A0A077Z4G4_TRITR Loading...

Coatomer subunit delta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins.

AlphaFold DB , UniProt , Accession A0A077Z4G4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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
1M70.3Confident87.8Confident145 Ų145107.1 Ų107.171%0.71452%0.521SS*.  0131.90-74.2-18057.500111.4
2M85.1Confident88.2Confident53 Ų53105.6 Ų105.626%0.26153%0.53SS..  trans-81.1152.1-173.6170.6-171.4167.900112.7V95 L98 V99 F102M2-V95 HydrophobicContact CB-CG2 4.41Å; M2-V95 HydrophobicContact CG-CG2 4.11Å; M2-V95 HydrophobicContact SD-CG2 3.8Å; M2-L98 HydrophobicContact CE-CB 4.23Å; M2-L98 HydrophobicContact SD-CB 4.12Å; M2-V99 HydrophobicContact CE-CB 4.21Å; M2-V99 HydrophobicContact CE-CG2 3.33Å; M2-V99 HydrophobicContact SD-CG2 4.45Å; M2-F102 HydrophobicContact CE-CD2 3.53Å; M2-F102 HydrophobicContact CE-CE2 3.65Å; M2-F102 HydrophobicContact SD-CE2 4.24Å
3S89.1Confident88.4Confident84 Ų84107.5 Ų107.559%0.58753%0.527SS*.  trans-138.6137.2168.962.20000110.6
4R92.5Very high88.6Confident117 Ų117101.9 Ų101.944%0.44250%0.501SS..  trans-118.1131.4173.9-171.864.6178.3163.60.8109.6F6 D103R4-F6 HydrophobicContact CB-CE2 4.2Å; R4-F6 HydrophobicContact CB-CZ 4.11Å; R4-F6 HydrophobicContact CG-CD1 4.41Å; R4-F6 HydrophobicContact CG-CE1 3.73Å; R4-F6 HydrophobicContact CG-CE2 3.95Å; R4-F6 HydrophobicContact CG-CZ 3.48Å; R4-F6 VanDerWaalsContact CG-CZ 3.48Å; R4-D103 IonicContact CZ-OD1 2.67Å; R4-D103 IonicContact CZ-OD2 3.26Å; R4-D103 IonicContact NE-OD1 2.82Å; R4-D103 PolarHBondContact NE-OD1 3.45Å; R4-D103 IonicContact NE-OD2 3.55Å; R4-D103 IonicContact NH2-OD1 3.66Å; R4-D103 PolarHBondContact NH2-OD1 3.26Å; R4-D103 IonicContact NH2-OD2 3.39Å; R4-D103 PolarHBondContact NH2-OD2 3.05Å
5Q92.3Very high88.8Confident96 Ų96101.2 Ų101.245%0.44950%0.497SS..  trans-110.1121.5-178.7177.4-177.6-20.100109.1V7 M9Q5-V7 WeakPolarHBondContact CG-O 3.37Å; Q5-V7 PolarHBondContact NE2-O 3.31Å; Q5-M9 HydrophobicContact CG-CG 4.28Å; Q5-M9 PolarHBondContact NE2-O 2.9Å
6F92.4Very high89Confident48 Ų4897.5 Ų97.521%0.21149%0.493CS..  trans-104.1-12.3-178.6-59.5-76.1000114R4 F75 F102 V106 L108 G109R4-F6 HydrophobicContact CB-CE2 4.2Å; R4-F6 HydrophobicContact CB-CZ 4.11Å; R4-F6 HydrophobicContact CG-CD1 4.41Å; R4-F6 HydrophobicContact CG-CE1 3.73Å; R4-F6 HydrophobicContact CG-CE2 3.95Å; R4-F6 HydrophobicContact CG-CZ 3.48Å; R4-F6 VanDerWaalsContact CG-CZ 3.48Å; F6-F75 HydrophobicContact CE2-CE1 4.44Å; F6-F75 AromaticContact CE2-CZ 3.86Å; F6-F75 HydrophobicContact CE2-CZ 3.86Å; F6-F75 HydrophobicContact CZ-CE1 4.19Å; F6-F75 AromaticContact CZ-CZ 3.82Å; F6-F75 HydrophobicContact CZ-CZ 3.82Å; F6-F102 HydrophobicContact CZ-CB 4.26Å; F6-V106 HydrophobicContact CB-CG1 3.85Å; F6-V106 HydrophobicContact CD1-CB 3.85Å; F6-V106 HydrophobicContact CD1-CG1 3.74Å; F6-V106 VanDerWaalsContact CD1-O 3.25Å; F6-V106 WeakPolarHBondContact CD1-O 3.39Å; F6-V106 HydrophobicContact CD2-CB 4.27Å; F6-V106 HydrophobicContact CD2-CG1 4.03Å; F6-V106 HydrophobicContact CE1-CB 3.84Å; F6-V106 HydrophobicContact CE1-CG1 4.26Å; F6-V106 VanDerWaalsContact CE1-O 3.28Å; F6-V106 WeakPolarHBondContact CE1-O 3.24Å; F6-V106 HydrophobicContact CE2-CB 4.26Å; F6-V106 HydrophobicContact CG-CB 4.06Å; F6-V106 HydrophobicContact CG-CG1 3.6Å; F6-V106 HydrophobicContact CZ-CB 4.03Å; F6-L108 CarbonylContact O-C 3.54Å; F6-G109 PolarHBondContact O-N 3.34Å
7V89.6Confident89.2Confident94 Ų9493 Ų9357%0.5747%0.47SS*.SBendtrans-127.9137.1180-179.90000108.8Q5 M9Q5-V7 WeakPolarHBondContact CG-O 3.37Å; Q5-V7 PolarHBondContact NE2-O 3.31Å; V7-M9 PolarHBondContact O-N 3.36Å
8E86.8Confident89.3Confident192 Ų19291.1 Ų91.190%0.89746%0.461SS*.  trans-62.2128.4178.1-67.2-169.7170.400111.7
9M87.1Confident89.4Confident68 Ų6890.7 Ų90.734%0.33546%0.464SS..  trans-155.9152.8176.953.2178.6-56.500109.5Q5 V7 R13 V14 L17Q5-M9 HydrophobicContact CG-CG 4.28Å; Q5-M9 PolarHBondContact NE2-O 2.9Å; V7-M9 PolarHBondContact O-N 3.36Å; M9-R13 HydrophobicContact CE-CB 3.76Å; M9-R13 HydrophobicContact CE-CG 3.53Å; M9-V14 HydrophobicContact CE-CB 4.14Å; M9-V14 HydrophobicContact CE-CG2 3.5Å; M9-V14 VanDerWaalsContact CE-CG2 3.5Å; M9-V14 HydrophobicContact CG-CG2 3.51Å; M9-V14 HydrophobicContact SD-CG2 3.54Å; M9-V14 VanDerWaalsContact SD-CG2 3.54Å; M9-L17 HydrophobicContact CE-CD1 3.7Å
10T91.4Very high89.5Confident88 Ų8887.7 Ų87.754%0.5445%0.453SS..  trans-64.8142.3179.860.30000110.8S12 R13 V14T10-S12 VanDerWaalsContact C-N 3.26Å; T10-S12 PolarHBondContact O-N 3.24Å; T10-S12 PolarHBondContact OG1-OG 3.01Å; T10-R13 WeakPolarHBondContact O-CA 3.34Å; T10-R13 WeakPolarHBondContact O-CB 3.5Å; T10-R13 PolarHBondContact O-N 2.86Å; T10-R13 WeakPolarHBondContact OG1-CB 3.31Å; T10-V14 PolarHBondContact O-N 3.16Å; T10-V14 VanDerWaalsContact O-N 3.11Å
11R89.2Confident89.5Confident193 Ų19384 Ų8473%0.72843%0.434SS*.Hα-helixtrans-53.4-42.8178.4179.9178.4172176.20.5112.8R13 V14 E15R11-R13 PolarHBondContact O-N 3.24Å; R11-V14 PolarHBondContact O-N 3.02Å; R11-V14 VanDerWaalsContact O-N 3.15Å; R11-E15 HydrophobicContact CG-CG 4.42Å; R11-E15 IonicContact CZ-OE1 3.19Å; R11-E15 IonicContact NE-OE1 2.83Å; R11-E15 PolarHBondContact NE-OE1 2.91Å; R11-E15 IonicContact NH2-OE1 2.66Å; R11-E15 PolarHBondContact NH2-OE1 3.45Å; R11-E15 VanDerWaalsContact NH2-OE1 3.13Å; R11-E15 PolarHBondContact O-N 2.9Å
12S92.2Very high90.3Very high89 Ų8979.8 Ų79.862%0.62242%0.418SS*.Hα-helixtrans-58.8-36.5177.1540000112.6T10 G16T10-S12 VanDerWaalsContact C-N 3.26Å; T10-S12 PolarHBondContact O-N 3.24Å; T10-S12 PolarHBondContact OG1-OG 3.01Å; S12-G16 PolarHBondContact O-N 2.94Å; S12-G16 VanDerWaalsContact O-N 3.12Å
13R91.8Very high90.5Very high131 Ų13184.4 Ų84.449%0.49444%0.436SS..Hα-helixtrans-70.5-42.8175.7-170.5179.1177.5140.5-0.2111.3M9 T10 R11 G16 L17M9-R13 HydrophobicContact CE-CB 3.76Å; M9-R13 HydrophobicContact CE-CG 3.53Å; T10-R13 WeakPolarHBondContact O-CA 3.34Å; T10-R13 WeakPolarHBondContact O-CB 3.5Å; T10-R13 PolarHBondContact O-N 2.86Å; T10-R13 WeakPolarHBondContact OG1-CB 3.31Å; R11-R13 PolarHBondContact O-N 3.24Å; R13-G16 PolarHBondContact O-N 3.41Å; R13-L17 HydrophobicContact CG-CD1 4.22Å; R13-L17 HydrophobicContact CG-CG 4.5Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.08Å; R13-L17 PolarHBondContact O-N 3.45Å
14V91Very high90.4Very high28 Ų2882.7 Ų82.717%0.1742%0.42CS..Hα-helixtrans-58.3-53.1177.5179.80000110.5M9 T10 R11 G16 L17 L18M9-V14 HydrophobicContact CE-CB 4.14Å; M9-V14 HydrophobicContact CE-CG2 3.5Å; M9-V14 VanDerWaalsContact CE-CG2 3.5Å; M9-V14 HydrophobicContact CG-CG2 3.51Å; M9-V14 HydrophobicContact SD-CG2 3.54Å; M9-V14 VanDerWaalsContact SD-CG2 3.54Å; T10-V14 PolarHBondContact O-N 3.16Å; T10-V14 VanDerWaalsContact O-N 3.11Å; R11-V14 PolarHBondContact O-N 3.02Å; R11-V14 VanDerWaalsContact O-N 3.15Å; V14-G16 VanDerWaalsContact C-N 3.29Å; V14-G16 PolarHBondContact O-N 3.48Å; V14-L17 PolarHBondContact O-N 2.97Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.31Å; V14-L18 WeakPolarHBondContact O-CG 3.46Å; V14-L18 PolarHBondContact O-N 3.25Å
15E91Very high90Very high92 Ų9277.6 Ų77.643%0.4340%0.402SS..Hα-helixtrans-60.5-39.9-179-69.8175.4174.500111.5R11 T19R11-E15 HydrophobicContact CG-CG 4.42Å; R11-E15 IonicContact CZ-OE1 3.19Å; R11-E15 IonicContact NE-OE1 2.83Å; R11-E15 PolarHBondContact NE-OE1 2.91Å; R11-E15 IonicContact NH2-OE1 2.66Å; R11-E15 PolarHBondContact NH2-OE1 3.45Å; R11-E15 VanDerWaalsContact NH2-OE1 3.13Å; R11-E15 PolarHBondContact O-N 2.9Å; E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.32Å; E15-T19 PolarHBondContact O-N 2.99Å; E15-T19 PolarHBondContact O-OG1 3.47Å
16G92.7Very high89.4Confident42 Ų4279.9 Ų79.943%0.43341%0.41SS..Hα-helixtrans-61.5-45175.400000113.3S12 R13 V14 A20S12-G16 PolarHBondContact O-N 2.94Å; S12-G16 VanDerWaalsContact O-N 3.12Å; R13-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact C-N 3.29Å; V14-G16 PolarHBondContact O-N 3.48Å; G16-A20 WeakPolarHBondContact O-CB 3.36Å; G16-A20 PolarHBondContact O-N 3.47Å; G16-A20 VanDerWaalsContact O-N 3.11Å
17L92.1Very high88.7Confident21 Ų2180.4 Ų80.411%0.1142%0.424CS..Hα-helixtrans-68.7-43.3179.3-63.7175.4000112M9 R13 V14 T19 A20 F21 V43 Y45 I58M9-L17 HydrophobicContact CE-CD1 3.7Å; R13-L17 HydrophobicContact CG-CD1 4.22Å; R13-L17 HydrophobicContact CG-CG 4.5Å; R13-L17 VanDerWaalsContact O-CG 3.28Å; R13-L17 WeakPolarHBondContact O-CG 3.08Å; R13-L17 PolarHBondContact O-N 3.45Å; V14-L17 PolarHBondContact O-N 2.97Å; L17-T19 VanDerWaalsContact C-N 3.33Å; L17-T19 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 2.99Å; L17-F21 PolarHBondContact O-N 2.85Å; L17-V43 HydrophobicContact CD1-CG1 4.4Å; L17-V43 HydrophobicContact CD2-CG1 4.39Å; L17-V43 HydrophobicContact CD2-CG2 3.81Å; L17-Y45 WeakPolarHBondContact CA-OH 3.39Å; L17-Y45 WeakPolarHBondContact CD2-OH 3.5Å; L17-Y45 PolarHBondContact O-OH 2.87Å; L17-Y45 VanDerWaalsContact O-OH 3.13Å; L17-I58 HydrophobicContact CB-CD1 3.91Å; L17-I58 HydrophobicContact CD1-CD1 4.48Å; L17-I58 HydrophobicContact CD1-CG2 4.07Å
18L91.2Very high87.5Confident58 Ų5878.5 Ų78.530%0.30441%0.408SS..Hα-helixtrans-63.5-39.1177.1-67.7177.3000112V14 A20 P22 F56 I58V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.31Å; V14-L18 WeakPolarHBondContact O-CG 3.46Å; V14-L18 PolarHBondContact O-N 3.25Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.35Å; L18-P22 VanDerWaalsContact O-CD 3.31Å; L18-P22 WeakPolarHBondContact O-CD 3.46Å; L18-F56 HydrophobicContact CD2-CE2 3.99Å; L18-F56 HydrophobicContact CD2-CZ 3.71Å; L18-I58 HydrophobicContact CD2-CD1 4.41Å
19T90.9Very high86.1Confident84 Ų8475.3 Ų75.352%0.51539%0.392SS..Hα-helixtrans-69.9-29.2177.6-56.80000112.4E15 L17E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.32Å; E15-T19 PolarHBondContact O-N 2.99Å; E15-T19 PolarHBondContact O-OG1 3.47Å; L17-T19 VanDerWaalsContact C-N 3.33Å; L17-T19 PolarHBondContact O-N 3.41Å
20A91.3Very high84.5Confident31 Ų3176.9 Ų76.926%0.25641%0.409SS..Hα-helixtrans-74.8-36.6-179.900000112.8G16 L17 L18 K23 L24G16-A20 WeakPolarHBondContact O-CB 3.36Å; G16-A20 PolarHBondContact O-N 3.47Å; G16-A20 VanDerWaalsContact O-N 3.11Å; L17-A20 PolarHBondContact O-N 2.99Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.35Å; A20-K23 WeakPolarHBondContact O-CB 3.32Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-K23 VanDerWaalsContact O-N 3.07Å; A20-L24 HydrophobicContact CB-CD1 4.38Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 3.43Å
21F89Confident82.7Confident9 Ų976.2 Ų76.24%0.03941%0.405CS..Hα-helixtrans-53.7-50-171.6174.9-106.5000114.6L17 K23 L24 L25 Y45 Y47 F56L17-F21 PolarHBondContact O-N 2.85Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.37Å; F21-L24 PolarHBondContact O-N 3.38Å; F21-L25 HydrophobicContact CE1-CD2 4.49Å; F21-L25 HydrophobicContact CZ-CD2 4.47Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 PolarHBondContact O-N 2.94Å; F21-Y45 HydrophobicContact CB-CD1 4.11Å; F21-Y45 HydrophobicContact CB-CE1 3.91Å; F21-Y45 AromaticContact CD2-CD1 3.58Å; F21-Y45 HydrophobicContact CD2-CD1 3.58Å; F21-Y45 HydrophobicContact CD2-CE1 4.25Å; F21-Y45 AromaticContact CD2-CG 3.93Å; F21-Y45 HydrophobicContact CD2-CG 3.93Å; F21-Y45 HydrophobicContact CE2-CD1 4.42Å; F21-Y45 HydrophobicContact CG-CD1 4.2Å; F21-Y45 HydrophobicContact CG-CE1 4.5Å; F21-Y47 HydrophobicContact CE2-CD1 4.2Å; F21-Y47 HydrophobicContact CE2-CG 4.12Å; F21-Y47 HydrophobicContact CZ-CD2 4.46Å; F21-Y47 HydrophobicContact CZ-CG 4.06Å; F21-F56 HydrophobicContact CB-CE2 4.41Å; F21-F56 HydrophobicContact CB-CZ 4.49Å; F21-F56 AromaticContact CD1-CD1 3.85Å; F21-F56 HydrophobicContact CD1-CD1 3.85Å; F21-F56 HydrophobicContact CD1-CD2 4.44Å; F21-F56 AromaticContact CD1-CE1 3.73Å; F21-F56 HydrophobicContact CD1-CE1 3.73Å; F21-F56 HydrophobicContact CD1-CE2 4.33Å; F21-F56 HydrophobicContact CD1-CG 4.22Å; F21-F56 AromaticContact CD1-CZ 3.98Å; F21-F56 HydrophobicContact CD1-CZ 3.98Å; F21-F56 HydrophobicContact CD2-CD2 4.32Å; F21-F56 HydrophobicContact CD2-CG 4.42Å; F21-F56 HydrophobicContact CE1-CB 4.44Å; F21-F56 AromaticContact CE1-CD1 3.55Å; F21-F56 HydrophobicContact CE1-CD1 3.55Å; F21-F56 AromaticContact CE1-CE1 3.87Å; F21-F56 HydrophobicContact CE1-CE1 3.87Å; F21-F56 AromaticContact CE1-CG 3.96Å; F21-F56 HydrophobicContact CE1-CG 3.96Å; F21-F56 HydrophobicContact CE2-CB 4.18Å; F21-F56 HydrophobicContact CE2-CD2 4.48Å; F21-F56 HydrophobicContact CE2-CG 4.18Å; F21-F56 HydrophobicContact CG-CD1 4.49Å; F21-F56 HydrophobicContact CG-CD2 4.3Å; F21-F56 HydrophobicContact CG-CE1 4.41Å; F21-F56 HydrophobicContact CG-CE2 4.21Å; F21-F56 HydrophobicContact CG-CG 4.44Å; F21-F56 HydrophobicContact CG-CZ 4.26Å; F21-F56 HydrophobicContact CZ-CB 3.97Å; F21-F56 AromaticContact CZ-CD1 3.96Å; F21-F56 HydrophobicContact CZ-CD1 3.96Å; F21-F56 AromaticContact CZ-CG 3.94Å; F21-F56 HydrophobicContact CZ-CG 3.94Å
22P87.7Confident80.8Confident58 Ų5874.2 Ų74.238%0.37742%0.415SS..Hα-helixtrans-59.6-40.3177.8-24.234.4000112.6L18 L24 L25 F26L18-P22 VanDerWaalsContact O-CD 3.31Å; L18-P22 WeakPolarHBondContact O-CD 3.46Å; P22-L24 VanDerWaalsContact C-N 3.33Å; P22-L24 PolarHBondContact O-N 3.5Å; P22-L25 PolarHBondContact O-N 3.24Å; P22-F26 WeakPolarHBondContact O-CD2 3.44Å; P22-F26 PolarHBondContact O-N 3Å
23K89.1Confident79Confident149 Ų14977.8 Ų77.865%0.64842%0.415SS*.Hα-helixtrans-62.9-41.5179.1-60.2179.9-177.6177.50111.3A20 F21 A27A20-K23 WeakPolarHBondContact O-CB 3.32Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-K23 VanDerWaalsContact O-N 3.07Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.37Å; K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 2.95Å
