0.31142%0.418SS..THydrogen-bonded Turntrans-76.7-45.8-172.8-178.60000112C36 D38 K43C36-C41 HydrophobicContact CB-CB 3.79Å; D38-C41 HydrophobicContact CB-CB 3.96Å; D38-C41 WeakPolarHBondContact O-CB 3.16Å; D38-C41 PolarHBondContact O-N 3.12Å; C41-K43 PolarHBondContact O-N 2.65Å
42G78.8Confident88.3Confident58 Ų5877.7 Ų77.760%0.59840%0.4SS*.  trans62.5-2.6178.700000115.9
43K84.7Confident88.7Confident150 Ų15077.6 Ų77.665%0.65240%0.398SS*.  trans-74.6151.9-179.2-63-179.6-174.3179.10111.2C36 C41 Y45C36-K43 PolarHBondContact N-O 3.08Å; C41-K43 PolarHBondContact O-N 2.65Å; K43-Y45 PolarHBondContact O-N 3.34Å
44S87.6Confident89Confident79 Ų7970 Ų7055%0.55236%0.363SS*.BIsolated β-bridgetrans-58.8131.2169.2179.80000110.2L46S44-L46 VanDerWaalsContact OG-CB 3.25Å; S44-L46 WeakPolarHBondContact OG-CB 2.83Å; S44-L46 PolarHBondContact OG-N 3.06Å
45Y91Very high89.1Confident68 Ų6870.6 Ų70.627%0.26737%0.367SS..  trans-99.18.2173.9-159.1-113.3000111.7F34 K43 D47 Y48 L49F34-Y45 PolarHBondContact O-N 3.45Å; K43-Y45 PolarHBondContact O-N 3.34Å; Y45-D47 PolarHBondContact O-N 3.45Å; Y45-Y48 AromaticContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CE2 4.47Å; Y45-Y48 HydrophobicContact CD2-CG 4.15Å; Y45-Y48 AromaticContact CE2-CD2 3.83Å; Y45-Y48 HydrophobicContact CE2-CD2 3.83Å; Y45-Y48 AromaticContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CG-CD2 4.46Å; Y45-Y48 PolarHBondContact O-N 3.03Å; Y45-L49 HydrophobicContact CD1-CD1 4.12Å; Y45-L49 HydrophobicContact CD1-CD2 3.97Å; Y45-L49 HydrophobicContact CD1-CG 3.71Å; Y45-L49 HydrophobicContact CE1-CD2 3.94Å; Y45-L49 HydrophobicContact CE1-CG 4.12Å; Y45-L49 WeakPolarHBondContact O-CG 3.23Å; Y45-L49 PolarHBondContact O-N 2.95Å
46L92.8Very high89.3Confident18 Ų1870.1 Ų70.19%0.09437%0.369CS..Hα-helixtrans-58.5-50.2-173.5178.258.7000112.3F7 F34 S44 Y48 L49 I50F7-L46 HydrophobicContact CE2-CD1 3.67Å; F7-L46 HydrophobicContact CZ-CD1 4.03Å; F34-L46 HydrophobicContact CD2-CD1 3.79Å; F34-L46 HydrophobicContact CE2-CD1 4.24Å; S44-L46 VanDerWaalsContact OG-CB 3.25Å; S44-L46 WeakPolarHBondContact OG-CB 2.83Å; S44-L46 PolarHBondContact OG-N 3.06Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.26Å; L46-L49 CarbonylContact O-C 3.24Å; L46-L49 WeakPolarHBondContact O-CB 3.29Å; L46-L49 PolarHBondContact O-N 3.14Å; L46-I50 HydrophobicContact CD1-CD1 3.88Å; L46-I50 HydrophobicContact CD1-CG1 3.91Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.76Å; L46-I50 HydrophobicContact CG-CG1 4.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 3.27Å
47D92.7Very high89.4Confident64 Ų6470.4 Ų70.434%0.34237%0.368SS..Hα-helixtrans-61.9-34.3-176-7634.7000113R26 Y45 I50 R51 L75R26-D47 IonicContact CZ-OD1 3.48Å; R26-D47 IonicContact CZ-OD2 3.08Å; R26-D47 VanDerWaalsContact NH1-CG 3.35Å; R26-D47 IonicContact NH1-OD1 2.68Å; R26-D47 PolarHBondContact NH1-OD1 2.93Å; R26-D47 IonicContact NH1-OD2 3.78Å; R26-D47 PolarHBondContact NH1-OD2 3.28Å; R26-D47 IonicContact NH2-OD1 3.53Å; R26-D47 IonicContact NH2-OD2 2.66Å; R26-D47 PolarHBondContact NH2-OD2 3.02Å; Y45-D47 PolarHBondContact O-N 3.45Å; D47-I50 PolarHBondContact O-N 3.49Å; D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 PolarHBondContact O-N 3.28Å; D47-L75 HydrophobicContact CB-CD2 4.02Å
48Y92.7Very high89.5Confident118 Ų11865.7 Ų65.746%0.46334%0.338SS..Hα-helixtrans-66.5-42.2174-67.6-82.5000111.3Y45 L46 R51 D52Y45-Y48 AromaticContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CD2 3.73Å; Y45-Y48 HydrophobicContact CD2-CE2 4.47Å; Y45-Y48 HydrophobicContact CD2-CG 4.15Å; Y45-Y48 AromaticContact CE2-CD2 3.83Å; Y45-Y48 HydrophobicContact CE2-CD2 3.83Å; Y45-Y48 AromaticContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CE2-CG 3.85Å; Y45-Y48 HydrophobicContact CG-CD2 4.46Å; Y45-Y48 PolarHBondContact O-N 3.03Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 3.26Å; Y48-R51 WeakPolarHBondContact O-CB 3.32Å; Y48-R51 PolarHBondContact O-N 2.75Å; Y48-D52 PolarHBondContact O-N 2.92Å
49L93.9Very high89.4Confident19 Ų1964.5 Ų64.510%0.09933%0.334CS..Hα-helixtrans-69.7-36.2177.2-65.2175.2000112.4F7 Y8 F34 Y45 L46 R51 D52 V53F7-L49 HydrophobicContact CE1-CB 3.71Å; F7-L49 HydrophobicContact CZ-CB 3.85Å; Y8-L49 HydrophobicContact CE1-CD2 4.36Å; F34-L49 HydrophobicContact CB-CD1 3.61Å; F34-L49 HydrophobicContact CD1-CD1 3.17Å; F34-L49 HydrophobicContact CD2-CD1 3.8Å; F34-L49 HydrophobicContact CE1-CD1 3.6Å; F34-L49 HydrophobicContact CE2-CD1 4.16Å; F34-L49 HydrophobicContact CG-CD1 3.26Å; F34-L49 HydrophobicContact CZ-CD1 4.07Å; Y45-L49 HydrophobicContact CD1-CD1 4.12Å; Y45-L49 HydrophobicContact CD1-CD2 3.97Å; Y45-L49 HydrophobicContact CD1-CG 3.71Å; Y45-L49 HydrophobicContact CE1-CD2 3.94Å; Y45-L49 HydrophobicContact CE1-CG 4.12Å; Y45-L49 WeakPolarHBondContact O-CG 3.23Å; Y45-L49 PolarHBondContact O-N 2.95Å; L46-L49 CarbonylContact O-C 3.24Å; L46-L49 WeakPolarHBondContact O-CB 3.29Å; L46-L49 PolarHBondContact O-N 3.14Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-D52 PolarHBondContact O-N 3.07Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.38Å
50I94.6Very high89.6Confident0 Ų056.5 Ų56.50%030%0.302CS..Hα-helixtrans-62.6-46.8174.6-67.5178.3000109.3F7 V22 L25 R26 L46 D47 D52 V53 I54 L75F7-I50 HydrophobicContact CE2-CG1 3.76Å; F7-I50 HydrophobicContact CZ-CB 4.44Å; F7-I50 HydrophobicContact CZ-CG1 3.62Å; V22-I50 HydrophobicContact CG1-CG2 4.44Å; L25-I50 HydrophobicContact CB-CD1 4.25Å; L25-I50 HydrophobicContact CB-CG1 4.05Å; L25-I50 HydrophobicContact CB-CG2 4.2Å; L25-I50 HydrophobicContact CD1-CG2 3.93Å; R26-I50 HydrophobicContact CB-CD1 4.2Å; R26-I50 HydrophobicContact CG-CD1 3.33Å; L46-I50 HydrophobicContact CD1-CD1 3.88Å; L46-I50 HydrophobicContact CD1-CG1 3.91Å; L46-I50 HydrophobicContact CD2-CD1 4.42Å; L46-I50 HydrophobicContact CG-CD1 3.76Å; L46-I50 HydrophobicContact CG-CG1 4.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.06Å; L46-I50 PolarHBondContact O-N 3.27Å; D47-I50 PolarHBondContact O-N 3.49Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.23Å; I50-V53 PolarHBondContact O-N 3.33Å; I50-I54 HydrophobicContact CG2-CD1 3.65Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.34Å; I50-I54 PolarHBondContact O-N 3.49Å; I50-L75 HydrophobicContact CB-CD1 4.38Å; I50-L75 HydrophobicContact CB-CD2 4.09Å; I50-L75 HydrophobicContact CG2-CD1 3.67Å; I50-L75 HydrophobicContact CG2-CD2 3.83Å; I50-L75 HydrophobicContact CG2-CG 4.44Å
51R94.4Very high89.6Confident28 Ų2852.9 Ų52.911%0.10629%0.288CS..Hα-helixtrans-54.1-48.8174176.8-155.965.2177.62.4111.1D47 Y48 L49 V53 I54 V55 N72 P73 L75 V78D47-R51 WeakPolarHBondContact O-CB 3.41Å; D47-R51 PolarHBondContact O-N 3.28Å; Y48-R51 WeakPolarHBondContact O-CB 3.32Å; Y48-R51 PolarHBondContact O-N 2.75Å; L49-R51 VanDerWaalsContact C-N 3.35Å; R51-V53 PolarHBondContact O-N 3.11Å; R51-I54 PolarHBondContact O-N 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.18Å; R51-V55 PolarHBondContact O-N 3.41Å; R51-N72 PolarHBondContact NH1-OD1 3Å; R51-P73 WeakPolarHBondContact CD-O 3.46Å; R51-P73 PolarHBondContact NH1-O 3.25Å; R51-L75 HydrophobicContact CB-CB 4.27Å; R51-L75 HydrophobicContact CB-CD1 4.36Å; R51-V78 HydrophobicContact CG-CG2 3.79Å
52D93.3Very high89.4Confident61 Ų6154 Ų5433%0.32629%0.288SS..Hα-helixtrans-65.3-40.8-176.9-65.2-8.7000111.5Y48 L49 I50 T56Y48-D52 PolarHBondContact O-N 2.92Å; L49-D52 PolarHBondContact O-N 3.07Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.23Å; D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.44Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 2.93Å
53V93.6Very high89.8Confident6 Ų651.3 Ų51.34%0.03626%0.26CS..Hα-helixtrans-63.6-44.7174.6169.10000111F7 Y8 W21 L25 L49 I50 R51 T56 N57F7-V53 HydrophobicContact CD1-CG2 3.95Å; F7-V53 HydrophobicContact CE1-CB 4.47Å; F7-V53 HydrophobicContact CE1-CG2 3.52Å; F7-V53 HydrophobicContact CZ-CG2 4.31Å; Y8-V53 HydrophobicContact CD1-CG2 3.85Å; Y8-V53 HydrophobicContact CE1-CG2 4.48Å; W21-V53 HydrophobicContact CZ2-CG1 4.33Å; L25-V53 HydrophobicContact CD1-CB 4.48Å; L25-V53 HydrophobicContact CD1-CG1 3.99Å; L25-V53 HydrophobicContact CD2-CG1 3.89Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.39Å; L49-V53 PolarHBondContact O-N 3.38Å; I50-V53 PolarHBondContact O-N 3.33Å; R51-V53 PolarHBondContact O-N 3.11Å; V53-T56 PolarHBondContact O-N 3.33Å; V53-N57 WeakPolarHBondContact O-CB 3.39Å; V53-N57 PolarHBondContact O-N 2.96Å
54I92.4Very high90Very high2 Ų248 Ų481%0.0124%0.244CC..Hα-helixtrans-60-52.1177.9-71.9170.7000110.3W21 V22 L25 I50 R51 T56 M58 L75 V78W21-I54 HydrophobicContact CD2-CG1 4.43Å; W21-I54 HydrophobicContact CE3-CG1 4.09Å; W21-I54 HydrophobicContact CH2-CB 4.36Å; W21-I54 HydrophobicContact CH2-CG1 4.24Å; W21-I54 HydrophobicContact CZ3-CB 4.2Å; W21-I54 HydrophobicContact CZ3-CG1 4Å; W21-I54 HydrophobicContact CZ3-CG2 4Å; V22-I54 HydrophobicContact CG2-CD1 3.45Å; V22-I54 VanDerWaalsContact CG2-CD1 3.45Å; L25-I54 HydrophobicContact CD1-CD1 4.36Å; L25-I54 HydrophobicContact CD1-CG1 3.88Å; I50-I54 HydrophobicContact CG2-CD1 3.65Å; I50-I54 HydrophobicContact CG2-CG1 4.3Å; I50-I54 WeakPolarHBondContact O-CB 3.45Å; I50-I54 VanDerWaalsContact O-CG1 3.26Å; I50-I54 WeakPolarHBondContact O-CG1 3.34Å; I50-I54 PolarHBondContact O-N 3.49Å; R51-I54 PolarHBondContact O-N 3.28Å; I54-T56 VanDerWaalsContact C-N 3.29Å; I54-T56 PolarHBondContact O-N 2.9Å; I54-M58 HydrophobicContact CG2-CE 3.48Å; I54-M58 VanDerWaalsContact CG2-CE 3.48Å; I54-M58 WeakPolarHBondContact O-CA 3.44Å; I54-M58 VanDerWaalsContact O-CB 3.23Å; I54-M58 WeakPolarHBondContact O-CB 3.42Å; I54-M58 PolarHBondContact O-N 3.24Å; I54-L75 HydrophobicContact CD1-CD1 3.72Å; I54-V78 HydrophobicContact CB-CG1 4.5Å; I54-V78 HydrophobicContact CG2-CG1 3.63Å
55V92.1Very high90.1Very high20 Ų2048.1 Ų48.112%0.12124%0.238CC..Hα-helixtrans-63.8-34.8-1791750000112R51 R64 A67 L68 V78R51-V55 WeakPolarHBondContact O-CG2 3.18Å; R51-V55 PolarHBondContact O-N 3.41Å; V55-R64 WeakPolarHBondContact O-CD 3.36Å; V55-R64 WeakPolarHBondContact O-CG 3.33Å; V55-A67 HydrophobicContact CG2-CB 4.12Å; V55-L68 HydrophobicContact CG1-CD2 3.77Å; V55-L68 HydrophobicContact CG1-CG 4.07Å; V55-V78 HydrophobicContact CG2-CG1 3.91Å; V55-V78 HydrophobicContact CG2-CG2 3.95Å
56T90.9Very high89.9Confident103 Ų10345.6 Ų45.663%0.63223%0.231SC*.Hα-helixtrans-77.1-41.7-177.8-54.70000112.5D52 V53 I54D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.44Å; D52-T56 PolarHBondContact O-N 3.32Å; D52-T56 PolarHBondContact O-OG1 2.93Å; V53-T56 PolarHBondContact O-N 3.33Å; I54-T56 VanDerWaalsContact C-N 3.29Å; I54-T56 PolarHBondContact O-N 2.9Å
57N90.8Very high89.7Confident38 Ų3844.8 Ų44.820%0.20323%0.227CC..SBendtrans-102.313.3-173-60.6-5.8000112.5Y8 Q10 W21 V53Y8-N57 PolarHBondContact O-ND2 2.96Å; Q10-N57 PolarHBondContact O-ND2 2.85Å; W21-N57 HydrophobicContact CH2-CB 4.04Å; W21-N57 HydrophobicContact CZ2-CB 4.04Å; V53-N57 WeakPolarHBondContact O-CB 3.39Å; V53-N57 PolarHBondContact O-N 2.96Å
58M86.1Confident89.6Confident8 Ų846.7 Ų46.74%0.03924%0.237CC..  trans-66.9123.8177.6-166.6164-87.800110.1Y18 I54 V63 R64 V78 A82Y18-M58 HydrophobicContact CD1-CE 4.49Å; Y18-M58 HydrophobicContact CE1-CE 3.67Å; Y18-M58 HydrophobicContact CE1-CG 4.28Å; Y18-M58 WeakPolarHBondContact OH-CG 3.11Å; I54-M58 HydrophobicContact CG2-CE 3.48Å; I54-M58 VanDerWaalsContact CG2-CE 3.48Å; I54-M58 WeakPolarHBondContact O-CA 3.44Å; I54-M58 VanDerWaalsContact O-CB 3.23Å; I54-M58 WeakPolarHBondContact O-CB 3.42Å; I54-M58 PolarHBondContact O-N 3.24Å; M58-V63 HydrophobicContact CE-CB 4.33Å; M58-V63 HydrophobicContact CE-CG1 3.5Å; M58-V63 VanDerWaalsContact CE-CG1 3.5Å; M58-V63 HydrophobicContact CG-CB 4.38Å; M58-V63 HydrophobicContact CG-CG1 4.5Å; M58-V63 HydrophobicContact SD-CB 3.39Å; M58-V63 WeakPolarHBondContact SD-CB 3.24Å; M58-V63 HydrophobicContact SD-CG1 3.2Å; M58-V63 WeakPolarHBondContact SD-CG1 3.42Å; M58-R64 HydrophobicContact CB-CB 4.21Å; M58-R64 HydrophobicContact CG-CB 4.34Å; M58-R64 VanDerWaalsContact SD-CA 3.58Å; M58-R64 HydrophobicContact SD-CB 3.9Å; M58-R64 PolarHBondContact SD-N 2.88Å; M58-V78 HydrophobicContact CE-CG1 4.23Å; M58-A82 HydrophobicContact CE-CB 4.38Å
59P84.5Confident89.5Confident62 Ų6248.4 Ų48.440%0.40325%0.249SC..SBendtrans-70.3-38.7176.727-32.2000111.1L12 E61L12-P59 HydrophobicContact CB-CG 4.24Å; L12-P59 HydrophobicContact CD2-CG 3.95Å; P59-E61 PolarHBondContact O-N 3.14Å
60D84.3Confident89.2Confident43 Ų4349.5 Ų49.523%0.2325%0.252CS..  trans-75.4114.8-178-168.2-74.3000112.2Q62 V63 R64 H85D60-Q62 PolarHBondContact O-N 3.46Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; D60-Q62 VanDerWaalsContact OD1-CB 3.31Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.23Å; D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 WeakPolarHBondContact OD1-CG2 3.48Å; D60-V63 PolarHBondContact OD1-N 2.96Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.99Å; D60-R64 VanDerWaalsContact O-N 3.09Å; D60-H85 IonicContact OD1-CE1 2.79Å; D60-H85 IonicContact OD2-CD2 3.86Å; D60-H85 IonicContact OD2-CE1 3.52Å; D60-H85 PolarHBondContact OD2-CE1 2.92Å; D60-H85 VanDerWaalsContact OD2-CE1 3.29Å; D60-H85 IonicContact OD2-NE2 3Å; D60-H85 PolarHBondContact OD2-NE2 3.5Å
61E84.6Confident88.8Confident119 Ų11956.2 Ų56.256%0.55630%0.295SS*.Hα-helixtrans-65.9-35.9179.7-179.8164.6-151.800112.9P59 R64 L65P59-E61 PolarHBondContact O-N 3.14Å; E61-R64 PolarHBondContact O-N 3.41Å; E61-R64 IonicContact OE1-NH2 3.34Å; E61-L65 HydrophobicContact CG-CD1 3.91Å; E61-L65 HydrophobicContact CG-CG 4.19Å; E61-L65 WeakPolarHBondContact O-CB 3.46Å; E61-L65 VanDerWaalsContact O-CG 3.26Å; E61-L65 WeakPolarHBondContact O-CG 3.26Å; E61-L65 PolarHBondContact O-N 3.02Å
62Q82.1Confident88.5Confident70 Ų7060.2 Ų60.233%0.32732%0.319SS..Hα-helixtrans-68.4-44-178.7-62.3-176.7-21.900111.2D60 R64 L65 A66 A233D60-Q62 PolarHBondContact O-N 3.46Å; D60-Q62 WeakPolarHBondContact OD1-CA 3.32Å; D60-Q62 VanDerWaalsContact OD1-CB 3.31Å; D60-Q62 WeakPolarHBondContact OD1-CB 3.38Å; D60-Q62 PolarHBondContact OD1-N 3.23Å; Q62-R64 VanDerWaalsContact C-N 3.31Å; Q62-R64 PolarHBondContact O-N 2.89Å; Q62-L65 PolarHBondContact O-N 3.42Å; Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å; Q62-A233 PolarHBondContact NE2-O 3.27Å
63V86.6Confident88.4Confident1 Ų158 Ų581%0.00631%0.308CS..Hα-helixtrans-63-41.5175-175.30000110.1M58 D60 A66 A67 I81 A82 H85M58-V63 HydrophobicContact CE-CB 4.33Å; M58-V63 HydrophobicContact CE-CG1 3.5Å; M58-V63 VanDerWaalsContact CE-CG1 3.5Å; M58-V63 HydrophobicContact CG-CB 4.38Å; M58-V63 HydrophobicContact CG-CG1 4.5Å; M58-V63 HydrophobicContact SD-CB 3.39Å; M58-V63 WeakPolarHBondContact SD-CB 3.24Å; M58-V63 HydrophobicContact SD-CG1 3.2Å; M58-V63 WeakPolarHBondContact SD-CG1 3.42Å; D60-V63 HydrophobicContact CB-CB 4.15Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 WeakPolarHBondContact OD1-CG2 3.48Å; D60-V63 PolarHBondContact OD1-N 2.96Å; V63-A66 PolarHBondContact O-N 2.62Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.16Å; V63-I81 HydrophobicContact CG1-CG2 3.88Å; V63-A82 HydrophobicContact CG1-CB 3.79Å; V63-H85 HydrophobicContact CG2-CB 3.31Å
64R89.3Confident88.4Confident81 Ų8160.3 Ų60.331%0.30632%0.324SS..Hα-helixtrans-63.2-46.7178.6-175.8163.454.294.76.9111.3V55 M58 D60 E61 Q62 A67 L68V55-R64 WeakPolarHBondContact O-CD 3.36Å; V55-R64 WeakPolarHBondContact O-CG 3.33Å; M58-R64 HydrophobicContact CB-CB 4.21Å; M58-R64 HydrophobicContact CG-CB 4.34Å; M58-R64 VanDerWaalsContact SD-CA 3.58Å; M58-R64 HydrophobicContact SD-CB 3.9Å; M58-R64 PolarHBondContact SD-N 2.88Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 2.99Å; D60-R64 VanDerWaalsContact O-N 3.09Å; E61-R64 PolarHBondContact O-N 3.41Å; E61-R64 IonicContact OE1-NH2 3.34Å; Q62-R64 VanDerWaalsContact C-N 3.31Å; Q62-R64 PolarHBondContact O-N 2.89Å; R64-A67 PolarHBondContact O-N 2.82Å; R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 WeakPolarHBondContact O-CB 3.22Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 2.83Å
65L88.6Confident88.5Confident81 Ų8160.8 Ų60.842%0.42433%0.327SS..Hα-helixtrans-62.3-45.8175.5-71.5174.1000111.3E61 Q62 A67 L68 Q69E61-L65 HydrophobicContact CG-CD1 3.91Å; E61-L65 HydrophobicContact CG-CG 4.19Å; E61-L65 WeakPolarHBondContact O-CB 3.46Å; E61-L65 VanDerWaalsContact O-CG 3.26Å; E61-L65 WeakPolarHBondContact O-CG 3.26Å; E61-L65 PolarHBondContact O-N 3.02Å; Q62-L65 PolarHBondContact O-N 3.42Å; L65-A67 VanDerWaalsContact C-N 3.28Å; L65-A67 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-L68 VanDerWaalsContact O-N 3.1Å; L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.39Å
66A87.9Confident88.5Confident16 Ų1663.3 Ų63.313%0.13235%0.349CS..Hα-helixtrans-60.5-36.4178.300000112.8Q62 V63 I81Q62-A66 VanDerWaalsContact O-CB 3.31Å; Q62-A66 WeakPolarHBondContact O-CB 3.34Å; Q62-A66 PolarHBondContact O-N 3Å; V63-A66 PolarHBondContact O-N 2.62Å; A66-I81 HydrophobicContact CB-CG2 3.66Å
67A89.3Confident88.5Confident1 Ų161.8 Ų61.81%0.00834%0.335CS..Hα-helixtrans-67.7-43.7172.600000112.1V55 V63 R64 L65 Q69 R70 V78 I81V55-A67 HydrophobicContact CG2-CB 4.12Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.16Å; R64-A67 PolarHBondContact O-N 2.82Å; L65-A67 VanDerWaalsContact C-N 3.28Å; L65-A67 PolarHBondContact O-N 3.18Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.01Å; A67-R70 PolarHBondContact O-N 3.38Å; A67-R70 VanDerWaalsContact O-N 3.17Å; A67-V78 HydrophobicContact CB-CG1 4.42Å; A67-V78 HydrophobicContact CB-CG2 4.32Å; A67-I81 HydrophobicContact CB-CD1 4.28Å
68L90.5Very high88.6Confident104 Ų10460 Ų6055%0.54533%0.325SS..Hα-helixtrans-69.5-23-179.5-71171.6000114V55 R64 L65 R70V55-L68 HydrophobicContact CG1-CD2 3.77Å; V55-L68 HydrophobicContact CG1-CG 4.07Å; R64-L68 HydrophobicContact CG-CD1 4.08Å; R64-L68 WeakPolarHBondContact O-CB 3.22Å; R64-L68 VanDerWaalsContact O-CG 3.25Å; R64-L68 WeakPolarHBondContact O-CG 3.34Å; R64-L68 PolarHBondContact O-N 2.83Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-L68 VanDerWaalsContact O-N 3.1Å; L68-R70 PolarHBondContact O-N 2.93Å