24L86.3Confident77.2Confident48 Ų4881 Ų8125%0.25144%0.435SS..Hα-helixtrans-66-44.4176.7-65.7171.9000111.5A20 F21 P22 F26 A27 E28 I38 T40 Y45A20-L24 HydrophobicContact CB-CD1 4.38Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 3.38Å; P22-L24 VanDerWaalsContact C-N 3.33Å; P22-L24 PolarHBondContact O-N 3.5Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 2.91Å; L24-A27 PolarHBondContact O-N 2.86Å; L24-E28 PolarHBondContact O-N 3Å; L24-I38 HydrophobicContact CB-CD1 3.99Å; L24-I38 HydrophobicContact CB-CG2 4.24Å; L24-I38 HydrophobicContact CD1-CG2 4.42Å; L24-T40 HydrophobicContact CD1-CG2 3.57Å; L24-T40 HydrophobicContact CD2-CG2 4.39Å; L24-Y45 HydrophobicContact CD1-CD2 4.06Å; L24-Y45 HydrophobicContact CD1-CE2 3.63Å
25L83.9Confident75.8Confident11 Ų1183.7 Ų83.76%0.05845%0.446CS..Hα-helixtrans-61.6-39.4178-169.671.6000112.1F21 P22 K29 I38 Y47 Y54F21-L25 HydrophobicContact CE1-CD2 4.49Å; F21-L25 HydrophobicContact CZ-CD2 4.47Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 PolarHBondContact O-N 2.94Å; P22-L25 PolarHBondContact O-N 3.24Å; L25-K29 WeakPolarHBondContact O-CG 3.25Å; L25-K29 PolarHBondContact O-N 3.43Å; L25-I38 HydrophobicContact CD1-CD1 4.46Å; L25-Y47 HydrophobicContact CD1-CD2 4.04Å; L25-Y47 HydrophobicContact CD1-CE1 4.32Å; L25-Y47 HydrophobicContact CD1-CE2 3.42Å; L25-Y47 VanDerWaalsContact CD1-CE2 3.42Å; L25-Y54 HydrophobicContact CD2-CD1 4.29Å; L25-Y54 HydrophobicContact CD2-CD2 4.36Å; L25-Y54 HydrophobicContact CD2-CE1 3.91Å; L25-Y54 HydrophobicContact CD2-CE2 3.99Å; L25-Y54 HydrophobicContact CD2-CG 4.49Å
26F80Confident75.2Confident143 Ų14382.7 Ų82.763%0.62745%0.446SS*.Hα-helixtrans-72.5-37.5175.4-76-65.7000113P22 L24 E28 K29P22-F26 WeakPolarHBondContact O-CD2 3.44Å; P22-F26 PolarHBondContact O-N 3Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-F26 PolarHBondContact O-N 2.91Å; F26-E28 VanDerWaalsContact C-N 3.31Å; F26-E28 PolarHBondContact O-N 3.11Å; F26-K29 HydrophobicContact CD1-CD 4.4Å; F26-K29 PolarHBondContact O-N 3.47Å
27A77.5Confident75Confident60 Ų6083.5 Ų83.550%0.49644%0.438SS..Hα-helixtrans-62.2-40.8175.900000111.2K23 L24 S30K23-A27 WeakPolarHBondContact O-CB 3.41Å; K23-A27 PolarHBondContact O-N 2.95Å; L24-A27 PolarHBondContact O-N 2.86Å; A27-S30 PolarHBondContact O-N 3.13Å; A27-S30 PolarHBondContact O-OG 3.19Å
28E65.1Low74.9Confident53 Ų5382.7 Ų82.725%0.24843%0.433CS..Hα-helixtrans-70.2-30.3178.6-77.8-164.716100114.3L24 F26 S30 T31 I38L24-E28 PolarHBondContact O-N 3Å; F26-E28 VanDerWaalsContact C-N 3.31Å; F26-E28 PolarHBondContact O-N 3.11Å; E28-S30 PolarHBondContact O-N 3.4Å; E28-T31 CarbonylContact O-C 3.56Å; E28-T31 PolarHBondContact O-N 2.89Å; E28-I38 HydrophobicContact CG-CD1 4.45Å; E28-I38 WeakPolarHBondContact OE1-CG2 3.38Å; E28-I38 WeakPolarHBondContact OE2-CD1 3.44Å; E28-I38 VanDerWaalsContact OE2-CG1 3.3Å; E28-I38 WeakPolarHBondContact OE2-CG1 3.49Å
29K58.6Low74.8Confident126 Ų12684.6 Ų84.655%0.54844%0.441SS..THydrogen-bonded Turntrans-58-16.7177.1-77.5176.6-176.7-178.20113.8L25 F26 T31L25-K29 WeakPolarHBondContact O-CG 3.25Å; L25-K29 PolarHBondContact O-N 3.43Å; F26-K29 HydrophobicContact CD1-CD 4.4Å; F26-K29 PolarHBondContact O-N 3.47Å; K29-T31 VanDerWaalsContact C-N 3.31Å
30S51.9Low74.7Confident100 Ų10082.3 Ų82.370%0.69943%0.427SS*.THydrogen-bonded Turntrans-75.3-17.7172.970.20000114.1A27 E28A27-S30 PolarHBondContact O-N 3.13Å; A27-S30 PolarHBondContact O-OG 3.19Å; E28-S30 PolarHBondContact O-N 3.4Å
31T54.9Low74.5Confident74 Ų7489.5 Ų89.545%0.45446%0.455SS..SBendtrans-119.5119.1-178.2-550000107.9E28 K29 R33E28-T31 CarbonylContact O-C 3.56Å; E28-T31 PolarHBondContact O-N 2.89Å; K29-T31 VanDerWaalsContact C-N 3.31Å; T31-R33 HydrophobicContact CG2-CG 4.03Å; T31-R33 PolarHBondContact O-N 2.93Å
32T48.9Very low74.4Confident151 Ų15192.3 Ų92.393%0.92648%0.476SS*.  trans-63.961.6-175.5-310000113.5
33R53.7Low74.6Confident165 Ų16589.9 Ų89.962%0.62346%0.46SS*.  trans-110.3115.1-179.3-77.1-175-171.2-166.33.4109.8T31 H35T31-R33 HydrophobicContact CG2-CG 4.03Å; T31-R33 PolarHBondContact O-N 2.93Å; R33-H35 PolarHBondContact O-N 3.4Å
34Q54.9Low74.8Confident197 Ų19783.8 Ų83.892%0.92143%0.433SS*.  trans-78.144.2172.4-62.2176.7-8.800111.3
35H60.5Low75.1Confident85 Ų8581.6 Ų81.639%0.39442%0.421SS..  trans-89.9130.5178.8-66.3-52.7000110.7R33 F37 Y47R33-H35 PolarHBondContact O-N 3.4Å; H35-F37 PolarHBondContact O-N 2.94Å; H35-Y47 PolarHBondContact O-OH 3.39Å
36T80Confident75.6Confident71 Ų7181.1 Ų81.144%0.43642%0.418SS..SBendtrans-79.614.6172.952.10000112.5Y47 L69T36-Y47 PolarHBondContact O-N 2.94Å; T36-L69 WeakPolarHBondContact OG1-CD2 3.35Å
37F88.1Confident76.1Confident60 Ų6075.7 Ų75.726%0.26339%0.394SS..EExtended strand (participates in β ladder)trans-154.2152.117968.2-89.1000112.6H35 E39 R44 Y45 V46 I65H35-F37 PolarHBondContact O-N 2.94Å; F37-E39 HydrophobicContact CD2-CG 3.92Å; F37-E39 HydrophobicContact CE2-CG 4Å; F37-R44 HydrophobicContact CB-CG 4.22Å; F37-R44 HydrophobicContact CD2-CG 4.22Å; F37-Y45 CarbonylContact C-O 3.6Å; F37-Y45 WeakPolarHBondContact CA-O 3.32Å; F37-Y45 VanDerWaalsContact CB-O 3.28Å; F37-Y45 WeakPolarHBondContact CB-O 3.27Å; F37-V46 HydrophobicContact CB-CG2 4.16Å; F37-I65 HydrophobicContact CB-CD1 4.43Å; F37-I65 HydrophobicContact CD1-CD1 4.38Å; F37-I65 HydrophobicContact CG-CD1 4.41Å
38I89.1Confident76.6Confident4 Ų476.1 Ų76.12%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-120.8122.6175.2-46.7-169.3000108.2L24 L25 E28 R44 Y45 Y47L24-I38 HydrophobicContact CB-CD1 3.99Å; L24-I38 HydrophobicContact CB-CG2 4.24Å; L24-I38 HydrophobicContact CD1-CG2 4.42Å; L25-I38 HydrophobicContact CD1-CD1 4.46Å; E28-I38 HydrophobicContact CG-CD1 4.45Å; E28-I38 WeakPolarHBondContact OE1-CG2 3.38Å; E28-I38 WeakPolarHBondContact OE2-CD1 3.44Å; E28-I38 VanDerWaalsContact OE2-CG1 3.3Å; E28-I38 WeakPolarHBondContact OE2-CG1 3.49Å; I38-R44 CarbonylContact O-C 3.59Å; I38-R44 WeakPolarHBondContact O-CA 3.26Å; I38-Y45 HydrophobicContact CB-CD2 4.48Å; I38-Y45 PolarHBondContact N-O 2.91Å; I38-Y45 PolarHBondContact O-N 2.92Å; I38-Y47 HydrophobicContact CD1-CD1 4.49Å; I38-Y47 HydrophobicContact CD1-CE1 3.94Å; I38-Y47 HydrophobicContact CG1-CD1 4.04Å; I38-Y47 HydrophobicContact CG1-CE1 3.48Å; I38-Y47 VanDerWaalsContact CG1-CE1 3.48Å
39E89.3Confident77.8Confident97 Ų9777.3 Ų77.345%0.45340%0.398SS..EExtended strand (participates in β ladder)trans-99.1127.8173.5-71.2-170.8167.400111.3F37 R44F37-E39 HydrophobicContact CD2-CG 3.92Å; F37-E39 HydrophobicContact CE2-CG 4Å; E39-R44 HydrophobicContact CG-CB 4.19Å; E39-R44 HydrophobicContact CG-CG 3.85Å; E39-R44 IonicContact OE1-CZ 3.08Å; E39-R44 IonicContact OE1-NE 2.65Å; E39-R44 PolarHBondContact OE1-NE 3.46Å; E39-R44 IonicContact OE1-NH2 2.81Å; E39-R44 PolarHBondContact OE1-NH2 3.21Å
40T89.2Confident79.1Confident36 Ų3672.2 Ų72.222%0.22138%0.377CS..  trans-104.3-172.2169.965.70000110.1L24 S42 V43 Y45 K61L24-T40 HydrophobicContact CD1-CG2 3.57Å; L24-T40 HydrophobicContact CD2-CG2 4.39Å; T40-S42 VanDerWaalsContact C-N 3.3Å; T40-S42 PolarHBondContact O-N 3.42Å; T40-V43 PolarHBondContact N-O 3.47Å; T40-V43 WeakPolarHBondContact OG1-CG2 3.43Å; T40-V43 PolarHBondContact OG1-N 2.96Å; T40-V43 PolarHBondContact OG1-O 2.97Å; T40-Y45 HydrophobicContact CG2-CD2 4.23Å; T40-Y45 HydrophobicContact CG2-CE2 3.77Å; T40-K61 WeakPolarHBondContact O-CE 3.26Å; T40-K61 PolarHBondContact O-NZ 3.03Å
41E87.6Confident80.6Confident182 Ų18273.9 Ų73.985%0.8538%0.378SS*.SBendtrans-64.9-31.3176.5-169.4177.2-177.500113.3K61E41-K61 WeakPolarHBondContact O-CE 3.21Å; E41-K61 PolarHBondContact O-NZ 3.39Å
42S86.3Confident82Confident68 Ų6878.6 Ų78.648%0.47640%0.395SS..SBendtrans-119.2-27.2-172.559.60000115.1T40T40-S42 VanDerWaalsContact C-N 3.3Å; T40-S42 PolarHBondContact O-N 3.42Å
43V92.9Very high83.8Confident7 Ų772.8 Ų72.84%0.04236%0.358CS..  trans-136.9158.8-176.1-59.90000111.6L17 T40 Y45 I58 T59L17-V43 HydrophobicContact CD1-CG1 4.4Å; L17-V43 HydrophobicContact CD2-CG1 4.39Å; L17-V43 HydrophobicContact CD2-CG2 3.81Å; T40-V43 PolarHBondContact N-O 3.47Å; T40-V43 WeakPolarHBondContact OG1-CG2 3.43Å; T40-V43 PolarHBondContact OG1-N 2.96Å; T40-V43 PolarHBondContact OG1-O 2.97Å; V43-Y45 HydrophobicContact CG2-CD2 4.28Å; V43-Y45 HydrophobicContact CG2-CE2 3.6Å; V43-I58 HydrophobicContact CB-CG2 3.92Å; V43-I58 HydrophobicContact CG1-CG2 4.13Å; V43-I58 HydrophobicContact CG2-CG2 4.05Å; V43-T59 WeakPolarHBondContact CA-O 3.46Å; V43-T59 WeakPolarHBondContact CB-O 3.38Å
44R92.5Very high85.5Confident22 Ų2269 Ų698%0.08334%0.344CS..EExtended strand (participates in β ladder)trans-107.8130.4168.6-177.2-173.7-63.7138.80.2108.5F37 I38 E39 V46 T59 K61 S63 D68F37-R44 HydrophobicContact CB-CG 4.22Å; F37-R44 HydrophobicContact CD2-CG 4.22Å; I38-R44 CarbonylContact O-C 3.59Å; I38-R44 WeakPolarHBondContact O-CA 3.26Å; E39-R44 HydrophobicContact CG-CB 4.19Å; E39-R44 HydrophobicContact CG-CG 3.85Å; E39-R44 IonicContact OE1-CZ 3.08Å; E39-R44 IonicContact OE1-NE 2.65Å; E39-R44 PolarHBondContact OE1-NE 3.46Å; E39-R44 IonicContact OE1-NH2 2.81Å; E39-R44 PolarHBondContact OE1-NH2 3.21Å; R44-V46 HydrophobicContact CG-CG2 4.02Å; R44-T59 PolarHBondContact N-O 3.37Å; R44-T59 PolarHBondContact O-N 3.44Å; R44-K61 PolarHBondContact NH2-O 2.96Å; R44-K61 VanDerWaalsContact NH2-O 3.1Å; R44-S63 PolarHBondContact NH1-O 2.94Å; R44-D68 IonicContact NH1-OD2 2.76Å
45Y93.1Very high87.2Confident2 Ų260.9 Ų60.91%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-95.9123.9167.8-62.1-95.7000107.7L17 F21 L24 F37 I38 T40 V43 F56 L57 I58L17-Y45 WeakPolarHBondContact CA-OH 3.39Å; L17-Y45 WeakPolarHBondContact CD2-OH 3.5Å; L17-Y45 PolarHBondContact O-OH 2.87Å; L17-Y45 VanDerWaalsContact O-OH 3.13Å; F21-Y45 HydrophobicContact CB-CD1 4.11Å; F21-Y45 HydrophobicContact CB-CE1 3.91Å; F21-Y45 AromaticContact CD2-CD1 3.58Å; F21-Y45 HydrophobicContact CD2-CD1 3.58Å; F21-Y45 HydrophobicContact CD2-CE1 4.25Å; F21-Y45 AromaticContact CD2-CG 3.93Å; F21-Y45 HydrophobicContact CD2-CG 3.93Å; F21-Y45 HydrophobicContact CE2-CD1 4.42Å; F21-Y45 HydrophobicContact CG-CD1 4.2Å; F21-Y45 HydrophobicContact CG-CE1 4.5Å; L24-Y45 HydrophobicContact CD1-CD2 4.06Å; L24-Y45 HydrophobicContact CD1-CE2 3.63Å; F37-Y45 CarbonylContact C-O 3.6Å; F37-Y45 WeakPolarHBondContact CA-O 3.32Å; F37-Y45 VanDerWaalsContact CB-O 3.28Å; F37-Y45 WeakPolarHBondContact CB-O 3.27Å; I38-Y45 HydrophobicContact CB-CD2 4.48Å; I38-Y45 PolarHBondContact N-O 2.91Å; I38-Y45 PolarHBondContact O-N 2.92Å; T40-Y45 HydrophobicContact CG2-CD2 4.23Å; T40-Y45 HydrophobicContact CG2-CE2 3.77Å; V43-Y45 HydrophobicContact CG2-CD2 4.28Å; V43-Y45 HydrophobicContact CG2-CE2 3.6Å; Y45-F56 HydrophobicContact CD1-CD2 4.2Å; Y45-F56 HydrophobicContact CD1-CE2 4.46Å; Y45-L57 CarbonylContact C-O 3.45Å; Y45-L57 WeakPolarHBondContact CA-O 3.4Å; Y45-I58 HydrophobicContact CD1-CD1 4.42Å; Y45-I58 HydrophobicContact CD1-CG1 3.76Å; Y45-I58 HydrophobicContact CE1-CD1 3.9Å; Y45-I58 HydrophobicContact CE1-CG1 3.7Å; Y45-I58 HydrophobicContact CE1-CG2 4.49Å
46V92.7Very high88.8Confident0 Ų059.2 Ų59.20%030%0.3CS..EExtended strand (participates in β ladder)trans-110.8123.8174.2-172.20000106.4F37 R44 F56 L57 I65 D68 L69 L72F37-V46 HydrophobicContact CB-CG2 4.16Å; R44-V46 HydrophobicContact CG-CG2 4.02Å; V46-F56 CarbonylContact O-C 3.58Å; V46-F56 WeakPolarHBondContact O-CA 3.28Å; V46-F56 WeakPolarHBondContact O-CB 3.23Å; V46-L57 PolarHBondContact N-O 3.46Å; V46-L57 PolarHBondContact O-N 2.93Å; V46-I65 HydrophobicContact CG1-CD1 4.32Å; V46-I65 HydrophobicContact CG2-CD1 3.68Å; V46-D68 HydrophobicContact CG2-CB 4.14Å; V46-L69 HydrophobicContact CG1-CD2 3.37Å; V46-L69 HydrophobicContact CG1-CG 3.97Å; V46-L72 HydrophobicContact CG1-CD2 3.83Å
47Y92.3Very high89.4Confident29 Ų2957.2 Ų57.211%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-142.1151.2-16871.4-84.7000113.5F21 L25 H35 T36 I38 Y54 V55 L72F21-Y47 HydrophobicContact CE2-CD1 4.2Å; F21-Y47 HydrophobicContact CE2-CG 4.12Å; F21-Y47 HydrophobicContact CZ-CD2 4.46Å; F21-Y47 HydrophobicContact CZ-CG 4.06Å; L25-Y47 HydrophobicContact CD1-CD2 4.04Å; L25-Y47 HydrophobicContact CD1-CE1 4.32Å; L25-Y47 HydrophobicContact CD1-CE2 3.42Å; L25-Y47 VanDerWaalsContact CD1-CE2 3.42Å; H35-Y47 PolarHBondContact O-OH 3.39Å; T36-Y47 PolarHBondContact O-N 2.94Å; I38-Y47 HydrophobicContact CD1-CD1 4.49Å; I38-Y47 HydrophobicContact CD1-CE1 3.94Å; I38-Y47 HydrophobicContact CG1-CD1 4.04Å; I38-Y47 HydrophobicContact CG1-CE1 3.48Å; I38-Y47 VanDerWaalsContact CG1-CE1 3.48Å; Y47-Y54 HydrophobicContact CD2-CD1 4.23Å; Y47-Y54 HydrophobicContact CD2-CE1 4.45Å; Y47-V55 WeakPolarHBondContact CA-O 3.43Å; Y47-L72 VanDerWaalsContact C-CD2 3.44Å
48Q88.2Confident89.7Confident69 Ų6957.4 Ų57.432%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-142.6130.4177.9-178.9174.2-22.600109.4V55 L72Q48-V55 PolarHBondContact N-O 3.25Å; Q48-V55 PolarHBondContact O-N 3.45Å; Q48-L72 HydrophobicContact CB-CD2 3.8Å; Q48-L72 HydrophobicContact CB-CG 4.24Å
49P88.4Confident89.9Confident79 Ų7958.3 Ų58.351%0.51330%0.295SS..EExtended strand (participates in β ladder)trans-71.314017229.2-33000110.9Y54P49-Y54 HydrophobicContact CB-CD1 4.17Å; P49-Y54 HydrophobicContact CB-CE1 3.87Å
50I86Confident90Very high18 Ų1857.7 Ų57.79%0.09230%0.298CS..EExtended strand (participates in β ladder)trans-133.6106.8172-51.7-179.1000107.6Q52 L53 V55 S76 A86I50-Q52 PolarHBondContact O-N 2.91Å; I50-L53 PolarHBondContact N-O 2.91Å; I50-L53 PolarHBondContact O-N 3.26Å; I50-V55 HydrophobicContact CD1-CB 4.11Å; I50-V55 HydrophobicContact CD1-CG2 3.34Å; I50-V55 HydrophobicContact CG1-CG2 4.13Å; I50-S76 VanDerWaalsContact CD1-CA 3.41Å; I50-A86 HydrophobicContact CG2-CB 3.71Å
51D83.8Confident90.1Very high136 Ų13660.3 Ų60.373%0.72731%0.306SS*.THydrogen-bonded Turntrans48-107.8-171.7-62.9-29.3000112.7A86D51-A86 HydrophobicContact CB-CB 4.13Å
52Q83.8Confident90.2Very high173 Ų17356.3 Ų56.381%0.80830%0.304SS*.THydrogen-bonded Turntrans-99.62.1-178.8-61-174.2-100113.2I50I50-Q52 PolarHBondContact O-N 2.91Å
53L88.2Confident90.5Very high29 Ų2954.9 Ų54.915%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-114.4162.4-176.7-59.6177.3000110.9I50 A86 V91I50-L53 PolarHBondContact N-O 2.91Å; I50-L53 PolarHBondContact O-N 3.26Å; L53-A86 HydrophobicContact CD1-CB 4.49Å; L53-A86 WeakPolarHBondContact CD1-O 3.42Å; L53-A86 WeakPolarHBondContact CG-O 3.24Å; L53-V91 HydrophobicContact CD1-CG2 3.74Å
54Y88.7Confident90.3Very high85 Ų8558.7 Ų58.733%0.33332%0.315SS..EExtended strand (participates in β ladder)trans-117.8127.7169.1-74.2-87.2000108.6L25 Y47 P49L25-Y54 HydrophobicContact CD2-CD1 4.29Å; L25-Y54 HydrophobicContact CD2-CD2 4.36Å; L25-Y54 HydrophobicContact CD2-CE1 3.91Å; L25-Y54 HydrophobicContact CD2-CE2 3.99Å; L25-Y54 HydrophobicContact CD2-CG 4.49Å; Y47-Y54 HydrophobicContact CD2-CD1 4.23Å; Y47-Y54 HydrophobicContact CD2-CE1 4.45Å; P49-Y54 HydrophobicContact CB-CD1 4.17Å; P49-Y54 HydrophobicContact CB-CE1 3.87Å
55V91.3Very high90.3Very high27 Ų2759.7 Ų59.716%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-98.9130.8164.9-177.40000107Y47 Q48 I50 L72 F75Y47-V55 WeakPolarHBondContact CA-O 3.43Å; Q48-V55 PolarHBondContact N-O 3.25Å; Q48-V55 PolarHBondContact O-N 3.45Å; I50-V55 HydrophobicContact CD1-CB 4.11Å; I50-V55 HydrophobicContact CD1-CG2 3.34Å; I50-V55 HydrophobicContact CG1-CG2 4.13Å; V55-L72 HydrophobicContact CB-CD1 4.17Å; V55-L72 HydrophobicContact CG1-CD1 3.65Å; V55-F75 HydrophobicContact CG1-CB 4.14Å
56F92.7Very high90.1Very high50 Ų5065.6 Ų65.622%0.21935%0.352CS..EExtended strand (participates in β ladder)trans-144.4147.8178.466.9-85.7000111.6L18 F21 Y45 V46 I58L18-F56 HydrophobicContact CD2-CE2 3.99Å; L18-F56 HydrophobicContact CD2-CZ 3.71Å; F21-F56 HydrophobicContact CB-CE2 4.41Å; F21-F56 HydrophobicContact CB-CZ 4.49Å; F21-F56 AromaticContact CD1-CD1 3.85Å; F21-F56 HydrophobicContact CD1-CD1 3.85Å; F21-F56 HydrophobicContact CD1-CD2 4.44Å; F21-F56 AromaticContact CD1-CE1 3.73Å; F21-F56 HydrophobicContact CD1-CE1 3.73Å; F21-F56 HydrophobicContact CD1-CE2 4.33Å; F21-F56 HydrophobicContact CD1-CG 4.22Å; F21-F56 AromaticContact CD1-CZ 3.98Å; F21-F56 HydrophobicContact CD1-CZ 3.98Å; F21-F56 HydrophobicContact CD2-CD2 4.32Å; F21-F56 HydrophobicContact CD2-CG 4.42Å; F21-F56 HydrophobicContact CE1-CB 4.44Å; F21-F56 AromaticContact CE1-CD1 3.55Å; F21-F56 HydrophobicContact CE1-CD1 3.55Å; F21-F56 AromaticContact CE1-CE1 3.87Å; F21-F56 HydrophobicContact CE1-CE1 3.87Å; F21-F56 AromaticContact CE1-CG 3.96Å; F21-F56 HydrophobicContact CE1-CG 3.96Å; F21-F56 HydrophobicContact CE2-CB 4.18Å; F21-F56 HydrophobicContact CE2-CD2 4.48Å; F21-F56 HydrophobicContact CE2-CG 4.18Å; F21-F56 HydrophobicContact CG-CD1 4.49Å; F21-F56 HydrophobicContact CG-CD2 4.3Å; F21-F56 HydrophobicContact CG-CE1 4.41Å; F21-F56 HydrophobicContact CG-CE2 4.21Å; F21-F56 HydrophobicContact CG-CG 4.44Å; F21-F56 HydrophobicContact CG-CZ 4.26Å; F21-F56 HydrophobicContact CZ-CB 3.97Å; F21-F56 AromaticContact CZ-CD1 3.96Å; F21-F56 HydrophobicContact CZ-CD1 3.96Å; F21-F56 AromaticContact CZ-CG 3.94Å; F21-F56 HydrophobicContact CZ-CG 3.94Å; Y45-F56 HydrophobicContact CD1-CD2 4.2Å; Y45-F56 HydrophobicContact CD1-CE2 4.46Å; V46-F56 CarbonylContact O-C 3.58Å; V46-F56 WeakPolarHBondContact O-CA 3.28Å; V46-F56 WeakPolarHBondContact O-CB 3.23Å; F56-I58 HydrophobicContact CD2-CG1 4.12Å; F56-I58 HydrophobicContact CE2-CD1 4.09Å; F56-I58 HydrophobicContact CE2-CG1 4.05Å
57L94.4Very high90Very high29 Ų2969.4 Ų69.415%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-108.2145171.9-57.7179.7000108.9Y45 V46 T59 T71 L72 F75Y45-L57 CarbonylContact C-O 3.45Å; Y45-L57 WeakPolarHBondContact CA-O 3.4Å; V46-L57 PolarHBondContact N-O 3.46Å; V46-L57 PolarHBondContact O-N 2.93Å; L57-T59 HydrophobicContact CB-CG2 4.27Å; L57-T71 HydrophobicContact CD1-CG2 3.96Å; L57-L72 HydrophobicContact CD1-CB 3.87Å; L57-L72 HydrophobicContact CG-CB 4.25Å; L57-L72 HydrophobicContact CG-CD1 4.06Å; L57-F75 HydrophobicContact CD1-CD2 4.39Å; L57-F75 HydrophobicContact CD2-CD2 3.83Å; L57-F75 HydrophobicContact CD2-CE2 3.83Å
58I94.2Very high90Very high64 Ų6468.6 Ų68.633%0.32837%0.368SS..EExtended strand (participates in β ladder)trans-110.1113170.9-55.4170.8000106.8L17 L18 V43 Y45 F56L17-I58 HydrophobicContact CB-CD1 3.91Å; L17-I58 HydrophobicContact CD1-CD1 4.48Å; L17-I58 HydrophobicContact CD1-CG2 4.07Å; L18-I58 HydrophobicContact CD2-CD1 4.41Å; V43-I58 HydrophobicContact CB-CG2 3.92Å; V43-I58 HydrophobicContact CG1-CG2 4.13Å; V43-I58 HydrophobicContact CG2-CG2 4.05Å; Y45-I58 HydrophobicContact CD1-CD1 4.42Å; Y45-I58 HydrophobicContact CD1-CG1 3.76Å; Y45-I58 HydrophobicContact CE1-CD1 3.9Å; Y45-I58 HydrophobicContact CE1-CG1 3.7Å; Y45-I58 HydrophobicContact CE1-CG2 4.49Å; F56-I58 HydrophobicContact CD2-CG1 4.12Å; F56-I58 HydrophobicContact CE2-CD1 4.09Å; F56-I58 HydrophobicContact CE2-CG1 4.05Å
59T93.2Very high90.2Very high23 Ų2367.1 Ų67.114%0.14136%0.362CS..EExtended strand (participates in β ladder)trans-121.7166-178.968.50000110.9V43 R44 L57 D68V43-T59 WeakPolarHBondContact CA-O 3.46Å; V43-T59 WeakPolarHBondContact CB-O 3.38Å; R44-T59 PolarHBondContact N-O 3.37Å; R44-T59 PolarHBondContact O-N 3.44Å; L57-T59 HydrophobicContact CB-CG2 4.27Å; T59-D68 WeakPolarHBondContact CB-OD2 3.34Å; T59-D68 HydrophobicContact CG2-CB 4.43Å; T59-D68 PolarHBondContact OG1-OD2 3.25Å
60T91.6Very high90.3Very high84 Ų8468.2 Ų68.252%0.51536%0.36SS..  trans-80.2156.417171.70000109.3A62 S63T60-A62 PolarHBondContact O-N 2.87Å; T60-A62 VanDerWaalsContact O-N 3.13Å; T60-S63 WeakPolarHBondContact O-CB 3.37Å; T60-S63 PolarHBondContact O-N 3.22Å
61K90.1Very high90.6Very high90 Ų9067.8 Ų67.839%0.39136%0.358SS..THydrogen-bonded Turntrans-63.2-20.8177.7-54.3-169.3-142-173.80113.6T40 E41 R44 S63T40-K61 WeakPolarHBondContact O-CE 3.26Å; T40-K61 PolarHBondContact O-NZ 3.03Å; E41-K61 WeakPolarHBondContact O-CE 3.21Å; E41-K61 PolarHBondContact O-NZ 3.39Å; R44-K61 PolarHBondContact NH2-O 2.96Å; R44-K61 VanDerWaalsContact NH2-O 3.1Å; K61-S63 VanDerWaalsContact C-N 3.3Å
62A90.7Very high91.1Very high98 Ų9861.3 Ų61.381%0.8132%0.324SS*.THydrogen-bonded Turntrans-78.6-13.1176.400000113.1T60T60-A62 PolarHBondContact O-N 2.87Å; T60-A62 VanDerWaalsContact O-N 3.13Å
63S90.9Very high91.6Very high38 Ų3859 Ų5927%0.26631%0.311SS..SBendtrans-66.7146.8175.8-160.70000111.3R44 T60 K61 I65 D68R44-S63 PolarHBondContact NH1-O 2.94Å; T60-S63 WeakPolarHBondContact O-CB 3.37Å; T60-S63 PolarHBondContact O-N 3.22Å; K61-S63 VanDerWaalsContact C-N 3.3Å; S63-I65 PolarHBondContact O-N 2.94Å; S63-I65 VanDerWaalsContact O-N 3.17Å; S63-D68 WeakPolarHBondContact CB-OD2 3.29Å; S63-D68 PolarHBondContact OG-OD1 2.78Å; S63-D68 PolarHBondContact OG-OD2 2.85Å
64N90Very high91.8Very high87 Ų8758.3 Ų58.347%0.46531%0.307SS..  trans-70.9108.4176.2-177.8-9.4000109.9L66 E67 D68N64-L66 PolarHBondContact O-N 3.44Å; N64-L66 PolarHBondContact OD1-N 3.49Å; N64-L66 VanDerWaalsContact OD1-N 3.08Å; N64-E67 HydrophobicContact CB-CB 4.08Å; N64-E67 PolarHBondContact O-N 2.92Å; N64-E67 VanDerWaalsContact O-N 3.13Å; N64-D68 VanDerWaalsContact O-CG 3.31Å; N64-D68 PolarHBondContact O-N 2.93Å
65I91.1Very high92.1Very high44 Ų4454.6 Ų54.623%0.22629%0.293CS..Hα-helixtrans-59.5-30.6-176.9-173.352.3000113.6F37 V46 S63 D68 L69F37-I65 HydrophobicContact CB-CD1 4.43Å; F37-I65 HydrophobicContact CD1-CD1 4.38Å; F37-I65 HydrophobicContact CG-CD1 4.41Å; V46-I65 HydrophobicContact CG1-CD1 4.32Å; V46-I65 HydrophobicContact CG2-CD1 3.68Å; S63-I65 PolarHBondContact O-N 2.94Å; S63-I65 VanDerWaalsContact O-N 3.17Å; I65-D68 HydrophobicContact CD1-CB 4.4Å; I65-L69 HydrophobicContact CD1-CD1 4.28Å; I65-L69 HydrophobicContact CD1-CG 4.07Å; I65-L69 HydrophobicContact CG1-CD1 4.03Å; I65-L69 HydrophobicContact CG1-CG 4.33Å; I65-L69 WeakPolarHBondContact O-CB 3.5Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 3.45Å
66L89.9Confident92.1Very high125 Ų12553.7 Ų53.765%0.65429%0.288SS*.Hα-helixtrans-69.3-42179.2-64.1176.6000110.8N64 L69 E70N64-L66 PolarHBondContact O-N 3.44Å; N64-L66 PolarHBondContact OD1-N 3.49Å; N64-L66 VanDerWaalsContact OD1-N 3.08Å; L66-L69 PolarHBondContact O-N 3.28Å; L66-E70 WeakPolarHBondContact O-CB 3.12Å; L66-E70 PolarHBondContact O-N 3.15Å
67E90.7Very high92.1Very high81 Ų8159 Ų5938%0.37931%0.306SS..Hα-helixtrans-67.7-41.6175.6-173.8174.1-160.500111.4N64 L69 E70 T71 R111N64-E67 HydrophobicContact CB-CB 4.08Å; N64-E67 PolarHBondContact O-N 2.92Å; N64-E67 VanDerWaalsContact O-N 3.13Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 2.9Å; E67-E70 PolarHBondContact O-N 2.68Å; E67-T71 VanDerWaalsContact O-CB 3.26Å; E67-T71 WeakPolarHBondContact O-CB 3.21Å; E67-T71 PolarHBondContact O-N 3.39Å; E67-T71 PolarHBondContact O-OG1 3.16Å; E67-R111 HydrophobicContact CG-CB 4.32Å
68D92.7Very high92Very high11 Ų1157.6 Ų57.66%0.05930%0.299CS..Hα-helixtrans-59.1-45174.4-66-13.4000111.1R44 V46 T59 S63 N64 I65 T71 L72R44-D68 IonicContact NH1-OD2 2.76Å; V46-D68 HydrophobicContact CG2-CB 4.14Å; T59-D68 WeakPolarHBondContact CB-OD2 3.34Å; T59-D68 HydrophobicContact CG2-CB 4.43Å; T59-D68 PolarHBondContact OG1-OD2 3.25Å; S63-D68 WeakPolarHBondContact CB-OD2 3.29Å; S63-D68 PolarHBondContact OG-OD1 2.78Å; S63-D68 PolarHBondContact OG-OD2 2.85Å; N64-D68 VanDerWaalsContact O-CG 3.31Å; N64-D68 PolarHBondContact O-N 2.93Å; I65-D68 HydrophobicContact CD1-CB 4.4Å; D68-T71 PolarHBondContact O-N 3.43Å; D68-L72 WeakPolarHBondContact O-CB 3.5Å; D68-L72 PolarHBondContact O-N 2.87Å
69L91.8Very high91.9Very high38 Ų3855 Ų5520%0.19929%0.286CS..Hα-helixtrans-67.3-39.5178.5-75.7168.6000112.3T36 V46 I65 L66 E67 T71 L72 K73T36-L69 WeakPolarHBondContact OG1-CD2 3.35Å; V46-L69 HydrophobicContact CG1-CD2 3.37Å; V46-L69 HydrophobicContact CG1-CG 3.97Å; I65-L69 HydrophobicContact CD1-CD1 4.28Å; I65-L69 HydrophobicContact CD1-CG 4.07Å; I65-L69 HydrophobicContact CG1-CD1 4.03Å; I65-L69 HydrophobicContact CG1-CG 4.33Å; I65-L69 WeakPolarHBondContact O-CB 3.5Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 3.45Å; L66-L69 PolarHBondContact O-N 3.28Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 2.9Å; L69-T71 VanDerWaalsContact C-N 3.32Å; L69-L72 PolarHBondContact O-N 3.42Å; L69-K73 VanDerWaalsContact O-CG 3.31Å; L69-K73 WeakPolarHBondContact O-CG 3.33Å; L69-K73 PolarHBondContact O-N 3.27Å
70E90.6Very high91.7Very high102 Ų10257.2 Ų57.248%0.47730%0.301SS..Hα-helixtrans-66.5-38.1175.4-160.6-171.3150.500111.6L66 E67 K73 L74 R111L66-E70 WeakPolarHBondContact O-CB 3.12Å; L66-E70 PolarHBondContact O-N 3.15Å; E67-E70 PolarHBondContact O-N 2.68Å; E70-K73 PolarHBondContact O-N 3.45Å; E70-L74 PolarHBondContact O-N 2.96Å; E70-R111 IonicContact OE1-CZ 2.85Å; E70-R111 IonicContact OE1-NH2 3.76Å; E70-R111 PolarHBondContact OE1-NH2 3.26Å
71T93.3Very high91.6Very high9 Ų958.6 Ų58.66%0.05530%0.302CS..Hα-helixtrans-63-48.7173.6-58.50000111.4L57 E67 D68 L69 K73 L74 F75 I105 V106 R111L57-T71 HydrophobicContact CD1-CG2 3.96Å; E67-T71 VanDerWaalsContact O-CB 3.26Å; E67-T71 WeakPolarHBondContact O-CB 3.21Å; E67-T71 PolarHBondContact O-N 3.39Å; E67-T71 PolarHBondContact O-OG1 3.16Å; D68-T71 PolarHBondContact O-N 3.43Å; L69-T71 VanDerWaalsContact C-N 3.32Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 3.33Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.09Å; T71-F75 HydrophobicContact CG2-CD2 3.77Å; T71-F75 HydrophobicContact CG2-CE2 3.47Å; T71-F75 VanDerWaalsContact CG2-CE2 3.47Å; T71-F75 WeakPolarHBondContact O-CD2 3.39Å; T71-F75 PolarHBondContact O-N 3.41Å; T71-I105 HydrophobicContact CG2-CG2 4.11Å; T71-V106 HydrophobicContact CG2-CG2 3.88Å; T71-R111 VanDerWaalsContact OG1-CD 3.27Å; T71-R111 WeakPolarHBondContact OG1-CD 3.45Å; T71-R111 PolarHBondContact OG1-NH1 3.19Å
72L94.1Very high91.6Very high1 Ų156.4 Ų56.41%0.00529%0.291CS..Hα-helixtrans-59.1-40.4175.4178.368.6000112.4V46 Y47 Q48 V55 L57 D68 L69 L74 F75 S76V46-L72 HydrophobicContact CG1-CD2 3.83Å; Y47-L72 VanDerWaalsContact C-CD2 3.44Å; Q48-L72 HydrophobicContact CB-CD2 3.8Å; Q48-L72 HydrophobicContact CB-CG 4.24Å; V55-L72 HydrophobicContact CB-CD1 4.17Å; V55-L72 HydrophobicContact CG1-CD1 3.65Å; L57-L72 HydrophobicContact CD1-CB 3.87Å; L57-L72 HydrophobicContact CG-CB 4.25Å; L57-L72 HydrophobicContact CG-CD1 4.06Å; D68-L72 WeakPolarHBondContact O-CB 3.5Å; D68-L72 PolarHBondContact O-N 2.87Å; L69-L72 PolarHBondContact O-N 3.42Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.2Å; L72-F75 PolarHBondContact O-N 2.98Å; L72-S76 WeakPolarHBondContact O-CB 3.49Å; L72-S76 PolarHBondContact O-N 3.15Å; L72-S76 PolarHBondContact O-OG 3.07Å
73K92.6Very high91.5Very high124 Ų12451.8 Ų51.854%0.53925%0.253SS..Hα-helixtrans-62.2-38.9176-77.4174.4-178178.50111.8L69 E70 T71 S76 R77L69-K73 VanDerWaalsContact O-CG 3.31Å; L69-K73 WeakPolarHBondContact O-CG 3.33Å; L69-K73 PolarHBondContact O-N 3.27Å; E70-K73 PolarHBondContact O-N 3.45Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 3.33Å; K73-S76 PolarHBondContact O-N 3.46Å; K73-R77 WeakPolarHBondContact O-CG 3.19Å; K73-R77 PolarHBondContact O-N 3.35Å
74L93.5Very high90.9Very high14 Ų1459.4 Ų59.47%0.07329%0.285CS..Hα-helixtrans-67.9-46.9177.4-173.453.8000111.4E70 T71 L72 S76 R77 V78 I105 V114 L116 I119E70-L74 PolarHBondContact O-N 2.96Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L74 VanDerWaalsContact O-N 3.09Å; L72-L74 VanDerWaalsContact C-N 3.3Å; L72-L74 PolarHBondContact O-N 3.2Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.31Å; L74-R77 PolarHBondContact O-N 2.96Å; L74-R77 VanDerWaalsContact O-N 3.08Å; L74-V78 PolarHBondContact O-N 3.01Å; L74-I105 HydrophobicContact CD2-CG1 4.18Å; L74-I105 HydrophobicContact CD2-CG2 4Å; L74-I105 HydrophobicContact CG-CD1 4.16Å; L74-I105 HydrophobicContact CG-CG1 4.15Å; L74-I105 HydrophobicContact CG-CG2 4.34Å; L74-V114 HydrophobicContact CD2-CG2 4.43Å; L74-V114 WeakPolarHBondContact CD2-O 3.06Å; L74-L116 HydrophobicContact CD1-CB 4.49Å; L74-I119 HydrophobicContact CD1-CD1 3.97Å; L74-I119 HydrophobicContact CD2-CD1 4.05Å; L74-I119 HydrophobicContact CG-CD1 4.06Å