69Q89.3Confident88.8Confident154 Ų15460.5 Ų60.572%0.7233%0.329SS*.THydrogen-bonded Turntrans-66.8-16.2171.9-69.5-59.1-29.500112.9L65 A67L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.39Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.01Å
70R88.2Confident89Confident41 Ų4161.4 Ų61.416%0.15533%0.328CS..SBendtrans-89130.8173.3-59.5-168-176.5-170.611.1109A67 L68 N72 P73 N229A67-R70 PolarHBondContact O-N 3.38Å; A67-R70 VanDerWaalsContact O-N 3.17Å; L68-R70 PolarHBondContact O-N 2.93Å; R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 PolarHBondContact O-N 2.65Å; R70-P73 HydrophobicContact CB-CB 4.04Å; R70-P73 HydrophobicContact CB-CG 4.32Å; R70-P73 WeakPolarHBondContact O-CD 3.32Å; R70-N229 PolarHBondContact NE-ND2 3.4Å; R70-N229 VanDerWaalsContact NE-ND2 3.17Å
71P85.7Confident89.2Confident141 Ų14159.5 Ų59.592%0.91632%0.318SS*.SBendtrans-66-27.6-173.222.8-33.1000114.3
72N88.6Confident89.3Confident113 Ų11353.8 Ų53.860%0.60429%0.291SS*.SBendtrans-158.873.4175.4-174.327.1000110.3R51 R70R51-N72 PolarHBondContact NH1-OD1 3Å; R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 PolarHBondContact O-N 2.65Å
73P91.4Very high89.6Confident14 Ų1454.1 Ų54.19%0.09129%0.293CS..  trans-66.6146.3-177.529.1-33.9000110.2R51 R70 Q77 V78R51-P73 WeakPolarHBondContact CD-O 3.46Å; R51-P73 PolarHBondContact NH1-O 3.25Å; R70-P73 HydrophobicContact CB-CB 4.04Å; R70-P73 HydrophobicContact CB-CG 4.32Å; R70-P73 WeakPolarHBondContact O-CD 3.32Å; P73-Q77 HydrophobicContact CB-CB 4.2Å; P73-V78 HydrophobicContact CB-CG2 3.81Å; P73-V78 HydrophobicContact CG-CG2 3.86Å
74S93.7Very high89.4Confident54 Ų5456 Ų5638%0.37831%0.309SS..  trans-77.8163.7164.861.50000110.5A76 Q77 V78S74-A76 VanDerWaalsContact C-N 3.27Å; S74-A76 PolarHBondContact O-N 3.17Å; S74-Q77 WeakPolarHBondContact O-CB 3.39Å; S74-Q77 PolarHBondContact O-N 2.68Å; S74-Q77 VanDerWaalsContact O-N 3.09Å; S74-Q77 WeakPolarHBondContact OG-CG 3.23Å; S74-Q77 PolarHBondContact OG-N 2.83Å; S74-Q77 PolarHBondContact OG-OE1 3.03Å; S74-V78 PolarHBondContact O-N 3Å; S74-V78 VanDerWaalsContact O-N 3.07Å
75L93.5Very high89.1Confident13 Ų1353.3 Ų53.37%0.06830%0.299CS..Hα-helixtrans-53.6-46.1173.2176.356.2000111.5V22 R26 D47 I50 R51 I54 Q77 V78 T79V22-L75 HydrophobicContact CG1-CD2 4.46Å; R26-L75 VanDerWaalsContact NH2-CD2 3.28Å; D47-L75 HydrophobicContact CB-CD2 4.02Å; I50-L75 HydrophobicContact CB-CD1 4.38Å; I50-L75 HydrophobicContact CB-CD2 4.09Å; I50-L75 HydrophobicContact CG2-CD1 3.67Å; I50-L75 HydrophobicContact CG2-CD2 3.83Å; I50-L75 HydrophobicContact CG2-CG 4.44Å; R51-L75 HydrophobicContact CB-CB 4.27Å; R51-L75 HydrophobicContact CB-CD1 4.36Å; I54-L75 HydrophobicContact CD1-CD1 3.72Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.89Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-V78 VanDerWaalsContact O-N 3.1Å; L75-T79 PolarHBondContact O-N 3.48Å; L75-T79 PolarHBondContact O-OG1 2.95Å
76A92.4Very high88.8Confident72 Ų7251.2 Ų51.260%0.59529%0.287SS*.Hα-helixtrans-57.5-38.9177.400000112.9S74 E80S74-A76 VanDerWaalsContact C-N 3.27Å; S74-A76 PolarHBondContact O-N 3.17Å; A76-E80 WeakPolarHBondContact O-CB 3.3Å; A76-E80 PolarHBondContact O-N 3.39Å
77Q91.5Very high88.3Confident71 Ų7156 Ų5633%0.33231%0.31SS..Hα-helixtrans-69.6-37.6177.1-73.6172.7-49.400112.6P73 S74 L75 I81P73-Q77 HydrophobicContact CB-CB 4.2Å; S74-Q77 WeakPolarHBondContact O-CB 3.39Å; S74-Q77 PolarHBondContact O-N 2.68Å; S74-Q77 VanDerWaalsContact O-N 3.09Å; S74-Q77 WeakPolarHBondContact OG-CG 3.23Å; S74-Q77 PolarHBondContact OG-N 2.83Å; S74-Q77 PolarHBondContact OG-OE1 3.03Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 2.89Å; Q77-I81 WeakPolarHBondContact O-CD1 3.34Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 3.01Å
78V91.7Very high87.6Confident0 Ų057.6 Ų57.60%032%0.322CS..Hα-helixtrans-68.6-43.3175.9177.80000110.4R51 I54 V55 M58 A67 P73 S74 L75 E80 I81 A82R51-V78 HydrophobicContact CG-CG2 3.79Å; I54-V78 HydrophobicContact CB-CG1 4.5Å; I54-V78 HydrophobicContact CG2-CG1 3.63Å; V55-V78 HydrophobicContact CG2-CG1 3.91Å; V55-V78 HydrophobicContact CG2-CG2 3.95Å; M58-V78 HydrophobicContact CE-CG1 4.23Å; A67-V78 HydrophobicContact CB-CG1 4.42Å; A67-V78 HydrophobicContact CB-CG2 4.32Å; P73-V78 HydrophobicContact CB-CG2 3.81Å; P73-V78 HydrophobicContact CG-CG2 3.86Å; S74-V78 PolarHBondContact O-N 3Å; S74-V78 VanDerWaalsContact O-N 3.07Å; L75-V78 PolarHBondContact O-N 3.13Å; L75-V78 VanDerWaalsContact O-N 3.1Å; V78-E80 PolarHBondContact O-N 3.45Å; V78-I81 PolarHBondContact O-N 3.27Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.41Å
79T91.3Very high86.8Confident19 Ų1955.8 Ų55.812%0.11732%0.316CS..Hα-helixtrans-61.5-42.4176-51.70000111.4L75 I81 A82 E83L75-T79 PolarHBondContact O-N 3.48Å; L75-T79 PolarHBondContact O-OG1 2.95Å; T79-I81 VanDerWaalsContact C-N 3.34Å; T79-I81 PolarHBondContact O-N 3.26Å; T79-A82 PolarHBondContact O-N 3.09Å; T79-E83 HydrophobicContact CG2-CG 4.17Å; T79-E83 WeakPolarHBondContact CG2-OE1 3.18Å; T79-E83 WeakPolarHBondContact O-CB 3.34Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.94Å
80E89.4Confident86Confident81 Ų8154.9 Ų54.938%0.37931%0.309SS..Hα-helixtrans-59.6-41.2175.3-174.3-171.5-164.600112.4A76 V78 A82 A84 K223A76-E80 WeakPolarHBondContact O-CB 3.3Å; A76-E80 PolarHBondContact O-N 3.39Å; V78-E80 PolarHBondContact O-N 3.45Å; E80-A82 VanDerWaalsContact C-N 3.35Å; E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.13Å; E80-K223 IonicContact OE1-NZ 2.62Å; E80-K223 PolarHBondContact OE1-NZ 3.13Å; E80-K223 IonicContact OE2-NZ 3.63Å
81I87.4Confident85Confident3 Ų355.1 Ų55.12%0.01532%0.32CS..Hα-helixtrans-64.6-42.8176.9-66.8166000110.3V63 A66 A67 Q77 V78 T79 H85 N230V63-I81 HydrophobicContact CG1-CG2 3.88Å; A66-I81 HydrophobicContact CB-CG2 3.66Å; A67-I81 HydrophobicContact CB-CD1 4.28Å; Q77-I81 WeakPolarHBondContact O-CD1 3.34Å; Q77-I81 WeakPolarHBondContact O-CG1 3.36Å; Q77-I81 PolarHBondContact O-N 3.01Å; V78-I81 PolarHBondContact O-N 3.27Å; T79-I81 VanDerWaalsContact C-N 3.34Å; T79-I81 PolarHBondContact O-N 3.26Å; I81-H85 PolarHBondContact O-N 3.42Å; I81-H85 VanDerWaalsContact O-N 3.13Å; I81-N230 WeakPolarHBondContact CG2-OD1 3.15Å; I81-N230 PolarHBondContact O-ND2 3.09Å
82A87.7Confident83.9Confident0 Ų050.4 Ų50.40%029%0.286CS..Hα-helixtrans-69.9-45.6-17800000112.4Y18 M58 V63 V78 T79 E80 H85 E86Y18-A82 HydrophobicContact CD1-CB 3.67Å; Y18-A82 HydrophobicContact CD2-CB 3.52Å; Y18-A82 HydrophobicContact CE1-CB 3.9Å; Y18-A82 HydrophobicContact CE2-CB 3.8Å; Y18-A82 HydrophobicContact CG-CB 3.5Å; M58-A82 HydrophobicContact CE-CB 4.38Å; V63-A82 HydrophobicContact CG1-CB 3.79Å; V78-A82 WeakPolarHBondContact O-CB 3.36Å; V78-A82 PolarHBondContact O-N 3.41Å; T79-A82 PolarHBondContact O-N 3.09Å; E80-A82 VanDerWaalsContact C-N 3.35Å; A82-H85 PolarHBondContact O-N 3.46Å; A82-E86 PolarHBondContact O-N 3.29Å
83E87Confident82.6Confident77 Ų7748.1 Ų48.136%0.3628%0.279SS..Hα-helixtrans-62.1-42.9174.8-72.5173.4176.200111.6T79 H85 E86 I87T79-E83 HydrophobicContact CG2-CG 4.17Å; T79-E83 WeakPolarHBondContact CG2-OE1 3.18Å; T79-E83 WeakPolarHBondContact O-CB 3.34Å; T79-E83 WeakPolarHBondContact O-CG 3.49Å; T79-E83 PolarHBondContact O-N 2.94Å; E83-H85 PolarHBondContact O-N 3.46Å; E83-E86 PolarHBondContact O-N 3.15Å; E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.06Å; E83-I87 PolarHBondContact O-N 3.16Å
84A83.4Confident80.9Confident41 Ų4150.5 Ų50.534%0.33929%0.294SS..Hα-helixtrans-61.8-34.8176.400000112E80 A88 N230E80-A84 WeakPolarHBondContact O-CB 3.36Å; E80-A84 PolarHBondContact O-N 3.13Å; A84-A88 WeakPolarHBondContact O-CB 3.48Å; A84-A88 PolarHBondContact O-N 3.28Å; A84-A88 VanDerWaalsContact O-N 3.09Å; A84-N230 WeakPolarHBondContact CB-ND2 3.35Å
85H82.5Confident78.9Confident23 Ų2353.9 Ų53.911%0.10631%0.307CS..Hα-helixtrans-72.2-44.7174.1-178.396.5000111.9D60 V63 I81 A82 E83 I87 A88 T89D60-H85 IonicContact OD1-CE1 2.79Å; D60-H85 IonicContact OD2-CD2 3.86Å; D60-H85 IonicContact OD2-CE1 3.52Å; D60-H85 PolarHBondContact OD2-CE1 2.92Å; D60-H85 VanDerWaalsContact OD2-CE1 3.29Å; D60-H85 IonicContact OD2-NE2 3Å; D60-H85 PolarHBondContact OD2-NE2 3.5Å; V63-H85 HydrophobicContact CG2-CB 3.31Å; I81-H85 PolarHBondContact O-N 3.42Å; I81-H85 VanDerWaalsContact O-N 3.13Å; A82-H85 PolarHBondContact O-N 3.46Å; E83-H85 PolarHBondContact O-N 3.46Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 3.46Å; H85-A88 PolarHBondContact O-N 3.24Å; H85-A88 VanDerWaalsContact O-N 3.14Å; H85-T89 PolarHBondContact CD2-OG1 3.37Å; H85-T89 PolarHBondContact NE2-OG1 3.07Å; H85-T89 VanDerWaalsContact NE2-OG1 3.11Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.9Å; H85-T89 PolarHBondContact O-OG1 2.92Å; H85-T89 VanDerWaalsContact O-OG1 3.07Å
86E82.4Confident76.6Confident37 Ų3762 Ų6217%0.17334%0.341CS..Hα-helixtrans-55.4-44.2174.6-76.1-175.1163.800112.2A17 Y18 A82 E83 T89 K90A17-E86 WeakPolarHBondContact CA-OE1 3.19Å; Y18-E86 HydrophobicContact CD2-CG 3.7Å; Y18-E86 WeakPolarHBondContact CD2-OE1 3.27Å; Y18-E86 HydrophobicContact CE2-CG 4.03Å; Y18-E86 PolarHBondContact N-OE1 3.45Å; A82-E86 PolarHBondContact O-N 3.29Å; E83-E86 PolarHBondContact O-N 3.15Å; E86-T89 PolarHBondContact O-N 2.89Å; E86-K90 WeakPolarHBondContact O-CB 3.41Å; E86-K90 WeakPolarHBondContact O-CG 3.26Å; E86-K90 PolarHBondContact O-N 3.45Å
87I77.7Confident74Confident118 Ų11865.7 Ų65.761%0.60535%0.346SS*.Hα-helixtrans-63.7-45.5177.5-67165.3000110.3E83 H85 K90 A91E83-I87 VanDerWaalsContact O-CG1 3.26Å; E83-I87 WeakPolarHBondContact O-CG1 3.06Å; E83-I87 PolarHBondContact O-N 3.16Å; H85-I87 VanDerWaalsContact C-N 3.29Å; H85-I87 PolarHBondContact O-N 3.46Å; I87-K90 PolarHBondContact O-N 2.91Å; I87-A91 VanDerWaalsContact O-CB 3.32Å; I87-A91 WeakPolarHBondContact O-CB 3.46Å; I87-A91 PolarHBondContact O-N 2.97Å
88A75.1Confident71.4Confident33 Ų3373.1 Ų73.127%0.27337%0.371SS..Hα-helixtrans-61.8-46178.700000111.5A84 H85 A91 M92A84-A88 WeakPolarHBondContact O-CB 3.48Å; A84-A88 PolarHBondContact O-N 3.28Å; A84-A88 VanDerWaalsContact O-N 3.09Å; H85-A88 PolarHBondContact O-N 3.24Å; H85-A88 VanDerWaalsContact O-N 3.14Å; A88-A91 PolarHBondContact O-N 3.25Å; A88-M92 HydrophobicContact CB-CE 3.77Å; A88-M92 WeakPolarHBondContact O-CB 3.47Å; A88-M92 WeakPolarHBondContact O-CE 3.37Å; A88-M92 VanDerWaalsContact O-CG 3.22Å; A88-M92 WeakPolarHBondContact O-CG 3.29Å; A88-M92 PolarHBondContact O-N 2.83Å
89T73.6Confident68.9Low66 Ų6677.4 Ų77.441%0.40540%0.399SS..Hα-helixtrans-65.7-41.1-179.6-590000111.6H85 E86 M92 S93H85-T89 PolarHBondContact CD2-OG1 3.37Å; H85-T89 PolarHBondContact NE2-OG1 3.07Å; H85-T89 VanDerWaalsContact NE2-OG1 3.11Å; H85-T89 WeakPolarHBondContact O-CB 3.48Å; H85-T89 PolarHBondContact O-N 2.9Å; H85-T89 PolarHBondContact O-OG1 2.92Å; H85-T89 VanDerWaalsContact O-OG1 3.07Å; E86-T89 PolarHBondContact O-N 2.89Å; T89-M92 PolarHBondContact O-N 3.49Å; T89-S93 PolarHBondContact O-N 3.19Å
90K72.8Confident66.2Low135 Ų13582 Ų8259%0.58743%0.429SS*.Hα-helixtrans-62.2-49.2172.6-75.9175.8-178.6173.90111.4E86 I87 M92 S93 T94E86-K90 WeakPolarHBondContact O-CB 3.41Å; E86-K90 WeakPolarHBondContact O-CG 3.26Å; E86-K90 PolarHBondContact O-N 3.45Å; I87-K90 PolarHBondContact O-N 2.91Å; K90-M92 VanDerWaalsContact C-N 3.3Å; K90-M92 PolarHBondContact O-N 3.27Å; K90-S93 WeakPolarHBondContact O-CB 3.49Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.08Å; K90-S93 PolarHBondContact O-OG 3Å; K90-T94 PolarHBondContact O-N 2.97Å; K90-T94 PolarHBondContact O-OG1 3.19Å; K90-T94 VanDerWaalsContact O-OG1 3.12Å
91A66.1Low63.7Low47 Ų4786.6 Ų86.639%0.38845%0.45SS..Hα-helixtrans-59.2-40.417800000112.3I87 A88 S93 T94 I95I87-A91 VanDerWaalsContact O-CB 3.32Å; I87-A91 WeakPolarHBondContact O-CB 3.46Å; I87-A91 PolarHBondContact O-N 2.97Å; A88-A91 PolarHBondContact O-N 3.25Å; A91-S93 PolarHBondContact O-N 2.88Å; A91-T94 PolarHBondContact O-N 3.11Å; A91-I95 VanDerWaalsContact O-CG1 3.29Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 3.43Å
92M63Low61.3Low41 Ų4188.7 Ų88.720%0.20246%0.463CS..Hα-helixtrans-63-40.2174.7-72.5178.4-12900112.5A88 T89 K90 T94 I95 K96 L234 L237A88-M92 HydrophobicContact CB-CE 3.77Å; A88-M92 WeakPolarHBondContact O-CB 3.47Å; A88-M92 WeakPolarHBondContact O-CE 3.37Å; A88-M92 VanDerWaalsContact O-CG 3.22Å; A88-M92 WeakPolarHBondContact O-CG 3.29Å; A88-M92 PolarHBondContact O-N 2.83Å; T89-M92 PolarHBondContact O-N 3.49Å; K90-M92 VanDerWaalsContact C-N 3.3Å; K90-M92 PolarHBondContact O-N 3.27Å; M92-T94 VanDerWaalsContact C-N 3.29Å; M92-T94 PolarHBondContact O-N 3Å; M92-I95 PolarHBondContact O-N 2.97Å; M92-K96 PolarHBondContact O-N 3.4Å; M92-L234 HydrophobicContact CE-CD1 4.14Å; M92-L234 HydrophobicContact CE-CD2 3.13Å; M92-L234 HydrophobicContact CE-CG 3.56Å; M92-L234 HydrophobicContact CG-CD2 3.95Å; M92-L234 HydrophobicContact SD-CD2 3.29Å; M92-L234 WeakPolarHBondContact SD-CD2 3.37Å; M92-L234 HydrophobicContact SD-CG 4.35Å; M92-L237 HydrophobicContact SD-CD1 3.61Å
93S61.5Low58.6Low65 Ų6594.1 Ų94.146%0.45549%0.49SS..Hα-helixtrans-63.5-36.7176.476.90000112T89 K90 A91T89-S93 PolarHBondContact O-N 3.19Å; K90-S93 WeakPolarHBondContact O-CB 3.49Å; K90-S93 PolarHBondContact O-N 3.13Å; K90-S93 VanDerWaalsContact O-N 3.08Å; K90-S93 PolarHBondContact O-OG 3Å; A91-S93 PolarHBondContact O-N 2.88Å
94T55.3Low56.1Low65 Ų6590.7 Ų90.740%0.39948%0.475SS..Hα-helixtrans-68.5-40.5174.2-47.60000111.5K90 A91 M92 K96 Q97K90-T94 PolarHBondContact O-N 2.97Å; K90-T94 PolarHBondContact O-OG1 3.19Å; K90-T94 VanDerWaalsContact O-OG1 3.12Å; A91-T94 PolarHBondContact O-N 3.11Å; M92-T94 VanDerWaalsContact C-N 3.29Å; M92-T94 PolarHBondContact O-N 3Å; T94-K96 VanDerWaalsContact C-N 3.34Å; T94-K96 PolarHBondContact O-N 3.39Å; T94-Q97 WeakPolarHBondContact O-CB 3.23Å; T94-Q97 PolarHBondContact O-N 3.29Å; T94-Q97 VanDerWaalsContact O-N 3.14Å
95I52.3Low53.6Low125 Ų12593.4 Ų93.464%0.64148%0.481SS*.Hα-helixtrans-66.8-33.1178.3-67.4163.2000112.2A91 M92 Q97A91-I95 VanDerWaalsContact O-CG1 3.29Å; A91-I95 WeakPolarHBondContact O-CG1 3.37Å; A91-I95 PolarHBondContact O-N 3.43Å; M92-I95 PolarHBondContact O-N 2.97Å; I95-Q97 PolarHBondContact O-N 3.22Å
96K43.8Very low51.3Low184 Ų18493.6 Ų93.680%0.848%0.484SS*.Hα-helixtrans-64.5-21.2174.8-78.4-173.2178.3-1760112.6M92 T94 R98M92-K96 PolarHBondContact O-N 3.4Å; T94-K96 VanDerWaalsContact C-N 3.34Å; T94-K96 PolarHBondContact O-N 3.39Å; K96-R98 PolarHBondContact O-N 3.17Å
97Q39Very low48.8Very low148 Ų14896.7 Ų96.769%0.69250%0.498SS*.SBendtrans-74.7113.3169-59.1-173.93.300108.2T94 I95 P99T94-Q97 WeakPolarHBondContact O-CB 3.23Å; T94-Q97 PolarHBondContact O-N 3.29Å; T94-Q97 VanDerWaalsContact O-N 3.14Å; I95-Q97 PolarHBondContact O-N 3.22Å; Q97-P99 WeakPolarHBondContact O-CD 3.25Å; Q97-P99 VanDerWaalsContact O-N 3.08Å
98R36.5Very low46.6Very low228 Ų22895.5 Ų95.586%0.8649%0.49SS*.  trans-43.7113.4-173.8-158.4-179.6-163-176.92.1110.8K96K96-R98 PolarHBondContact O-N 3.17Å
99P38.8Very low44.4Very low90 Ų90104.4 Ų104.458%0.58452%0.516SS*.  trans-65.9151.5174.57.5-2.3000109.9Q97 E101Q97-P99 WeakPolarHBondContact O-CD 3.25Å; Q97-P99 VanDerWaalsContact O-N 3.08Å; P99-E101 PolarHBondContact O-N 2.8Å
100P35.5Very low42.3Very low116 Ų116108.3 Ų108.375%0.75353%0.534SS*.  trans-54.9136.1171.822.1-30.7000109.9V102P100-V102 PolarHBondContact O-N 3.26Å; P100-V102 VanDerWaalsContact O-N 3.11Å
101E36Very low40.4Very low176 Ų176103.9 Ų103.982%0.82253%0.527SS*.  trans-48.2114.3-176.2-72175.9154.900111.9P99P99-E101 PolarHBondContact O-N 2.8Å
102V38Very low38.6Very low47 Ų47109.8 Ų109.829%0.28555%0.552SS.*  trans-95.3109.9172.2-1760000108.4P100 L166P100-V102 PolarHBondContact O-N 3.26Å; P100-V102 VanDerWaalsContact O-N 3.11Å; V102-L166 HydrophobicContact CB-CD1 4.12Å; V102-L166 HydrophobicContact CG1-CD1 3.74Å; V102-L166 HydrophobicContact CG2-CD1 3.49Å; V102-L166 VanDerWaalsContact CG2-CD1 3.49Å
103M31Very low36.9Very low114 Ų114111.4 Ų111.456%0.56258%0.579SS**  trans-98.8106.7176.1-74.1-103.580.300110.3
104A34.5Very low35.2Very low5 Ų5117.6 Ų117.64%0.04160%0.601CS.*BIsolated β-bridgetrans-88.7115.9172.200000111.4L129 V164A104-L129 HydrophobicContact CB-CD2 4.45Å; A104-V164 HydrophobicContact CB-CG1 4.32Å
105E30.5Very low33.8Very low98 Ų98120.6 Ų120.646%0.45861%0.614SS.*  trans-100.1110.4173.7-169.8-175.8-177.100111R163 I165E105-R163 CarbonylContact C-O 3.56Å; E105-R163 VanDerWaalsContact C-O 3.29Å; E105-R163 CarbonylContact O-C 3.6Å; E105-R163 VanDerWaalsContact O-C 3.24Å; E105-R163 WeakPolarHBondContact O-CB 3.09Å; E105-I165 HydrophobicContact CB-CD1 3.79Å; E105-I165 HydrophobicContact CB-CG1 4.41Å; E105-I165 WeakPolarHBondContact OE2-CD1 3.36Å
106V33.2Very low32.5Very low28 Ų28117.4 Ų117.417%0.1760%0.603CS.*  trans-88122.8-170.8-178.70000113.5L129 L136 V162V106-L129 HydrophobicContact CG2-CD2 4.32Å; V106-L136 HydrophobicContact CB-CD2 3.63Å; V106-L136 HydrophobicContact CG1-CD1 4.31Å; V106-L136 HydrophobicContact CG1-CD2 3.66Å; V106-L136 HydrophobicContact CG1-CG 4.48Å; V106-L136 HydrophobicContact CG2-CD1 4.03Å; V106-L136 HydrophobicContact CG2-CD2 3.82Å; V106-V162 HydrophobicContact CB-CB 4.28Å; V106-V162 HydrophobicContact CB-CG1 4.32Å; V106-V162 HydrophobicContact CG1-CB 3.72Å; V106-V162 HydrophobicContact CG1-CG1 3.44Å; V106-V162 VanDerWaalsContact CG1-CG1 3.44Å; V106-V162 HydrophobicContact CG2-CB 3.94Å; V106-V162 HydrophobicContact CG2-CG1 3.99Å
107Q31.5Very low31.9Very low101 Ų101112 Ų11247%0.47259%0.585SS.*  trans-130.2123167.7-76.6172-29.300110.8R163Q107-R163 HydrophobicContact CB-CB 4.36Å
108Q30.8Very low31.8Very low94 Ų94105 Ų10544%0.43955%0.553SS.*  trans-87.7131.5-171.9-163.2-177.639.100112.7