75F93.9Very high90.6Very high7 Ų762.1 Ų62.13%0.03129%0.292CS..Hα-helixtrans-52.2-46.4170.4-82.1-71.4000111.7F6 V55 L57 T71 L72 R77 V78 V79 F102 I105 V106F6-F75 HydrophobicContact CE2-CE1 4.44Å; F6-F75 AromaticContact CE2-CZ 3.86Å; F6-F75 HydrophobicContact CE2-CZ 3.86Å; F6-F75 HydrophobicContact CZ-CE1 4.19Å; F6-F75 AromaticContact CZ-CZ 3.82Å; F6-F75 HydrophobicContact CZ-CZ 3.82Å; V55-F75 HydrophobicContact CG1-CB 4.14Å; L57-F75 HydrophobicContact CD1-CD2 4.39Å; L57-F75 HydrophobicContact CD2-CD2 3.83Å; L57-F75 HydrophobicContact CD2-CE2 3.83Å; T71-F75 HydrophobicContact CG2-CD2 3.77Å; T71-F75 HydrophobicContact CG2-CE2 3.47Å; T71-F75 VanDerWaalsContact CG2-CE2 3.47Å; T71-F75 WeakPolarHBondContact O-CD2 3.39Å; T71-F75 PolarHBondContact O-N 3.41Å; L72-F75 PolarHBondContact O-N 2.98Å; F75-R77 VanDerWaalsContact C-N 3.27Å; F75-R77 PolarHBondContact O-N 3.43Å; F75-V78 PolarHBondContact O-N 3.25Å; F75-V79 PolarHBondContact O-N 2.95Å; F75-F102 HydrophobicContact CD1-CB 4.41Å; F75-F102 AromaticContact CD1-CD1 3.41Å; F75-F102 HydrophobicContact CD1-CD1 3.41Å; F75-F102 VanDerWaalsContact CD1-CD1 3.41Å; F75-F102 HydrophobicContact CD1-CD2 4.12Å; F75-F102 AromaticContact CD1-CE1 3.58Å; F75-F102 HydrophobicContact CD1-CE1 3.58Å; F75-F102 HydrophobicContact CD1-CE2 4.26Å; F75-F102 AromaticContact CD1-CG 3.71Å; F75-F102 HydrophobicContact CD1-CG 3.71Å; F75-F102 HydrophobicContact CD1-CZ 4.01Å; F75-F102 HydrophobicContact CE1-CB 3.65Å; F75-F102 AromaticContact CE1-CD1 3.56Å; F75-F102 HydrophobicContact CE1-CD1 3.56Å; F75-F102 AromaticContact CE1-CD2 3.93Å; F75-F102 HydrophobicContact CE1-CD2 3.93Å; F75-F102 HydrophobicContact CE1-CE1 4.19Å; F75-F102 AromaticContact CE1-CG 3.42Å; F75-F102 HydrophobicContact CE1-CG 3.42Å; F75-F102 VanDerWaalsContact CE1-CG 3.42Å; F75-I105 HydrophobicContact CD1-CD1 3.7Å; F75-I105 HydrophobicContact CD2-CG2 4.21Å; F75-I105 HydrophobicContact CE1-CB 4.34Å; F75-I105 HydrophobicContact CE1-CD1 3.85Å; F75-I105 HydrophobicContact CE2-CB 4.44Å; F75-I105 HydrophobicContact CE2-CG2 3.8Å; F75-I105 HydrophobicContact CG-CD1 4.05Å; F75-I105 HydrophobicContact CZ-CB 4.08Å; F75-I105 HydrophobicContact CZ-CD1 4.33Å; F75-I105 HydrophobicContact CZ-CG2 3.95Å; F75-V106 HydrophobicContact CE2-CG2 3.78Å; F75-V106 HydrophobicContact CZ-CB 4.47Å; F75-V106 HydrophobicContact CZ-CG2 3.78Å
76S92.1Very high90.1Very high9 Ų960.3 Ų60.36%0.06328%0.283CS..Hα-helixtrans-65-28.6-179.4-59.30000113.5I50 L72 K73 L74 P80I50-S76 VanDerWaalsContact CD1-CA 3.41Å; L72-S76 WeakPolarHBondContact O-CB 3.49Å; L72-S76 PolarHBondContact O-N 3.15Å; L72-S76 PolarHBondContact O-OG 3.07Å; K73-S76 PolarHBondContact O-N 3.46Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.31Å; S76-P80 WeakPolarHBondContact O-CD 3.5Å
77R91.9Very high90Very high161 Ų16156.7 Ų56.761%0.60827%0.265SS*.Hα-helixtrans-83-26.5177.2-74.6179.567.5-178.90.6113.3K73 L74 F75 P80 L116K73-R77 WeakPolarHBondContact O-CG 3.19Å; K73-R77 PolarHBondContact O-N 3.35Å; L74-R77 PolarHBondContact O-N 2.96Å; L74-R77 VanDerWaalsContact O-N 3.08Å; F75-R77 VanDerWaalsContact C-N 3.27Å; F75-R77 PolarHBondContact O-N 3.43Å; R77-P80 WeakPolarHBondContact O-CD 3.28Å; R77-L116 HydrophobicContact CB-CD2 4.49Å
78V92.7Very high89.9Confident0 Ų058.3 Ų58.30%027%0.272CS..Hα-helixtrans-69.8-36.6176.3163.10000111.5L74 F75 E81 Y82 L98 A101 F102 I105 L116 I119L74-V78 PolarHBondContact O-N 3.01Å; F75-V78 PolarHBondContact O-N 3.25Å; V78-E81 VanDerWaalsContact O-CB 3.32Å; V78-E81 WeakPolarHBondContact O-CB 3.18Å; V78-E81 PolarHBondContact O-N 2.96Å; V78-E81 VanDerWaalsContact O-N 3.1Å; V78-Y82 HydrophobicContact CG1-CD2 3.97Å; V78-Y82 HydrophobicContact CG1-CE2 3.86Å; V78-Y82 WeakPolarHBondContact O-CD2 3.33Å; V78-L98 HydrophobicContact CG1-CD2 4.16Å; V78-A101 HydrophobicContact CG1-CB 3.62Å; V78-F102 HydrophobicContact CB-CE1 4.35Å; V78-F102 HydrophobicContact CG1-CD1 4.17Å; V78-F102 HydrophobicContact CG1-CE1 3.84Å; V78-I105 HydrophobicContact CG2-CD1 3.97Å; V78-L116 HydrophobicContact CB-CD1 4.39Å; V78-L116 HydrophobicContact CG2-CD1 3.53Å; V78-I119 HydrophobicContact CG2-CD1 4.17Å
79V91.6Very high89.8Confident9 Ų964.7 Ų64.76%0.05530%0.3CS..Hα-helixtrans-58-50.6-177.4174.20000112.7F75 E81 Y82 C83 A86 V91 L98 F102F75-V79 PolarHBondContact O-N 2.95Å; V79-E81 PolarHBondContact O-N 2.98Å; V79-Y82 PolarHBondContact O-N 3.18Å; V79-C83 HydrophobicContact CG1-CB 4.46Å; V79-C83 VanDerWaalsContact O-CB 3.24Å; V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.37Å; V79-A86 HydrophobicContact CG1-CB 4.45Å; V79-V91 HydrophobicContact CG1-CG2 4.35Å; V79-L98 HydrophobicContact CG2-CD2 4.29Å; V79-F102 HydrophobicContact CG2-CZ 4.13Å
80P89.9Confident89.7Confident70 Ų7064 Ų6446%0.45530%0.298SS..Hα-helixtrans-68.1-15.1177.2-21.534.1000115.3S76 R77 C83S76-P80 WeakPolarHBondContact O-CD 3.5Å; R77-P80 WeakPolarHBondContact O-CD 3.28Å; P80-C83 WeakPolarHBondContact CA-O 3.38Å
81E89.8Confident89.7Confident113 Ų11360 Ų6053%0.52828%0.281SS..Hα-helixtrans-71-41.1177.6-167.465.9-157.800110.9V78 V79 L116V78-E81 VanDerWaalsContact O-CB 3.32Å; V78-E81 WeakPolarHBondContact O-CB 3.18Å; V78-E81 PolarHBondContact O-N 2.96Å; V78-E81 VanDerWaalsContact O-N 3.1Å; V79-E81 PolarHBondContact O-N 2.98Å; E81-L116 HydrophobicContact CB-CD1 4.42Å; E81-L116 HydrophobicContact CG-CD1 4.5Å
82Y89.1Confident89.7Confident43 Ų4364.3 Ų64.317%0.16930%0.301CS..Hα-helixtrans-93.2-32.5177.8-62.5-79.2000112.5V78 V79 E97 L98 A101V78-Y82 HydrophobicContact CG1-CD2 3.97Å; V78-Y82 HydrophobicContact CG1-CE2 3.86Å; V78-Y82 WeakPolarHBondContact O-CD2 3.33Å; V79-Y82 PolarHBondContact O-N 3.18Å; Y82-E97 HydrophobicContact CD1-CB 3.78Å; Y82-E97 HydrophobicContact CD1-CG 4.38Å; Y82-E97 HydrophobicContact CE1-CB 4.02Å; Y82-E97 HydrophobicContact CG-CB 4.26Å; Y82-L98 HydrophobicContact CD2-CD2 4.04Å; Y82-A101 HydrophobicContact CE2-CB 3.73Å
83C88.7Confident89.6Confident1 Ų169.2 Ų69.21%0.00733%0.328CS..  trans-105111.9-177.7-58.20000110.9V79 P80 K85V79-C83 HydrophobicContact CG1-CB 4.46Å; V79-C83 VanDerWaalsContact O-CB 3.24Å; V79-C83 WeakPolarHBondContact O-CB 3.25Å; V79-C83 PolarHBondContact O-N 3.37Å; P80-C83 WeakPolarHBondContact CA-O 3.38Å; C83-K85 PolarHBondContact O-N 3.22Å; C83-K85 VanDerWaalsContact O-N 3.13Å
84Q79.5Confident89.6Confident199 Ų19966.5 Ų66.593%0.9332%0.316SS*.SBendtrans-57.9-29.3176.8-68.5-176.97.900113.6
85K82.6Confident89.6Confident144 Ų14467.5 Ų67.563%0.62632%0.323SS*.SBendtrans-129.2134.2171.5-66.5-176.2179.2-177.50107.9C83 D87 S90C83-K85 PolarHBondContact O-N 3.22Å; C83-K85 VanDerWaalsContact O-N 3.13Å; K85-D87 PolarHBondContact O-N 3.07Å; K85-S90 VanDerWaalsContact O-CB 3.25Å; K85-S90 WeakPolarHBondContact O-CB 3.35Å; K85-S90 PolarHBondContact O-OG 3.12Å
86A81.3Confident89.5Confident5 Ų574.1 Ų74.14%0.04135%0.352CS..  trans-79.767.9173.300000110.3I50 D51 L53 V79I50-A86 HydrophobicContact CG2-CB 3.71Å; D51-A86 HydrophobicContact CB-CB 4.13Å; L53-A86 HydrophobicContact CD1-CB 4.49Å; L53-A86 WeakPolarHBondContact CD1-O 3.42Å; L53-A86 WeakPolarHBondContact CG-O 3.24Å; V79-A86 HydrophobicContact CG1-CB 4.45Å
87D87.1Confident89.5Confident50 Ų5077.1 Ų77.127%0.26737%0.365SS..SBendtrans-116.9162.8172.568.912.3000111.7K85 K89 S90 V91K85-D87 PolarHBondContact O-N 3.07Å; D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.44Å; D87-S90 PolarHBondContact O-N 2.95Å; D87-S90 WeakPolarHBondContact OD1-CB 3.23Å; D87-S90 PolarHBondContact OD1-N 3.48Å; D87-S90 PolarHBondContact OD1-OG 3.31Å; D87-V91 WeakPolarHBondContact O-CG2 3.32Å; D87-V91 PolarHBondContact O-N 3.23Å
88E88.9Confident89.6Confident114 Ų11469.5 Ų69.553%0.53334%0.337SS..Hα-helixtrans-58.5-38.8-174.5177.6169-151.500112.5M92E88-M92 VanDerWaalsContact O-CG 3.31Å; E88-M92 WeakPolarHBondContact O-CG 3.42Å; E88-M92 PolarHBondContact O-N 3.46Å; E88-M92 VanDerWaalsContact O-N 3.11Å
89K90.4Very high89.6Confident146 Ų14670.9 Ų70.964%0.63535%0.345SS*.Hα-helixtrans-65.8-48.3-178.2-173.6-178.1175.7-174.60111.3D87 V91 M92 D93D87-K89 VanDerWaalsContact C-N 3.26Å; D87-K89 PolarHBondContact O-N 3.44Å; K89-V91 VanDerWaalsContact C-N 3.29Å; K89-V91 PolarHBondContact O-N 3.17Å; K89-M92 PolarHBondContact O-N 3.44Å; K89-D93 PolarHBondContact O-N 3.21Å
90S90.6Very high89.7Confident24 Ų2476 Ų7617%0.16837%0.366CS..Hα-helixtrans-62.9-37.9-178.5-54.90000111.9K85 D87 D93 H94K85-S90 VanDerWaalsContact O-CB 3.25Å; K85-S90 WeakPolarHBondContact O-CB 3.35Å; K85-S90 PolarHBondContact O-OG 3.12Å; D87-S90 PolarHBondContact O-N 2.95Å; D87-S90 WeakPolarHBondContact OD1-CB 3.23Å; D87-S90 PolarHBondContact OD1-N 3.48Å; D87-S90 PolarHBondContact OD1-OG 3.31Å; S90-D93 PolarHBondContact O-N 2.66Å; S90-H94 PolarHBondContact O-N 3.48Å; S90-H94 PolarHBondContact O-ND1 3.4Å
91V90.9Very high89.9Confident18 Ų1872.6 Ų72.611%0.10935%0.345CS..Hα-helixtrans-65.5-39.1176.1171.80000111.8L53 V79 D87 K89 H94 V95 L98L53-V91 HydrophobicContact CD1-CG2 3.74Å; V79-V91 HydrophobicContact CG1-CG2 4.35Å; D87-V91 WeakPolarHBondContact O-CG2 3.32Å; D87-V91 PolarHBondContact O-N 3.23Å; K89-V91 VanDerWaalsContact C-N 3.29Å; K89-V91 PolarHBondContact O-N 3.17Å; V91-H94 CarbonylContact O-C 3.5Å; V91-V95 WeakPolarHBondContact O-CA 3.25Å; V91-V95 PolarHBondContact O-N 3.41Å; V91-L98 HydrophobicContact CB-CD1 4.46Å; V91-L98 HydrophobicContact CG1-CD1 3.92Å
92M91.6Very high90.1Very high98 Ų9868.3 Ų68.348%0.48332%0.324SS..Hα-helixtrans-69.5-36.5176.4-70.9-62.4-58.400112.3E88 K89 H94E88-M92 VanDerWaalsContact O-CG 3.31Å; E88-M92 WeakPolarHBondContact O-CG 3.42Å; E88-M92 PolarHBondContact O-N 3.46Å; E88-M92 VanDerWaalsContact O-N 3.11Å; K89-M92 PolarHBondContact O-N 3.44Å; M92-H94 VanDerWaalsContact C-N 3.28Å; M92-H94 PolarHBondContact O-N 3.21Å
93D92.9Very high90.4Very high105 Ų10568.5 Ų68.556%0.56133%0.328SS*.Hα-helixtrans-68.5-26.3178.9-70.1-17.5000112.3K89 S90K89-D93 PolarHBondContact O-N 3.21Å; S90-D93 PolarHBondContact O-N 2.66Å
94H91.9Very high90.6Very high66 Ų6671.9 Ų71.931%0.30634%0.344SS..THydrogen-bonded Turntrans-116.428.9-179.7-57.581.8000113.2S90 V91 M92 F96 E97 L98S90-H94 PolarHBondContact O-N 3.48Å; S90-H94 PolarHBondContact O-ND1 3.4Å; V91-H94 CarbonylContact O-C 3.5Å; M92-H94 VanDerWaalsContact C-N 3.28Å; M92-H94 PolarHBondContact O-N 3.21Å; H94-F96 VanDerWaalsContact C-N 3.29Å; H94-F96 PolarHBondContact O-N 3.13Å; H94-E97 WeakPolarHBondContact CA-OE2 3.31Å; H94-E97 PolarHBondContact O-N 3.43Å; H94-L98 VanDerWaalsContact O-CG 3.28Å; H94-L98 WeakPolarHBondContact O-CG 3.16Å; H94-L98 PolarHBondContact O-N 3.16Å; H94-L98 VanDerWaalsContact O-N 3.07Å
95V93.3Very high91.4Very high35 Ų3562.4 Ų62.421%0.21230%0.3CS..Hα-helixtrans-62.8-34.9-172.168.70000112.5M2 V91 V99M2-V95 HydrophobicContact CB-CG2 4.41Å; M2-V95 HydrophobicContact CG-CG2 4.11Å; M2-V95 HydrophobicContact SD-CG2 3.8Å; V91-V95 WeakPolarHBondContact O-CA 3.25Å; V91-V95 PolarHBondContact O-N 3.41Å; V95-V99 VanDerWaalsContact O-CG2 3.24Å; V95-V99 WeakPolarHBondContact O-CG2 3.24Å; V95-V99 PolarHBondContact O-N 3.14Å
96F92.7Very high91.9Very high147 Ų14756.2 Ų56.265%0.64527%0.274SS*.Hα-helixtrans-74.3-43-177-69.6-70.9000111.5H94 L98 V99 F100H94-F96 VanDerWaalsContact C-N 3.29Å; H94-F96 PolarHBondContact O-N 3.13Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.15Å; F96-V99 PolarHBondContact O-N 3.37Å; F96-F100 HydrophobicContact CB-CE2 4.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.45Å; F96-F100 WeakPolarHBondContact O-CG 3.31Å; F96-F100 PolarHBondContact O-N 2.89Å
97E91.9Very high92.3Very high72 Ų7257.7 Ų57.734%0.33629%0.286SS..Hα-helixtrans-60-42.5174.9-6282.2173.500110.6Y82 H94 F100 A101Y82-E97 HydrophobicContact CD1-CB 3.78Å; Y82-E97 HydrophobicContact CD1-CG 4.38Å; Y82-E97 HydrophobicContact CE1-CB 4.02Å; Y82-E97 HydrophobicContact CG-CB 4.26Å; H94-E97 WeakPolarHBondContact CA-OE2 3.31Å; H94-E97 PolarHBondContact O-N 3.43Å; E97-F100 PolarHBondContact O-N 3.22Å; E97-A101 VanDerWaalsContact O-CB 3.31Å; E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.44Å
98L93.1Very high92.4Very high1 Ų162.7 Ų62.71%0.00531%0.312CS..Hα-helixtrans-65.1-42.2174.2-69.4173.5000112.2M2 V78 V79 Y82 V91 H94 F96 A101 F102M2-L98 HydrophobicContact CE-CB 4.23Å; M2-L98 HydrophobicContact SD-CB 4.12Å; V78-L98 HydrophobicContact CG1-CD2 4.16Å; V79-L98 HydrophobicContact CG2-CD2 4.29Å; Y82-L98 HydrophobicContact CD2-CD2 4.04Å; V91-L98 HydrophobicContact CB-CD1 4.46Å; V91-L98 HydrophobicContact CG1-CD1 3.92Å; H94-L98 VanDerWaalsContact O-CG 3.28Å; H94-L98 WeakPolarHBondContact O-CG 3.16Å; H94-L98 PolarHBondContact O-N 3.16Å; H94-L98 VanDerWaalsContact O-N 3.07Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.15Å; L98-A101 PolarHBondContact O-N 2.9Å; L98-F102 HydrophobicContact CB-CZ 4.36Å; L98-F102 HydrophobicContact CD2-CE1 4.29Å; L98-F102 HydrophobicContact CD2-CZ 4.34Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD1 3.17Å; L98-F102 WeakPolarHBondContact O-CG 2.96Å; L98-F102 PolarHBondContact O-N 2.86Å
99V93.9Very high92.2Very high29 Ų2959 Ų5918%0.17631%0.305CS..Hα-helixtrans-59-48.4175.6168.60000110.7M2 V95 F96 F102 D103M2-V99 HydrophobicContact CE-CB 4.21Å; M2-V99 HydrophobicContact CE-CG2 3.33Å; M2-V99 HydrophobicContact SD-CG2 4.45Å; V95-V99 VanDerWaalsContact O-CG2 3.24Å; V95-V99 WeakPolarHBondContact O-CG2 3.24Å; V95-V99 PolarHBondContact O-N 3.14Å; F96-V99 PolarHBondContact O-N 3.37Å; V99-F102 PolarHBondContact O-N 2.91Å; V99-D103 PolarHBondContact O-N 2.6Å
100F93.4Very high92.1Very high115 Ų11560.5 Ų60.550%0.50431%0.308SS..Hα-helixtrans-63.6-46.9-180-61.7-38.9000111.3F96 E97 F102 D103 E104 V123F96-F100 HydrophobicContact CB-CE2 4.3Å; F96-F100 WeakPolarHBondContact O-CD2 3.45Å; F96-F100 WeakPolarHBondContact O-CG 3.31Å; F96-F100 PolarHBondContact O-N 2.89Å; E97-F100 PolarHBondContact O-N 3.22Å; F100-F102 PolarHBondContact O-N 3.36Å; F100-D103 PolarHBondContact O-N 3.38Å; F100-E104 PolarHBondContact O-N 3.2Å; F100-V123 HydrophobicContact CB-CG1 4.33Å; F100-V123 HydrophobicContact CB-CG2 4.31Å
101A94Very high92.1Very high0 Ų061.8 Ų61.80%031%0.309CS..Hα-helixtrans-60.5-33.9175.800000112.6V78 Y82 E97 L98 E104 I105 I119 V123V78-A101 HydrophobicContact CG1-CB 3.62Å; Y82-A101 HydrophobicContact CE2-CB 3.73Å; E97-A101 VanDerWaalsContact O-CB 3.31Å; E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.44Å; L98-A101 PolarHBondContact O-N 2.9Å; A101-E104 PolarHBondContact O-N 2.89Å; A101-I105 WeakPolarHBondContact O-CG1 2.93Å; A101-I105 PolarHBondContact O-N 3.45Å; A101-I119 HydrophobicContact CB-CG2 3.78Å; A101-V123 HydrophobicContact CB-CG2 4.02Å
102F94.9Very high92.2Very high23 Ų2365 Ų6510%0.10132%0.323CS..Hα-helixtrans-72.8-35.1178.4-74.13.7000112.9M2 F6 F75 V78 V79 L98 V99 F100 E104 I105 V106M2-F102 HydrophobicContact CE-CD2 3.53Å; M2-F102 HydrophobicContact CE-CE2 3.65Å; M2-F102 HydrophobicContact SD-CE2 4.24Å; F6-F102 HydrophobicContact CZ-CB 4.26Å; F75-F102 HydrophobicContact CD1-CB 4.41Å; F75-F102 AromaticContact CD1-CD1 3.41Å; F75-F102 HydrophobicContact CD1-CD1 3.41Å; F75-F102 VanDerWaalsContact CD1-CD1 3.41Å; F75-F102 HydrophobicContact CD1-CD2 4.12Å; F75-F102 AromaticContact CD1-CE1 3.58Å; F75-F102 HydrophobicContact CD1-CE1 3.58Å; F75-F102 HydrophobicContact CD1-CE2 4.26Å; F75-F102 AromaticContact CD1-CG 3.71Å; F75-F102 HydrophobicContact CD1-CG 3.71Å; F75-F102 HydrophobicContact CD1-CZ 4.01Å; F75-F102 HydrophobicContact CE1-CB 3.65Å; F75-F102 AromaticContact CE1-CD1 3.56Å; F75-F102 HydrophobicContact CE1-CD1 3.56Å; F75-F102 AromaticContact CE1-CD2 3.93Å; F75-F102 HydrophobicContact CE1-CD2 3.93Å; F75-F102 HydrophobicContact CE1-CE1 4.19Å; F75-F102 AromaticContact CE1-CG 3.42Å; F75-F102 HydrophobicContact CE1-CG 3.42Å; F75-F102 VanDerWaalsContact CE1-CG 3.42Å; V78-F102 HydrophobicContact CB-CE1 4.35Å; V78-F102 HydrophobicContact CG1-CD1 4.17Å; V78-F102 HydrophobicContact CG1-CE1 3.84Å; V79-F102 HydrophobicContact CG2-CZ 4.13Å; L98-F102 HydrophobicContact CB-CZ 4.36Å; L98-F102 HydrophobicContact CD2-CE1 4.29Å; L98-F102 HydrophobicContact CD2-CZ 4.34Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 WeakPolarHBondContact O-CD1 3.17Å; L98-F102 WeakPolarHBondContact O-CG 2.96Å; L98-F102 PolarHBondContact O-N 2.86Å; V99-F102 PolarHBondContact O-N 2.91Å; F100-F102 PolarHBondContact O-N 3.36Å; F102-E104 VanDerWaalsContact C-N 3.28Å; F102-I105 HydrophobicContact CD1-CD1 4.17Å; F102-I105 PolarHBondContact O-N 3.11Å; F102-V106 PolarHBondContact O-N 2.92Å
103D94.4Very high92Very high47 Ų4765.6 Ų65.625%0.25133%0.328SS..Hα-helixtrans-67.3-29.7173.9-72.4-17.2000111.9R4 V99 F100 I105R4-D103 IonicContact CZ-OD1 2.67Å; R4-D103 IonicContact CZ-OD2 3.26Å; R4-D103 IonicContact NE-OD1 2.82Å; R4-D103 PolarHBondContact NE-OD1 3.45Å; R4-D103 IonicContact NE-OD2 3.55Å; R4-D103 IonicContact NH2-OD1 3.66Å; R4-D103 PolarHBondContact NH2-OD1 3.26Å; R4-D103 IonicContact NH2-OD2 3.39Å; R4-D103 PolarHBondContact NH2-OD2 3.05Å; V99-D103 PolarHBondContact O-N 2.6Å; F100-D103 PolarHBondContact O-N 3.38Å; D103-I105 VanDerWaalsContact C-N 3.32Å
104E93.9Very high91.8Very high72 Ų7261.5 Ų61.534%0.33631%0.306SS..Hα-helixtrans-72.8-21.3171.9-62.3-54.9129.300113.3F100 A101 F102 E112 V114 I119 Y122 V123F100-E104 PolarHBondContact O-N 3.2Å; A101-E104 PolarHBondContact O-N 2.89Å; F102-E104 VanDerWaalsContact C-N 3.28Å; E104-E112 WeakPolarHBondContact O-CB 3.24Å; E104-V114 VanDerWaalsContact O-CG2 3.24Å; E104-V114 WeakPolarHBondContact O-CG2 3.49Å; E104-I119 HydrophobicContact CB-CG1 4.31Å; E104-I119 HydrophobicContact CB-CG2 4.25Å; E104-Y122 WeakPolarHBondContact OE2-CD2 3.45Å; E104-V123 HydrophobicContact CG-CG2 4.21Å
105I94.9Very high91.7Very high0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-83.3-40.7177.9-61.9166000111.3T71 L74 F75 V78 A101 F102 D103 E112 I119T71-I105 HydrophobicContact CG2-CG2 4.11Å; L74-I105 HydrophobicContact CD2-CG1 4.18Å; L74-I105 HydrophobicContact CD2-CG2 4Å; L74-I105 HydrophobicContact CG-CD1 4.16Å; L74-I105 HydrophobicContact CG-CG1 4.15Å; L74-I105 HydrophobicContact CG-CG2 4.34Å; F75-I105 HydrophobicContact CD1-CD1 3.7Å; F75-I105 HydrophobicContact CD2-CG2 4.21Å; F75-I105 HydrophobicContact CE1-CB 4.34Å; F75-I105 HydrophobicContact CE1-CD1 3.85Å; F75-I105 HydrophobicContact CE2-CB 4.44Å; F75-I105 HydrophobicContact CE2-CG2 3.8Å; F75-I105 HydrophobicContact CG-CD1 4.05Å; F75-I105 HydrophobicContact CZ-CB 4.08Å; F75-I105 HydrophobicContact CZ-CD1 4.33Å; F75-I105 HydrophobicContact CZ-CG2 3.95Å; V78-I105 HydrophobicContact CG2-CD1 3.97Å; A101-I105 WeakPolarHBondContact O-CG1 2.93Å; A101-I105 PolarHBondContact O-N 3.45Å; F102-I105 HydrophobicContact CD1-CD1 4.17Å; F102-I105 PolarHBondContact O-N 3.11Å; D103-I105 VanDerWaalsContact C-N 3.32Å; I105-E112 PolarHBondContact O-N 3.26Å; I105-I119 HydrophobicContact CD1-CD1 4.27Å; I105-I119 HydrophobicContact CG1-CD1 3.59Å; I105-I119 HydrophobicContact CG1-CG1 4.48Å
106V94.2Very high91.5Very high14 Ų1461.8 Ų61.89%0.08531%0.309CS..EExtended strand (participates in β ladder)trans-134.4120.2-175.8178.40000110.1F6 T71 F75 F102 Y110F6-V106 HydrophobicContact CB-CG1 3.85Å; F6-V106 HydrophobicContact CD1-CB 3.85Å; F6-V106 HydrophobicContact CD1-CG1 3.74Å; F6-V106 VanDerWaalsContact CD1-O 3.25Å; F6-V106 WeakPolarHBondContact CD1-O 3.39Å; F6-V106 HydrophobicContact CD2-CB 4.27Å; F6-V106 HydrophobicContact CD2-CG1 4.03Å; F6-V106 HydrophobicContact CE1-CB 3.84Å; F6-V106 HydrophobicContact CE1-CG1 4.26Å; F6-V106 VanDerWaalsContact CE1-O 3.28Å; F6-V106 WeakPolarHBondContact CE1-O 3.24Å; F6-V106 HydrophobicContact CE2-CB 4.26Å; F6-V106 HydrophobicContact CG-CB 4.06Å; F6-V106 HydrophobicContact CG-CG1 3.6Å; F6-V106 HydrophobicContact CZ-CB 4.03Å; T71-V106 HydrophobicContact CG2-CG2 3.88Å; F75-V106 HydrophobicContact CE2-CG2 3.78Å; F75-V106 HydrophobicContact CZ-CB 4.47Å; F75-V106 HydrophobicContact CZ-CG2 3.78Å; F102-V106 PolarHBondContact O-N 2.92Å; V106-Y110 VanDerWaalsContact CA-O 3.32Å; V106-Y110 WeakPolarHBondContact CA-O 3.32Å; V106-Y110 WeakPolarHBondContact CG1-O 3.32Å
107A90.4Very high91.4Very high36 Ų3658.8 Ų58.830%0.29831%0.306SS..EExtended strand (participates in β ladder)trans-110.7125.1172.900000110.2G109 Y110 E112A107-G109 PolarHBondContact O-N 2.97Å; A107-Y110 PolarHBondContact N-O 3.22Å; A107-Y110 PolarHBondContact O-N 2.87Å; A107-E112 HydrophobicContact CB-CG 4.02Å; A107-E112 WeakPolarHBondContact CB-OE1 3.28Å
108L87.9Confident91.2Very high154 Ų15458.6 Ų58.681%0.80631%0.305SS*.THydrogen-bonded Turntrans52.528.1176.5-56.7174.2000114.6F6F6-L108 CarbonylContact O-C 3.54Å
109G86Confident91Very high37 Ų3758.5 Ų58.538%0.38131%0.305SS..THydrogen-bonded Turntrans88.91.3-17900000115.4F6 A107F6-G109 PolarHBondContact O-N 3.34Å; A107-G109 PolarHBondContact O-N 2.97Å
110Y88.1Confident90.8Very high178 Ų17858.3 Ų58.370%0.69831%0.305SS*.EExtended strand (participates in β ladder)trans-104.5139.4174.9-61.1-83.2000110.7V106 A107 E112V106-Y110 VanDerWaalsContact CA-O 3.32Å; V106-Y110 WeakPolarHBondContact CA-O 3.32Å; V106-Y110 WeakPolarHBondContact CG1-O 3.32Å; A107-Y110 PolarHBondContact N-O 3.22Å; A107-Y110 PolarHBondContact O-N 2.87Å; Y110-E112 PolarHBondContact O-N 3.18Å
111R90.9Very high90.5Very high51 Ų5156.4 Ų56.419%0.19230%0.302CS..EExtended strand (participates in β ladder)trans-67.9127.1174.6175-173.2177.169.3-0.4109.5E67 E70 T71E67-R111 HydrophobicContact CG-CB 4.32Å; E70-R111 IonicContact OE1-CZ 2.85Å; E70-R111 IonicContact OE1-NH2 3.76Å; E70-R111 PolarHBondContact OE1-NH2 3.26Å; T71-R111 VanDerWaalsContact OG1-CD 3.27Å; T71-R111 WeakPolarHBondContact OG1-CD 3.45Å; T71-R111 PolarHBondContact OG1-NH1 3.19Å
112E91.1Very high90.2Very high85 Ų8561.2 Ų61.240%0.39732%0.321SS..  trans-82147.8169.8-70.3-62.5155.900111E104 I105 A107 Y110 V114E104-E112 WeakPolarHBondContact O-CB 3.24Å; I105-E112 PolarHBondContact O-N 3.26Å; A107-E112 HydrophobicContact CB-CG 4.02Å; A107-E112 WeakPolarHBondContact CB-OE1 3.28Å; Y110-E112 PolarHBondContact O-N 3.18Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 HydrophobicContact CB-CG1 4.34Å; E112-V114 HydrophobicContact CB-CG2 4.32Å; E112-V114 PolarHBondContact O-N 2.97Å
113N88.9Confident89.9Confident111 Ų11161.4 Ų61.459%0.59432%0.324SS*.  trans-86.669.6-179.2-170.217.1000111.3N331N113-N331 PolarHBondContact OD1-ND2 2.81Å
114V89.2Confident89.5Confident18 Ų1864.9 Ų64.911%0.10934%0.343CS..  trans-125149.9-177-62.90000112.1L74 E104 E112 I119 Y122L74-V114 HydrophobicContact CD2-CG2 4.43Å; L74-V114 WeakPolarHBondContact CD2-O 3.06Å; E104-V114 VanDerWaalsContact O-CG2 3.24Å; E104-V114 WeakPolarHBondContact O-CG2 3.49Å; E112-V114 VanDerWaalsContact C-N 3.29Å; E112-V114 HydrophobicContact CB-CG1 4.34Å; E112-V114 HydrophobicContact CB-CG2 4.32Å; E112-V114 PolarHBondContact O-N 2.97Å; V114-I119 HydrophobicContact CB-CG1 4.13Å; V114-I119 HydrophobicContact CG2-CD1 3.88Å; V114-I119 HydrophobicContact CG2-CG1 3.69Å; V114-Y122 HydrophobicContact CG1-CD2 4.41Å; V114-Y122 HydrophobicContact CG1-CE2 3.71Å
115N89.5Confident88.8Confident82 Ų8269 Ų6944%0.43936%0.364SS..  trans-106168.3169.871.751.4000111.5S117 Q118 I119N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 2.73Å; N115-S117 WeakPolarHBondContact OD1-CA 3.32Å; N115-S117 VanDerWaalsContact OD1-CB 3.32Å; N115-S117 WeakPolarHBondContact OD1-CB 3.36Å; N115-S117 PolarHBondContact OD1-N 3.13Å; N115-Q118 VanDerWaalsContact CG-OE1 3.31Å; N115-Q118 PolarHBondContact ND2-OE1 2.83Å; N115-Q118 VanDerWaalsContact ND2-OE1 3.1Å; N115-Q118 PolarHBondContact O-N 2.82Å; N115-Q118 VanDerWaalsContact O-N 3.08Å; N115-Q118 PolarHBondContact OD1-N 3.02Å; N115-I119 WeakPolarHBondContact O-CG1 3.36Å; N115-I119 PolarHBondContact O-N 3.21Å
116L89.5Confident88.1Confident26 Ų2672.9 Ų72.914%0.13639%0.385CS..Hα-helixtrans-53.6-39.6-178.2-176.863000113.5L74 R77 V78 E81 I119 C120L74-L116 HydrophobicContact CD1-CB 4.49Å; R77-L116 HydrophobicContact CB-CD2 4.49Å; V78-L116 HydrophobicContact CB-CD1 4.39Å; V78-L116 HydrophobicContact CG2-CD1 3.53Å; E81-L116 HydrophobicContact CB-CD1 4.42Å; E81-L116 HydrophobicContact CG-CD1 4.5Å; L116-I119 PolarHBondContact O-N 2.76Å; L116-C120 PolarHBondContact O-N 2.99Å; L116-C120 VanDerWaalsContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3.18Å
117S88.7Confident87.4Confident84 Ų8474.6 Ų74.659%0.58740%0.397SS*.Hα-helixtrans-68.9-39.6-180-173.50000112N115 C120 T121N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 2.73Å; N115-S117 WeakPolarHBondContact OD1-CA 3.32Å; N115-S117 VanDerWaalsContact OD1-CB 3.32Å; N115-S117 WeakPolarHBondContact OD1-CB 3.36Å; N115-S117 PolarHBondContact OD1-N 3.13Å; S117-C120 PolarHBondContact O-N 2.79Å; S117-T121 PolarHBondContact O-N 3.03Å; S117-T121 PolarHBondContact O-OG1 3.15Å
118Q88.2Confident86.7Confident67 Ų6778.7 Ų78.731%0.31341%0.41SS..Hα-helixtrans-65.7-43.1176.5-70171.8-63.300110.8N115 C120 T121 Y122N115-Q118 VanDerWaalsContact CG-OE1 3.31Å; N115-Q118 PolarHBondContact ND2-OE1 2.83Å; N115-Q118 VanDerWaalsContact ND2-OE1 3.1Å; N115-Q118 PolarHBondContact O-N 2.82Å; N115-Q118 VanDerWaalsContact O-N 3.08Å; N115-Q118 PolarHBondContact OD1-N 3.02Å; Q118-C120 VanDerWaalsContact C-N 3.31Å; Q118-C120 PolarHBondContact O-N 3.13Å; Q118-T121 PolarHBondContact O-N 2.93Å; Q118-T121 VanDerWaalsContact O-N 3.14Å; Q118-Y122 HydrophobicContact CB-CE1 4.42Å; Q118-Y122 HydrophobicContact CB-CE2 4.08Å; Q118-Y122 VanDerWaalsContact O-CD1 3.32Å; Q118-Y122 WeakPolarHBondContact O-CD1 3.24Å; Q118-Y122 PolarHBondContact O-N 2.98Å
119I90.2Very high86.3Confident0 Ų077.2 Ų77.20%040%0.403CS..Hα-helixtrans-56.4-46.5176.8-65.5162.4000110.5L74 V78 A101 E104 I105 V114 N115 L116 T121 Y122 V123L74-I119 HydrophobicContact CD1-CD1 3.97Å; L74-I119 HydrophobicContact CD2-CD1 4.05Å; L74-I119 HydrophobicContact CG-CD1 4.06Å; V78-I119 HydrophobicContact CG2-CD1 4.17Å; A101-I119 HydrophobicContact CB-CG2 3.78Å; E104-I119 HydrophobicContact CB-CG1 4.31Å; E104-I119 HydrophobicContact CB-CG2 4.25Å; I105-I119 HydrophobicContact CD1-CD1 4.27Å; I105-I119 HydrophobicContact CG1-CD1 3.59Å; I105-I119 HydrophobicContact CG1-CG1 4.48Å; V114-I119 HydrophobicContact CB-CG1 4.13Å; V114-I119 HydrophobicContact CG2-CD1 3.88Å; V114-I119 HydrophobicContact CG2-CG1 3.69Å; N115-I119 WeakPolarHBondContact O-CG1 3.36Å; N115-I119 PolarHBondContact O-N 3.21Å; L116-I119 PolarHBondContact O-N 2.76Å; I119-T121 PolarHBondContact O-N 3.05Å; I119-Y122 PolarHBondContact O-N 2.86Å; I119-V123 HydrophobicContact CG2-CG2 4.15Å; I119-V123 WeakPolarHBondContact O-CB 3.48Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.07Å
120C88.3Confident86Confident25 Ų2579.6 Ų79.617%0.16940%0.404CS..Hα-helixtrans-59.6-46.2177.8-61.30000111.5L116 S117 Q118 Y122 V123 D124L116-C120 PolarHBondContact O-N 2.99Å; L116-C120 VanDerWaalsContact O-N 3.15Å; L116-C120 PolarHBondContact O-SG 3.18Å; S117-C120 PolarHBondContact O-N 2.79Å; Q118-C120 VanDerWaalsContact C-N 3.31Å; Q118-C120 PolarHBondContact O-N 3.13Å; C120-Y122 VanDerWaalsContact C-N 3.33Å; C120-Y122 PolarHBondContact O-N 3.2Å; C120-V123 PolarHBondContact O-N 3.09Å; C120-D124 VanDerWaalsContact O-CG 3.24Å; C120-D124 PolarHBondContact O-N 3.08Å
121T86.9Confident85.9Confident74 Ų7476.6 Ų76.645%0.45439%0.392SS..Hα-helixtrans-62.7-37.2176.8-57.40000113S117 Q118 I119S117-T121 PolarHBondContact O-N 3.03Å; S117-T121 PolarHBondContact O-OG1 3.15Å; Q118-T121 PolarHBondContact O-N 2.93Å; Q118-T121 VanDerWaalsContact O-N 3.14Å; I119-T121 PolarHBondContact O-N 3.05Å