109R29.9Very low32.4Very low219 Ų21994.7 Ų94.783%0.82652%0.515SS*.  trans-132140.2163-111.3-178.6168.6147.5-2.3111.3R140R109-R140 PolarHBondContact O-NH2 2.79Å
110L28.5Very low33Very low148 Ų14891.8 Ų91.878%0.77549%0.494SS*.  trans-86.7119.2178.2-76.6143.8000110R140L110-R140 VanDerWaalsContact CD2-NH2 3.32Å; L110-R140 VanDerWaalsContact CG-NH2 3.29Å
111G32.2Very low33.8Very low43 Ų4386.2 Ų86.244%0.44346%0.458SS..  trans-165.8140179.700000109.8
112N28.2Very low34.4Very low171 Ų17178.4 Ų78.491%0.91442%0.421SS*.  trans-100.5116.1-164.323-44.3000108.6
113G28.5Very low34.9Very low75 Ų7580.4 Ų80.477%0.77343%0.426SS*.  trans177.9148.8-177.900000111.1
114E26.4Very low35.8Very low194 Ų19482.4 Ų82.491%0.90743%0.434SS*.  trans-69.5153.6-158.4-67.9167.4140.700116.4
115L24.1Very low36.6Very low128 Ų12883 Ų8367%0.6744%0.438SS*.  trans-25.1122.8176.7-65.2160.9000118.3Q144L115-Q144 HydrophobicContact CD2-CG 3.15Å
116S26.4Very low37.3Very low58 Ų5882.2 Ų82.241%0.40644%0.44SS..  trans-138.6136.2154.2-51.80000107.9G118 D190S116-G118 PolarHBondContact O-N 3.34Å; S116-D190 VanDerWaalsContact CB-OD2 3.27Å; S116-D190 WeakPolarHBondContact CB-OD2 3.15Å
117V30.3Very low37.7Very low71 Ų7185.7 Ų85.743%0.4346%0.464SS..  trans-86.798.2-168.5177.80000110.1L146 L176 D190V117-L146 HydrophobicContact CG1-CD2 3.62Å; V117-L176 HydrophobicContact CB-CD1 4.4Å; V117-L176 HydrophobicContact CG1-CD1 3.75Å; V117-D190 PolarHBondContact N-OD2 3.5Å
118G36.4Very low38.5Very low2 Ų283.5 Ų83.52%0.02146%0.455CS..PPolyproline II helixtrans-73.8171.9-174.600000117.7S116 I120 T174S116-G118 PolarHBondContact O-N 3.34Å; G118-I120 PolarHBondContact O-N 3.35Å; G118-T174 WeakPolarHBondContact CA-O 3.33Å
119I49.3Very low39.5Very low11 Ų1179.4 Ų79.46%0.05644%0.435CS..EExtended strand (participates in β ladder)trans-49.4126.4175.2-69-176.4000110.6V121 L175 L176 N185 L186 M187 W191I119-V121 HydrophobicContact CG2-CG2 3.62Å; I119-L175 HydrophobicContact CB-CD1 3.6Å; I119-L175 HydrophobicContact CG2-CD1 4.03Å; I119-L175 WeakPolarHBondContact O-CD1 3.49Å; I119-L176 CarbonylContact O-C 3.59Å; I119-L176 PolarHBondContact O-N 2.79Å; I119-N185 HydrophobicContact CG2-CB 4.3Å; I119-L186 WeakPolarHBondContact CA-O 3.33Å; I119-M187 HydrophobicContact CD1-CE 4.34Å; I119-M187 HydrophobicContact CG1-CB 4.44Å; I119-M187 HydrophobicContact CG1-CG 4.49Å; I119-W191 HydrophobicContact CB-CH2 4.11Å; I119-W191 HydrophobicContact CB-CZ2 4.08Å; I119-W191 HydrophobicContact CB-CZ3 4.49Å; I119-W191 HydrophobicContact CD1-CD2 3.97Å; I119-W191 HydrophobicContact CD1-CE3 3.32Å; I119-W191 HydrophobicContact CD1-CH2 3.46Å; I119-W191 VanDerWaalsContact CD1-CH2 3.46Å; I119-W191 HydrophobicContact CD1-CZ2 4.12Å; I119-W191 HydrophobicContact CD1-CZ3 3.01Å; I119-W191 HydrophobicContact CG1-CD2 3.7Å; I119-W191 HydrophobicContact CG1-CE3 3.62Å; I119-W191 HydrophobicContact CG1-CG 4.43Å; I119-W191 HydrophobicContact CG1-CH2 3.71Å; I119-W191 HydrophobicContact CG1-CZ2 3.83Å; I119-W191 HydrophobicContact CG1-CZ3 3.61Å
120I51.4Low40.5Very low28 Ų2872.3 Ų72.314%0.14442%0.424CS..EExtended strand (participates in β ladder)trans-78.2120.6169.2-58.5178.6000106.8G118 L146 L176 T178 N185 L186G118-I120 PolarHBondContact O-N 3.35Å; I120-L146 HydrophobicContact CD1-CD1 3.75Å; I120-L146 HydrophobicContact CG1-CD1 3.89Å; I120-L176 WeakPolarHBondContact CA-O 3.42Å; I120-T178 HydrophobicContact CG2-CG2 3.36Å; I120-N185 WeakPolarHBondContact O-CA 3.33Å; I120-N185 WeakPolarHBondContact O-CB 3.42Å; I120-N185 PolarHBondContact O-OD1 3.07Å; I120-L186 HydrophobicContact CD1-CD1 4.34Å; I120-L186 PolarHBondContact N-O 3.33Å; I120-L186 PolarHBondContact O-N 3Å
121V53Low41.7Very low0 Ų072.8 Ų72.80%042%0.415CS..EExtended strand (participates in β ladder)trans-113.1126.4174.9-170.50000110.7I119 L129 P133 L175 L176 N185I119-V121 HydrophobicContact CG2-CG2 3.62Å; V121-L129 HydrophobicContact CB-CD1 4.43Å; V121-L129 HydrophobicContact CG1-CD1 3.81Å; V121-L129 HydrophobicContact CG2-CD1 4.18Å; V121-P133 HydrophobicContact CG1-CG 3.94Å; V121-L175 HydrophobicContact CG2-CD1 3.71Å; V121-L175 HydrophobicContact CG2-CD2 4.22Å; V121-L175 HydrophobicContact CG2-CG 4.25Å; V121-L176 PolarHBondContact N-O 3.28Å; V121-N185 VanDerWaalsContact CA-OD1 3.24Å; V121-N185 WeakPolarHBondContact CA-OD1 3.22Å
122N48.7Very low43Very low11 Ų1176 Ų766%0.05942%0.417CS..  trans-74.3141.7168-178.9-8.7000109.6E124 S125 L180 E181 G183 N185N122-E124 PolarHBondContact O-N 3.21Å; N122-E124 PolarHBondContact OD1-N 3.28Å; N122-S125 WeakPolarHBondContact O-CB 3.33Å; N122-S125 PolarHBondContact O-N 3.17Å; N122-L180 VanDerWaalsContact CG-O 3.25Å; N122-L180 PolarHBondContact OD1-O 2.83Å; N122-E181 PolarHBondContact ND2-O 3.1Å; N122-G183 WeakPolarHBondContact CB-O 3.5Å; N122-G183 PolarHBondContact ND2-N 3.26Å; N122-G183 VanDerWaalsContact ND2-N 3.13Å; N122-G183 PolarHBondContact ND2-O 3.22Å; N122-N185 PolarHBondContact N-OD1 3.09Å; N122-N185 VanDerWaalsContact N-OD1 3.11Å
123K49Very low44.5Very low89 Ų8968 Ų6839%0.38737%0.374SS..THydrogen-bonded Turntrans-47.2-32178.3-75.7-179.8-178.8166.20114S125K123-S125 VanDerWaalsContact C-N 3.35Å
124E49.7Very low46Very low156 Ų15670 Ų7073%0.72936%0.364SS*.THydrogen-bonded Turntrans-84.3-4.9-176.8-59.4-166.9158.900114.5N122 T126N122-E124 PolarHBondContact O-N 3.21Å; N122-E124 PolarHBondContact OD1-N 3.28Å; E124-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact O-N 3.11Å
125S49.8Very low47.8Very low18 Ų1865.5 Ų65.513%0.12635%0.346CS..  trans-83.293.7-173.7-690000113.1N122 K123 N185N122-S125 WeakPolarHBondContact O-CB 3.33Å; N122-S125 PolarHBondContact O-N 3.17Å; K123-S125 VanDerWaalsContact C-N 3.35Å; S125-N185 WeakPolarHBondContact CB-ND2 3.49Å; S125-N185 PolarHBondContact OG-ND2 3.38Å; S125-N185 PolarHBondContact OG-OD1 3.41Å
126T45.2Very low49.6Very low82 Ų8260.3 Ų60.350%0.50332%0.319SS..  trans-81.5-27164.238.30000116.3E124 I128 K132E124-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact O-N 3.11Å; T126-I128 PolarHBondContact O-N 3.45Å; T126-K132 HydrophobicContact CG2-CG 4.01Å
127P42Very low51.4Low101 Ų10158.9 Ų58.966%0.65631%0.313SS*.SBendtrans-76.8-19.4-16725.4-31000114.8
128I49.5Very low53.1Low55 Ų5560.9 Ų60.928%0.28233%0.328SS..SBendtrans-95.6-27.3-177.8-54.4-170000112T126 N185T126-I128 PolarHBondContact O-N 3.45Å; I128-N185 HydrophobicContact CD1-CB 3.58Å; I128-N185 WeakPolarHBondContact CD1-ND2 3.32Å
129L51.7Low54.9Low7 Ų762.5 Ų62.54%0.03733%0.333CS..BIsolated β-bridgetrans-108.2132.8-179.4-63.7176.3000109.4A104 V106 V121 R131 P133 L136A104-L129 HydrophobicContact CB-CD2 4.45Å; V106-L129 HydrophobicContact CG2-CD2 4.32Å; V121-L129 HydrophobicContact CB-CD1 4.43Å; V121-L129 HydrophobicContact CG1-CD1 3.81Å; V121-L129 HydrophobicContact CG2-CD1 4.18Å; L129-R131 WeakPolarHBondContact CB-O 3.44Å; L129-R131 PolarHBondContact O-N 3.48Å; L129-P133 HydrophobicContact CD1-CG 3.95Å; L129-L136 HydrophobicContact CD1-CD1 4.08Å
130A50.1Low56.5Low71 Ų7164.4 Ų64.459%0.58734%0.339SS*.SBendtrans-61.3-12.7173.400000113.8
131R54.5Low57.9Low157 Ų15768.8 Ų68.859%0.59237%0.37SS*.SBendtrans-138.7153179.9-60.5-175.2-176.3-173.80.6109.7L129 D135 L136L129-R131 WeakPolarHBondContact CB-O 3.44Å; L129-R131 PolarHBondContact O-N 3.48Å; R131-D135 HydrophobicContact CB-CB 4.11Å; R131-L136 HydrophobicContact CB-CD2 4.11Å
132K59Low59.1Low112 Ų11270.1 Ų70.149%0.48738%0.378SS..  trans-60.4147172.9-67.4-179.5176-177.20108.7T126 E134 D135T126-K132 HydrophobicContact CG2-CG 4.01Å; K132-E134 PolarHBondContact O-N 3.49Å; K132-D135 WeakPolarHBondContact CB-OD2 3.48Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CB 3.46Å; K132-D135 PolarHBondContact O-N 3.48Å
133P58.6Low60.5Low2 Ų277.6 Ų77.61%0.01342%0.418CS..G310 helixtrans-48.7-40.3175.9-27.233.2000111.6V121 L129 D135 L136 W139 V177V121-P133 HydrophobicContact CG1-CG 3.94Å; L129-P133 HydrophobicContact CD1-CG 3.95Å; P133-D135 PolarHBondContact O-N 2.99Å; P133-L136 VanDerWaalsContact O-CB 3.31Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.89Å; P133-W139 HydrophobicContact CB-CH2 3.82Å; P133-W139 HydrophobicContact CB-CZ2 3.57Å; P133-W139 WeakPolarHBondContact O-CH2 3.43Å; P133-W139 WeakPolarHBondContact O-CZ2 3.38Å; P133-V177 HydrophobicContact CB-CG1 4.49Å
134E61.7Low61.7Low117 Ų11774.7 Ų74.755%0.54741%0.406SS..G310 helixtrans-60.3-28.5-178.8-39.7-158.8-116.800113.7K132 L136K132-E134 PolarHBondContact O-N 3.49Å; E134-L136 VanDerWaalsContact C-N 3.33Å
135D63.9Low62.7Low100 Ų10074.8 Ų74.854%0.53540%0.404SS..G310 helixtrans-84-7.7178.9-55.8-35.6000112.7R131 K132 P133 G137R131-D135 HydrophobicContact CB-CB 4.11Å; K132-D135 WeakPolarHBondContact CB-OD2 3.48Å; K132-D135 PolarHBondContact N-OD2 2.89Å; K132-D135 WeakPolarHBondContact O-CB 3.46Å; K132-D135 PolarHBondContact O-N 3.48Å; P133-D135 PolarHBondContact O-N 2.99Å; D135-G137 PolarHBondContact O-N 3.45Å
136L61.2Low63.7Low19 Ų1974.7 Ų74.710%0.09940%0.402CS..G310 helixtrans-77.34.3177.1-60.1-174.3000113V106 L129 R131 P133 E134 W139 L175V106-L136 HydrophobicContact CB-CD2 3.63Å; V106-L136 HydrophobicContact CG1-CD1 4.31Å; V106-L136 HydrophobicContact CG1-CD2 3.66Å; V106-L136 HydrophobicContact CG1-CG 4.48Å; V106-L136 HydrophobicContact CG2-CD1 4.03Å; V106-L136 HydrophobicContact CG2-CD2 3.82Å; L129-L136 HydrophobicContact CD1-CD1 4.08Å; R131-L136 HydrophobicContact CB-CD2 4.11Å; P133-L136 VanDerWaalsContact O-CB 3.31Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.89Å; E134-L136 VanDerWaalsContact C-N 3.33Å; L136-W139 HydrophobicContact CB-CH2 3.75Å; L136-W139 HydrophobicContact CB-CZ3 3.98Å; L136-W139 HydrophobicContact CD1-CH2 3.9Å; L136-W139 HydrophobicContact CD1-CZ3 4.24Å; L136-W139 HydrophobicContact CG-CH2 4.23Å; L136-L175 HydrophobicContact CD1-CD2 4.06Å
137G63.5Low64.7Low28 Ų2876.9 Ų76.929%0.28941%0.405SS..  trans86.8-179.2177.500000112.9D135 W139D135-G137 PolarHBondContact O-N 3.45Å; G137-W139 PolarHBondContact O-N 3.14Å
138P66.1Low65.6Low113 Ų11374.1 Ų74.173%0.73439%0.391SS*.SBendtrans-62.1123.7179.325.3-32.3000110.1
139W75.3Confident65.7Low35 Ų3576.2 Ų76.213%0.13340%0.395CS..PPolyproline II helixtrans-63.1141.3174.7-50104.9000110.3P133 L136 G137 A160 L175 V177P133-W139 HydrophobicContact CB-CH2 3.82Å; P133-W139 HydrophobicContact CB-CZ2 3.57Å; P133-W139 WeakPolarHBondContact O-CH2 3.43Å; P133-W139 WeakPolarHBondContact O-CZ2 3.38Å; L136-W139 HydrophobicContact CB-CH2 3.75Å; L136-W139 HydrophobicContact CB-CZ3 3.98Å; L136-W139 HydrophobicContact CD1-CH2 3.9Å; L136-W139 HydrophobicContact CD1-CZ3 4.24Å; L136-W139 HydrophobicContact CG-CH2 4.23Å; G137-W139 PolarHBondContact O-N 3.14Å; W139-A160 HydrophobicContact CE3-CB 3.82Å; W139-A160 HydrophobicContact CZ3-CB 3.76Å; W139-L175 HydrophobicContact CZ3-CD2 4.41Å; W139-V177 HydrophobicContact CD2-CB 4.31Å; W139-V177 HydrophobicContact CD2-CG2 4.18Å; W139-V177 HydrophobicContact CE3-CB 4.36Å; W139-V177 HydrophobicContact CE3-CG2 3.78Å; W139-V177 HydrophobicContact CH2-CB 4.3Å; W139-V177 HydrophobicContact CH2-CG1 4.39Å; W139-V177 HydrophobicContact CH2-CG2 3.41Å; W139-V177 VanDerWaalsContact CH2-CG2 3.41Å; W139-V177 HydrophobicContact CZ2-CB 4.19Å; W139-V177 HydrophobicContact CZ2-CG1 3.92Å; W139-V177 HydrophobicContact CZ2-CG2 3.79Å; W139-V177 HydrophobicContact CZ3-CB 4.39Å; W139-V177 HydrophobicContact CZ3-CG2 3.41Å; W139-V177 VanDerWaalsContact CZ3-CG2 3.41Å
140R82.7Confident65.8Low51 Ų5179 Ų7919%0.19243%0.427CS..BIsolated β-bridgetrans-73.2136.2168.8-62.5-170.5-164.6152.821.5108.6R109 L110 G158 Q159R109-R140 PolarHBondContact O-NH2 2.79Å; L110-R140 VanDerWaalsContact CD2-NH2 3.32Å; L110-R140 VanDerWaalsContact CG-NH2 3.29Å; R140-G158 CarbonylContact O-C 3.57Å; R140-G158 VanDerWaalsContact O-CA 3.28Å; R140-G158 WeakPolarHBondContact O-CA 3.26Å; R140-Q159 HydrophobicContact CB-CG 4.13Å; R140-Q159 PolarHBondContact N-O 3.1Å; R140-Q159 PolarHBondContact O-N 3.23Å
141P81.2Confident66.3Low120 Ų12078.1 Ų78.178%0.77942%0.424SS*.PPolyproline II helixtrans-59.3146.6170.925.9-32.8000109.4
142T78.3Confident66.5Low29 Ų2976.2 Ų76.218%0.17842%0.424CS..  trans-134.3136.5179.9-171.70000109.6Q144 L156 Q159T142-Q144 HydrophobicContact CG2-CB 4.34Å; T142-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T142-Q144 VanDerWaalsContact OG1-CG 3.28Å; T142-Q144 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q144 PolarHBondContact OG1-N 3.28Å; T142-L156 HydrophobicContact CG2-CB 4.18Å; T142-L156 HydrophobicContact CG2-CD1 3.72Å; T142-Q159 PolarHBondContact OG1-OE1 2.79Å
143N78.5Confident67.1Low168 Ų16874.7 Ų74.790%0.89842%0.424SS*.  trans-88.55.6172.8-66.4-20.6000111.5
144Q73.7Confident67.8Low28 Ų2875.1 Ų75.113%0.13143%0.427CS..  trans-61.8139.4174.8-71.5-169.74800110.2L115 T142 L156 Q159L115-Q144 HydrophobicContact CD2-CG 3.15Å; T142-Q144 HydrophobicContact CG2-CB 4.34Å; T142-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T142-Q144 VanDerWaalsContact OG1-CG 3.28Å; T142-Q144 WeakPolarHBondContact OG1-CG 3.39Å; T142-Q144 PolarHBondContact OG1-N 3.28Å; Q144-L156 HydrophobicContact CB-CD1 4.03Å; Q144-L156 WeakPolarHBondContact O-CD1 3.2Å; Q144-Q159 VanDerWaalsContact NE2-OE1 3.13Å
145K71.1Confident68.4Low157 Ų15772.4 Ų72.468%0.68342%0.419SS*.  trans-110.2118.2169.8-66.4-175.3-180-177.30107.6F147K145-F147 HydrophobicContact CB-CE2 3.89Å; K145-F147 HydrophobicContact CB-CZ 4Å; K145-F147 HydrophobicContact CD-CZ 4.38Å
146L69.6Low69.1Low17 Ų1769.6 Ų69.69%0.08940%0.404CS..EExtended strand (participates in β ladder)trans-92.7142.7168.9-76.6-177.7000109.2V117 I120 T153 V154 L156 L176V117-L146 HydrophobicContact CG1-CD2 3.62Å; I120-L146 HydrophobicContact CD1-CD1 3.75Å; I120-L146 HydrophobicContact CG1-CD1 3.89Å; L146-T153 CarbonylContact O-C 3.29Å; L146-T153 WeakPolarHBondContact O-CA 3.38Å; L146-V154 HydrophobicContact CB-CB 3.75Å; L146-V154 HydrophobicContact CB-CG1 4.34Å; L146-V154 HydrophobicContact CB-CG2 4.43Å; L146-V154 HydrophobicContact CD1-CG1 4.45Å; L146-V154 PolarHBondContact O-N 3.29Å; L146-L156 HydrophobicContact CD1-CD1 4.19Å; L146-L156 HydrophobicContact CD1-CD2 3.51Å; L146-L156 HydrophobicContact CD1-CG 4.06Å; L146-L156 HydrophobicContact CG-CD1 4.02Å; L146-L156 HydrophobicContact CG-CD2 4.25Å; L146-L156 HydrophobicContact CG-CG 4.3Å; L146-L176 HydrophobicContact CD1-CB 4.44Å; L146-L176 HydrophobicContact CD1-CD1 4Å; L146-L176 HydrophobicContact CD2-CD1 4.05Å; L146-L176 HydrophobicContact CG-CD1 4.2Å
147F65.7Low70Confident128 Ų12872.6 Ų72.656%0.56142%0.416SS*.EExtended strand (participates in β ladder)trans-120.7124174.5-62.2-81.4000108.2K145 I152K145-F147 HydrophobicContact CB-CE2 3.89Å; K145-F147 HydrophobicContact CB-CZ 4Å; K145-F147 HydrophobicContact CD-CZ 4.38Å; F147-I152 CarbonylContact C-O 3.49Å; F147-I152 VanDerWaalsContact CA-O 3.32Å; F147-I152 WeakPolarHBondContact CA-O 3.41Å
148A62Low70.9Confident43 Ų4371.3 Ų71.336%0.35540%0.403SS..  trans-71.8172.4164.200000109.1G151 I152 V154A148-G151 PolarHBondContact O-N 2.9Å; A148-G151 VanDerWaalsContact O-N 3.17Å; A148-I152 HydrophobicContact CB-CB 4.37Å; A148-I152 PolarHBondContact N-O 2.83Å; A148-V154 HydrophobicContact CB-CG2 3.66Å
149Y51.5Low71.6Confident98 Ų9867.9 Ų67.938%0.38438%0.377SS..G310 helixtrans-53.6144169-177.2-106.8000111.2G151 H228 N230 A231 D232Y149-G151 VanDerWaalsContact C-N 3.32Å; Y149-H228 PolarHBondContact OH-O 3.42Å; Y149-N230 PolarHBondContact OH-N 3.41Å; Y149-A231 VanDerWaalsContact CD1-C 3.44Å; Y149-A231 HydrophobicContact CD1-CB 3.94Å; Y149-A231 WeakPolarHBondContact CD1-O 3.31Å; Y149-A231 HydrophobicContact CD2-CB 3.07Å; Y149-A231 HydrophobicContact CE1-CB 3.95Å; Y149-A231 WeakPolarHBondContact CE1-O 3.36Å; Y149-A231 HydrophobicContact CE2-CB 3.06Å; Y149-A231 HydrophobicContact CG-CB 3.5Å; Y149-A231 PolarHBondContact OH-N 3.46Å; Y149-D232 HydrophobicContact CE1-CB 4.03Å
150G53.3Low71.8Confident67 Ų6766.4 Ų66.469%0.69137%0.372SS*.G310 helixtrans80.84.3-174.200000115.1I152G150-I152 PolarHBondContact O-N 3.24Å
151G60.6Low71.6Confident51 Ų5165.9 Ų65.953%0.52637%0.374SS..G310 helixtrans7710.4178.200000114A148 Y149 T153A148-G151 PolarHBondContact O-N 2.9Å; A148-G151 VanDerWaalsContact O-N 3.17Å; Y149-G151 VanDerWaalsContact C-N 3.32Å; G151-T153 PolarHBondContact O-N 3.45Å
152I58.9Low71.2Confident117 Ų11760.2 Ų60.260%0.634%0.337SS*.PPolyproline II helixtrans-65.3126.5173.5-57.5174.5000107.7F147 A148 G150 V154F147-I152 CarbonylContact C-O 3.49Å; F147-I152 VanDerWaalsContact CA-O 3.32Å; F147-I152 WeakPolarHBondContact CA-O 3.41Å; A148-I152 HydrophobicContact CB-CB 4.37Å; A148-I152 PolarHBondContact N-O 2.83Å; G150-I152 PolarHBondContact O-N 3.24Å; I152-V154 PolarHBondContact O-N 3.47Å
153T71.4Confident71Confident81 Ų8162.8 Ų62.850%0.49734%0.343SS..EExtended strand (participates in β ladder)trans-72126.5176.3-57.40000109.2L146 G151L146-T153 CarbonylContact O-C 3.29Å; L146-T153 WeakPolarHBondContact O-CA 3.38Å; G151-T153 PolarHBondContact O-N 3.45Å
154V72.8Confident70.7Confident11 Ų1154.8 Ų54.87%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-82.7121.1174.8171.50000108.3L146 A148 I152 L156 T178 L180L146-V154 HydrophobicContact CB-CB 3.75Å; L146-V154 HydrophobicContact CB-CG1 4.34Å; L146-V154 HydrophobicContact CB-CG2 4.43Å; L146-V154 HydrophobicContact CD1-CG1 4.45Å; L146-V154 PolarHBondContact O-N 3.29Å; A148-V154 HydrophobicContact CB-CG2 3.66Å; I152-V154 PolarHBondContact O-N 3.47Å; V154-L156 PolarHBondContact O-N 3.1Å; V154-T178 WeakPolarHBondContact CG1-OG1 3.35Å; V154-L180 HydrophobicContact CB-CD1 4.44Å; V154-L180 HydrophobicContact CG1-CD1 3.58Å; V154-L180 HydrophobicContact CG1-CG 4.21Å; V154-L180 HydrophobicContact CG2-CD1 4.18Å