122Y88.3Confident85.7Confident101 Ų10176.5 Ų76.540%0.39640%0.396SS..Hα-helixtrans-72-41.3179.3-60.5-13.6000111.5E104 V114 Q118 I119 C120 D124 M125E104-Y122 WeakPolarHBondContact OE2-CD2 3.45Å; V114-Y122 HydrophobicContact CG1-CD2 4.41Å; V114-Y122 HydrophobicContact CG1-CE2 3.71Å; Q118-Y122 HydrophobicContact CB-CE1 4.42Å; Q118-Y122 HydrophobicContact CB-CE2 4.08Å; Q118-Y122 VanDerWaalsContact O-CD1 3.32Å; Q118-Y122 WeakPolarHBondContact O-CD1 3.24Å; Q118-Y122 PolarHBondContact O-N 2.98Å; I119-Y122 PolarHBondContact O-N 2.86Å; C120-Y122 VanDerWaalsContact C-N 3.33Å; C120-Y122 PolarHBondContact O-N 3.2Å; Y122-D124 VanDerWaalsContact C-N 3.28Å; Y122-D124 PolarHBondContact O-N 3.27Å; Y122-M125 WeakPolarHBondContact O-CA 3.28Å; Y122-M125 PolarHBondContact O-N 3.47Å
123V88.1Confident85.6Confident27 Ų2778.9 Ų78.916%0.16440%0.403CS..Hα-helixtrans-65.8-31.2175.6174.40000111.7F100 A101 E104 I119 C120 M125F100-V123 HydrophobicContact CB-CG1 4.33Å; F100-V123 HydrophobicContact CB-CG2 4.31Å; A101-V123 HydrophobicContact CB-CG2 4.02Å; E104-V123 HydrophobicContact CG-CG2 4.21Å; I119-V123 HydrophobicContact CG2-CG2 4.15Å; I119-V123 WeakPolarHBondContact O-CB 3.48Å; I119-V123 VanDerWaalsContact O-CG2 3.23Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.07Å; C120-V123 PolarHBondContact O-N 3.09Å; V123-M125 PolarHBondContact O-N 3Å
124D86.1Confident85.7Confident120 Ų12079.9 Ų79.964%0.64240%0.399SS*.THydrogen-bonded Turntrans-66.8-15.4172.6-74.6-20.5000113C120 Y122 D126C120-D124 VanDerWaalsContact O-CG 3.24Å; C120-D124 PolarHBondContact O-N 3.08Å; Y122-D124 VanDerWaalsContact C-N 3.28Å; Y122-D124 PolarHBondContact O-N 3.27Å; D124-D126 PolarHBondContact O-N 3.1Å
125M80.2Confident85.7Confident158 Ų15885.3 Ų85.378%0.77842%0.424SS*.THydrogen-bonded Turntrans53.918.9-180-53.8179.178.800114.3Y122 V123 S127Y122-M125 WeakPolarHBondContact O-CA 3.28Å; Y122-M125 PolarHBondContact O-N 3.47Å; V123-M125 PolarHBondContact O-N 3Å; M125-S127 PolarHBondContact O-N 3.39Å; M125-S127 VanDerWaalsContact O-N 3.15Å
126D78.8Confident85.8Confident83 Ų8385.6 Ų85.644%0.44442%0.424SS..  trans-84.387.5179.5-179.327.8000111D124 R131D124-D126 PolarHBondContact O-N 3.1Å; D126-R131 WeakPolarHBondContact OD1-CD 3.33Å; D126-R131 IonicContact OD1-CZ 3.15Å; D126-R131 IonicContact OD1-NE 2.68Å; D126-R131 PolarHBondContact OD1-NE 3.41Å; D126-R131 IonicContact OD1-NH1 3.11Å; D126-R131 PolarHBondContact OD1-NH1 3.17Å; D126-R131 IonicContact OD1-NH2 3Å; D126-R131 IonicContact OD2-CZ 3.75Å; D126-R131 IonicContact OD2-NH1 2.79Å; D126-R131 PolarHBondContact OD2-NH1 3.25Å; D126-R131 IonicContact OD2-NH2 2.84Å; D126-R131 PolarHBondContact OD2-NH2 3.07Å; D126-R131 VanDerWaalsContact OD2-NH2 3.15Å
127S79.4Confident85.9Confident50 Ų5088.6 Ų88.635%0.3544%0.436SS..  trans-80.2126.5176.3179.20000112M125 D129 E130 R131M125-S127 PolarHBondContact O-N 3.39Å; M125-S127 VanDerWaalsContact O-N 3.15Å; S127-D129 VanDerWaalsContact C-N 3.28Å; S127-D129 PolarHBondContact O-N 3.46Å; S127-D129 PolarHBondContact OG-N 2.99Å; S127-E130 PolarHBondContact O-N 3.42Å; S127-E130 PolarHBondContact OG-N 3.48Å; S127-R131 PolarHBondContact O-N 3.18Å; S127-R131 VanDerWaalsContact O-N 3.16Å
128H76.5Confident86.2Confident122 Ų12290.6 Ų90.657%0.56543%0.434SS*.Hα-helixtrans-59-41.3170.9-178.472000111.9E130 R131 V132H128-E130 VanDerWaalsContact C-N 3.3Å; H128-E130 PolarHBondContact O-N 3.2Å; H128-R131 PolarHBondContact O-N 3.31Å; H128-V132 WeakPolarHBondContact O-CG2 3.13Å; H128-V132 PolarHBondContact O-N 3.45Å
129D79.5Confident86.4Confident123 Ų12390.8 Ų90.866%0.65844%0.443SS*.Hα-helixtrans-64.7-36.9-178.9-67-15.4000111.3S127 V132 Y133S127-D129 VanDerWaalsContact C-N 3.28Å; S127-D129 PolarHBondContact O-N 3.46Å; S127-D129 PolarHBondContact OG-N 2.99Å; D129-V132 PolarHBondContact O-N 2.83Å; D129-Y133 WeakPolarHBondContact O-CB 3.25Å; D129-Y133 PolarHBondContact O-N 3.11Å
130E80.1Confident86.6Confident87 Ų8796.6 Ų96.641%0.40747%0.47SS..Hα-helixtrans-66.5-42.6175-175.6175-166.300111.6S127 H128 V132 Y133 Y134S127-E130 PolarHBondContact O-N 3.42Å; S127-E130 PolarHBondContact OG-N 3.48Å; H128-E130 VanDerWaalsContact C-N 3.3Å; H128-E130 PolarHBondContact O-N 3.2Å; E130-V132 PolarHBondContact O-N 3.43Å; E130-Y133 PolarHBondContact O-N 3.45Å; E130-Y134 HydrophobicContact CG-CD2 3.72Å; E130-Y134 HydrophobicContact CG-CE2 3.27Å; E130-Y134 WeakPolarHBondContact O-CD2 3.42Å; E130-Y134 PolarHBondContact O-N 2.84Å; E130-Y134 WeakPolarHBondContact OE1-CE2 3.39Å; E130-Y134 PolarHBondContact OE1-OH 3.25Å
131R85.5Confident86.8Confident115 Ų115100.9 Ų100.943%0.43449%0.487SS..Hα-helixtrans-60.4-45.2174.6-71.9-172.8-68.4-146.1-16.2112D126 S127 H128 Y133 Y134 Q135D126-R131 WeakPolarHBondContact OD1-CD 3.33Å; D126-R131 IonicContact OD1-CZ 3.15Å; D126-R131 IonicContact OD1-NE 2.68Å; D126-R131 PolarHBondContact OD1-NE 3.41Å; D126-R131 IonicContact OD1-NH1 3.11Å; D126-R131 PolarHBondContact OD1-NH1 3.17Å; D126-R131 IonicContact OD1-NH2 3Å; D126-R131 IonicContact OD2-CZ 3.75Å; D126-R131 IonicContact OD2-NH1 2.79Å; D126-R131 PolarHBondContact OD2-NH1 3.25Å; D126-R131 IonicContact OD2-NH2 2.84Å; D126-R131 PolarHBondContact OD2-NH2 3.07Å; D126-R131 VanDerWaalsContact OD2-NH2 3.15Å; S127-R131 PolarHBondContact O-N 3.18Å; S127-R131 VanDerWaalsContact O-N 3.16Å; H128-R131 PolarHBondContact O-N 3.31Å; R131-Y133 VanDerWaalsContact C-N 3.35Å; R131-Y134 PolarHBondContact O-N 2.9Å; R131-Q135 VanDerWaalsContact O-CG 3.29Å; R131-Q135 WeakPolarHBondContact O-CG 3.33Å; R131-Q135 PolarHBondContact O-N 2.8Å
132V86.7Confident87.2Confident48 Ų48102.9 Ų102.929%0.29149%0.492SS..Hα-helixtrans-62.8-43.7176.9172.40000110.4H128 D129 E130 Y134 Q135 I136H128-V132 WeakPolarHBondContact O-CG2 3.13Å; H128-V132 PolarHBondContact O-N 3.45Å; D129-V132 PolarHBondContact O-N 2.83Å; E130-V132 PolarHBondContact O-N 3.43Å; V132-Y134 PolarHBondContact O-N 3.03Å; V132-Q135 WeakPolarHBondContact O-CB 3.42Å; V132-Q135 PolarHBondContact O-N 2.98Å; V132-I136 HydrophobicContact CG1-CD1 3.77Å; V132-I136 HydrophobicContact CG1-CG1 4.37Å; V132-I136 WeakPolarHBondContact O-CG1 3.34Å; V132-I136 PolarHBondContact O-N 3.48Å
133Y89.2Confident87.4Confident135 Ų135104.2 Ų104.253%0.52950%0.501SS..Hα-helixtrans-58.5-48.8176.8175.4-95.8000112.2D129 E130 R131 Q135 I136 K137D129-Y133 WeakPolarHBondContact O-CB 3.25Å; D129-Y133 PolarHBondContact O-N 3.11Å; E130-Y133 PolarHBondContact O-N 3.45Å; R131-Y133 VanDerWaalsContact C-N 3.35Å; Y133-Q135 VanDerWaalsContact C-N 3.3Å; Y133-Q135 PolarHBondContact O-N 2.7Å; Y133-I136 PolarHBondContact O-N 3.39Å; Y133-K137 HydrophobicContact CE1-CD 4.15Å; Y133-K137 WeakPolarHBondContact O-CB 3.49Å; Y133-K137 PolarHBondContact O-N 3.01Å
134Y90Very high87.6Confident132 Ų132105.8 Ų105.852%0.51852%0.517SS..Hα-helixtrans-63.3-35.9177.2-74-55.5000112.6E130 R131 V132 K138E130-Y134 HydrophobicContact CG-CD2 3.72Å; E130-Y134 HydrophobicContact CG-CE2 3.27Å; E130-Y134 WeakPolarHBondContact O-CD2 3.42Å; E130-Y134 PolarHBondContact O-N 2.84Å; E130-Y134 WeakPolarHBondContact OE1-CE2 3.39Å; E130-Y134 PolarHBondContact OE1-OH 3.25Å; R131-Y134 PolarHBondContact O-N 2.9Å; V132-Y134 PolarHBondContact O-N 3.03Å; Y134-K138 WeakPolarHBondContact O-CB 3.32Å; Y134-K138 PolarHBondContact O-N 3.13Å
135Q89.2Confident88Confident133 Ų133108.2 Ų108.262%0.62152%0.517SS*.Hα-helixtrans-64.6-46.2174.9-74.2175.32.400111.8R131 V132 Y133 K138 S139R131-Q135 VanDerWaalsContact O-CG 3.29Å; R131-Q135 WeakPolarHBondContact O-CG 3.33Å; R131-Q135 PolarHBondContact O-N 2.8Å; V132-Q135 WeakPolarHBondContact O-CB 3.42Å; V132-Q135 PolarHBondContact O-N 2.98Å; Y133-Q135 VanDerWaalsContact C-N 3.3Å; Y133-Q135 PolarHBondContact O-N 2.7Å; Q135-K138 PolarHBondContact O-N 2.99Å; Q135-S139 WeakPolarHBondContact O-CB 3.48Å; Q135-S139 PolarHBondContact O-N 3.03Å
136I92.4Very high88.7Confident87 Ų87107.4 Ų107.445%0.44651%0.51SS..Hα-helixtrans-61.8-48.1176.9-68169.2000110.2V132 Y133 K138 S139 Q140V132-I136 HydrophobicContact CG1-CD1 3.77Å; V132-I136 HydrophobicContact CG1-CG1 4.37Å; V132-I136 WeakPolarHBondContact O-CG1 3.34Å; V132-I136 PolarHBondContact O-N 3.48Å; Y133-I136 PolarHBondContact O-N 3.39Å; I136-K138 PolarHBondContact O-N 3.1Å; I136-S139 PolarHBondContact O-N 3.02Å; I136-Q140 HydrophobicContact CG2-CG 4.41Å; I136-Q140 WeakPolarHBondContact O-CG 3.38Å; I136-Q140 PolarHBondContact O-N 3.32Å
137K92.7Very high89.4Confident89 Ų89107.6 Ų107.639%0.38751%0.51SS..Hα-helixtrans-58.5-48.1178.8-176.1178.8178.21780111.4Y133 S139 Q140 E141Y133-K137 HydrophobicContact CE1-CD 4.15Å; Y133-K137 WeakPolarHBondContact O-CB 3.49Å; Y133-K137 PolarHBondContact O-N 3.01Å; K137-S139 PolarHBondContact O-N 2.86Å; K137-Q140 PolarHBondContact O-N 3.08Å; K137-E141 VanDerWaalsContact CE-OE1 3.23Å; K137-E141 WeakPolarHBondContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact O-CG 3.21Å; K137-E141 PolarHBondContact O-N 3.06Å
138K93.9Very high90Very high127 Ų127108 Ų10855%0.55252%0.517SS*.Hα-helixtrans-61.4-42.6177.5-173.2178.7178.6-1760112Y134 Q135 I136 E141 E142Y134-K138 WeakPolarHBondContact O-CB 3.32Å; Y134-K138 PolarHBondContact O-N 3.13Å; Q135-K138 PolarHBondContact O-N 2.99Å; I136-K138 PolarHBondContact O-N 3.1Å; K138-E141 PolarHBondContact O-N 3.31Å; K138-E142 VanDerWaalsContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact CE-OE1 3.48Å; K138-E142 WeakPolarHBondContact O-CB 3.28Å; K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 3.4Å
139S92.7Very high90.8Very high70 Ų70107.3 Ų107.349%0.4951%0.512SS..Hα-helixtrans-62.7-42.2176.4-172.80000112Q135 I136 K137 E142 E143Q135-S139 WeakPolarHBondContact O-CB 3.48Å; Q135-S139 PolarHBondContact O-N 3.03Å; I136-S139 PolarHBondContact O-N 3.02Å; K137-S139 PolarHBondContact O-N 2.86Å; S139-E142 PolarHBondContact O-N 2.87Å; S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 2.77Å
140Q93.4Very high91.5Very high123 Ų123105.1 Ų105.158%0.57550%0.5SS*.Hα-helixtrans-64.9-42.3176.7-72.7177.84.500111.9I136 K137 E143 A144I136-Q140 HydrophobicContact CG2-CG 4.41Å; I136-Q140 WeakPolarHBondContact O-CG 3.38Å; I136-Q140 PolarHBondContact O-N 3.32Å; K137-Q140 PolarHBondContact O-N 3.08Å; Q140-E143 PolarHBondContact O-N 3.42Å; Q140-A144 VanDerWaalsContact O-CB 3.28Å; Q140-A144 WeakPolarHBondContact O-CB 3.37Å; Q140-A144 PolarHBondContact O-N 3.45Å
141E93.7Very high92.1Very high114 Ų114107 Ų10753%0.53351%0.508SS..Hα-helixtrans-62.4-42.3175.6-73.5175.6-169.600111.9K137 K138 R145K137-E141 VanDerWaalsContact CE-OE1 3.23Å; K137-E141 WeakPolarHBondContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact O-CG 3.21Å; K137-E141 PolarHBondContact O-N 3.06Å; K138-E141 PolarHBondContact O-N 3.31Å; E141-R145 VanDerWaalsContact O-CB 3.26Å; E141-R145 WeakPolarHBondContact O-CB 3.17Å; E141-R145 PolarHBondContact O-N 3.09Å
142E93.8Very high92.4Very high117 Ų117104.4 Ų104.455%0.54751%0.51SS..Hα-helixtrans-67.2-42.2177.5-74.7179.7-172.800112.4K138 S139 R145 K146K138-E142 VanDerWaalsContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact CE-OE1 3.48Å; K138-E142 WeakPolarHBondContact O-CB 3.28Å; K138-E142 WeakPolarHBondContact O-CG 3.28Å; K138-E142 PolarHBondContact O-N 3.4Å; S139-E142 PolarHBondContact O-N 2.87Å; E142-R145 PolarHBondContact O-N 2.88Å; E142-K146 WeakPolarHBondContact O-CB 2.82Å; E142-K146 PolarHBondContact O-N 3.34Å
143E92.6Very high92.7Very high128 Ų128110.6 Ų110.660%0.59853%0.528SS*.Hα-helixtrans-64.4-46.7175.9-171.2177.8-175.800111.3S139 Q140 R145 K146 L147S139-E143 WeakPolarHBondContact O-CB 3.39Å; S139-E143 PolarHBondContact O-N 2.77Å; Q140-E143 PolarHBondContact O-N 3.42Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 2.98Å; E143-K146 PolarHBondContact O-N 3.45Å; E143-L147 WeakPolarHBondContact O-CB 3.35Å; E143-L147 PolarHBondContact O-N 2.9Å
144A93.4Very high92.7Very high61 Ų61110.9 Ų110.950%0.50453%0.534SS..Hα-helixtrans-60.6-40.9175.700000111.8Q140 L147 A148Q140-A144 VanDerWaalsContact O-CB 3.28Å; Q140-A144 WeakPolarHBondContact O-CB 3.37Å; Q140-A144 PolarHBondContact O-N 3.45Å; A144-L147 PolarHBondContact O-N 3.33Å; A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.03Å; A144-A148 PolarHBondContact O-N 3.06Å
145R95.3Very high92.5Very high170 Ų170109.9 Ų109.964%0.64254%0.537SS*.Hα-helixtrans-65.3-38.5176.1-171.9179-174.2-169.72.9112.1E141 E142 E143 K149E141-R145 VanDerWaalsContact O-CB 3.26Å; E141-R145 WeakPolarHBondContact O-CB 3.17Å; E141-R145 PolarHBondContact O-N 3.09Å; E142-R145 PolarHBondContact O-N 2.88Å; E143-R145 VanDerWaalsContact C-N 3.32Å; E143-R145 PolarHBondContact O-N 2.98Å; R145-K149 VanDerWaalsContact O-CG 3.32Å; R145-K149 WeakPolarHBondContact O-CG 2.79Å; R145-K149 PolarHBondContact O-N 2.99Å; R145-K149 VanDerWaalsContact O-N 3.11Å
146K93.7Very high92.6Very high142 Ų142106.3 Ų106.362%0.61753%0.531SS*.Hα-helixtrans-67.1-47.9176.2-172.1-178.9176.8-173.10110.8E142 E143 A148 K149 D150E142-K146 WeakPolarHBondContact O-CB 2.82Å; E142-K146 PolarHBondContact O-N 3.34Å; E143-K146 PolarHBondContact O-N 3.45Å; K146-A148 VanDerWaalsContact C-N 3.33Å; K146-A148 PolarHBondContact O-N 2.9Å; K146-K149 WeakPolarHBondContact O-CB 3.32Å; K146-K149 PolarHBondContact O-N 3.06Å; K146-K149 VanDerWaalsContact O-N 3.13Å; K146-D150 PolarHBondContact O-N 3.36Å
147L93.5Very high92.5Very high86 Ų86108.3 Ų108.345%0.4554%0.536SS..Hα-helixtrans-64.1-37.4-179.8-151.7150.8000111.7E143 A144 K151E143-L147 WeakPolarHBondContact O-CB 3.35Å; E143-L147 PolarHBondContact O-N 2.9Å; A144-L147 PolarHBondContact O-N 3.33Å; L147-K151 HydrophobicContact CD2-CD 3.82Å; L147-K151 VanDerWaalsContact CD2-CE 3.46Å; L147-K151 HydrophobicContact CD2-CG 4.26Å; L147-K151 WeakPolarHBondContact O-CB 3.01Å; L147-K151 WeakPolarHBondContact O-CG 3.47Å; L147-K151 PolarHBondContact O-N 2.73Å