155P74.8Confident70.4Confident59 Ų5955.5 Ų55.538%0.38331%0.305SS..PPolyproline II helixtrans-65.6128.7176.427.6-33.4000109.8T178 D179 L180P155-T178 WeakPolarHBondContact O-CA 3.36Å; P155-T178 VanDerWaalsContact O-CB 3.3Å; P155-T178 WeakPolarHBondContact O-CB 3.46Å; P155-T178 PolarHBondContact O-OG1 3.17Å; P155-D179 VanDerWaalsContact CB-OD1 3.23Å; P155-D179 WeakPolarHBondContact CB-OD1 3.45Å; P155-D179 WeakPolarHBondContact CG-OD1 3.25Å; P155-L180 HydrophobicContact CG-CD2 4.43Å
156L79.7Confident70.1Confident41 Ų4149.8 Ų49.822%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-104.9127.1179-80.3176.8000109.8T142 Q144 L146 V154 L176 V177T142-L156 HydrophobicContact CG2-CB 4.18Å; T142-L156 HydrophobicContact CG2-CD1 3.72Å; Q144-L156 HydrophobicContact CB-CD1 4.03Å; Q144-L156 WeakPolarHBondContact O-CD1 3.2Å; L146-L156 HydrophobicContact CD1-CD1 4.19Å; L146-L156 HydrophobicContact CD1-CD2 3.51Å; L146-L156 HydrophobicContact CD1-CG 4.06Å; L146-L156 HydrophobicContact CG-CD1 4.02Å; L146-L156 HydrophobicContact CG-CD2 4.25Å; L146-L156 HydrophobicContact CG-CG 4.3Å; V154-L156 PolarHBondContact O-N 3.1Å; L156-L176 HydrophobicContact CD2-CB 4.06Å; L156-V177 CarbonylContact C-O 3.48Å; L156-V177 WeakPolarHBondContact CD2-O 3.35Å
157K79Confident70Confident82 Ų8252.2 Ų52.236%0.35731%0.311SS..EExtended strand (participates in β ladder)trans-75.3-29.6170.3-167.4177.3179-179.40111.2V177K157-V177 HydrophobicContact CB-CG1 4.26Å; K157-V177 HydrophobicContact CD-CG1 4.4Å; K157-V177 PolarHBondContact N-O 3.28Å
158G82.1Confident70.4Confident1 Ų155.8 Ų55.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans153.9-161.6175.400000112.6R140 V177R140-G158 CarbonylContact O-C 3.57Å; R140-G158 VanDerWaalsContact O-CA 3.28Å; R140-G158 WeakPolarHBondContact O-CA 3.26Å; G158-V177 PolarHBondContact N-O 2.92Å; G158-V177 PolarHBondContact O-N 3.28Å
159Q82.3Confident70.8Confident42 Ų4257.9 Ų57.920%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-135.7154.2179.571.5-176.326.100112.4R140 T142 Q144 T174 L175 L176R140-Q159 HydrophobicContact CB-CG 4.13Å; R140-Q159 PolarHBondContact N-O 3.1Å; R140-Q159 PolarHBondContact O-N 3.23Å; T142-Q159 PolarHBondContact OG1-OE1 2.79Å; Q144-Q159 VanDerWaalsContact NE2-OE1 3.13Å; Q159-T174 HydrophobicContact CB-CG2 4.26Å; Q159-L175 CarbonylContact C-O 3.57Å; Q159-L175 WeakPolarHBondContact CA-O 3.27Å; Q159-L175 WeakPolarHBondContact CB-O 3.34Å; Q159-L176 HydrophobicContact CB-CD2 3.66Å
160A78.9Confident72Confident3 Ų355.1 Ų55.13%0.02533%0.329CS..EExtended strand (participates in β ladder)trans-137.8145170.900000110.5W139 V162 T174 L175W139-A160 HydrophobicContact CE3-CB 3.82Å; W139-A160 HydrophobicContact CZ3-CB 3.76Å; A160-V162 HydrophobicContact CB-CG1 4.09Å; A160-T174 CarbonylContact O-C 3.53Å; A160-L175 PolarHBondContact N-O 3Å; A160-L175 PolarHBondContact O-N 2.89Å
161N78.2Confident73.2Confident41 Ų4157.3 Ų57.322%0.21932%0.317CS..EExtended strand (participates in β ladder)trans-84.8123.6164.7-72.7-13.1000107.6T174N161-T174 PolarHBondContact OD1-OG1 2.82Å; N161-T174 VanDerWaalsContact OD1-OG1 3.07Å
162V73.5Confident74.1Confident1 Ų160.2 Ų60.21%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-122.3143.7-174.9-57.50000109.8V106 A160 V164 Q172 L173 L175 W191V106-V162 HydrophobicContact CB-CB 4.28Å; V106-V162 HydrophobicContact CB-CG1 4.32Å; V106-V162 HydrophobicContact CG1-CB 3.72Å; V106-V162 HydrophobicContact CG1-CG1 3.44Å; V106-V162 VanDerWaalsContact CG1-CG1 3.44Å; V106-V162 HydrophobicContact CG2-CB 3.94Å; V106-V162 HydrophobicContact CG2-CG1 3.99Å; A160-V162 HydrophobicContact CB-CG1 4.09Å; V162-V164 HydrophobicContact CG2-CG2 3.75Å; V162-Q172 WeakPolarHBondContact O-CA 3.47Å; V162-Q172 PolarHBondContact O-OE1 2.96Å; V162-L173 WeakPolarHBondContact CG2-O 3.49Å; V162-L173 PolarHBondContact N-O 3.2Å; V162-L173 PolarHBondContact O-N 3.42Å; V162-L175 HydrophobicContact CG1-CB 3.78Å; V162-L175 HydrophobicContact CG1-CD2 4.09Å; V162-L175 HydrophobicContact CG2-CB 3.87Å; V162-W191 HydrophobicContact CG2-CH2 3.94Å; V162-W191 HydrophobicContact CG2-CZ2 3.98Å
163R73Confident75Confident82 Ų8255.6 Ų55.631%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-77.4137164.6-173.3178.4-176.5-168.2-6.2107.4E105 Q107 R171 Q172E105-R163 CarbonylContact C-O 3.56Å; E105-R163 VanDerWaalsContact C-O 3.29Å; E105-R163 CarbonylContact O-C 3.6Å; E105-R163 VanDerWaalsContact O-C 3.24Å; E105-R163 WeakPolarHBondContact O-CB 3.09Å; Q107-R163 HydrophobicContact CB-CB 4.36Å; R163-R171 CarbonylContact C-O 3.58Å; R163-R171 WeakPolarHBondContact CA-O 3.37Å; R163-Q172 VanDerWaalsContact CB-NE2 3.34Å
164V72.6Confident75.3Confident1 Ų153 Ų531%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-129.3132.2-177.7-173.10000106.8A104 V162 A170 R171 L173 W191 F195A104-V164 HydrophobicContact CB-CG1 4.32Å; V162-V164 HydrophobicContact CG2-CG2 3.75Å; V164-A170 CarbonylContact O-C 3.54Å; V164-A170 VanDerWaalsContact O-CA 3.3Å; V164-A170 WeakPolarHBondContact O-CA 2.87Å; V164-R171 PolarHBondContact N-O 2.88Å; V164-R171 PolarHBondContact O-N 2.94Å; V164-L173 HydrophobicContact CB-CD1 4.2Å; V164-L173 HydrophobicContact CG2-CB 4.02Å; V164-L173 HydrophobicContact CG2-CD1 4.03Å; V164-L173 HydrophobicContact CG2-CG 4.3Å; V164-W191 HydrophobicContact CB-CE3 4.47Å; V164-W191 HydrophobicContact CB-CH2 4.32Å; V164-W191 HydrophobicContact CB-CZ3 3.94Å; V164-W191 HydrophobicContact CG1-CE3 3.84Å; V164-W191 HydrophobicContact CG1-CH2 4.16Å; V164-W191 HydrophobicContact CG1-CZ3 3.35Å; V164-W191 HydrophobicContact CG2-CE3 4.04Å; V164-W191 HydrophobicContact CG2-CH2 3.23Å; V164-W191 HydrophobicContact CG2-CZ2 3.85Å; V164-W191 HydrophobicContact CG2-CZ3 3.32Å; V164-F195 HydrophobicContact CB-CE2 4.07Å; V164-F195 HydrophobicContact CB-CZ 3.78Å; V164-F195 HydrophobicContact CG1-CE2 3.63Å; V164-F195 HydrophobicContact CG1-CZ 3.56Å
165I68.4Low75.6Confident42 Ų4252.5 Ų52.522%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-117.6128.7179.8-55.4178.5000107.4E105 G167 Q169 A170E105-I165 HydrophobicContact CB-CD1 3.79Å; E105-I165 HydrophobicContact CB-CG1 4.41Å; E105-I165 WeakPolarHBondContact OE2-CD1 3.36Å; I165-G167 WeakPolarHBondContact CG2-O 3.44Å; I165-Q169 WeakPolarHBondContact CA-O 3.03Å; I165-A170 HydrophobicContact CG1-CB 4.24Å
166L64.7Low75.7Confident37 Ų3749.7 Ų49.719%0.19426%0.256CS..EExtended strand (participates in β ladder)trans-132.6106.1173.6-175.573.8000107.7V102 E168 Q169 F195 L197V102-L166 HydrophobicContact CB-CD1 4.12Å; V102-L166 HydrophobicContact CG1-CD1 3.74Å; V102-L166 HydrophobicContact CG2-CD1 3.49Å; V102-L166 VanDerWaalsContact CG2-CD1 3.49Å; L166-E168 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact N-O 2.89Å; L166-Q169 PolarHBondContact O-N 3.39Å; L166-F195 HydrophobicContact CB-CD1 3.58Å; L166-F195 HydrophobicContact CB-CD2 4.5Å; L166-F195 HydrophobicContact CB-CE1 3.51Å; L166-F195 HydrophobicContact CB-CE2 4.46Å; L166-F195 HydrophobicContact CB-CG 4.09Å; L166-F195 HydrophobicContact CB-CZ 3.99Å; L166-F195 HydrophobicContact CD2-CB 3.73Å; L166-F195 HydrophobicContact CD2-CD1 3.93Å; L166-F195 HydrophobicContact CD2-CD2 4.33Å; L166-F195 HydrophobicContact CD2-CG 3.74Å; L166-F195 HydrophobicContact CG-CD1 4.39Å; L166-L197 HydrophobicContact CD2-CD1 3.72Å; L166-L197 HydrophobicContact CD2-CD2 4.04Å; L166-L197 HydrophobicContact CD2-CG 4.06Å
167G67.3Low75.6Confident69 Ų6947.8 Ų47.871%0.71125%0.246SC*.THydrogen-bonded Turntrans57.7-124.6-169.100000111.1I165I165-G167 WeakPolarHBondContact CG2-O 3.44Å
168E72.5Confident75.4Confident203 Ų20343.9 Ų43.995%0.94923%0.229SC*.THydrogen-bonded Turntrans-85.6-6.8178.5-60.1-174.3169.100113.7L166L166-E168 PolarHBondContact O-N 3.28Å
169Q71.1Confident74.7Confident86 Ų8647.1 Ų47.140%0.40225%0.246SC..EExtended strand (participates in β ladder)trans-92133.3-177.2-61.5-171.8-3.600111I165 L166 F195I165-Q169 WeakPolarHBondContact CA-O 3.03Å; L166-Q169 PolarHBondContact N-O 2.89Å; L166-Q169 PolarHBondContact O-N 3.39Å; Q169-F195 HydrophobicContact CB-CD1 4.02Å; Q169-F195 HydrophobicContact CB-CE1 4.09Å; Q169-F195 PolarHBondContact OE1-O 2.85Å
170A77.5Confident74Confident41 Ų4148 Ų4834%0.33925%0.252SS..EExtended strand (participates in β ladder)trans-118.4131.2170.600000110.8V164 I165V164-A170 CarbonylContact O-C 3.54Å; V164-A170 VanDerWaalsContact O-CA 3.3Å; V164-A170 WeakPolarHBondContact O-CA 2.87Å; I165-A170 HydrophobicContact CG1-CB 4.24Å
171R78.7Confident73Confident113 Ų11356 Ų5643%0.42629%0.288SS..EExtended strand (participates in β ladder)trans-127.8154.3177.6-62.8-63.5-172.2-135.11.3110.7R163 V164 L173 A194 F195R163-R171 CarbonylContact C-O 3.58Å; R163-R171 WeakPolarHBondContact CA-O 3.37Å; V164-R171 PolarHBondContact N-O 2.88Å; V164-R171 PolarHBondContact O-N 2.94Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; R171-L173 HydrophobicContact CB-CD2 4.35Å; R171-L173 HydrophobicContact CB-CG 3.95Å; R171-A194 HydrophobicContact CG-CB 4.28Å; R171-A194 PolarHBondContact NE-O 2.89Å; R171-F195 HydrophobicContact CB-CE1 4.11Å; R171-F195 HydrophobicContact CB-CE2 4.33Å; R171-F195 HydrophobicContact CB-CZ 3.8Å; R171-F195 HydrophobicContact CG-CD1 4.01Å; R171-F195 HydrophobicContact CG-CE1 3.61Å; R171-F195 HydrophobicContact CG-CE2 4.36Å; R171-F195 HydrophobicContact CG-CZ 3.8Å
172Q79.9Confident71.9Confident112 Ų11262.7 Ų62.752%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-102.9114.8170.3-71.1-69.6-21.700107.1V162 R163V162-Q172 WeakPolarHBondContact O-CA 3.47Å; V162-Q172 PolarHBondContact O-OE1 2.96Å; R163-Q172 VanDerWaalsContact CB-NE2 3.34Å
173L77.3Confident71Confident20 Ų2063.9 Ų63.911%0.10533%0.331CS..EExtended strand (participates in β ladder)trans-131.7152.7-172.5-60.8173000110.3V162 V164 R171 W191 A194 F195V162-L173 WeakPolarHBondContact CG2-O 3.49Å; V162-L173 PolarHBondContact N-O 3.2Å; V162-L173 PolarHBondContact O-N 3.42Å; V164-L173 HydrophobicContact CB-CD1 4.2Å; V164-L173 HydrophobicContact CG2-CB 4.02Å; V164-L173 HydrophobicContact CG2-CD1 4.03Å; V164-L173 HydrophobicContact CG2-CG 4.3Å; R171-L173 HydrophobicContact CB-CD1 4.03Å; R171-L173 HydrophobicContact CB-CD2 4.35Å; R171-L173 HydrophobicContact CB-CG 3.95Å; L173-W191 HydrophobicContact CB-CD2 4.07Å; L173-W191 VanDerWaalsContact CB-CE2 3.49Å; L173-W191 HydrophobicContact CB-CG 4.42Å; L173-W191 HydrophobicContact CB-CZ2 3.8Å; L173-W191 HydrophobicContact CD1-CB 4.08Å; L173-W191 HydrophobicContact CD1-CD2 3.42Å; L173-W191 VanDerWaalsContact CD1-CD2 3.42Å; L173-W191 HydrophobicContact CD1-CE3 3.79Å; L173-W191 HydrophobicContact CD1-CG 3.55Å; L173-W191 HydrophobicContact CD1-CZ3 4.48Å; L173-W191 HydrophobicContact CG-CD2 4.34Å; L173-W191 HydrophobicContact CG-CG 4.45Å; L173-A194 HydrophobicContact CD1-CB 4.19Å; L173-A194 HydrophobicContact CD2-CB 3.63Å; L173-F195 HydrophobicContact CD1-CD2 4.25Å; L173-F195 HydrophobicContact CD1-CE2 3.54Å; L173-F195 HydrophobicContact CD1-CZ 4.26Å
174T76.9Confident70.3Confident26 Ų2664.1 Ų64.116%0.1635%0.345CS..EExtended strand (participates in β ladder)trans-77.4139.8174.3-600000109G118 Q159 A160 N161 L176 W191G118-T174 WeakPolarHBondContact CA-O 3.33Å; Q159-T174 HydrophobicContact CB-CG2 4.26Å; A160-T174 CarbonylContact O-C 3.53Å; N161-T174 PolarHBondContact OD1-OG1 2.82Å; N161-T174 VanDerWaalsContact OD1-OG1 3.07Å; T174-L176 HydrophobicContact CG2-CD2 4.41Å; T174-W191 WeakPolarHBondContact O-CZ2 3.41Å; T174-W191 PolarHBondContact O-NE1 3.42Å
175L79.9Confident69.9Low0 Ų065.8 Ų65.80%035%0.354CS..EExtended strand (participates in β ladder)trans-113.8131172.4-170.777000108.2I119 V121 L136 W139 Q159 A160 V162 V177 W191I119-L175 HydrophobicContact CB-CD1 3.6Å; I119-L175 HydrophobicContact CG2-CD1 4.03Å; I119-L175 WeakPolarHBondContact O-CD1 3.49Å; V121-L175 HydrophobicContact CG2-CD1 3.71Å; V121-L175 HydrophobicContact CG2-CD2 4.22Å; V121-L175 HydrophobicContact CG2-CG 4.25Å; L136-L175 HydrophobicContact CD1-CD2 4.06Å; W139-L175 HydrophobicContact CZ3-CD2 4.41Å; Q159-L175 CarbonylContact C-O 3.57Å; Q159-L175 WeakPolarHBondContact CA-O 3.27Å; Q159-L175 WeakPolarHBondContact CB-O 3.34Å; A160-L175 PolarHBondContact N-O 3Å; A160-L175 PolarHBondContact O-N 2.89Å; V162-L175 HydrophobicContact CG1-CB 3.78Å; V162-L175 HydrophobicContact CG1-CD2 4.09Å; V162-L175 HydrophobicContact CG2-CB 3.87Å; L175-V177 HydrophobicContact CD2-CG2 4.01Å; L175-V177 HydrophobicContact CG-CG2 4.31Å; L175-W191 HydrophobicContact CD1-CH2 4.12Å; L175-W191 HydrophobicContact CD1-CZ2 4.09Å
176L77.2Confident69.6Low0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-106.9127.7175.1-66.5178.9000109.2V117 I119 I120 V121 L146 L156 Q159 T174V117-L176 HydrophobicContact CB-CD1 4.4Å; V117-L176 HydrophobicContact CG1-CD1 3.75Å; I119-L176 CarbonylContact O-C 3.59Å; I119-L176 PolarHBondContact O-N 2.79Å; I120-L176 WeakPolarHBondContact CA-O 3.42Å; V121-L176 PolarHBondContact N-O 3.28Å; L146-L176 HydrophobicContact CD1-CB 4.44Å; L146-L176 HydrophobicContact CD1-CD1 4Å; L146-L176 HydrophobicContact CD2-CD1 4.05Å; L146-L176 HydrophobicContact CG-CD1 4.2Å; L156-L176 HydrophobicContact CD2-CB 4.06Å; Q159-L176 HydrophobicContact CB-CD2 3.66Å; T174-L176 HydrophobicContact CG2-CD2 4.41Å
177V76.8Confident69.7Low1 Ų170 Ų701%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-110.7130.1-177.6-178.20000109.8P133 W139 L156 K157 G158 L175P133-V177 HydrophobicContact CB-CG1 4.49Å; W139-V177 HydrophobicContact CD2-CB 4.31Å; W139-V177 HydrophobicContact CD2-CG2 4.18Å; W139-V177 HydrophobicContact CE3-CB 4.36Å; W139-V177 HydrophobicContact CE3-CG2 3.78Å; W139-V177 HydrophobicContact CH2-CB 4.3Å; W139-V177 HydrophobicContact CH2-CG1 4.39Å; W139-V177 HydrophobicContact CH2-CG2 3.41Å; W139-V177 VanDerWaalsContact CH2-CG2 3.41Å; W139-V177 HydrophobicContact CZ2-CB 4.19Å; W139-V177 HydrophobicContact CZ2-CG1 3.92Å; W139-V177 HydrophobicContact CZ2-CG2 3.79Å; W139-V177 HydrophobicContact CZ3-CB 4.39Å; W139-V177 HydrophobicContact CZ3-CG2 3.41Å; W139-V177 VanDerWaalsContact CZ3-CG2 3.41Å; L156-V177 CarbonylContact C-O 3.48Å; L156-V177 WeakPolarHBondContact CD2-O 3.35Å; K157-V177 HydrophobicContact CB-CG1 4.26Å; K157-V177 HydrophobicContact CD-CG1 4.4Å; K157-V177 PolarHBondContact N-O 3.28Å; G158-V177 PolarHBondContact N-O 2.92Å; G158-V177 PolarHBondContact O-N 3.28Å; L175-V177 HydrophobicContact CD2-CG2 4.01Å; L175-V177 HydrophobicContact CG-CG2 4.31Å
178T74.2Confident69.7Low0 Ų067.6 Ų67.60%035%0.35CS..EExtended strand (participates in β ladder)trans-111.4155.8176.4-177.80000109.8I120 V154 P155 L180I120-T178 HydrophobicContact CG2-CG2 3.36Å; V154-T178 WeakPolarHBondContact CG1-OG1 3.35Å; P155-T178 WeakPolarHBondContact O-CA 3.36Å; P155-T178 VanDerWaalsContact O-CB 3.3Å; P155-T178 WeakPolarHBondContact O-CB 3.46Å; P155-T178 PolarHBondContact O-OG1 3.17Å; T178-L180 HydrophobicContact CG2-CB 4.08Å; T178-L180 HydrophobicContact CG2-CD1 4.23Å; T178-L180 HydrophobicContact CG2-CG 4.35Å; T178-L180 WeakPolarHBondContact OG1-CG 3.47Å; T178-L180 PolarHBondContact OG1-N 3.01Å
179D68.7Low69.3Low69 Ų6963.8 Ų63.837%0.36934%0.335SS..  trans-99.812.7172.161.2-19.2000113.1P155 E181P155-D179 VanDerWaalsContact CB-OD1 3.23Å; P155-D179 WeakPolarHBondContact CB-OD1 3.45Å; P155-D179 WeakPolarHBondContact CG-OD1 3.25Å; D179-E181 PolarHBondContact O-N 3.32Å
180L67.1Low69.2Low62 Ų6261.3 Ų61.333%0.32533%0.325SS..  trans-54.5122.7170.3-75.4171.7000111N122 V154 P155 T178 Q182N122-L180 VanDerWaalsContact CG-O 3.25Å; N122-L180 PolarHBondContact OD1-O 2.83Å; V154-L180 HydrophobicContact CB-CD1 4.44Å; V154-L180 HydrophobicContact CG1-CD1 3.58Å; V154-L180 HydrophobicContact CG1-CG 4.21Å; V154-L180 HydrophobicContact CG2-CD1 4.18Å; P155-L180 HydrophobicContact CG-CD2 4.43Å; T178-L180 HydrophobicContact CG2-CB 4.08Å; T178-L180 HydrophobicContact CG2-CD1 4.23Å; T178-L180 HydrophobicContact CG2-CG 4.35Å; T178-L180 WeakPolarHBondContact OG1-CG 3.47Å; T178-L180 PolarHBondContact OG1-N 3.01Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.02Å
181E57.2Low69Low169 Ų16959.5 Ų59.579%0.7931%0.309SS*.SBendtrans-64.7-35.2177.5-63.5-176.7167.600111.6N122 D179N122-E181 PolarHBondContact ND2-O 3.1Å; D179-E181 PolarHBondContact O-N 3.32Å
182Q55.4Low68.5Low183 Ų18355.3 Ų55.386%0.85530%0.295SS*.SBendtrans-121.985179.9-64.2-176.7-9.800110.2L180L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 3.02Å
183G55.7Low68Low25 Ų2556 Ų5626%0.25830%0.302SS..  trans-131.8141.5174.900000112.2N122N122-G183 WeakPolarHBondContact CB-O 3.5Å; N122-G183 PolarHBondContact ND2-N 3.26Å; N122-G183 VanDerWaalsContact ND2-N 3.13Å; N122-G183 PolarHBondContact ND2-O 3.22Å
184S57.4Low67.9Low87 Ų8756.2 Ų56.261%0.60831%0.308SS*.  trans-88.8148.6166.348.20000110.2L186S184-L186 PolarHBondContact O-N 3.39Å
185N63.2Low67.7Low36 Ų3655.5 Ų55.519%0.19330%0.302CS..  trans-78.9125.7177.2-54.6-36.5000109.8I119 I120 V121 N122 S125 I128I119-N185 HydrophobicContact CG2-CB 4.3Å; I120-N185 WeakPolarHBondContact O-CA 3.33Å; I120-N185 WeakPolarHBondContact O-CB 3.42Å; I120-N185 PolarHBondContact O-OD1 3.07Å; V121-N185 VanDerWaalsContact CA-OD1 3.24Å; V121-N185 WeakPolarHBondContact CA-OD1 3.22Å; N122-N185 PolarHBondContact N-OD1 3.09Å; N122-N185 VanDerWaalsContact N-OD1 3.11Å; S125-N185 WeakPolarHBondContact CB-ND2 3.49Å; S125-N185 PolarHBondContact OG-ND2 3.38Å; S125-N185 PolarHBondContact OG-OD1 3.41Å; I128-N185 HydrophobicContact CD1-CB 3.58Å; I128-N185 WeakPolarHBondContact CD1-ND2 3.32Å
186L63.7Low67.4Low99 Ų9958.2 Ų58.252%0.51833%0.33SS..BIsolated β-bridgetrans-113.6126.2-175-64.9179.3000110.1I119 I120 S184I119-L186 WeakPolarHBondContact CA-O 3.33Å; I120-L186 HydrophobicContact CD1-CD1 4.34Å; I120-L186 PolarHBondContact N-O 3.33Å; I120-L186 PolarHBondContact O-N 3Å; S184-L186 PolarHBondContact O-N 3.39Å
187M66.8Low66.8Low70 Ų7061.6 Ų61.635%0.34535%0.347SS..  trans-80.2122.3169.7-170175.8-74.400110.2I119 W191 L192 L197I119-M187 HydrophobicContact CD1-CE 4.34Å; I119-M187 HydrophobicContact CG1-CB 4.44Å; I119-M187 HydrophobicContact CG1-CG 4.49Å; M187-W191 HydrophobicContact CE-CE3 4.34Å; M187-W191 HydrophobicContact CG-CB 3.54Å; M187-W191 HydrophobicContact CG-CG 4.32Å; M187-W191 HydrophobicContact SD-CB 4.13Å; M187-L192 HydrophobicContact CG-CG 4.37Å; M187-L192 HydrophobicContact SD-CD2 3.82Å; M187-L192 HydrophobicContact SD-CG 4.21Å; M187-L197 HydrophobicContact SD-CD1 4.28Å
188G65.6Low65.9Low17 Ų1772.8 Ų72.818%0.17539%0.39CS..  trans-70.1157.4175.100000112.1D190 W191 L192G188-D190 VanDerWaalsContact C-OD1 3.26Å; G188-D190 VanDerWaalsContact CA-OD1 3.31Å; G188-D190 WeakPolarHBondContact CA-OD1 3.23Å; G188-D190 PolarHBondContact O-N 3.31Å; G188-W191 PolarHBondContact O-N 3.29Å; G188-W191 VanDerWaalsContact O-N 3.14Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.13Å
189L65.7Low65Low123 Ų12379.1 Ų79.164%0.64442%0.423SS*.Hα-helixtrans-61.1-31.1174.8-71.5167.1000111.9W191 L192 D193L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 2.93Å; L189-L192 HydrophobicContact CD2-CD1 4.03Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-D193 WeakPolarHBondContact O-CB 3.49Å; L189-D193 PolarHBondContact O-N 2.94Å
190D68.4Low63.6Low35 Ų3578.9 Ų78.919%0.18743%0.427CS..Hα-helixtrans-61.5-38.2173.961.7-29.1000112.7S116 V117 G188 A194S116-D190 VanDerWaalsContact CB-OD2 3.27Å; S116-D190 WeakPolarHBondContact CB-OD2 3.15Å; V117-D190 PolarHBondContact N-OD2 3.5Å; G188-D190 VanDerWaalsContact C-OD1 3.26Å; G188-D190 VanDerWaalsContact CA-OD1 3.31Å; G188-D190 WeakPolarHBondContact CA-OD1 3.23Å; G188-D190 PolarHBondContact O-N 3.31Å; D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 2.95Å
191W73.1Confident62.2Low3 Ų380.7 Ų80.71%0.01144%0.442CS..Hα-helixtrans-70.6-43.8172.9-75.749.2000111.1I119 V162 V164 L173 T174 L175 M187 G188 L189 D193 A194 F195I119-W191 HydrophobicContact CB-CH2 4.11Å; I119-W191 HydrophobicContact CB-CZ2 4.08Å; I119-W191 HydrophobicContact CB-CZ3 4.49Å; I119-W191 HydrophobicContact CD1-CD2 3.97Å; I119-W191 HydrophobicContact CD1-CE3 3.32Å; I119-W191 HydrophobicContact CD1-CH2 3.46Å; I119-W191 VanDerWaalsContact CD1-CH2 3.46Å; I119-W191 HydrophobicContact CD1-CZ2 4.12Å; I119-W191 HydrophobicContact CD1-CZ3 3.01Å; I119-W191 HydrophobicContact CG1-CD2 3.7Å; I119-W191 HydrophobicContact CG1-CE3 3.62Å; I119-W191 HydrophobicContact CG1-CG 4.43Å; I119-W191 HydrophobicContact CG1-CH2 3.71Å; I119-W191 HydrophobicContact CG1-CZ2 3.83Å; I119-W191 HydrophobicContact CG1-CZ3 3.61Å; V162-W191 HydrophobicContact CG2-CH2 3.94Å; V162-W191 HydrophobicContact CG2-CZ2 3.98Å; V164-W191 HydrophobicContact CB-CE3 4.47Å; V164-W191 HydrophobicContact CB-CH2 4.32Å; V164-W191 HydrophobicContact CB-CZ3 3.94Å; V164-W191 HydrophobicContact CG1-CE3 3.84Å; V164-W191 HydrophobicContact CG1-CH2 4.16Å; V164-W191 HydrophobicContact CG1-CZ3 3.35Å; V164-W191 HydrophobicContact CG2-CE3 4.04Å; V164-W191 HydrophobicContact CG2-CH2 3.23Å; V164-W191 HydrophobicContact CG2-CZ2 3.85Å; V164-W191 HydrophobicContact CG2-CZ3 3.32Å; L173-W191 HydrophobicContact CB-CD2 4.07Å; L173-W191 VanDerWaalsContact CB-CE2 3.49Å; L173-W191 HydrophobicContact CB-CG 4.42Å; L173-W191 HydrophobicContact CB-CZ2 3.8Å; L173-W191 HydrophobicContact CD1-CB 4.08Å; L173-W191 HydrophobicContact CD1-CD2 3.42Å; L173-W191 VanDerWaalsContact CD1-CD2 3.42Å; L173-W191 HydrophobicContact CD1-CE3 3.79Å; L173-W191 HydrophobicContact CD1-CG 3.55Å; L173-W191 HydrophobicContact CD1-CZ3 4.48Å; L173-W191 HydrophobicContact CG-CD2 4.34Å; L173-W191 HydrophobicContact CG-CG 4.45Å; T174-W191 WeakPolarHBondContact O-CZ2 3.41Å; T174-W191 PolarHBondContact O-NE1 3.42Å; L175-W191 HydrophobicContact CD1-CH2 4.12Å; L175-W191 HydrophobicContact CD1-CZ2 4.09Å; M187-W191 HydrophobicContact CE-CE3 4.34Å; M187-W191 HydrophobicContact CG-CB 3.54Å; M187-W191 HydrophobicContact CG-CG 4.32Å; M187-W191 HydrophobicContact SD-CB 4.13Å; G188-W191 PolarHBondContact O-N 3.29Å; G188-W191 VanDerWaalsContact O-N 3.14Å; L189-W191 VanDerWaalsContact C-N 3.33Å; L189-W191 PolarHBondContact O-N 2.93Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 3.35Å; W191-A194 PolarHBondContact O-N 3.31Å; W191-F195 VanDerWaalsContact O-CD2 3.27Å; W191-F195 WeakPolarHBondContact O-CD2 3.23Å; W191-F195 PolarHBondContact O-N 3.34Å; W191-F195 VanDerWaalsContact O-N 3.11Å
192L68.6Low61.2Low25 Ų2578.2 Ų78.213%0.13143%0.426CS..Hα-helixtrans-57.1-47.5175.4-69.9171000110.9M187 G188 L189 F195 G196 L197 L199M187-L192 HydrophobicContact CG-CG 4.37Å; M187-L192 HydrophobicContact SD-CD2 3.82Å; M187-L192 HydrophobicContact SD-CG 4.21Å; G188-L192 PolarHBondContact O-N 3.1Å; G188-L192 VanDerWaalsContact O-N 3.13Å; L189-L192 HydrophobicContact CD2-CD1 4.03Å; L189-L192 PolarHBondContact O-N 2.99Å; L192-F195 CarbonylContact O-C 3.56Å; L192-F195 PolarHBondContact O-N 2.95Å; L192-G196 PolarHBondContact O-N 3.33Å; L192-L197 HydrophobicContact CB-CB 4.32Å; L192-L197 HydrophobicContact CD2-CB 3.68Å; L192-L197 HydrophobicContact CD2-CD1 3.73Å; L192-L197 HydrophobicContact CD2-CG 4.38Å; L192-L197 PolarHBondContact O-N 3.37Å; L192-L199 HydrophobicContact CD1-CD1 3.98Å; L192-L199 HydrophobicContact CD1-CG 4.3Å
193D69.8Low60Low125 Ų12576.3 Ų76.367%0.66842%0.422SS*.Hα-helixtrans-62.8-43.4177-72.5-21000111.7L189 W191 F195 G196L189-D193 WeakPolarHBondContact O-CB 3.49Å; L189-D193 PolarHBondContact O-N 2.94Å; W191-D193 VanDerWaalsContact C-N 3.33Å; W191-D193 PolarHBondContact O-N 3.35Å; D193-F195 PolarHBondContact O-N 3.35Å; D193-G196 PolarHBondContact O-N 2.89Å
194A73.8Confident58.7Low26 Ų2680.2 Ų80.222%0.21545%0.445CS..Hα-helixtrans-62.6-31.1-179.800000113.3R171 L173 D190 W191R171-A194 HydrophobicContact CG-CB 4.28Å; R171-A194 PolarHBondContact NE-O 2.89Å; L173-A194 HydrophobicContact CD1-CB 4.19Å; L173-A194 HydrophobicContact CD2-CB 3.63Å; D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.35Å; D190-A194 PolarHBondContact O-N 2.95Å; W191-A194 PolarHBondContact O-N 3.31Å
195F73Confident57.4Low11 Ų1180.6 Ų80.65%0.04844%0.444CS..THydrogen-bonded Turntrans-961.3175.6-72.3-68.6000113.7V164 L166 Q169 R171 L173 W191 L192 D193 L197V164-F195 HydrophobicContact CB-CE2 4.07Å; V164-F195 HydrophobicContact CB-CZ 3.78Å; V164-F195 HydrophobicContact CG1-CE2 3.63Å; V164-F195 HydrophobicContact CG1-CZ 3.56Å; L166-F195 HydrophobicContact CB-CD1 3.58Å; L166-F195 HydrophobicContact CB-CD2 4.5Å; L166-F195 HydrophobicContact CB-CE1 3.51Å; L166-F195 HydrophobicContact CB-CE2 4.46Å; L166-F195 HydrophobicContact CB-CG 4.09Å; L166-F195 HydrophobicContact CB-CZ 3.99Å; L166-F195 HydrophobicContact CD2-CB 3.73Å; L166-F195 HydrophobicContact CD2-CD1 3.93Å; L166-F195 HydrophobicContact CD2-CD2 4.33Å; L166-F195 HydrophobicContact CD2-CG 3.74Å; L166-F195 HydrophobicContact CG-CD1 4.39Å; Q169-F195 HydrophobicContact CB-CD1 4.02Å; Q169-F195 HydrophobicContact CB-CE1 4.09Å; Q169-F195 PolarHBondContact OE1-O 2.85Å; R171-F195 HydrophobicContact CB-CE1 4.11Å; R171-F195 HydrophobicContact CB-CE2 4.33Å; R171-F195 HydrophobicContact CB-CZ 3.8Å; R171-F195 HydrophobicContact CG-CD1 4.01Å; R171-F195 HydrophobicContact CG-CE1 3.61Å; R171-F195 HydrophobicContact CG-CE2 4.36Å; R171-F195 HydrophobicContact CG-CZ 3.8Å; L173-F195 HydrophobicContact CD1-CD2 4.25Å; L173-F195 HydrophobicContact CD1-CE2 3.54Å; L173-F195 HydrophobicContact CD1-CZ 4.26Å; W191-F195 VanDerWaalsContact O-CD2 3.27Å; W191-F195 WeakPolarHBondContact O-CD2 3.23Å; W191-F195 PolarHBondContact O-N 3.34Å; W191-F195 VanDerWaalsContact O-N 3.11Å; L192-F195 CarbonylContact O-C 3.56Å; L192-F195 PolarHBondContact O-N 2.95Å; D193-F195 PolarHBondContact O-N 3.35Å; F195-L197 HydrophobicContact CB-CD1 4.21Å; F195-L197 HydrophobicContact CB-CG 3.95Å; F195-L197 PolarHBondContact O-N 2.86Å
196G73.7Confident55.7Low56 Ų5684 Ų8458%0.57747%0.471SS*.THydrogen-bonded Turntrans63.822.7-177.600000113.5L192 D193 R198L192-G196 PolarHBondContact O-N 3.33Å; D193-G196 PolarHBondContact O-N 2.89Å; G196-R198 PolarHBondContact O-N 3.3Å; G196-R198 VanDerWaalsContact O-N 3.12Å
197L65.4Low53.9Low71 Ų7187.5 Ų87.537%0.37249%0.489SS..  trans-73.8101.7176.3-66.1176.1000108.5L166 M187 L192 F195L166-L197 HydrophobicContact CD2-CD1 3.72Å; L166-L197 HydrophobicContact CD2-CD2 4.04Å; L166-L197 HydrophobicContact CD2-CG 4.06Å; M187-L197 HydrophobicContact SD-CD1 4.28Å; L192-L197 HydrophobicContact CB-CB 4.32Å; L192-L197 HydrophobicContact CD2-CB 3.68Å; L192-L197 HydrophobicContact CD2-CD1 3.73Å; L192-L197 HydrophobicContact CD2-CG 4.38Å; L192-L197 PolarHBondContact O-N 3.37Å; F195-L197 HydrophobicContact CB-CD1 4.21Å; F195-L197 HydrophobicContact CB-CG 3.95Å; F195-L197 PolarHBondContact O-N 2.86Å
198R58.2Low52.3Low237 Ų23791.8 Ų91.889%0.89451%0.512SS*.  trans-85.1119.4170.5-67.6-173.4179-179.30.7108.5G196 S200G196-R198 PolarHBondContact O-N 3.3Å; G196-R198 VanDerWaalsContact O-N 3.12Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.66Å
199L53.8Low50.8Low133 Ų13399.5 Ų99.570%0.69654%0.543SS*.  trans-67.895.5162.7-63174.7000106.9L192L192-L199 HydrophobicContact CD1-CD1 3.98Å; L192-L199 HydrophobicContact CD1-CG 4.3Å
200S39.5Very low49.5Very low64 Ų64102.9 Ų102.945%0.44856%0.556SS.*  trans-58.2129.4166.7171.90000107.2R198 Y202R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.66Å; S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 PolarHBondContact OG-N 3.02Å; S200-Y202 VanDerWaalsContact OG-N 3.14Å; S200-Y202 PolarHBondContact OG-O 3.43Å
201P38.2Very low48.1Very low99 Ų99110.5 Ų110.564%0.64359%0.59SS**SBendtrans-67.6-3.517454.3000113
202Y35.9Very low46.4Very low117 Ų117119.3 Ų119.346%0.45963%0.631SS.*  trans-147.5100.2-174.8-55.3-79.3000110.8S200 T205 M213S200-Y202 PolarHBondContact O-N 2.86Å; S200-Y202 VanDerWaalsContact O-N 3.09Å; S200-Y202 PolarHBondContact OG-N 3.02Å; S200-Y202 VanDerWaalsContact OG-N 3.14Å; S200-Y202 PolarHBondContact OG-O 3.43Å; Y202-T205 HydrophobicContact CD1-CG2 4.49Å; Y202-M213 HydrophobicContact CD2-CE 4.31Å; Y202-M213 HydrophobicContact CE2-CE 4.28Å; Y202-M213 HydrophobicContact CE2-SD 4.37Å
203D30.5Very low44.9Very low144 Ų144123.4 Ų123.477%0.7765%0.651SS**SBendtrans-127.658.2158.8-103.4-23.7000107.8
204S29.4Very low43.1Very low107 Ų107121.3 Ų121.375%0.74866%0.66SS**  trans-171.956.9169.9-720000108.2
205T28.2Very low41.2Very low94 Ų94124.2 Ų124.258%0.57768%0.683SS**  trans-129.2103.9167.237.80000109.3Y202 L207Y202-T205 HydrophobicContact CD1-CG2 4.49Å; T205-L207 PolarHBondContact O-N 3.34Å
206S27.8Very low39.4Very low109 Ų109127.8 Ų127.876%0.76272%0.715SS**  trans-53.6113.2149.946.80000108.6
207L25.9Very low37.7Very low172 Ų172130.4 Ų130.490%0.90171%0.714SS**  trans38.285.2151.7-59.6168.8000116.4T205T205-L207 PolarHBondContact O-N 3.34Å
208I33Very low36.1Very low159 Ų159135.7 Ų135.782%0.81573%0.734SS**  trans-136.5130.4149.1-48.4178.5000107.8
209E35.2Very low35.1Very low180 Ų180130.5 Ų130.584%0.84172%0.724SS**  trans-55.2135.7-165.9-62.317014900114.6E211E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.09Å; E209-E211 VanDerWaalsContact O-N 3.11Å
210E39Very low35Very low194 Ų194131.9 Ų131.991%0.90773%0.731SS**THydrogen-bonded Turntrans-62.8-12.1-172-81.6179.3135.600116.1
211E39.2Very low35.2Very low194 Ų194136.5 Ų136.591%0.90774%0.743SS**THydrogen-bonded Turntrans-84-13.2-167.3-90.4-177.3154.800115.9E209E209-E211 VanDerWaalsContact C-N 3.25Å; E209-E211 PolarHBondContact O-N 3.09Å; E209-E211 VanDerWaalsContact O-N 3.11Å
212Q36.8Very low35.7Very low188 Ų188141 Ų14188%0.87975%0.748SS**SBendtrans-101.7-8-176.6-71.6-166.75.500115.9
213M36.1Very low36.5Very low111 Ų111139.1 Ų139.155%0.54774%0.743SS.*SBendtrans-96.6-12.8-168.7-152167.258.100114.9Y202 A215Y202-M213 HydrophobicContact CD2-CE 4.31Å; Y202-M213 HydrophobicContact CE2-CE 4.28Å; Y202-M213 HydrophobicContact CE2-SD 4.37Å; M213-A215 PolarHBondContact O-N 3.48Å
214G31.9Very low37.4Very low82 Ų82140.4 Ų140.485%0.84574%0.737SS**THydrogen-bonded Turntrans-68-4.8-175.900000116.7
215A35.5Very low38.5Very low86 Ų86137.8 Ų137.871%0.71173%0.727SS**THydrogen-bonded Turntrans-105.1-11.2-17500000115.1M213M213-A215 PolarHBondContact O-N 3.48Å
216A34.8Very low39.5Very low86 Ų86139 Ų13971%0.71173%0.734SS**SBendtrans-100.8-9.7-167.600000115.9
217I37.7Very low40.7Very low111 Ų111139 Ų13957%0.56972%0.721SS**  trans-105.176.5179.5-50.5176.7000109.5
218K31.9Very low42Very low183 Ų183135.4 Ų135.480%0.79670%0.7SS**  trans-125.1120.4163.5-70.9-176.7179177.40106.7
219D37Very low42.9Very low127 Ų127131.4 Ų131.468%0.67968%0.68SS**  trans89.968.9-179.9-62-8.6000118K221D219-K221 HydrophobicContact CB-CG 4.44Å; D219-K221 PolarHBondContact O-N 3.5Å; D219-K221 IonicContact OD2-NZ 3.77Å
220I50.5Low43.9Very low162 Ų162125 Ų12583%0.83165%0.652SS**  trans-74.5108.6151-61.2175.7000107.4
221K44Very low44.4Very low161 Ų161117.2 Ų117.270%0.762%0.621SS**  trans-98.9131.7176.2-71.2179.6-178.4170.40110.4D219 K223D219-K221 HydrophobicContact CB-CG 4.44Å; D219-K221 PolarHBondContact O-N 3.5Å; D219-K221 IonicContact OD2-NZ 3.77Å; K221-K223 PolarHBondContact O-N 2.82Å
222Y50.2Low45.1Very low194 Ų194112 Ų11276%0.76160%0.599SS**  trans-54.3124.5170.7170.5-101.8000110.9R224Y222-R224 HydrophobicContact CD1-CG 4.38Å; Y222-R224 HydrophobicContact CE1-CB 4.35Å; Y222-R224 HydrophobicContact CE1-CG 3.5Å
223K51.1Low45.8Very low78 Ų78103.7 Ų103.734%0.33956%0.563SS.*  trans-105.9122.2172.4-145.8177.5-175.6179.20107.9E80 K221 H227 H228E80-K223 IonicContact OE1-NZ 2.62Å; E80-K223 PolarHBondContact OE1-NZ 3.13Å; E80-K223 IonicContact OE2-NZ 3.63Å; K221-K223 PolarHBondContact O-N 2.82Å; K223-H227 HydrophobicContact CD-CB 4.25Å; K223-H227 WeakPolarHBondContact CE-O 3.26Å; K223-H227 HydrophobicContact CG-CB 3.85Å; K223-H228 PolarHBondContact O-CE1 3.17Å
224R50.5Low46.5Very low171 Ų171102.8 Ų102.865%0.64556%0.559SS**  trans-59.7145.6177.1-75.7178.3171.3178-2110Y222 T226 H227Y222-R224 HydrophobicContact CD1-CG 4.38Å; Y222-R224 HydrophobicContact CE1-CB 4.35Å; Y222-R224 HydrophobicContact CE1-CG 3.5Å; R224-T226 PolarHBondContact O-N 3.31Å; R224-H227 WeakPolarHBondContact O-CB 3.41Å; R224-H227 PolarHBondContact O-N 3.42Å
225G51.9Low47.7Very low52 Ų52103.4 Ų103.454%0.53655%0.551SS.*G310 helixtrans-47.6-35.1-17800000115.2H227 H228G225-H227 PolarHBondContact O-N 2.89Å; G225-H228 PolarHBondContact O-N 3.39Å; G225-H228 VanDerWaalsContact O-N 3.16Å
226T49.9Very low48.7Very low118 Ų118107.4 Ų107.472%0.72455%0.547SS*.G310 helixtrans-68.1-9.7177.253.80000114.9R224R224-T226 PolarHBondContact O-N 3.31Å
227H53.4Low49.7Very low109 Ų109107.6 Ų107.651%0.50554%0.536SS..G310 helixtrans-112.45.6177.5-62.8-58.4000112.4K223 R224 G225K223-H227 HydrophobicContact CD-CB 4.25Å; K223-H227 WeakPolarHBondContact CE-O 3.26Å; K223-H227 HydrophobicContact CG-CB 3.85Å; R224-H227 WeakPolarHBondContact O-CB 3.41Å; R224-H227 PolarHBondContact O-N 3.42Å; G225-H227 PolarHBondContact O-N 2.89Å
228H52.9Low50.4Low98 Ų98107.1 Ų107.145%0.45454%0.54SS..  trans-8798.4165.8-66.7126000108.4Y149 K223 G225 N230Y149-H228 PolarHBondContact OH-O 3.42Å; K223-H228 PolarHBondContact O-CE1 3.17Å; G225-H228 PolarHBondContact O-N 3.39Å; G225-H228 VanDerWaalsContact O-N 3.16Å; H228-N230 VanDerWaalsContact C-N 3.29Å; H228-N230 PolarHBondContact O-N 3.46Å
229N51.1Low51.6Low75 Ų75107.7 Ų107.740%0.40155%0.548SS..  trans-83.13.1-179.6-86.326.9000114.1R70R70-N229 PolarHBondContact NE-ND2 3.4Å; R70-N229 VanDerWaalsContact NE-ND2 3.17Å
230N56.3Low52.8Low45 Ų45103.7 Ų103.724%0.24154%0.537CS..  trans-125.211.1-157.1-117.328.4000117.9I81 A84 Y149 H228I81-N230 WeakPolarHBondContact CG2-OD1 3.15Å; I81-N230 PolarHBondContact O-ND2 3.09Å; A84-N230 WeakPolarHBondContact CB-ND2 3.35Å; Y149-N230 PolarHBondContact OH-N 3.41Å; H228-N230 VanDerWaalsContact C-N 3.29Å; H228-N230 PolarHBondContact O-N 3.46Å
231A50.2Low53.3Low31 Ų31101.6 Ų101.626%0.25653%0.534SS..  trans-103.514.3-176.900000116.6Y149 A233Y149-A231 VanDerWaalsContact CD1-C 3.44Å; Y149-A231 HydrophobicContact CD1-CB 3.94Å; Y149-A231 WeakPolarHBondContact CD1-O 3.31Å; Y149-A231 HydrophobicContact CD2-CB 3.07Å; Y149-A231 HydrophobicContact CE1-CB 3.95Å; Y149-A231 WeakPolarHBondContact CE1-O 3.36Å; Y149-A231 HydrophobicContact CE2-CB 3.06Å; Y149-A231 HydrophobicContact CG-CB 3.5Å; Y149-A231 PolarHBondContact OH-N 3.46Å; A231-A233 VanDerWaalsContact C-N 3.26Å
232D54.3Low54.5Low83 Ų8397.3 Ų97.344%0.44452%0.519SS..THydrogen-bonded Turntrans-78-12.6170.3-16740.5000112.5Y149 L234 R236Y149-D232 HydrophobicContact CE1-CB 4.03Å; D232-L234 VanDerWaalsContact C-N 3.35Å; D232-R236 IonicContact OD1-NE 3.63Å; D232-R236 IonicContact OD1-NH2 3.39Å; D232-R236 IonicContact OD2-NE 2.79Å; D232-R236 IonicContact OD2-NH2 2.68Å
233A50.9Low55.4Low15 Ų1592.6 Ų92.612%0.12451%0.512CS..THydrogen-bonded Turntrans-70.3-26.7179.100000114.2Q62 A231Q62-A233 PolarHBondContact NE2-O 3.27Å; A231-A233 VanDerWaalsContact C-N 3.26Å
234L51.2Low56.4Low91 Ų9195.8 Ų95.848%0.47653%0.528SS..SBendtrans-90.4-22-167.9-90.3169.5000114.5M92 D232 R236 L237M92-L234 HydrophobicContact CE-CD1 4.14Å; M92-L234 HydrophobicContact CE-CD2 3.13Å; M92-L234 HydrophobicContact CE-CG 3.56Å; M92-L234 HydrophobicContact CG-CD2 3.95Å; M92-L234 HydrophobicContact SD-CD2 3.29Å; M92-L234 WeakPolarHBondContact SD-CD2 3.37Å; M92-L234 HydrophobicContact SD-CG 4.35Å; D232-L234 VanDerWaalsContact C-N 3.35Å; L234-R236 VanDerWaalsContact C-N 3.32Å; L234-L237 HydrophobicContact CD2-CD1 3.94Å
235S57.2Low57.1Low95 Ų9592.3 Ų92.366%0.66452%0.518SS*.THydrogen-bonded Turntrans-86.9-3.2179.866.70000113.7
236R56.1Low57.6Low170 Ų17094.1 Ų94.164%0.64252%0.515SS*.THydrogen-bonded Turntrans-112.47.7-175.7-59.7178.2-174.4-87.2-1.3113.1D232 L234D232-R236 IonicContact OD1-NE 3.63Å; D232-R236 IonicContact OD1-NH2 3.39Å; D232-R236 IonicContact OD2-NE 2.79Å; D232-R236 IonicContact OD2-NH2 2.68Å; L234-R236 VanDerWaalsContact C-N 3.32Å
237L54.9Low58.3Low90 Ų9095.5 Ų95.547%0.47151%0.511SS..SBendtrans-69.9139.5178.6-71.1172.4000110.3M92 L234M92-L237 HydrophobicContact SD-CD1 3.61Å; L234-L237 HydrophobicContact CD2-CD1 3.94Å