148A91.4Very high92.3Very high60 Ų60106.6 Ų106.650%0.49654%0.539SS..Hα-helixtrans-65.2-41.7172.500000112.7A144 K146 A152A144-A148 VanDerWaalsContact O-CB 3.26Å; A144-A148 WeakPolarHBondContact O-CB 3.03Å; A144-A148 PolarHBondContact O-N 3.06Å; K146-A148 VanDerWaalsContact C-N 3.33Å; K146-A148 PolarHBondContact O-N 2.9Å; A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.44Å
149K94.9Very high91.9Very high107 Ų107108.2 Ų108.247%0.46555%0.546SS..Hα-helixtrans-65.1-41.7175.7-78.2175.9179.1179.80112.1R145 K146 A152 R153R145-K149 VanDerWaalsContact O-CG 3.32Å; R145-K149 WeakPolarHBondContact O-CG 2.79Å; R145-K149 PolarHBondContact O-N 2.99Å; R145-K149 VanDerWaalsContact O-N 3.11Å; K146-K149 WeakPolarHBondContact O-CB 3.32Å; K146-K149 PolarHBondContact O-N 3.06Å; K146-K149 VanDerWaalsContact O-N 3.13Å; K149-A152 PolarHBondContact O-N 3.48Å; K149-R153 WeakPolarHBondContact O-CB 3.43Å; K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.29Å; K149-R153 PolarHBondContact O-N 2.97Å
150D93.3Very high91.4Very high76 Ų76110.4 Ų110.441%0.40655%0.548SS..Hα-helixtrans-67.6-45.6-180-69.1-19.7000110.9K146 A152 R153 E154K146-D150 PolarHBondContact O-N 3.36Å; D150-A152 PolarHBondContact O-N 2.82Å; D150-R153 PolarHBondContact O-N 3Å; D150-E154 PolarHBondContact O-N 3.35Å
151K92Very high90.9Very high128 Ų128108.9 Ų108.956%0.55754%0.541SS*.Hα-helixtrans-60.8-41.1172.9-77.4-176.7174.31750112.8L147 R153 E154 L155L147-K151 HydrophobicContact CD2-CD 3.82Å; L147-K151 VanDerWaalsContact CD2-CE 3.46Å; L147-K151 HydrophobicContact CD2-CG 4.26Å; L147-K151 WeakPolarHBondContact O-CB 3.01Å; L147-K151 WeakPolarHBondContact O-CG 3.47Å; L147-K151 PolarHBondContact O-N 2.73Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 3.2Å; K151-E154 PolarHBondContact O-N 3.15Å; K151-L155 WeakPolarHBondContact O-CB 3.4Å; K151-L155 WeakPolarHBondContact O-CG 3.02Å; K151-L155 PolarHBondContact O-N 2.97Å
152A92.3Very high90.2Very high59 Ų59106.5 Ų106.549%0.48854%0.541SS..Hα-helixtrans-64.3-39177.400000112.1A148 K149 D150 A156A148-A152 VanDerWaalsContact O-CB 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 3.44Å; K149-A152 PolarHBondContact O-N 3.48Å; D150-A152 PolarHBondContact O-N 2.82Å; A152-A156 WeakPolarHBondContact O-CB 3.21Å; A152-A156 PolarHBondContact O-N 3.11Å
153R93Very high89.5Confident178 Ų178104.6 Ų104.667%0.67255%0.545SS*.Hα-helixtrans-66.5-42.9174.7-76.2172.6172.2-172.8-3.8112K149 D150 K151 A156 K157K149-R153 WeakPolarHBondContact O-CB 3.43Å; K149-R153 VanDerWaalsContact O-CG 3.32Å; K149-R153 WeakPolarHBondContact O-CG 3.29Å; K149-R153 PolarHBondContact O-N 2.97Å; D150-R153 PolarHBondContact O-N 3Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 3.2Å; R153-A156 PolarHBondContact O-N 3.02Å; R153-K157 WeakPolarHBondContact O-CB 3.03Å; R153-K157 PolarHBondContact O-N 3.12Å
154E88.9Confident88.7Confident141 Ų141106 Ų10666%0.65955%0.549SS*.Hα-helixtrans-63-47.1177.1-169-177.4174.200111.4D150 K151 A156 K157 A158D150-E154 PolarHBondContact O-N 3.35Å; K151-E154 PolarHBondContact O-N 3.15Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 3.36Å; E154-K157 PolarHBondContact O-N 2.96Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.39Å
155L86.2Confident87.3Confident111 Ų111113.5 Ų113.558%0.58157%0.565SS**Hα-helixtrans-60.2-40.3175-81160.4000112.3K151 K159K151-L155 WeakPolarHBondContact O-CB 3.4Å; K151-L155 WeakPolarHBondContact O-CG 3.02Å; K151-L155 PolarHBondContact O-N 2.97Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 VanDerWaalsContact O-CG 3.32Å; L155-K159 WeakPolarHBondContact O-CG 3.43Å; L155-K159 PolarHBondContact O-N 2.95Å
156A90.6Very high85.3Confident59 Ų59108.1 Ų108.149%0.48856%0.562SS.*Hα-helixtrans-65.9-43.2176.700000111.9A152 R153 E154 K159 Q160A152-A156 WeakPolarHBondContact O-CB 3.21Å; A152-A156 PolarHBondContact O-N 3.11Å; R153-A156 PolarHBondContact O-N 3.02Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 3.36Å; A156-K159 PolarHBondContact O-N 2.83Å; A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 PolarHBondContact O-N 2.63Å
157K90.5Very high83.1Confident128 Ų128104.7 Ų104.756%0.55757%0.567SS**Hα-helixtrans-65.7-44.5176.9-172.5178.8173.9-173.30111.6R153 E154 K159 Q160 E161R153-K157 WeakPolarHBondContact O-CB 3.03Å; R153-K157 PolarHBondContact O-N 3.12Å; E154-K157 PolarHBondContact O-N 2.96Å; K157-K159 PolarHBondContact O-N 3.47Å; K157-Q160 PolarHBondContact O-N 2.84Å; K157-Q160 VanDerWaalsContact O-N 3.16Å; K157-E161 WeakPolarHBondContact CE-OE1 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.43Å
158A88.1Confident80.8Confident54 Ų54106.5 Ų106.545%0.44658%0.582SS.*Hα-helixtrans-61.6-42.3176.800000112.1E154 Q160 E161 A162E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.39Å; A158-Q160 VanDerWaalsContact C-N 3.34Å; A158-Q160 PolarHBondContact O-N 3.39Å; A158-E161 PolarHBondContact O-N 3.13Å; A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 3.45Å
159K85.7Confident78.5Confident161 Ų161114.9 Ų114.970%0.760%0.601SS**Hα-helixtrans-61.9-40.4173.1-77.5-178.6177.7-175.50112.2L155 A156 K157 A163L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 VanDerWaalsContact O-CG 3.32Å; L155-K159 WeakPolarHBondContact O-CG 3.43Å; L155-K159 PolarHBondContact O-N 2.95Å; A156-K159 PolarHBondContact O-N 2.83Å; K157-K159 PolarHBondContact O-N 3.47Å; K159-A163 WeakPolarHBondContact O-CB 3.42Å; K159-A163 PolarHBondContact O-N 2.84Å
160Q83.6Confident76.4Confident115 Ų115116.2 Ų116.254%0.53762%0.618SS.*Hα-helixtrans-69-39.5178-166.6-178.417.400112.3A156 K157 A158 A163 K164A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 PolarHBondContact O-N 2.63Å; K157-Q160 PolarHBondContact O-N 2.84Å; K157-Q160 VanDerWaalsContact O-N 3.16Å; A158-Q160 VanDerWaalsContact C-N 3.34Å; A158-Q160 PolarHBondContact O-N 3.39Å; Q160-A163 PolarHBondContact O-N 2.9Å; Q160-K164 WeakPolarHBondContact O-CG 3.26Å; Q160-K164 PolarHBondContact O-N 2.79Å
161E82.9Confident73.9Confident91 Ų91117.6 Ų117.643%0.42563%0.631SS.*Hα-helixtrans-68.9-39.8176-73.4179.9-174.900112.1K157 A158 K164 R165K157-E161 WeakPolarHBondContact CE-OE1 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.49Å; K157-E161 PolarHBondContact O-N 3.43Å; A158-E161 PolarHBondContact O-N 3.13Å; E161-K164 PolarHBondContact O-N 2.99Å; E161-R165 PolarHBondContact O-N 3.49Å
162A79.5Confident71.8Confident64 Ų64120 Ų12053%0.52964%0.643SS.*Hα-helixtrans-63.1-41.1172.900000111.7A158 K164 R165 G166A158-A162 VanDerWaalsContact O-CB 3.31Å; A158-A162 WeakPolarHBondContact O-CB 3.35Å; A158-A162 PolarHBondContact O-N 3.45Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.37Å; A162-R165 PolarHBondContact O-N 2.96Å; A162-G166 PolarHBondContact O-N 3.38Å
163A77.1Confident69.4Low77 Ų77122 Ų12264%0.63665%0.654SS**Hα-helixtrans-64.8-34.2174.400000112.7K159 Q160K159-A163 WeakPolarHBondContact O-CB 3.42Å; K159-A163 PolarHBondContact O-N 2.84Å; Q160-A163 PolarHBondContact O-N 2.9Å
164K76.2Confident67.1Low157 Ų157122.4 Ų122.468%0.68367%0.666SS**Hα-helixtrans-75.4-32.8175.7-74.7179.1179.4-1780113.3Q160 E161 A162Q160-K164 WeakPolarHBondContact O-CG 3.26Å; Q160-K164 PolarHBondContact O-N 2.79Å; E161-K164 PolarHBondContact O-N 2.99Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.37Å
165R64.5Low64.9Low220 Ų220125.2 Ų125.283%0.8368%0.676SS**Hα-helixtrans-83.7-21.5177.9-72.2-175.9176.9-176.51113.3E161 A162 G167E161-R165 PolarHBondContact O-N 3.49Å; A162-R165 PolarHBondContact O-N 2.96Å; R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.86Å
166G54.3Low62.6Low57 Ų57123.6 Ų123.659%0.58869%0.686SS**  trans-83.525.4-179.400000116.1A162 T168A162-G166 PolarHBondContact O-N 3.38Å; G166-T168 PolarHBondContact O-N 2.9Å
167G46.2Very low60.2Low70 Ų70124.6 Ų124.672%0.72270%0.702SS**  trans-69.46.7-177.600000116.4R165R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 2.86Å
168T46.1Very low57.9Low124 Ų124128.2 Ų128.276%0.76172%0.718SS**SBendtrans-102.5105.1179.2-38.80000110.5G166 V170G166-T168 PolarHBondContact O-N 2.9Å; T168-V170 PolarHBondContact O-N 2.86Å
169R42.4Very low55.8Low236 Ų236128.7 Ų128.789%0.89173%0.728SS**  trans-39.1120.6165.7-73.5171.6163.4166.5-5.8111.8
170V50.3Low53.9Low135 Ų135127 Ų12782%0.81873%0.734SS**  trans-137115.4148.5-157.10000108.4T168T168-V170 PolarHBondContact O-N 2.86Å
171P40.5Very low51.7Low104 Ų104126.3 Ų126.368%0.67575%0.748SS**  trans-92131.8171.633-25.9000110
172H48.3Very low49.4Very low178 Ų178127 Ų12782%0.82477%0.768SS**  trans162108.9147.2-96.863.9000107.8
173S42.1Very low47.4Very low103 Ų103128.3 Ų128.372%0.7278%0.779SS**  67.5100.592.5-1780000112.8
174M44.4Very low45.4Very low185 Ų185134.9 Ų134.991%0.91179%0.794SS**  trans-160103.4134.3-100.4-78.1-108.600108.8
175F43.9Very low43.7Very low201 Ų201132.6 Ų132.688%0.88280%0.798SS**  trans-56.9134.1169.2-178.7-94.9000111.2
176G37.7Very low42.5Very low76 Ų76130.3 Ų130.378%0.78480%0.796SS**  trans171.2112.2168.400000113.2
177G39.9Very low41.5Very low80 Ų80133.9 Ų133.983%0.82581%0.809SS**  trans129.960.4162.200000115.9
178F43.1Very low40.9Very low205 Ų205136.8 Ų136.890%0.89981%0.813SS**  trans-54.1132.6165.6-135.7-103.8000110.8
179G42.4Very low40.3Very low63 Ų63134.7 Ų134.765%0.64981%0.808SS**  trans-77.3174.4178.100000113.7
180P47.3Very low40Very low127 Ų127129.9 Ų129.983%0.82581%0.805SS**  trans-119.5138.8153.630.8-16.1000111.8
181A35.9Very low39.3Very low100 Ų100129.2 Ų129.283%0.82680%0.801SS**  trans-67.6164.815700000110.7
182A35.8Very low39.1Very low104 Ų104131.5 Ų131.586%0.8680%0.803SS**  trans87129.4-174.400000113.1
183A37.6Very low38.5Very low92 Ų92131.6 Ų131.676%0.7680%0.803SS**  cis-145.3151.630.400000112.2S185A183-S185 PolarHBondContact O-N 2.74Å
184K35Very low38.1Very low216 Ų216134.9 Ų134.994%0.93981%0.807SS**  trans-58.4122.2161.2-66.6169.8175.4177.60108
185S41Very low37.7Very low109 Ų109136.5 Ų136.576%0.76280%0.803SS**  trans-134.7128.4160.159.30000108.3A183A183-S185 PolarHBondContact O-N 2.74Å
186E37.7Very low37.2Very low172 Ų172135.8 Ų135.880%0.80480%0.802SS**  trans-51161.7179.1-71.4167.8152.200113.4T188E186-T188 PolarHBondContact O-N 3.46Å
187P33.4Very low37.2Very low132 Ų132139.4 Ų139.486%0.85780%0.803SS**  trans-68.697.5179.929.2-32.1000109A189P187-A189 PolarHBondContact O-N 2.88Å
188T34.2Very low37Very low130 Ų130142.5 Ų142.580%0.79880%0.801SS**  trans-66.6117.7169.2-36.60000107.7E186 V190E186-T188 PolarHBondContact O-N 3.46Å; T188-V190 PolarHBondContact O-N 2.78Å
189A33.7Very low36.4Very low81 Ų81143.4 Ų143.467%0.66980%0.8SS**  trans-41.7135.2172.100000110.9P187 V191P187-A189 PolarHBondContact O-N 2.88Å; A189-V191 VanDerWaalsContact C-N 3.35Å; A189-V191 PolarHBondContact O-N 3.32Å
190V36.1Very low36.2Very low134 Ų134148.5 Ų148.581%0.81281%0.806SS**  trans-57.4102.9168.8-179.40000106.4T188 E192T188-V190 PolarHBondContact O-N 2.78Å; V190-E192 PolarHBondContact O-N 2.98Å
191V35Very low35.6Very low122 Ų122147.6 Ų147.674%0.73980%0.803SS**  trans-65.995.6163.3176.10000104.9A189 Q193A189-V191 VanDerWaalsContact C-N 3.35Å; A189-V191 PolarHBondContact O-N 3.32Å; V191-Q193 PolarHBondContact O-N 3.45Å
192E37.4Very low35.7Very low152 Ų152148.6 Ų148.671%0.7180%0.801SS**  trans-55.1105.4162.1-89178.9149.800106.6V190 H194V190-E192 PolarHBondContact O-N 2.98Å; E192-H194 PolarHBondContact O-N 3.32Å
193Q34.8Very low35.7Very low179 Ų179149.7 Ų149.784%0.83680%0.799SS**  trans-60.696.8160-81.4-178.4-30.700106.2V191 R195V191-Q193 PolarHBondContact O-N 3.45Å; Q193-R195 PolarHBondContact O-N 2.94Å
194H34.2Very low35.4Very low173 Ų173152.6 Ų152.680%0.80181%0.807SS**  trans-54.290.7159.7-82.4-93.8000107.3E192 E196E192-H194 PolarHBondContact O-N 3.32Å; H194-E196 PolarHBondContact O-N 3.07Å
195R35.3Very low35.2Very low219 Ų219145.8 Ų145.883%0.82680%0.798SS**  trans-71.8105.1155.4-98.4-178.8169.9168.6-2.7105.2Q193 L197Q193-R195 PolarHBondContact O-N 2.94Å; R195-L197 VanDerWaalsContact C-N 3.35Å; R195-L197 PolarHBondContact O-N 3.2Å
196E34.5Very low34.9Very low186 Ų186145.4 Ų145.487%0.86980%0.802SS**  trans-48.7105.1157.9-73.5177.7147.400107.3H194 D198H194-E196 PolarHBondContact O-N 3.07Å; E196-D198 PolarHBondContact O-N 2.84Å
197L37.2Very low34.5Very low152 Ų152145.2 Ų145.280%0.79681%0.806SS**  trans-8496.4167-76.7168.6000105.8R195 Y199R195-L197 VanDerWaalsContact C-N 3.35Å; R195-L197 PolarHBondContact O-N 3.2Å; L197-Y199 PolarHBondContact O-N 3.25Å; L197-Y199 VanDerWaalsContact O-N 3.07Å
198D35.1Very low34.6Very low145 Ų145148.5 Ų148.578%0.77581%0.807SS**  trans-50.1112.9165.1-94.3-35.8000108.8E196 H200E196-D198 PolarHBondContact O-N 2.84Å; D198-H200 PolarHBondContact O-N 3.13Å
199Y30.9Very low34.5Very low224 Ų224152.1 Ų152.188%0.87881%0.812SS**  trans-65.996.9169.6-95.9-97.1000108.1L197L197-Y199 PolarHBondContact O-N 3.25Å; L197-Y199 VanDerWaalsContact O-N 3.07Å
200H38.1Very low34.4Very low169 Ų169159.2 Ų159.278%0.78282%0.823SS**  trans-114106.2161.6-88.718.3000108.8D198D198-H200 PolarHBondContact O-N 3.13Å
201S34.9Very low34Very low109 Ų109157.7 Ų157.776%0.76282%0.818SS**PPolyproline II helixtrans-52.6126.8168.7-49.60000109.5
202P37.3Very low34.1Very low121 Ų121160.7 Ų160.779%0.78682%0.824SS**PPolyproline II helixtrans-69.7140.2177.8-10.424.8000110.1
203P35.5Very low33.8Very low126 Ų126160.3 Ų160.382%0.81883%0.827SS**PPolyproline II helixtrans-74.1147.6175.331.3-32.6000111.1
204V31.7Very low33.7Very low154 Ų154163.5 Ų163.593%0.93383%0.831SS**PPolyproline II helixtrans-58128.9178.4175.20000111.9
205G32.3Very low33.6Very low72 Ų72160 Ų16074%0.74282%0.824SS**  trans131.597.4151.500000116.1
206A34.6Very low33.3Very low102 Ų102156.9 Ų156.984%0.84382%0.823SS**  trans179.3118.6132.400000110.8K208A206-K208 PolarHBondContact O-N 3.24Å