238P54.2Low58.6Low101 Ų10195.9 Ų95.966%0.65651%0.513SS*.  trans-57140.3174.422.4-31.3000110.6G240P238-G240 PolarHBondContact O-N 3.05Å
239M55.1Low58.8Low195 Ų19596 Ų9696%0.96151%0.514SS*.SBendtrans-73.490.3179.8-77.8-17853.600110.4
240G63.8Low59Low44 Ų4496.1 Ų96.145%0.45453%0.525SS..SBendtrans86.6176.8174.500000114P238 D242P238-G240 PolarHBondContact O-N 3.05Å; G240-D242 PolarHBondContact O-N 3.07Å
241P61.1Low58.7Low117 Ų117100.7 Ų100.776%0.7655%0.545SS*.  trans-61.1131.4171.3-9.824.2000108.4P243P241-P243 WeakPolarHBondContact O-CD 3.48Å
242D68.7Low58.9Low71 Ų71106.9 Ų106.938%0.3856%0.562SS.*  trans-115.381.8172.3-172.6-16.2000107.4G240 E244 F245 D246G240-D242 PolarHBondContact O-N 3.07Å; D242-E244 PolarHBondContact O-N 3.12Å; D242-E244 VanDerWaalsContact O-N 3.1Å; D242-E244 PolarHBondContact OD1-N 3.28Å; D242-F245 HydrophobicContact CB-CB 3.85Å; D242-F245 PolarHBondContact O-N 3.04Å; D242-F245 PolarHBondContact OD1-N 2.95Å; D242-F245 VanDerWaalsContact OD2-CB 3.27Å; D242-F245 WeakPolarHBondContact OD2-CB 3.37Å; D242-D246 WeakPolarHBondContact O-CB 3Å; D242-D246 PolarHBondContact O-N 2.87Å
243P69.3Low58.7Low95 Ų95107.8 Ų107.862%0.61757%0.57SS**Hα-helixtrans-65.1-15.1-176.2-15.429.8000112.5P241 K247P241-P243 WeakPolarHBondContact O-CD 3.48Å; P243-K247 WeakPolarHBondContact O-CB 3.5Å; P243-K247 PolarHBondContact O-N 3.38Å
244E70.7Confident59Low145 Ų145112.4 Ų112.468%0.67859%0.59SS**Hα-helixtrans-80.5-51.3176.5-161.2162.3-155.500108.8D242 K247 E248D242-E244 PolarHBondContact O-N 3.12Å; D242-E244 VanDerWaalsContact O-N 3.1Å; D242-E244 PolarHBondContact OD1-N 3.28Å; E244-K247 PolarHBondContact O-N 3.22Å; E244-E248 WeakPolarHBondContact O-CB 3.38Å; E244-E248 WeakPolarHBondContact O-CG 3.41Å; E244-E248 PolarHBondContact O-N 2.95Å
245F65.4Low59.4Low98 Ų98109.7 Ų109.743%0.4358%0.575SS.*Hα-helixtrans-62.2-47172.8-175.1-92.3000112.8D242 K247 E248 E249D242-F245 HydrophobicContact CB-CB 3.85Å; D242-F245 PolarHBondContact O-N 3.04Å; D242-F245 PolarHBondContact OD1-N 2.95Å; D242-F245 VanDerWaalsContact OD2-CB 3.27Å; D242-F245 WeakPolarHBondContact OD2-CB 3.37Å; F245-K247 PolarHBondContact O-N 3.28Å; F245-E248 PolarHBondContact O-N 2.75Å; F245-E249 HydrophobicContact CD1-CB 4.45Å; F245-E249 HydrophobicContact CE1-CB 4.2Å; F245-E249 HydrophobicContact CE1-CG 4.48Å; F245-E249 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E249 VanDerWaalsContact O-CB 3.27Å; F245-E249 WeakPolarHBondContact O-CB 3.34Å; F245-E249 PolarHBondContact O-N 3.19Å
246D63.8Low59.7Low90 Ų90108 Ų10848%0.48156%0.561SS.*Hα-helixtrans-59.7-32.9179-69-25.7000111.2D242 A250D242-D246 WeakPolarHBondContact O-CB 3Å; D242-D246 PolarHBondContact O-N 2.87Å; D246-A250 WeakPolarHBondContact O-CB 3.43Å; D246-A250 PolarHBondContact O-N 3.34Å
247K64.4Low60.2Low147 Ų147103.8 Ų103.864%0.63955%0.551SS**Hα-helixtrans-82.4-33.6179.6-164.9-177.4-167.6-171.90112.5P243 E244 F245 H251P243-K247 WeakPolarHBondContact O-CB 3.5Å; P243-K247 PolarHBondContact O-N 3.38Å; E244-K247 PolarHBondContact O-N 3.22Å; F245-K247 PolarHBondContact O-N 3.28Å; K247-H251 PolarHBondContact O-N 2.75Å; K247-H251 PolarHBondContact O-ND1 3.06Å
248E58.8Low60.8Low117 Ų117102.9 Ų102.955%0.54756%0.556SS.*Hα-helixtrans-69.5-45.3170.9-76.1-176.2174.100111.6E244 F245 H251 W252E244-E248 WeakPolarHBondContact O-CB 3.38Å; E244-E248 WeakPolarHBondContact O-CG 3.41Å; E244-E248 PolarHBondContact O-N 2.95Å; F245-E248 PolarHBondContact O-N 2.75Å; E248-H251 WeakPolarHBondContact O-CA 3.27Å; E248-H251 WeakPolarHBondContact O-CB 3.29Å; E248-H251 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-NE1 3.47Å
249E57.6Low61.4Low101 Ų101100.3 Ų100.347%0.47254%0.537SS..Hα-helixtrans-67.4-39.1176.7-170.5177.2-144.900111.2F245 H251 W252F245-E249 HydrophobicContact CD1-CB 4.45Å; F245-E249 HydrophobicContact CE1-CB 4.2Å; F245-E249 HydrophobicContact CE1-CG 4.48Å; F245-E249 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E249 VanDerWaalsContact O-CB 3.27Å; F245-E249 WeakPolarHBondContact O-CB 3.34Å; F245-E249 PolarHBondContact O-N 3.19Å; E249-H251 PolarHBondContact O-N 3.05Å; E249-W252 VanDerWaalsContact O-CB 3.29Å; E249-W252 WeakPolarHBondContact O-CB 3.35Å; E249-W252 PolarHBondContact O-N 3.16Å
250A54.3Low61.9Low77 Ų7791.8 Ų91.864%0.63650%0.495SS*.THydrogen-bonded Turntrans-64.8-18.4170.800000113.4D246D246-A250 WeakPolarHBondContact O-CB 3.43Å; D246-A250 PolarHBondContact O-N 3.34Å
251H51.2Low62Low142 Ų14294.2 Ų94.266%0.65750%0.498SS*.THydrogen-bonded Turntrans-85.6-5.5170.8-89.268.4000113.4K247 E248 E249 T253K247-H251 PolarHBondContact O-N 2.75Å; K247-H251 PolarHBondContact O-ND1 3.06Å; E248-H251 WeakPolarHBondContact O-CA 3.27Å; E248-H251 WeakPolarHBondContact O-CB 3.29Å; E248-H251 PolarHBondContact O-N 2.91Å; E249-H251 PolarHBondContact O-N 3.05Å; H251-T253 PolarHBondContact O-N 3.24Å; H251-T253 PolarHBondContact O-OG1 3.09Å
252W53.7Low62.3Low160 Ų16090.1 Ų90.161%0.60647%0.472SS*.  trans-75.460.6170.5-65.619.5000109.3E248 E249E248-W252 PolarHBondContact O-N 2.91Å; E248-W252 PolarHBondContact O-NE1 3.47Å; E249-W252 VanDerWaalsContact O-CB 3.29Å; E249-W252 WeakPolarHBondContact O-CB 3.35Å; E249-W252 PolarHBondContact O-N 3.16Å
253T51Low62.2Low102 Ų10294.2 Ų94.263%0.62649%0.494SS*.  trans-64.7140.8174.2-40.80000107.4H251 L255H251-T253 PolarHBondContact O-N 3.24Å; H251-T253 PolarHBondContact O-OG1 3.09Å; T253-L255 PolarHBondContact O-N 3.13Å; T253-L255 VanDerWaalsContact O-N 3.15Å
254E55.9Low61.9Low113 Ų11397.1 Ų97.153%0.52850%0.504SS..  trans-38.7122.4172.4-174.7179-174.100110.3T256E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 WeakPolarHBondContact O-CG2 3.34Å; E254-T256 PolarHBondContact O-N 3.03Å
255L60Low61.6Low34 Ų3495.2 Ų95.218%0.17849%0.493CS..  trans-54.799.8174.9-114.4158.1000107.9T253 D259 L260 N328 V330T253-L255 PolarHBondContact O-N 3.13Å; T253-L255 VanDerWaalsContact O-N 3.15Å; L255-D259 HydrophobicContact CD2-CB 3.78Å; L255-L260 HydrophobicContact CD2-CD2 4.19Å; L255-L260 HydrophobicContact CD2-CG 4.41Å; L255-N328 HydrophobicContact CB-CB 3.61Å; L255-N328 VanDerWaalsContact CD1-O 3.22Å; L255-N328 WeakPolarHBondContact CD1-O 3.5Å; L255-N328 PolarHBondContact O-ND2 3.39Å; L255-V330 HydrophobicContact CD1-CG2 4.03Å
256T64.5Low61.8Low58 Ų5896.8 Ų96.836%0.35651%0.514SS..  trans-84.6169-177.667.20000110.1E254 A258 D259 L260E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 WeakPolarHBondContact O-CG2 3.34Å; E254-T256 PolarHBondContact O-N 3.03Å; T256-A258 PolarHBondContact O-N 3.15Å; T256-A258 PolarHBondContact OG1-N 2.77Å; T256-D259 WeakPolarHBondContact CB-OD2 3.14Å; T256-D259 PolarHBondContact N-OD2 3.29Å; T256-D259 PolarHBondContact O-N 2.79Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 3.28Å; T256-D259 PolarHBondContact OG1-OD2 3.3Å; T256-L260 PolarHBondContact O-N 2.65Å
257D66.4Low62.3Low82 Ų8294.7 Ų94.744%0.43950%0.504SS..THydrogen-bonded Turntrans-58.3-26.5171.1-86.7-36.6000112.7Q317 K318D257-Q317 PolarHBondContact OD1-NE2 2.93Å; D257-K318 PolarHBondContact O-NZ 3.24Å; D257-K318 VanDerWaalsContact OD1-CE 3.27Å; D257-K318 WeakPolarHBondContact OD1-CE 3.39Å; D257-K318 IonicContact OD1-NZ 3.29Å
258A67.5Low63.1Low71 Ų7190.8 Ų90.859%0.58749%0.49SS*.THydrogen-bonded Turntrans-75.1-36.3176.400000111.9T256 L260 D261 S262T256-A258 PolarHBondContact O-N 3.15Å; T256-A258 PolarHBondContact OG1-N 2.77Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.41Å; A258-D261 CarbonylContact O-C 3.54Å; A258-D261 PolarHBondContact O-N 2.95Å; A258-D261 VanDerWaalsContact O-N 3.12Å; A258-S262 PolarHBondContact O-N 2.95Å
259D67Low64.3Low47 Ų4789.4 Ų89.425%0.25148%0.48SS..G310 helixtrans-67.9-33.1177.4-60.4-51.9000112L255 T256 D261 S262 F265L255-D259 HydrophobicContact CD2-CB 3.78Å; T256-D259 WeakPolarHBondContact CB-OD2 3.14Å; T256-D259 PolarHBondContact N-OD2 3.29Å; T256-D259 PolarHBondContact O-N 2.79Å; T256-D259 VanDerWaalsContact O-N 3.13Å; T256-D259 PolarHBondContact OG1-N 3.28Å; T256-D259 PolarHBondContact OG1-OD2 3.3Å; D259-D261 PolarHBondContact O-N 2.74Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.76Å; D259-F265 HydrophobicContact CB-CE2 4.27Å
260L64.1Low65.7Low16 Ų1687.4 Ų87.48%0.08448%0.477CS..G310 helixtrans-65-20.7172.6-73173.8000113.6L255 T256 A258 R269 Q317 K318L255-L260 HydrophobicContact CD2-CD2 4.19Å; L255-L260 HydrophobicContact CD2-CG 4.41Å; T256-L260 PolarHBondContact O-N 2.65Å; A258-L260 VanDerWaalsContact C-N 3.32Å; A258-L260 PolarHBondContact O-N 3.41Å; L260-R269 WeakPolarHBondContact O-CB 3.27Å; L260-R269 WeakPolarHBondContact O-CD 3.27Å; L260-Q317 HydrophobicContact CD1-CG 4.16Å; L260-K318 HydrophobicContact CB-CD 4.18Å; L260-K318 HydrophobicContact CD1-CD 4.1Å; L260-K318 HydrophobicContact CD1-CG 4.48Å
261D67.9Low67.2Low96 Ų9687.8 Ų87.851%0.51347%0.466SS..G310 helixtrans-107.910.8177.9-62.9-34.1000111.6A258 D259 R269 K318A258-D261 CarbonylContact O-C 3.54Å; A258-D261 PolarHBondContact O-N 2.95Å; A258-D261 VanDerWaalsContact O-N 3.12Å; D259-D261 PolarHBondContact O-N 2.74Å; D261-R269 IonicContact OD1-NE 3.09Å; D261-K318 IonicContact OD1-NZ 3.61Å; D261-K318 IonicContact OD2-NZ 3.74Å; D261-K318 PolarHBondContact OD2-NZ 3.36Å
262S67.2Low69Low31 Ų3181.6 Ų81.622%0.21744%0.437CS..  trans-91.3132.9-177.5-178.80000112.1A258 D259 L264A258-S262 PolarHBondContact O-N 2.95Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.76Å; S262-L264 PolarHBondContact O-N 2.72Å; S262-L264 WeakPolarHBondContact OG-CB 2.99Å; S262-L264 WeakPolarHBondContact OG-CD1 3.29Å; S262-L264 VanDerWaalsContact OG-CG 3.26Å; S262-L264 WeakPolarHBondContact OG-CG 3.42Å; S262-L264 PolarHBondContact OG-N 3.18Å
263D64.9Low70.8Confident157 Ų15775.3 Ų75.384%0.8442%0.42SS*.THydrogen-bonded Turntrans-78.79.2175.2-61.5-33.1000113.1F265D263-F265 VanDerWaalsContact C-N 3.32Å
264L63.2Low72.7Confident155 Ų15576.4 Ų76.481%0.81242%0.418SS*.THydrogen-bonded Turntrans-78.7-13.1-177-67.6172.6000113.7S262S262-L264 PolarHBondContact O-N 2.72Å; S262-L264 WeakPolarHBondContact OG-CB 2.99Å; S262-L264 WeakPolarHBondContact OG-CD1 3.29Å; S262-L264 VanDerWaalsContact OG-CG 3.26Å; S262-L264 WeakPolarHBondContact OG-CG 3.42Å; S262-L264 PolarHBondContact OG-N 3.18Å
265F66.1Low74.3Confident105 Ų10571 Ų7146%0.46139%0.393SS..SBendtrans-92.7145.1179.6-65.9-78.1000111.4D259 D263 V267D259-F265 HydrophobicContact CB-CE2 4.27Å; D263-F265 VanDerWaalsContact C-N 3.32Å; F265-V267 PolarHBondContact O-N 3.21Å; F265-V267 VanDerWaalsContact O-N 3.09Å
266P69.3Low75.8Confident132 Ų13269.6 Ų69.686%0.85739%0.385SS*.SBendtrans-64.5-15.4179.126.3-34.7000113.5
267V73.5Confident77.1Confident46 Ų4669.5 Ų69.528%0.27939%0.39SS..SBendtrans-128.3124.1175-172.50000108.5F265 Q271 V272 L336F265-V267 PolarHBondContact O-N 3.21Å; F265-V267 VanDerWaalsContact O-N 3.09Å; V267-Q271 VanDerWaalsContact CA-OE1 3.31Å; V267-Q271 HydrophobicContact CG1-CB 3.62Å; V267-V272 HydrophobicContact CB-CG2 4.43Å; V267-V272 HydrophobicContact CG1-CG2 3.67Å; V267-L336 HydrophobicContact CG1-CD1 3.85Å; V267-L336 HydrophobicContact CG1-CD2 4.1Å; V267-L336 HydrophobicContact CG2-CD2 4.46Å
268D81.1Confident78.2Confident64 Ų6472.7 Ų72.734%0.34240%0.396SS..  trans-78.3162.71797850.4000112.2S270 Q271 V272D268-S270 PolarHBondContact O-N 3.13Å; D268-S270 WeakPolarHBondContact OD1-CA 3.33Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.76Å; D268-Q271 WeakPolarHBondContact O-CB 3.39Å; D268-Q271 PolarHBondContact O-N 2.66Å; D268-Q271 PolarHBondContact OD1-N 3.19Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.37Å; D268-V272 WeakPolarHBondContact O-CG2 3.27Å; D268-V272 PolarHBondContact O-N 3.17Å
269R84.6Confident79.4Confident89 Ų8970.3 Ų70.334%0.33637%0.374SS..Hα-helixtrans-56-37.3179.4-172.2-178.164.463.410.9113.2L260 D261 A273 K318 V320L260-R269 WeakPolarHBondContact O-CB 3.27Å; L260-R269 WeakPolarHBondContact O-CD 3.27Å; D261-R269 IonicContact OD1-NE 3.09Å; R269-A273 WeakPolarHBondContact O-CB 3.22Å; R269-A273 PolarHBondContact O-N 3.29Å; R269-K318 VanDerWaalsContact CD-O 3.28Å; R269-K318 WeakPolarHBondContact CD-O 3.44Å; R269-K318 PolarHBondContact NH1-O 2.93Å; R269-V320 HydrophobicContact CG-CG2 3.59Å
270S85.6Confident80.6Confident59 Ų5973 Ų7341%0.41339%0.394SS..Hα-helixtrans-71.1-41.8-178.3-50.30000110.8D268 A273 E274D268-S270 PolarHBondContact O-N 3.13Å; D268-S270 WeakPolarHBondContact OD1-CA 3.33Å; D268-S270 WeakPolarHBondContact OD1-CB 3.26Å; D268-S270 PolarHBondContact OD1-N 2.76Å; S270-A273 PolarHBondContact O-N 3.12Å; S270-E274 WeakPolarHBondContact O-CB 3.39Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 3.36Å
271Q87.1Confident82Confident85 Ų8574.1 Ų74.140%0.39740%0.401SS..Hα-helixtrans-60.5-45.7173.8-70.9174.4-33.500111.3V267 D268 A273 E274 A275V267-Q271 VanDerWaalsContact CA-OE1 3.31Å; V267-Q271 HydrophobicContact CG1-CB 3.62Å; D268-Q271 WeakPolarHBondContact O-CB 3.39Å; D268-Q271 PolarHBondContact O-N 2.66Å; D268-Q271 PolarHBondContact OD1-N 3.19Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.37Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.47Å; Q271-E274 PolarHBondContact O-N 3.24Å; Q271-A275 VanDerWaalsContact O-CB 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.46Å; Q271-A275 PolarHBondContact O-N 3.39Å
272V89.5Confident83.2Confident11 Ų1169.5 Ų69.57%0.06738%0.377CS..Hα-helixtrans-61.2-43.9174.9178.10000110.9V267 D268 T276 V320 V330 L336V267-V272 HydrophobicContact CB-CG2 4.43Å; V267-V272 HydrophobicContact CG1-CG2 3.67Å; D268-V272 WeakPolarHBondContact O-CG2 3.27Å; D268-V272 PolarHBondContact O-N 3.17Å; V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.46Å; V272-T276 PolarHBondContact O-N 2.99Å; V272-T276 PolarHBondContact O-OG1 3.29Å; V272-V320 HydrophobicContact CB-CG2 4.37Å; V272-V320 HydrophobicContact CG1-CG1 3.98Å; V272-V320 HydrophobicContact CG1-CG2 4.18Å; V272-V330 HydrophobicContact CG1-CG1 3.91Å; V272-V330 HydrophobicContact CG2-CG1 4.48Å; V272-L336 HydrophobicContact CG2-CD1 4.26Å
273A89.8Confident84.4Confident28 Ų2874.3 Ų74.323%0.23139%0.393CS..Hα-helixtrans-64.7-43.8179.300000112.3R269 S270 Q271 T276 A277 G319R269-A273 WeakPolarHBondContact O-CB 3.22Å; R269-A273 PolarHBondContact O-N 3.29Å; S270-A273 PolarHBondContact O-N 3.12Å; Q271-A273 VanDerWaalsContact C-N 3.34Å; Q271-A273 PolarHBondContact O-N 3.47Å; A273-T276 PolarHBondContact O-N 3.38Å; A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.02Å; A273-G319 WeakPolarHBondContact CB-O 3.25Å
274E90.9Very high85.8Confident125 Ų12570.3 Ų70.358%0.58437%0.37SS*.Hα-helixtrans-65.7-44177.4-76.1-178.5-172.600112.2S270 Q271 A277 R278S270-E274 WeakPolarHBondContact O-CB 3.39Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 3.36Å; Q271-E274 PolarHBondContact O-N 3.24Å; E274-A277 PolarHBondContact O-N 2.97Å; E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 2.87Å
275A91.1Very high87.2Confident1 Ų162.9 Ų62.91%0.00833%0.331CS..Hα-helixtrans-66.4-38.3175.300000111.5Q271 A277 R278 D279 P333 L336Q271-A275 VanDerWaalsContact O-CB 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.46Å; Q271-A275 PolarHBondContact O-N 3.39Å; A275-A277 VanDerWaalsContact C-N 3.29Å; A275-A277 PolarHBondContact O-N 3.44Å; A275-R278 PolarHBondContact O-N 2.86Å; A275-R278 VanDerWaalsContact O-N 3.14Å; A275-D279 WeakPolarHBondContact O-CB 3.35Å; A275-D279 PolarHBondContact O-N 2.82Å; A275-P333 HydrophobicContact CB-CB 3.81Å; A275-P333 HydrophobicContact CB-CG 3.76Å; A275-L336 HydrophobicContact CB-CD1 3.45Å; A275-L336 VanDerWaalsContact CB-CD1 3.45Å; A275-L336 HydrophobicContact CB-CG 3.86Å
276T91.5Very high88.5Confident3 Ų359.9 Ų59.92%0.01832%0.319CS..Hα-helixtrans-61.3-37.8173.6-62.20000111.6V272 A273 R278 D279 L282 L321 P333V272-T276 VanDerWaalsContact O-CB 3.22Å; V272-T276 WeakPolarHBondContact O-CB 3.46Å; V272-T276 PolarHBondContact O-N 2.99Å; V272-T276 PolarHBondContact O-OG1 3.29Å; A273-T276 PolarHBondContact O-N 3.38Å; T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.29Å; T276-D279 PolarHBondContact O-N 2.86Å; T276-L282 HydrophobicContact CG2-CB 3.97Å; T276-L321 HydrophobicContact CG2-CD1 4.17Å; T276-P333 VanDerWaalsContact OG1-CG 3.31Å; T276-P333 WeakPolarHBondContact OG1-CG 3.38Å
277A89.9Confident89.6Confident56 Ų5661.7 Ų61.746%0.46331%0.309SS..Hα-helixtrans-69.3-27177.700000113.2A273 E274 A275A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.02Å; E274-A277 PolarHBondContact O-N 2.97Å; A275-A277 VanDerWaalsContact C-N 3.29Å; A275-A277 PolarHBondContact O-N 3.44Å
278R91Very high90.6Very high149 Ų14960.6 Ų60.656%0.56230%0.301SS*.Hα-helixtrans-86.5-26.1176.3-69.3-173.9-74.6147-0.7113E274 A275 T276 P280 E335E274-R278 WeakPolarHBondContact O-CG 3.43Å; E274-R278 PolarHBondContact O-N 2.87Å; A275-R278 PolarHBondContact O-N 2.86Å; A275-R278 VanDerWaalsContact O-N 3.14Å; T276-R278 VanDerWaalsContact C-N 3.29Å; T276-R278 PolarHBondContact O-N 3.29Å; R278-P280 WeakPolarHBondContact O-CD 3.49Å; R278-E335 IonicContact CZ-OE1 3.65Å; R278-E335 IonicContact CZ-OE2 3.75Å; R278-E335 IonicContact NE-OE2 3.19Å; R278-E335 VanDerWaalsContact NH1-CD 3.27Å; R278-E335 IonicContact NH1-OE1 2.81Å; R278-E335 PolarHBondContact NH1-OE1 3.37Å; R278-E335 IonicContact NH1-OE2 3.21Å; R278-E335 PolarHBondContact NH1-OE2 3.21Å; R278-E335 IonicContact NH2-OE1 2.91Å; R278-E335 PolarHBondContact NH2-OE1 2.9Å; R278-E335 IonicContact NH2-OE2 2.72Å; R278-E335 PolarHBondContact NH2-OE2 3.02Å
279D92.5Very high91Very high21 Ų2159.2 Ų59.211%0.11229%0.294CS..  trans-72.8116.2178.5-173.4-45.1000111.3A275 T276 V281 L282 K283 P333 L334A275-D279 WeakPolarHBondContact O-CB 3.35Å; A275-D279 PolarHBondContact O-N 2.82Å; T276-D279 PolarHBondContact O-N 2.86Å; D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 2.94Å; D279-V281 WeakPolarHBondContact OD1-CA 3.42Å; D279-V281 WeakPolarHBondContact OD1-CB 3.42Å; D279-V281 PolarHBondContact OD1-N 2.86Å; D279-L282 HydrophobicContact CB-CB 4.03Å; D279-L282 HydrophobicContact CB-CD1 4.47Å; D279-L282 HydrophobicContact CB-CG 4.31Å; D279-L282 PolarHBondContact OD1-N 3.09Å; D279-K283 WeakPolarHBondContact O-CB 3.35Å; D279-K283 PolarHBondContact O-N 3.3Å; D279-P333 HydrophobicContact CB-CB 4.31Å; D279-L334 PolarHBondContact OD2-N 3.33Å
280P91.5Very high91.2Very high105 Ų10559.2 Ų59.268%0.68231%0.305SS*.Hα-helixtrans-65.2-30.8-176.525.9-33.4000113.2R278R278-P280 WeakPolarHBondContact O-CD 3.49Å
281V93.8Very high91.3Very high38 Ų3860.4 Ų60.423%0.2331%0.313CS..Hα-helixtrans-77-52.4-180179.50000109.2D279 K283 Q284 V285 E303 I304 Y307D279-V281 VanDerWaalsContact C-N 3.28Å; D279-V281 PolarHBondContact O-N 2.94Å; D279-V281 WeakPolarHBondContact OD1-CA 3.42Å; D279-V281 WeakPolarHBondContact OD1-CB 3.42Å; D279-V281 PolarHBondContact OD1-N 2.86Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.88Å; V281-Q284 WeakPolarHBondContact O-CB 3.41Å; V281-Q284 PolarHBondContact O-N 3.06Å; V281-V285 WeakPolarHBondContact O-CG2 3.31Å; V281-V285 PolarHBondContact O-N 2.94Å; V281-E303 HydrophobicContact CG1-CB 4.44Å; V281-E303 HydrophobicContact CG2-CB 4.07Å; V281-I304 HydrophobicContact CB-CD1 4.39Å; V281-I304 HydrophobicContact CG1-CD1 3.57Å; V281-I304 WeakPolarHBondContact O-CD1 3.48Å; V281-Y307 HydrophobicContact CG1-CD2 4.42Å; V281-Y307 HydrophobicContact CG1-CE2 3.81Å
282L93.7Very high91.3Very high0 Ų059.7 Ų59.70%032%0.322CS..Hα-helixtrans-69-30-177.5-63.9-173.6000112.9T276 D279 Q284 V285 L286 Y307 L321 I331 P333T276-L282 HydrophobicContact CG2-CB 3.97Å; D279-L282 HydrophobicContact CB-CB 4.03Å; D279-L282 HydrophobicContact CB-CD1 4.47Å; D279-L282 HydrophobicContact CB-CG 4.31Å; D279-L282 PolarHBondContact OD1-N 3.09Å; L282-Q284 VanDerWaalsContact C-N 3.25Å; L282-Q284 PolarHBondContact O-N 3.5Å; L282-V285 HydrophobicContact CD2-CG2 4.49Å; L282-V285 PolarHBondContact O-N 3.28Å; L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 PolarHBondContact O-N 3.35Å; L282-Y307 HydrophobicContact CD2-CE1 3.82Å; L282-L321 HydrophobicContact CB-CD1 4.16Å; L282-L321 HydrophobicContact CD2-CD1 4.25Å; L282-I331 HydrophobicContact CD1-CG2 4.25Å; L282-I331 HydrophobicContact CD2-CG2 3.67Å; L282-P333 VanDerWaalsContact CD1-CA 3.49Å; L282-P333 HydrophobicContact CD1-CB 3.94Å; L282-P333 HydrophobicContact CD1-CG 3.79Å
283K92.7Very high91.4Very high131 Ų13161.1 Ų61.157%0.5733%0.326SS*.Hα-helixtrans-60-38.2170.2-172.5176-170.3166.10112D279 V281 R287D279-K283 WeakPolarHBondContact O-CB 3.35Å; D279-K283 PolarHBondContact O-N 3.3Å; V281-K283 VanDerWaalsContact C-N 3.31Å; V281-K283 PolarHBondContact O-N 2.88Å; K283-R287 PolarHBondContact O-N 2.96Å; K283-R287 VanDerWaalsContact O-N 3.08Å
284Q92.9Very high91.2Very high73 Ų7361.1 Ų61.134%0.34132%0.323SS..Hα-helixtrans-72.9-40.7175.7-169.6175.621.400111.8V281 L282 R287 F288 I304V281-Q284 WeakPolarHBondContact O-CB 3.41Å; V281-Q284 PolarHBondContact O-N 3.06Å; L282-Q284 VanDerWaalsContact C-N 3.25Å; L282-Q284 PolarHBondContact O-N 3.5Å; Q284-R287 WeakPolarHBondContact O-CB 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; Q284-F288 HydrophobicContact CG-CD2 4.1Å; Q284-F288 HydrophobicContact CG-CE2 3.52Å; Q284-F288 HydrophobicContact CG-CZ 4Å; Q284-F288 VanDerWaalsContact O-CD2 3.25Å; Q284-F288 WeakPolarHBondContact O-CD2 3.5Å; Q284-F288 WeakPolarHBondContact O-CG 3.5Å; Q284-F288 PolarHBondContact O-N 3.19Å; Q284-I304 HydrophobicContact CB-CD1 3.9Å; Q284-I304 HydrophobicContact CG-CD1 4.14Å; Q284-I304 HydrophobicContact CG-CG1 4.49Å
285V93.3Very high90.8Very high0 Ų063.7 Ų63.70%034%0.34CS..Hα-helixtrans-58.2-48.4172.1172.50000110.7V281 L282 R287 F288 V289 W293 I304 Y307 I314 L321V281-V285 WeakPolarHBondContact O-CG2 3.31Å; V281-V285 PolarHBondContact O-N 2.94Å; L282-V285 HydrophobicContact CD2-CG2 4.49Å; L282-V285 PolarHBondContact O-N 3.28Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.03Å; V285-F288 CarbonylContact O-C 3.6Å; V285-F288 WeakPolarHBondContact O-CA 3.37Å; V285-F288 PolarHBondContact O-N 3.32Å; V285-V289 HydrophobicContact CG1-CG2 4.13Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3Å; V285-W293 HydrophobicContact CB-CH2 4.41Å; V285-W293 HydrophobicContact CG1-CH2 3.87Å; V285-W293 HydrophobicContact CG1-CZ2 4.09Å; V285-W293 HydrophobicContact CG2-CH2 4.33Å; V285-I304 HydrophobicContact CG2-CD1 3.8Å; V285-I304 HydrophobicContact CG2-CG2 4.48Å; V285-Y307 HydrophobicContact CG1-CD1 4.31Å; V285-Y307 HydrophobicContact CG1-CG 4.44Å; V285-Y307 HydrophobicContact CG2-CD1 4.07Å; V285-Y307 HydrophobicContact CG2-CD2 3.73Å; V285-Y307 HydrophobicContact CG2-CE2 4.28Å; V285-Y307 HydrophobicContact CG2-CG 3.61Å; V285-I314 HydrophobicContact CG1-CG2 4.47Å; V285-L321 HydrophobicContact CB-CD1 4.29Å; V285-L321 HydrophobicContact CG1-CD1 3.94Å; V285-L321 HydrophobicContact CG1-CD2 4.35Å
286L93.3Very high90.5Very high41 Ų4166.3 Ų66.322%0.21536%0.358CS..Hα-helixtrans-57.6-43.3177.5177.860.3000111.9L282 F288 V289 T290 F316 L321L282-L286 VanDerWaalsContact O-CB 3.25Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 PolarHBondContact O-N 3.35Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.4Å; L286-V289 PolarHBondContact O-N 3.36Å; L286-T290 HydrophobicContact CD1-CG2 4.02Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 2.81Å; L286-T290 PolarHBondContact O-OG1 3Å; L286-F316 HydrophobicContact CD1-CB 4.29Å; L286-F316 HydrophobicContact CD1-CD1 4.07Å; L286-F316 HydrophobicContact CD1-CD2 3.2Å; L286-F316 HydrophobicContact CD1-CE1 4.16Å; L286-F316 HydrophobicContact CD1-CE2 3.3Å; L286-F316 HydrophobicContact CD1-CG 3.6Å; L286-F316 HydrophobicContact CD1-CZ 3.78Å; L286-F316 HydrophobicContact CD2-CE2 4.36Å; L286-F316 HydrophobicContact CG-CE2 4.46Å; L286-L321 HydrophobicContact CB-CD1 4.29Å; L286-L321 HydrophobicContact CB-CD2 4.45Å; L286-L321 HydrophobicContact CD1-CD2 4.07Å; L286-L321 HydrophobicContact CD1-CG 4.44Å
287R93Very high90.2Very high171 Ų17168.5 Ų68.565%0.64537%0.372SS*.Hα-helixtrans-59.3-43.1173.2-179.8-177.3165.6-166-3.8111.4K283 Q284 V285 T290 S291K283-R287 PolarHBondContact O-N 2.96Å; K283-R287 VanDerWaalsContact O-N 3.08Å; Q284-R287 WeakPolarHBondContact O-CB 3.46Å; Q284-R287 PolarHBondContact O-N 2.77Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.03Å; R287-T290 PolarHBondContact O-OG1 2.84Å; R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 3.12Å; R287-S291 PolarHBondContact O-OG 2.93Å
288F92.9Very high89.9Confident23 Ų2374.8 Ų74.810%0.10139%0.389CS..Hα-helixtrans-71.4-35.5179.8-67.4-44000113.5Q284 V285 L286 S291 A292 W293 P294 I304Q284-F288 HydrophobicContact CG-CD2 4.1Å; Q284-F288 HydrophobicContact CG-CE2 3.52Å; Q284-F288 HydrophobicContact CG-CZ 4Å; Q284-F288 VanDerWaalsContact O-CD2 3.25Å; Q284-F288 WeakPolarHBondContact O-CD2 3.5Å; Q284-F288 WeakPolarHBondContact O-CG 3.5Å; Q284-F288 PolarHBondContact O-N 3.19Å; V285-F288 CarbonylContact O-C 3.6Å; V285-F288 WeakPolarHBondContact O-CA 3.37Å; V285-F288 PolarHBondContact O-N 3.32Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.4Å; F288-S291 CarbonylContact O-C 3.52Å; F288-A292 WeakPolarHBondContact CD1-O 3.44Å; F288-A292 CarbonylContact O-C 3.43Å; F288-A292 PolarHBondContact O-N 3.34Å; F288-W293 HydrophobicContact CB-CD2 3.61Å; F288-W293 HydrophobicContact CB-CE3 3.69Å; F288-W293 HydrophobicContact CB-CG 4.1Å; F288-W293 HydrophobicContact CB-CH2 4.28Å; F288-W293 HydrophobicContact CB-CZ2 4.21Å; F288-W293 HydrophobicContact CB-CZ3 4.04Å; F288-W293 AromaticContact CD2-CE3 3.94Å; F288-W293 HydrophobicContact CD2-CE3 3.94Å; F288-W293 AromaticContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CG-CD2 4.4Å; F288-W293 HydrophobicContact CG-CE3 4.04Å; F288-W293 HydrophobicContact CG-CZ3 4.35Å; F288-P294 HydrophobicContact CD1-CG 4.36Å; F288-P294 HydrophobicContact CE1-CG 3.79Å; F288-P294 HydrophobicContact CZ-CG 3.89Å; F288-I304 HydrophobicContact CD2-CG2 4.22Å; F288-I304 HydrophobicContact CE2-CG2 4.1Å
289V91.1Very high89.5Confident34 Ų3471.2 Ų71.221%0.20639%0.391CS..Hα-helixtrans-66.4-39.8174.7174.40000111.4V285 L286 W293 I314 F316 L321V285-V289 HydrophobicContact CG1-CG2 4.13Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.17Å; V285-V289 PolarHBondContact O-N 3Å; L286-V289 PolarHBondContact O-N 3.36Å; V289-W293 HydrophobicContact CG2-CZ2 3.67Å; V289-I314 HydrophobicContact CG2-CB 4.43Å; V289-I314 HydrophobicContact CG2-CG2 3.65Å; V289-F316 HydrophobicContact CG1-CB 3.74Å; V289-L321 HydrophobicContact CB-CD2 4.36Å; V289-L321 HydrophobicContact CG1-CD2 4.48Å; V289-L321 HydrophobicContact CG2-CD2 4.05Å
290T87.9Confident89.3Confident90 Ų9070.7 Ų70.755%0.55239%0.389SS*.Hα-helixtrans-82.9-17.2-179.852.80000114L286 R287 F316L286-T290 HydrophobicContact CD1-CG2 4.02Å; L286-T290 WeakPolarHBondContact O-CB 3.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 2.81Å; L286-T290 PolarHBondContact O-OG1 3Å; R287-T290 PolarHBondContact O-OG1 2.84Å; T290-F316 HydrophobicContact CG2-CD1 4.04Å; T290-F316 HydrophobicContact CG2-CE1 4.46Å
291S88.2Confident89.3Confident84 Ų8467.7 Ų67.759%0.58737%0.373SS*.SBendtrans-115-105.717664.50000111.2R287 F288R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 3.12Å; R287-S291 PolarHBondContact O-OG 2.93Å; F288-S291 CarbonylContact O-C 3.52Å
292A86.1Confident89.1Confident70 Ų7071.3 Ų71.358%0.57939%0.387SS*.  trans-142.8138.4175.500000110F288F288-A292 WeakPolarHBondContact CD1-O 3.44Å; F288-A292 CarbonylContact O-C 3.43Å; F288-A292 PolarHBondContact O-N 3.34Å
293W91.3Very high89Confident41 Ų4177 Ų7716%0.15541%0.413CS..  trans-69.4142.2168.7-70.790.6000110.8V285 F288 V289 L295 I304 W308 R311 I314V285-W293 HydrophobicContact CB-CH2 4.41Å; V285-W293 HydrophobicContact CG1-CH2 3.87Å; V285-W293 HydrophobicContact CG1-CZ2 4.09Å; V285-W293 HydrophobicContact CG2-CH2 4.33Å; F288-W293 HydrophobicContact CB-CD2 3.61Å; F288-W293 HydrophobicContact CB-CE3 3.69Å; F288-W293 HydrophobicContact CB-CG 4.1Å; F288-W293 HydrophobicContact CB-CH2 4.28Å; F288-W293 HydrophobicContact CB-CZ2 4.21Å; F288-W293 HydrophobicContact CB-CZ3 4.04Å; F288-W293 AromaticContact CD2-CE3 3.94Å; F288-W293 HydrophobicContact CD2-CE3 3.94Å; F288-W293 AromaticContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CD2-CZ3 3.88Å; F288-W293 HydrophobicContact CG-CD2 4.4Å; F288-W293 HydrophobicContact CG-CE3 4.04Å; F288-W293 HydrophobicContact CG-CZ3 4.35Å; V289-W293 HydrophobicContact CG2-CZ2 3.67Å; W293-L295 PolarHBondContact O-N 3.38Å; W293-I304 HydrophobicContact CZ3-CG2 3.92Å; W293-W308 HydrophobicContact CE3-CB 4.36Å; W293-W308 AromaticContact CE3-CD1 3.89Å; W293-W308 HydrophobicContact CZ3-CB 4.25Å; W293-R311 HydrophobicContact CD2-CB 3.64Å; W293-R311 HydrophobicContact CE3-CB 4.26Å; W293-R311 HydrophobicContact CG-CB 3.8Å; W293-R311 HydrophobicContact CG-CG 4.42Å; W293-R311 HydrophobicContact CZ2-CB 4.08Å; W293-I314 HydrophobicContact CZ2-CD1 4.39Å
294P86.9Confident89Confident28 Ų2870.8 Ų70.818%0.18239%0.386CS..  trans-57.4140.2172.4-25.736.2000111.4F288 S296 A299 V300 W308F288-P294 HydrophobicContact CD1-CG 4.36Å; F288-P294 HydrophobicContact CE1-CG 3.79Å; F288-P294 HydrophobicContact CZ-CG 3.89Å; P294-S296 PolarHBondContact O-N 2.68Å; P294-A299 HydrophobicContact CB-CB 4Å; P294-V300 HydrophobicContact CB-CG2 3.89Å; P294-V300 HydrophobicContact CG-CG2 3.84Å; P294-W308 PolarHBondContact O-NE1 3.37Å
295L81.8Confident88.9Confident178 Ų17871.3 Ų71.393%0.93239%0.385SS*.SBendtrans-69.7-21.6-177.7-64.4175.5000113.3W293W293-L295 PolarHBondContact O-N 3.38Å
296S84.2Confident88.8Confident56 Ų5674.8 Ų74.839%0.39241%0.408SS..SBendtrans-121130.9-178.2177.70000110.4P294 K298 A299P294-S296 PolarHBondContact O-N 2.68Å; S296-K298 PolarHBondContact O-N 2.77Å; S296-K298 VanDerWaalsContact O-N 3.11Å; S296-K298 PolarHBondContact OG-N 3.22Å; S296-A299 WeakPolarHBondContact O-CB 3.41Å; S296-A299 PolarHBondContact O-N 3Å
297V85.7Confident88.7Confident49 Ų4975.4 Ų75.430%0.29741%0.408SS..G310 helixtrans-57.4-23.5172.570.70000112.6A299 V300 R305 W308V297-A299 PolarHBondContact O-N 3.47Å; V297-V300 WeakPolarHBondContact O-CB 3.46Å; V297-V300 PolarHBondContact O-N 3.07Å; V297-R305 HydrophobicContact CG2-CG 4Å; V297-W308 HydrophobicContact CB-CD2 4.2Å; V297-W308 HydrophobicContact CB-CE3 3.9Å; V297-W308 HydrophobicContact CB-CH2 4.03Å; V297-W308 HydrophobicContact CB-CZ2 4.31Å; V297-W308 HydrophobicContact CB-CZ3 3.82Å; V297-W308 HydrophobicContact CG2-CD2 4.3Å; V297-W308 HydrophobicContact CG2-CE3 3.88Å; V297-W308 HydrophobicContact CG2-CZ3 4.19Å
298K83.1Confident88.6Confident189 Ų18969 Ų6982%0.82238%0.383SS*.G310 helixtrans-70.5-20.6176.6-61.4-174.6178.6-176.70113.2S296S296-K298 PolarHBondContact O-N 2.77Å; S296-K298 VanDerWaalsContact O-N 3.11Å; S296-K298 PolarHBondContact OG-N 3.22Å
299A84.4Confident88.3Confident74 Ų7473.2 Ų73.261%0.61241%0.407SS*.G310 helixtrans-88.99.3177.100000112.4P294 S296 V297P294-A299 HydrophobicContact CB-CB 4Å; S296-A299 WeakPolarHBondContact O-CB 3.41Å; S296-A299 PolarHBondContact O-N 3Å; V297-A299 PolarHBondContact O-N 3.47Å
300V87.4Confident88.1Confident10 Ų1076.4 Ų76.46%0.06142%0.418CS..SBendtrans-120.8133.1-173.4-176.90000108.4P294 V297 I304 W308P294-V300 HydrophobicContact CB-CG2 3.89Å; P294-V300 HydrophobicContact CG-CG2 3.84Å; V297-V300 WeakPolarHBondContact O-CB 3.46Å; V297-V300 PolarHBondContact O-N 3.07Å; V300-I304 HydrophobicContact CG1-CB 3.4Å; V300-I304 HydrophobicContact CG1-CG2 3.37Å; V300-W308 HydrophobicContact CG1-CB 4.32Å; V300-W308 HydrophobicContact CG2-CG 4.16Å
301A91.1Very high88.2Confident42 Ų4275.8 Ų75.835%0.34741%0.406SS..  trans-62154.2174.900000111E303 I304 R305A301-E303 VanDerWaalsContact CB-OE2 3.25Å; A301-E303 WeakPolarHBondContact CB-OE2 3.25Å; A301-E303 PolarHBondContact O-N 3.24Å; A301-I304 HydrophobicContact CB-CG1 4.47Å; A301-I304 PolarHBondContact O-N 2.72Å; A301-R305 PolarHBondContact O-N 2.66Å
302E90Very high88.1Confident114 Ų11478.6 Ų78.653%0.53341%0.414SS..G310 helixtrans-56.2-38.9-175.3-70.2-66.1156.600112I304 R305E302-I304 PolarHBondContact O-N 2.74Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.24Å; E302-R305 IonicContact OE1-CZ 3.56Å; E302-R305 IonicContact OE1-NE 3.02Å; E302-R305 IonicContact OE1-NH1 3.71Å; E302-R305 PolarHBondContact OE1-NH1 2.68Å; E302-R305 IonicContact OE1-NH2 3.68Å; E302-R305 PolarHBondContact OE1-NH2 2.98Å; E302-R305 WeakPolarHBondContact OE2-CD 3.46Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 3.73Å; E302-R305 PolarHBondContact OE2-NE 2.79Å; E302-R305 IonicContact OE2-NH1 2.66Å; E302-R305 PolarHBondContact OE2-NH1 3.28Å; E302-R305 IonicContact OE2-NH2 3.98Å
303E92Very high88.2Confident119 Ų11977.8 Ų77.856%0.55640%0.402SS*.G310 helixtrans-66.4-25-177.9-52.776.1-16500112.3V281 A301V281-E303 HydrophobicContact CG1-CB 4.44Å; V281-E303 HydrophobicContact CG2-CB 4.07Å; A301-E303 VanDerWaalsContact CB-OE2 3.25Å; A301-E303 WeakPolarHBondContact CB-OE2 3.25Å; A301-E303 PolarHBondContact O-N 3.24Å
304I92.8Very high88.2Confident0 Ų076.5 Ų76.50%040%0.398CS..G310 helixtrans-93.3-17-178.4-56.3-72.6000111.6V281 Q284 V285 F288 W293 V300 A301 E302 P306 Y307 W308V281-I304 HydrophobicContact CB-CD1 4.39Å; V281-I304 HydrophobicContact CG1-CD1 3.57Å; V281-I304 WeakPolarHBondContact O-CD1 3.48Å; Q284-I304 HydrophobicContact CB-CD1 3.9Å; Q284-I304 HydrophobicContact CG-CD1 4.14Å; Q284-I304 HydrophobicContact CG-CG1 4.49Å; V285-I304 HydrophobicContact CG2-CD1 3.8Å; V285-I304 HydrophobicContact CG2-CG2 4.48Å; F288-I304 HydrophobicContact CD2-CG2 4.22Å; F288-I304 HydrophobicContact CE2-CG2 4.1Å; W293-I304 HydrophobicContact CZ3-CG2 3.92Å; V300-I304 HydrophobicContact CG1-CB 3.4Å; V300-I304 HydrophobicContact CG1-CG2 3.37Å; A301-I304 HydrophobicContact CB-CG1 4.47Å; A301-I304 PolarHBondContact O-N 2.72Å; E302-I304 PolarHBondContact O-N 2.74Å; I304-P306 VanDerWaalsContact C-CD 3.4Å; I304-Y307 PolarHBondContact O-N 3.11Å; I304-W308 PolarHBondContact O-N 3.39Å
305R90Very high88.2Confident85 Ų8575.9 Ų75.932%0.32140%0.397SS..Hα-helixtrans-53.1-42-178.8-71.2-174.5175.3170.24.6114.5V297 A301 E302 Y307 W308 N309V297-R305 HydrophobicContact CG2-CG 4Å; A301-R305 PolarHBondContact O-N 2.66Å; E302-R305 WeakPolarHBondContact O-CB 3.5Å; E302-R305 PolarHBondContact O-N 3.24Å; E302-R305 IonicContact OE1-CZ 3.56Å; E302-R305 IonicContact OE1-NE 3.02Å; E302-R305 IonicContact OE1-NH1 3.71Å; E302-R305 PolarHBondContact OE1-NH1 2.68Å; E302-R305 IonicContact OE1-NH2 3.68Å; E302-R305 PolarHBondContact OE1-NH2 2.98Å; E302-R305 WeakPolarHBondContact OE2-CD 3.46Å; E302-R305 IonicContact OE2-CZ 3.72Å; E302-R305 IonicContact OE2-NE 3.73Å; E302-R305 PolarHBondContact OE2-NE 2.79Å; E302-R305 IonicContact OE2-NH1 2.66Å; E302-R305 PolarHBondContact OE2-NH1 3.28Å; E302-R305 IonicContact OE2-NH2 3.98Å; R305-Y307 PolarHBondContact O-N 3.27Å; R305-W308 PolarHBondContact O-N 3.39Å; R305-N309 VanDerWaalsContact O-CG 3.31Å; R305-N309 PolarHBondContact O-N 3.05Å; R305-N309 PolarHBondContact O-ND2 3.02Å
306P90.6Very high88.6Confident73 Ų7371.6 Ų71.647%0.47437%0.371SS..Hα-helixtrans-57.7-38.1177.6-2535.5000112.6I304I304-P306 VanDerWaalsContact C-CD 3.4Å
307Y92.6Very high88.6Confident54 Ų5471.4 Ų71.421%0.21236%0.364CS..Hα-helixtrans-76.7-38.5177.6-54.5-85.5000111.7V281 L282 V285 I304 R305 N309 K310 R311 I314 I331V281-Y307 HydrophobicContact CG1-CD2 4.42Å; V281-Y307 HydrophobicContact CG1-CE2 3.81Å; L282-Y307 HydrophobicContact CD2-CE1 3.82Å; V285-Y307 HydrophobicContact CG1-CD1 4.31Å; V285-Y307 HydrophobicContact CG1-CG 4.44Å; V285-Y307 HydrophobicContact CG2-CD1 4.07Å; V285-Y307 HydrophobicContact CG2-CD2 3.73Å; V285-Y307 HydrophobicContact CG2-CE2 4.28Å; V285-Y307 HydrophobicContact CG2-CG 3.61Å; I304-Y307 PolarHBondContact O-N 3.11Å; R305-Y307 PolarHBondContact O-N 3.27Å; Y307-N309 VanDerWaalsContact C-N 3.31Å; Y307-N309 PolarHBondContact O-N 3.22Å; Y307-K310 CarbonylContact O-C 3.28Å; Y307-K310 VanDerWaalsContact O-C 3.28Å; Y307-K310 WeakPolarHBondContact O-CA 3.4Å; Y307-K310 PolarHBondContact O-N 3.29Å; Y307-R311 WeakPolarHBondContact O-CA 3.43Å; Y307-R311 PolarHBondContact O-N 3.26Å; Y307-I314 HydrophobicContact CD1-CD1 4.03Å; Y307-I314 HydrophobicContact CG-CD1 4.45Å; Y307-I314 WeakPolarHBondContact O-CD1 3.27Å; Y307-I331 HydrophobicContact CD1-CD1 4.4Å; Y307-I331 HydrophobicContact CE1-CD1 4.43Å; Y307-I331 HydrophobicContact CE1-CG2 3.8Å
308W91.2Very high88.4Confident35 Ų3572.6 Ų72.613%0.13337%0.365CS..Hα-helixtrans-60.9-39.4176.2-173.690.5000112.5W293 P294 V297 V300 I304 R305 K310 R311W293-W308 HydrophobicContact CE3-CB 4.36Å; W293-W308 AromaticContact CE3-CD1 3.89Å; W293-W308 HydrophobicContact CZ3-CB 4.25Å; P294-W308 PolarHBondContact O-NE1 3.37Å; V297-W308 HydrophobicContact CB-CD2 4.2Å; V297-W308 HydrophobicContact CB-CE3 3.9Å; V297-W308 HydrophobicContact CB-CH2 4.03Å; V297-W308 HydrophobicContact CB-CZ2 4.31Å; V297-W308 HydrophobicContact CB-CZ3 3.82Å; V297-W308 HydrophobicContact CG2-CD2 4.3Å; V297-W308 HydrophobicContact CG2-CE3 3.88Å; V297-W308 HydrophobicContact CG2-CZ3 4.19Å; V300-W308 HydrophobicContact CG1-CB 4.32Å; V300-W308 HydrophobicContact CG2-CG 4.16Å; I304-W308 PolarHBondContact O-N 3.39Å; R305-W308 PolarHBondContact O-N 3.39Å; W308-K310 PolarHBondContact O-N 3.26Å; W308-R311 WeakPolarHBondContact O-CB 3.39Å; W308-R311 WeakPolarHBondContact O-CD 3.4Å; W308-R311 VanDerWaalsContact O-CG 3.27Å; W308-R311 WeakPolarHBondContact O-CG 3.36Å; W308-R311 PolarHBondContact O-N 3.22Å; W308-R311 PolarHBondContact O-NH1 3.39Å
309N85.8Confident88.4Confident112 Ų11264.7 Ų64.760%0.59934%0.338SS*.Hα-helixtrans-62.4-28175.2-70.6-21.8000112.3R305 Y307R305-N309 VanDerWaalsContact O-CG 3.31Å; R305-N309 PolarHBondContact O-N 3.05Å; R305-N309 PolarHBondContact O-ND2 3.02Å; Y307-N309 VanDerWaalsContact C-N 3.31Å; Y307-N309 PolarHBondContact O-N 3.22Å
310K87.9Confident88.6Confident102 Ų10261.3 Ų61.344%0.44331%0.309SS..THydrogen-bonded Turntrans-106.18.3-178.3-69.6173.6174.2-172.90113.3Y307 W308 N312 V313 I314 Y323Y307-K310 CarbonylContact O-C 3.28Å; Y307-K310 VanDerWaalsContact O-C 3.28Å; Y307-K310 WeakPolarHBondContact O-CA 3.4Å; Y307-K310 PolarHBondContact O-N 3.29Å; W308-K310 PolarHBondContact O-N 3.26Å; K310-N312 PolarHBondContact O-N 2.58Å; K310-V313 HydrophobicContact CB-CG2 4.07Å; K310-V313 WeakPolarHBondContact O-CG2 3.45Å; K310-V313 PolarHBondContact O-N 3.22Å; K310-I314 HydrophobicContact CB-CD1 4.07Å; K310-I314 HydrophobicContact CB-CG1 4.35Å; K310-I314 WeakPolarHBondContact O-CG1 3.38Å; K310-I314 PolarHBondContact O-N 2.94Å; K310-Y323 HydrophobicContact CB-CE2 3.96Å; K310-Y323 HydrophobicContact CD-CD2 4.46Å; K310-Y323 HydrophobicContact CD-CE2 3.62Å; K310-Y323 HydrophobicContact CG-CE2 3.97Å
311R90Very high88.7Confident76 Ų7660.9 Ų60.929%0.28731%0.306SS..G310 helixtrans-53.4-31.3-169.267.7-170.5178.2-77.9-2.2115.4W293 Y307 W308 V313 I314W293-R311 HydrophobicContact CD2-CB 3.64Å; W293-R311 HydrophobicContact CE3-CB 4.26Å; W293-R311 HydrophobicContact CG-CB 3.8Å; W293-R311 HydrophobicContact CG-CG 4.42Å; W293-R311 HydrophobicContact CZ2-CB 4.08Å; Y307-R311 WeakPolarHBondContact O-CA 3.43Å; Y307-R311 PolarHBondContact O-N 3.26Å; W308-R311 WeakPolarHBondContact O-CB 3.39Å; W308-R311 WeakPolarHBondContact O-CD 3.4Å; W308-R311 VanDerWaalsContact O-CG 3.27Å; W308-R311 WeakPolarHBondContact O-CG 3.36Å; W308-R311 PolarHBondContact O-N 3.22Å; W308-R311 PolarHBondContact O-NH1 3.39Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3.44Å; R311-I314 PolarHBondContact O-N 3.06Å
312N85.9Confident88.7Confident143 Ų14359 Ų5977%0.76529%0.29SS*.G310 helixtrans-74.3-17.1-177.4-63.5-23.2000113.3K310K310-N312 PolarHBondContact O-N 2.58Å
313V88.1Confident88.5Confident53 Ų5356.3 Ų56.332%0.32128%0.276SS..G310 helixtrans-1123.7179.3-69.20000111.6K310 R311 Y323 K324K310-V313 HydrophobicContact CB-CG2 4.07Å; K310-V313 WeakPolarHBondContact O-CG2 3.45Å; K310-V313 PolarHBondContact O-N 3.22Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3.44Å; V313-Y323 HydrophobicContact CB-CE2 4.3Å; V313-Y323 HydrophobicContact CG2-CD2 3.85Å; V313-Y323 HydrophobicContact CG2-CE2 3.33Å; V313-K324 VanDerWaalsContact CB-O 3.27Å; V313-K324 WeakPolarHBondContact CB-O 3.46Å; V313-K324 WeakPolarHBondContact CG1-O 3.25Å; V313-K324 PolarHBondContact O-N 2.98Å
314I90.1Very high87.8Confident15 Ų1554.2 Ų54.28%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-95.8123174.9-61.3169.7000108.8V285 V289 W293 Y307 K310 R311 L321 L322 Y323 I331V285-I314 HydrophobicContact CG1-CG2 4.47Å; V289-I314 HydrophobicContact CG2-CB 4.43Å; V289-I314 HydrophobicContact CG2-CG2 3.65Å; W293-I314 HydrophobicContact CZ2-CD1 4.39Å; Y307-I314 HydrophobicContact CD1-CD1 4.03Å; Y307-I314 HydrophobicContact CG-CD1 4.45Å; Y307-I314 WeakPolarHBondContact O-CD1 3.27Å; K310-I314 HydrophobicContact CB-CD1 4.07Å; K310-I314 HydrophobicContact CB-CG1 4.35Å; K310-I314 WeakPolarHBondContact O-CG1 3.38Å; K310-I314 PolarHBondContact O-N 2.94Å; R311-I314 PolarHBondContact O-N 3.06Å; I314-L321 HydrophobicContact CG2-CD2 4.33Å; I314-L322 CarbonylContact C-O 3.53Å; I314-L322 VanDerWaalsContact CA-O 3.3Å; I314-L322 WeakPolarHBondContact CA-O 3.22Å; I314-Y323 HydrophobicContact CG1-CD2 4.29Å; I314-I331 HydrophobicContact CD1-CD1 4.32Å; I314-I331 HydrophobicContact CG1-CD1 4.12Å; I314-I331 HydrophobicContact CG2-CD1 3.83Å
315G88.4Confident86.9Confident15 Ų1557.4 Ų57.416%0.15529%0.285CS..EExtended strand (participates in β ladder)trans-118.1173.2174.800000112.3L321 L322G315-L321 WeakPolarHBondContact O-CA 3.37Å; G315-L322 PolarHBondContact N-O 3.08Å; G315-L322 PolarHBondContact O-N 3.38Å
316F89.8Confident85.9Confident87 Ų8760.1 Ų60.138%0.38230%0.301SS..EExtended strand (participates in β ladder)trans-132.2128.2173.2176.4-113.1000109.1L286 V289 T290 G319 V320 L321L286-F316 HydrophobicContact CD1-CB 4.29Å; L286-F316 HydrophobicContact CD1-CD1 4.07Å; L286-F316 HydrophobicContact CD1-CD2 3.2Å; L286-F316 HydrophobicContact CD1-CE1 4.16Å; L286-F316 HydrophobicContact CD1-CE2 3.3Å; L286-F316 HydrophobicContact CD1-CG 3.6Å; L286-F316 HydrophobicContact CD1-CZ 3.78Å; L286-F316 HydrophobicContact CD2-CE2 4.36Å; L286-F316 HydrophobicContact CG-CE2 4.46Å; V289-F316 HydrophobicContact CG1-CB 3.74Å; T290-F316 HydrophobicContact CG2-CD1 4.04Å; T290-F316 HydrophobicContact CG2-CE1 4.46Å; F316-G319 VanDerWaalsContact CE2-CA 3.47Å; F316-V320 WeakPolarHBondContact CA-O 3.43Å; F316-V320 WeakPolarHBondContact CD2-O 3.11Å; F316-L321 HydrophobicContact CB-CD2 4.34Å; F316-L321 HydrophobicContact CD2-CD2 4.27Å; F316-L321 HydrophobicContact CD2-CG 4.5Å
317Q83.7Confident84.8Confident52 Ų5260.8 Ų60.824%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-150.7132-175-172.5162.2-11.500109.9D257 L260 G319 V320 L322D257-Q317 PolarHBondContact OD1-NE2 2.93Å; L260-Q317 HydrophobicContact CD1-CG 4.16Å; Q317-G319 PolarHBondContact O-N 2.76Å; Q317-V320 PolarHBondContact N-O 2.76Å; Q317-V320 PolarHBondContact O-N 3.39Å; Q317-L322 HydrophobicContact CB-CD1 3.75Å; Q317-L322 HydrophobicContact CG-CD1 4.48Å
318K80.8Confident83.9Confident74 Ų7459.5 Ų59.532%0.32229%0.293SS..THydrogen-bonded Turntrans46.537.6179.9-58.8-175.8177-176.70114.7D257 L260 D261 R269D257-K318 PolarHBondContact O-NZ 3.24Å; D257-K318 VanDerWaalsContact OD1-CE 3.27Å; D257-K318 WeakPolarHBondContact OD1-CE 3.39Å; D257-K318 IonicContact OD1-NZ 3.29Å; L260-K318 HydrophobicContact CB-CD 4.18Å; L260-K318 HydrophobicContact CD1-CD 4.1Å; L260-K318 HydrophobicContact CD1-CG 4.48Å; D261-K318 IonicContact OD1-NZ 3.61Å; D261-K318 IonicContact OD2-NZ 3.74Å; D261-K318 PolarHBondContact OD2-NZ 3.36Å; R269-K318 VanDerWaalsContact CD-O 3.28Å; R269-K318 WeakPolarHBondContact CD-O 3.44Å; R269-K318 PolarHBondContact NH1-O 2.93Å
319G83.2Confident83.4Confident24 Ų2464 Ų6425%0.24731%0.31CS..THydrogen-bonded Turntrans86.61.5179.800000115.3A273 F316 Q317A273-G319 WeakPolarHBondContact CB-O 3.25Å; F316-G319 VanDerWaalsContact CE2-CA 3.47Å; Q317-G319 PolarHBondContact O-N 2.76Å
320V88.6Confident83.5Confident2 Ų260.9 Ų60.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-118.9138.2-176.6-179.60000111R269 V272 F316 Q317 L322 V330R269-V320 HydrophobicContact CG-CG2 3.59Å; V272-V320 HydrophobicContact CB-CG2 4.37Å; V272-V320 HydrophobicContact CG1-CG1 3.98Å; V272-V320 HydrophobicContact CG1-CG2 4.18Å; F316-V320 WeakPolarHBondContact CA-O 3.43Å; F316-V320 WeakPolarHBondContact CD2-O 3.11Å; Q317-V320 PolarHBondContact N-O 2.76Å; Q317-V320 PolarHBondContact O-N 3.39Å; V320-L322 HydrophobicContact CG1-CD2 4.18Å; V320-V330 HydrophobicContact CG1-CB 4.33Å; V320-V330 HydrophobicContact CG1-CG1 3.63Å; V320-V330 HydrophobicContact CG1-CG2 4.03Å
321L91.2Very high83.6Confident1 Ų157 Ų571%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-80.1126.5170.4-76.8171.5000109.8T276 L282 V285 L286 V289 I314 G315 F316 I331T276-L321 HydrophobicContact CG2-CD1 4.17Å; L282-L321 HydrophobicContact CB-CD1 4.16Å; L282-L321 HydrophobicContact CD2-CD1 4.25Å; V285-L321 HydrophobicContact CB-CD1 4.29Å; V285-L321 HydrophobicContact CG1-CD1 3.94Å; V285-L321 HydrophobicContact CG1-CD2 4.35Å; L286-L321 HydrophobicContact CB-CD1 4.29Å; L286-L321 HydrophobicContact CB-CD2 4.45Å; L286-L321 HydrophobicContact CD1-CD2 4.07Å; L286-L321 HydrophobicContact CD1-CG 4.44Å; V289-L321 HydrophobicContact CB-CD2 4.36Å; V289-L321 HydrophobicContact CG1-CD2 4.48Å; V289-L321 HydrophobicContact CG2-CD2 4.05Å; I314-L321 HydrophobicContact CG2-CD2 4.33Å; G315-L321 WeakPolarHBondContact O-CA 3.37Å; F316-L321 HydrophobicContact CB-CD2 4.34Å; F316-L321 HydrophobicContact CD2-CD2 4.27Å; F316-L321 HydrophobicContact CD2-CG 4.5Å; L321-I331 HydrophobicContact CB-CB 3.95Å; L321-I331 HydrophobicContact CB-CD1 4.22Å; L321-I331 HydrophobicContact CB-CG1 4.34Å; L321-I331 PolarHBondContact O-N 2.83Å
322L89.3Confident83.6Confident2 Ų255.9 Ų55.91%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-114138.6-178-63.5177.5000111I314 G315 Q317 V320 K324 R329 V330I314-L322 CarbonylContact C-O 3.53Å; I314-L322 VanDerWaalsContact CA-O 3.3Å; I314-L322 WeakPolarHBondContact CA-O 3.22Å; G315-L322 PolarHBondContact N-O 3.08Å; G315-L322 PolarHBondContact O-N 3.38Å; Q317-L322 HydrophobicContact CB-CD1 3.75Å; Q317-L322 HydrophobicContact CG-CD1 4.48Å; V320-L322 HydrophobicContact CG1-CD2 4.18Å; L322-K324 HydrophobicContact CB-CG 4.19Å; L322-R329 CarbonylContact C-O 3.57Å; L322-R329 VanDerWaalsContact CA-O 3.29Å; L322-R329 WeakPolarHBondContact CA-O 3.47Å; L322-V330 HydrophobicContact CD2-CG2 4.12Å
323Y85.6Confident83.8Confident58 Ų5849 Ų4923%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-100.2104.3166.3-177.4-119.5000108.6K310 V313 I314 T325 R329K310-Y323 HydrophobicContact CB-CE2 3.96Å; K310-Y323 HydrophobicContact CD-CD2 4.46Å; K310-Y323 HydrophobicContact CD-CE2 3.62Å; K310-Y323 HydrophobicContact CG-CE2 3.97Å; V313-Y323 HydrophobicContact CB-CE2 4.3Å; V313-Y323 HydrophobicContact CG2-CD2 3.85Å; V313-Y323 HydrophobicContact CG2-CE2 3.33Å; I314-Y323 HydrophobicContact CG1-CD2 4.29Å; Y323-T325 HydrophobicContact CD1-CG2 3.85Å; Y323-T325 HydrophobicContact CE1-CG2 3.29Å; Y323-T325 HydrophobicContact CE2-CG2 4.26Å; Y323-R329 PolarHBondContact N-O 3.14Å; Y323-R329 PolarHBondContact O-N 3.29Å
324K77.8Confident83.8Confident76 Ų7652.5 Ų52.533%0.3326%0.26SS..EExtended strand (participates in β ladder)trans-94.898.7-171.6-55.5-164.3171.3-163.70110.2V313 L322 N328V313-K324 VanDerWaalsContact CB-O 3.27Å; V313-K324 WeakPolarHBondContact CB-O 3.46Å; V313-K324 WeakPolarHBondContact CG1-O 3.25Å; V313-K324 PolarHBondContact O-N 2.98Å; L322-K324 HydrophobicContact CB-CG 4.19Å; K324-N328 WeakPolarHBondContact CG-OD1 3.44Å
325T74.7Confident83.6Confident67 Ų6757.3 Ų57.341%0.41128%0.282SS..SBendtrans-109.6-131.1174.2540000109.3Y323 F327Y323-T325 HydrophobicContact CD1-CG2 3.85Å; Y323-T325 HydrophobicContact CE1-CG2 3.29Å; Y323-T325 HydrophobicContact CE2-CG2 4.26Å; T325-F327 PolarHBondContact N-O 3.46Å; T325-F327 VanDerWaalsContact N-O 3.09Å; T325-F327 PolarHBondContact OG1-O 2.85Å; T325-F327 VanDerWaalsContact OG1-O 3.13Å
326E67.8Low83.4Confident141 Ų14159 Ų5966%0.65929%0.287SS*.SBendtrans-68.8-25.7166.3-61.2-178.2164.100111.2
327F68.9Low83.1Confident87 Ų8759.6 Ų59.638%0.38229%0.291SS..SBendtrans-127.7150.5171.9-49.1-84.8000109.7T325T325-F327 PolarHBondContact N-O 3.46Å; T325-F327 VanDerWaalsContact N-O 3.09Å; T325-F327 PolarHBondContact OG1-O 2.85Å; T325-F327 VanDerWaalsContact OG1-O 3.13Å
328N73.2Confident82.2Confident27 Ų2766.4 Ų66.414%0.14432%0.323CS..EExtended strand (participates in β ladder)trans-73.3130.3169.5-68.1-39.4000109L255 K324L255-N328 HydrophobicContact CB-CB 3.61Å; L255-N328 VanDerWaalsContact CD1-O 3.22Å; L255-N328 WeakPolarHBondContact CD1-O 3.5Å; L255-N328 PolarHBondContact O-ND2 3.39Å; K324-N328 WeakPolarHBondContact CG-OD1 3.44Å
329R81.6Confident80.4Confident129 Ų12976.3 Ų76.349%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-126.1143.7174.9-60.9-177.7-176.9-174.40.7110.2L322 Y323L322-R329 CarbonylContact C-O 3.57Å; L322-R329 VanDerWaalsContact CA-O 3.29Å; L322-R329 WeakPolarHBondContact CA-O 3.47Å; Y323-R329 PolarHBondContact N-O 3.14Å; Y323-R329 PolarHBondContact O-N 3.29Å
330V86.1Confident80.3Confident48 Ų4879 Ų7929%0.29137%0.372SS..EExtended strand (participates in β ladder)trans-77.9132.9176.3174.50000110.1L255 V272 V320 L322 V332L255-V330 HydrophobicContact CD1-CG2 4.03Å; V272-V330 HydrophobicContact CG1-CG1 3.91Å; V272-V330 HydrophobicContact CG2-CG1 4.48Å; V320-V330 HydrophobicContact CG1-CB 4.33Å; V320-V330 HydrophobicContact CG1-CG1 3.63Å; V320-V330 HydrophobicContact CG1-CG2 4.03Å; L322-V330 HydrophobicContact CD2-CG2 4.12Å; V330-V332 HydrophobicContact CG1-CG2 4.21Å; V330-V332 PolarHBondContact O-N 2.9Å
331I90.8Very high79.8Confident19 Ų1983 Ų8310%0.09739%0.391CS..  trans-82.1102.3168.5-59.2-176000107.5L282 Y307 I314 L321L282-I331 HydrophobicContact CD1-CG2 4.25Å; L282-I331 HydrophobicContact CD2-CG2 3.67Å; Y307-I331 HydrophobicContact CD1-CD1 4.4Å; Y307-I331 HydrophobicContact CE1-CD1 4.43Å; Y307-I331 HydrophobicContact CE1-CG2 3.8Å; I314-I331 HydrophobicContact CD1-CD1 4.32Å; I314-I331 HydrophobicContact CG1-CD1 4.12Å; I314-I331 HydrophobicContact CG2-CD1 3.83Å; L321-I331 HydrophobicContact CB-CB 3.95Å; L321-I331 HydrophobicContact CB-CD1 4.22Å; L321-I331 HydrophobicContact CB-CG1 4.34Å; L321-I331 PolarHBondContact O-N 2.83Å
332V90.1Very high79.2Confident53 Ų5387.6 Ų87.632%0.32141%0.413SS..  trans-80.3126.5-173.9-174.90000110.9V330 L336 Q337V330-V332 HydrophobicContact CG1-CG2 4.21Å; V330-V332 PolarHBondContact O-N 2.9Å; V332-L336 HydrophobicContact CG1-CB 3.61Å; V332-Q337 HydrophobicContact CB-CG 4.3Å; V332-Q337 HydrophobicContact CG1-CG 4.02Å; V332-Q337 PolarHBondContact O-NE2 2.72Å
333P90.5Very high78.6Confident0 Ų092.6 Ų92.60%044%0.436CS..  trans-58150.1172.7-25.234.7000113.5A275 T276 D279 L282 E335 L336 Q337A275-P333 HydrophobicContact CB-CB 3.81Å; A275-P333 HydrophobicContact CB-CG 3.76Å; T276-P333 VanDerWaalsContact OG1-CG 3.31Å; T276-P333 WeakPolarHBondContact OG1-CG 3.38Å; D279-P333 HydrophobicContact CB-CB 4.31Å; L282-P333 VanDerWaalsContact CD1-CA 3.49Å; L282-P333 HydrophobicContact CD1-CB 3.94Å; L282-P333 HydrophobicContact CD1-CG 3.79Å; P333-E335 PolarHBondContact O-N 3.43Å; P333-E335 VanDerWaalsContact O-N 3.12Å; P333-L336 HydrophobicContact CG-CD1 4.24Å; P333-L336 PolarHBondContact O-N 3.33Å; P333-Q337 PolarHBondContact O-N 2.85Å
334L87.2Confident78.2Confident126 Ų12694.8 Ų94.866%0.6645%0.449SS*.G310 helixtrans-57.3-33.3-175.5-169.571.4000113.1D279 L336 Q337D279-L334 PolarHBondContact OD2-N 3.33Å; L334-L336 PolarHBondContact O-N 3.45Å; L334-Q337 PolarHBondContact O-N 3.21Å
335E86.6Confident78.2Confident116 Ų11696 Ų9654%0.54246%0.457SS..G310 helixtrans-63.3-28.4177.2-174.1179.416800113.5R278 P333R278-E335 IonicContact CZ-OE1 3.65Å; R278-E335 IonicContact CZ-OE2 3.75Å; R278-E335 IonicContact NE-OE2 3.19Å; R278-E335 VanDerWaalsContact NH1-CD 3.27Å; R278-E335 IonicContact NH1-OE1 2.81Å; R278-E335 PolarHBondContact NH1-OE1 3.37Å; R278-E335 IonicContact NH1-OE2 3.21Å; R278-E335 PolarHBondContact NH1-OE2 3.21Å; R278-E335 IonicContact NH2-OE1 2.91Å; R278-E335 PolarHBondContact NH2-OE1 2.9Å; R278-E335 IonicContact NH2-OE2 2.72Å; R278-E335 PolarHBondContact NH2-OE2 3.02Å; P333-E335 PolarHBondContact O-N 3.43Å; P333-E335 VanDerWaalsContact O-N 3.12Å
336L84.9Confident78.4Confident49 Ų4998.1 Ų98.126%0.25746%0.461SS..G310 helixtrans-101-0.1-176.7-66.2171.1000112.9V267 V272 A275 V332 P333 L334 E338V267-L336 HydrophobicContact CG1-CD1 3.85Å; V267-L336 HydrophobicContact CG1-CD2 4.1Å; V267-L336 HydrophobicContact CG2-CD2 4.46Å; V272-L336 HydrophobicContact CG2-CD1 4.26Å; A275-L336 HydrophobicContact CB-CD1 3.45Å; A275-L336 VanDerWaalsContact CB-CD1 3.45Å; A275-L336 HydrophobicContact CB-CG 3.86Å; V332-L336 HydrophobicContact CG1-CB 3.61Å; P333-L336 HydrophobicContact CG-CD1 4.24Å; P333-L336 PolarHBondContact O-N 3.33Å; L334-L336 PolarHBondContact O-N 3.45Å; L336-E338 PolarHBondContact O-N 2.91Å
337Q82Confident79.2Confident100 Ų10094.8 Ų94.847%0.46745%0.445SS..SBendtrans-82.4104.2171-65.3173.422.200107.2V332 P333 L334V332-Q337 HydrophobicContact CB-CG 4.3Å; V332-Q337 HydrophobicContact CG1-CG 4.02Å; V332-Q337 PolarHBondContact O-NE2 2.72Å; P333-Q337 PolarHBondContact O-N 2.85Å; L334-Q337 PolarHBondContact O-N 3.21Å
338E64.9Low80.1Confident196 Ų19695.4 Ų95.492%0.91645%0.451SS*.  trans-54.9141.6172.3-78.6-172.8153.300110.6L336L336-E338 PolarHBondContact O-N 2.91Å
339K43.5Very low80.7Confident282 Ų282101.6 Ų101.6100%1.22648%0.479SS*.  trans-83.90177.9-95.3-170.3177.8-179.40112.7

Retrieved 339 of 339 residues in 197.5 ms (Link to these results)