207N29.2Very low33Very low168 Ų168155.1 Ų155.190%0.89882%0.819SS**  trans-46.8124.9173.2-75.9-45.8000113.8
208K35.7Very low32.6Very low201 Ų201154.3 Ų154.387%0.87482%0.815SS**  trans-141.8119.2144.1-97.2-179.9-175.7173.10110.3A206 Y210A206-K208 PolarHBondContact O-N 3.24Å; K208-Y210 PolarHBondContact O-N 3.11Å
209K30.6Very low32.3Very low206 Ų206154.2 Ų154.290%0.89682%0.815SS**  trans-51.3123.4175.9-69.8171.6170.6178.10111.4
210Y32.6Very low32.2Very low230 Ų230149.5 Ų149.590%0.90280%0.804SS**  trans-121.6119144.4-90.3-86.3000107.4K208K208-Y210 PolarHBondContact O-N 3.11Å
211S28.2Very low31.5Very low101 Ų101148.5 Ų148.571%0.70680%0.803SS**  trans-97.4118.1172.8147.30000105.2
212E35.4Very low31.3Very low186 Ų186149.5 Ų149.587%0.86980%0.799SS**  trans-159.1122.7154.4-113.2167.6-156.500109.9
213D31.4Very low30.6Very low143 Ų143150.9 Ų150.977%0.76580%0.799SS**  trans-66.2139.3-176.2-62.2-63.8000112.6
214W33Very low30.2Very low247 Ų247153.1 Ų153.194%0.93680%0.798SS**  trans-140.1127.6144.7-77103.6000110.1
215P31.5Very low29.9Very low99 Ų99153.9 Ų153.964%0.64379%0.792SS**  trans-84.4144.6-178.434.7-31.4000111.4
216L28.8Very low29.6Very low154 Ų154160 Ų16081%0.80680%0.798SS**  trans34.3100.9140.4-64.7160.3000117.1
217L28.8Very low29.2Very low149 Ų149161 Ų16178%0.7879%0.794SS**  trans-106.468.5155.8-145.2105.7000110
218N28.7Very low29.1Very low134 Ų134162.5 Ų162.572%0.71779%0.793SS**  trans-84.8137.5145.8-83-27.7000106.2
219D28.2Very low28.8Very low144 Ų144164.8 Ų164.877%0.7780%0.796SS**  trans74.496.1175.3-55.4-27.3000116.7
220L29.1Very low28.5Very low124 Ų124158.6 Ų158.665%0.64979%0.791SS**  trans-131.484.4148.2-134.791.3000110I222L220-I222 HydrophobicContact CD2-CD1 3.43Å; L220-I222 VanDerWaalsContact CD2-CD1 3.43Å; L220-I222 HydrophobicContact CD2-CG1 3.76Å; L220-I222 HydrophobicContact CG-CD1 4.26Å; L220-I222 HydrophobicContact CG-CG1 4.09Å
221L24.5Very low28.3Very low148 Ų148157.4 Ų157.478%0.77579%0.79SS**  trans-64.3119.7145.8-102.498.3000107.2L223L221-L223 HydrophobicContact CD2-CD1 4.38Å
222I29.5Very low28.1Very low130 Ų130163 Ų16367%0.66780%0.802SS**  trans-119.4105.1153.8-66.2-177.3000107.5L220L220-I222 HydrophobicContact CD2-CD1 3.43Å; L220-I222 VanDerWaalsContact CD2-CD1 3.43Å; L220-I222 HydrophobicContact CD2-CG1 3.76Å; L220-I222 HydrophobicContact CG-CD1 4.26Å; L220-I222 HydrophobicContact CG-CG1 4.09Å
223L23.1Very low27.6Very low150 Ų150163.6 Ų163.679%0.78580%0.802SS**  trans-80.5131159.2-73.6164000107.6L221L221-L223 HydrophobicContact CD2-CD1 4.38Å
224Q27.7Very low27.2Very low173 Ų173164.7 Ų164.781%0.80881%0.807SS**  trans-128114.1161.5-135.11773.500108.5
225E25.5Very low26.7Very low170 Ų170163.8 Ų163.879%0.79480%0.803SS**  trans-78.3139.7175.1-71.9-176.9150.400110.9
226F26.7Very low26.4Very low200 Ų200166.6 Ų166.688%0.87781%0.812SS**  trans-133.1116.4151.3-97.7-87.9000109.5
227T24.8Very low26.1Very low123 Ų123168 Ų16876%0.75581%0.812SS**  trans-87.6127.9178.6-29.20000110.6
228K27.6Very low26Very low201 Ų201167.3 Ų167.387%0.87481%0.813SS**  trans-169.4122.7140.2-105.7170.9-171.8179.70108.8
229R28.7Very low25.8Very low249 Ų249166.2 Ų166.294%0.9481%0.812SS**SBendtrans85.375.3173.5-56.9-179.9173.2174.6-2.1116.9
230G25.1Very low25.8Very low76 Ų76165.1 Ų165.178%0.78481%0.812SS**  trans34.9101.4140.400000119.3
231K29Very low25.8Very low205 Ų205168.6 Ų168.689%0.89182%0.822SS**  trans-155.1131.1146-102.4170.6-171.7-177.80109.3
232F24.1Very low25.9Very low219 Ų219171.7 Ų171.796%0.96183%0.829SS**PPolyproline II helixtrans-75.5140.2-179.1-127.3-101.6000110.5
233F23.8Very low26.3Very low198 Ų198176.6 Ų176.687%0.86884%0.84SS**PPolyproline II helixtrans-102.4142.1175.2-109.7-92000111.3
234L23.3Very low27.4Very low165 Ų165172.4 Ų172.486%0.86483%0.832SS**PPolyproline II helixtrans-96.2128.9163.6-138.891.7000109.3
235R23.3Very low28.7Very low228 Ų228175 Ų17586%0.8684%0.836SS**  trans-106.6112.1-175.6-162-178.9-165.4-179.35.7109.5
236L24.5Very low30.6Very low159 Ų159171.3 Ų171.383%0.83282%0.821SS**  trans-94.4112.2166.3-98.3152.6000109V238L236-V238 PolarHBondContact O-N 3.26Å
237K23.2Very low32.7Very low184 Ų184164.5 Ų164.580%0.879%0.794SS**  trans-69106.3170.5-78.5179.3174.41770108.8T239K237-T239 PolarHBondContact O-N 3.33Å
238V26.6Very low34.9Very low134 Ų134160.6 Ų160.681%0.81277%0.771SS**  trans-85.9102.9158.9-177.90000106.8L236L236-V238 PolarHBondContact O-N 3.26Å
239T23.9Very low36.8Very low111 Ų111151 Ų15168%0.68173%0.73SS**  trans-64.4127.9165.941.30000108.8K237 K241K237-T239 PolarHBondContact O-N 3.33Å; T239-K241 PolarHBondContact O-N 2.92Å
240P28.6Very low38.8Very low120 Ų120140 Ų14078%0.77969%0.689SS**  trans-67110.2175.427-30.3000108.2K242P240-K242 PolarHBondContact O-N 3.16Å; P240-K242 VanDerWaalsContact O-N 3.15Å
241K28.2Very low41.1Very low197 Ų197136.5 Ų136.586%0.85765%0.652SS**  trans-56.8119.5160.2-85.9-175.7175.2179.40106T239 R243T239-K241 PolarHBondContact O-N 2.92Å; K241-R243 PolarHBondContact O-N 3Å
242K26.3Very low43.3Very low213 Ų213129.2 Ų129.293%0.92662%0.621SS**  trans-45.899.5176.6-73.8-179.5175.3179.30109.6P240 G244P240-K242 PolarHBondContact O-N 3.16Å; P240-K242 VanDerWaalsContact O-N 3.15Å; K242-G244 PolarHBondContact O-N 3.45Å
243R38.5Very low45.8Very low234 Ų234118.9 Ų118.988%0.88358%0.575SS**  trans-68124.6166.7-87-179.3170.4169.8-2.4106.4K241K241-R243 PolarHBondContact O-N 3Å
244G47.1Very low48.4Very low61 Ų61111.9 Ų111.963%0.62955%0.545SS*.  trans-56.2155-178.900000112.1K242 I246K242-G244 PolarHBondContact O-N 3.45Å; G244-I246 PolarHBondContact O-N 2.67Å
245Y54.3Low51.3Low228 Ų228104.1 Ų104.189%0.89451%0.505SS*.  trans-53.4108.8179.1-121.9-95.9000110.5
246I65.1Low54.3Low92 Ų9297.7 Ų97.747%0.47248%0.483SS..  trans-84.7120.7175.3-59.7179.1000107.6G244 H250G244-I246 PolarHBondContact O-N 2.67Å; I246-H250 HydrophobicContact CG2-CB 3.78Å
247N71Confident57.3Low58 Ų5890.2 Ų90.231%0.3144%0.444SS..  trans-74.3161.6177.2-72.1-33.6000111V249 F462 S463N247-V249 CarbonylContact O-C 3.49Å; N247-V249 PolarHBondContact O-N 2.79Å; N247-F462 PolarHBondContact ND2-O 2.67Å; N247-F462 VanDerWaalsContact ND2-O 3.17Å; N247-S463 PolarHBondContact N-OG 2.65Å; N247-S463 VanDerWaalsContact N-OG 3.11Å
248S70.1Confident60.4Low40 Ų4082.5 Ų82.528%0.2841%0.411SS..SBendtrans-56.3-26.8179.1-54.80000113.8I280 S281S248-I280 CarbonylContact O-C 3.6Å; S248-I280 WeakPolarHBondContact O-CA 3.14Å; S248-S281 VanDerWaalsContact CA-OG 3.24Å; S248-S281 WeakPolarHBondContact CA-OG 3.45Å; S248-S281 PolarHBondContact O-N 3.06Å; S248-S281 PolarHBondContact O-OG 3.2Å; S248-S281 VanDerWaalsContact O-OG 3.05Å
249V67.6Low63.2Low1 Ų176.4 Ų76.41%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-107.5120.5167-174.90000108N247 L278 Y285 V288 A460 F462 S463N247-V249 CarbonylContact O-C 3.49Å; N247-V249 PolarHBondContact O-N 2.79Å; V249-L278 HydrophobicContact CG1-CD1 3.82Å; V249-Y285 HydrophobicContact CG2-CD1 4.49Å; V249-Y285 HydrophobicContact CG2-CD2 3.91Å; V249-Y285 HydrophobicContact CG2-CG 3.81Å; V249-V288 HydrophobicContact CG1-CG1 4.16Å; V249-V288 HydrophobicContact CG2-CG1 4.43Å; V249-V288 HydrophobicContact CG2-CG2 4.37Å; V249-A460 HydrophobicContact CG2-CB 4.29Å; V249-F462 HydrophobicContact CB-CB 3.9Å; V249-F462 HydrophobicContact CG1-CB 3.75Å; V249-F462 CarbonylContact O-C 3.57Å; V249-F462 WeakPolarHBondContact O-CA 3.45Å; V249-F462 WeakPolarHBondContact O-CB 3.35Å; V249-S463 PolarHBondContact O-N 2.94Å; V249-S463 PolarHBondContact O-OG 2.84Å
250H72.7Confident66.3Low18 Ų1875.1 Ų75.18%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-127.6125179-179.172.7000110I246 R279 S463 E465I246-H250 HydrophobicContact CG2-CB 3.78Å; H250-R279 HydrophobicContact CB-CB 4.33Å; H250-R279 PolarHBondContact N-O 2.8Å; H250-R279 PolarHBondContact O-N 2.98Å; H250-S463 CarbonylContact C-O 3.58Å; H250-S463 WeakPolarHBondContact CA-O 3.02Å; H250-S463 WeakPolarHBondContact CB-OG 2.88Å; H250-S463 PolarHBondContact ND1-O 2.78Å; H250-S463 PolarHBondContact ND1-OG 2.81Å; H250-E465 IonicContact CE1-OE2 2.76Å; H250-E465 IonicContact NE2-OE2 3.48Å
251V72.4Confident68.7Low2 Ų269.6 Ų69.61%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-108.4119.4177.3-177.70000107.1M253 I276 L278 V290 F462 S463 L464 E465V251-M253 HydrophobicContact CG1-CE 4.03Å; V251-M253 HydrophobicContact CG1-CG 4.31Å; V251-I276 HydrophobicContact CG1-CG2 4.03Å; V251-L278 HydrophobicContact CG2-CD1 3.89Å; V251-V290 HydrophobicContact CG2-CG1 4.09Å; V251-V290 HydrophobicContact CG2-CG2 4.28Å; V251-F462 HydrophobicContact CB-CD2 4.21Å; V251-F462 HydrophobicContact CB-CE2 4.48Å; V251-F462 HydrophobicContact CG2-CD2 3.8Å; V251-F462 HydrophobicContact CG2-CE2 4.27Å; V251-F462 HydrophobicContact CG2-CG 4.31Å; V251-S463 PolarHBondContact N-O 2.81Å; V251-L464 HydrophobicContact CB-CD1 3.99Å; V251-L464 HydrophobicContact CG1-CD1 3.92Å; V251-L464 CarbonylContact O-C 3.47Å; V251-L464 VanDerWaalsContact O-CA 3.32Å; V251-L464 WeakPolarHBondContact O-CA 3.37Å; V251-E465 PolarHBondContact O-N 2.96Å
252K74.4Confident70.8Confident52 Ų5265 Ų6523%0.22630%0.303CS..EExtended strand (participates in β ladder)trans-111.1123.1174-171.1-173.1-173.6-151.70108.5E254 I276 I277 E465K252-E254 HydrophobicContact CD-CG 4.13Å; K252-E254 WeakPolarHBondContact CE-OE1 3.37Å; K252-E254 WeakPolarHBondContact CE-OE2 3.37Å; K252-E254 HydrophobicContact CG-CG 4Å; K252-E254 IonicContact NZ-OE1 3.71Å; K252-E254 PolarHBondContact NZ-OE1 2.82Å; K252-E254 IonicContact NZ-OE2 2.73Å; K252-E254 PolarHBondContact NZ-OE2 2.87Å; K252-I276 WeakPolarHBondContact O-CA 3.44Å; K252-I277 HydrophobicContact CB-CB 4.28Å; K252-I277 HydrophobicContact CD-CD1 4.48Å; K252-I277 PolarHBondContact N-O 3.44Å; K252-I277 PolarHBondContact O-N 3.36Å; K252-E465 CarbonylContact C-O 3.5Å; K252-E465 WeakPolarHBondContact CA-O 3.42Å; K252-E465 HydrophobicContact CG-CB 4.25Å; K252-E465 HydrophobicContact CG-CG 4.41Å
253M76.7Confident72.9Confident1 Ų160.3 Ų60.31%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-110.3116.4174.5-58.4177.2177.200108.3V251 A275 I276 L292 L447 M451 A453 L464 E465 T466 K467V251-M253 HydrophobicContact CG1-CE 4.03Å; V251-M253 HydrophobicContact CG1-CG 4.31Å; M253-A275 WeakPolarHBondContact CA-O 3.42Å; M253-I276 HydrophobicContact CG-CG1 4.37Å; M253-I276 HydrophobicContact CG-CG2 4.39Å; M253-L292 HydrophobicContact CE-CD2 3.24Å; M253-L447 HydrophobicContact CB-CD1 3.77Å; M253-L447 HydrophobicContact CG-CD1 4.48Å; M253-L447 HydrophobicContact SD-CD1 3.91Å; M253-M451 HydrophobicContact SD-CB 4.41Å; M253-A453 HydrophobicContact CE-CB 3.78Å; M253-L464 HydrophobicContact CE-CD1 3.91Å; M253-L464 HydrophobicContact CG-CD1 4.23Å; M253-L464 HydrophobicContact SD-CD1 4.1Å; M253-E465 PolarHBondContact N-O 2.84Å; M253-T466 HydrophobicContact CB-CG2 4.22Å; M253-T466 CarbonylContact O-C 3.57Å; M253-T466 WeakPolarHBondContact O-CA 3.39Å; M253-T466 HydrophobicContact SD-CG2 4.26Å; M253-K467 PolarHBondContact O-N 2.64Å
254E78.7Confident74.1Confident51 Ų5155.5 Ų55.524%0.23827%0.271CS..EExtended strand (participates in β ladder)trans-117.8131.4178.4-62.8-167.1117.300109.8K252 G274 A275 K467K252-E254 HydrophobicContact CD-CG 4.13Å; K252-E254 WeakPolarHBondContact CE-OE1 3.37Å; K252-E254 WeakPolarHBondContact CE-OE2 3.37Å; K252-E254 HydrophobicContact CG-CG 4Å; K252-E254 IonicContact NZ-OE1 3.71Å; K252-E254 PolarHBondContact NZ-OE1 2.82Å; K252-E254 IonicContact NZ-OE2 2.73Å; K252-E254 PolarHBondContact NZ-OE2 2.87Å; E254-G274 CarbonylContact O-C 3.5Å; E254-G274 VanDerWaalsContact O-CA 3.31Å; E254-G274 WeakPolarHBondContact O-CA 3.39Å; E254-A275 PolarHBondContact N-O 3.13Å; E254-A275 PolarHBondContact O-N 3.34Å; E254-K467 CarbonylContact C-O 3.36Å; E254-K467 VanDerWaalsContact CA-O 3.3Å; E254-K467 WeakPolarHBondContact CA-O 3.39Å
255E84.8Confident74.7Confident3 Ų353.7 Ų53.71%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-118135.2171.1-74.4-178.5171.100110V272 L273 L447 F448 C449 K467 L468 S469E255-V272 HydrophobicContact CB-CG1 4.1Å; E255-V272 HydrophobicContact CG-CG1 4.21Å; E255-L273 CarbonylContact C-O 3.52Å; E255-L273 WeakPolarHBondContact CA-O 3.49Å; E255-L447 HydrophobicContact CB-CD2 4.26Å; E255-L447 HydrophobicContact CG-CD2 4.01Å; E255-L447 WeakPolarHBondContact OE2-CB 2.9Å; E255-F448 WeakPolarHBondContact OE2-CA 3.02Å; E255-F448 WeakPolarHBondContact OE2-CB 3.48Å; E255-F448 PolarHBondContact OE2-N 3.4Å; E255-C449 WeakPolarHBondContact OE1-CB 3.3Å; E255-C449 PolarHBondContact OE1-N 2.77Å; E255-C449 PolarHBondContact OE2-N 2.95Å; E255-K467 PolarHBondContact N-O 2.93Å; E255-L468 HydrophobicContact CB-CD1 3.67Å; E255-L468 CarbonylContact O-C 3.5Å; E255-L468 WeakPolarHBondContact O-CA 3.27Å; E255-S469 PolarHBondContact O-N 2.74Å
256K85.7Confident75Confident93 Ų9344.1 Ų44.140%0.40422%0.223SC..EExtended strand (participates in β ladder)trans-117.1122.6176.7-79.4-172.1164.2-146.80109.1V272 L273 S469 D471K256-V272 CarbonylContact O-C 3.59Å; K256-V272 WeakPolarHBondContact O-CA 3.48Å; K256-L273 HydrophobicContact CB-CB 4.39Å; K256-L273 PolarHBondContact N-O 2.94Å; K256-L273 PolarHBondContact O-N 2.82Å; K256-S469 VanDerWaalsContact CA-O 3.31Å; K256-S469 WeakPolarHBondContact CA-O 3.31Å; K256-D471 HydrophobicContact CB-CB 4.07Å; K256-D471 HydrophobicContact CD-CB 4.22Å; K256-D471 HydrophobicContact CG-CB 4.39Å; K256-D471 IonicContact NZ-OD1 3.16Å; K256-D471 PolarHBondContact NZ-OD1 3.34Å
257I87.9Confident75.1Confident1 Ų143.6 Ų43.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-100.3136.1179.3-171.5163.9000111.5V259 L270 V272 I342 F442 L468 S469 T470 D471 V472I257-V259 HydrophobicContact CD1-CG2 3.85Å; I257-V259 HydrophobicContact CG1-CG2 3.66Å; I257-L270 HydrophobicContact CD1-CD1 3.65Å; I257-L270 HydrophobicContact CG1-CD1 3.85Å; I257-V272 HydrophobicContact CB-CG2 4.4Å; I257-V272 HydrophobicContact CD1-CG2 4.12Å; I257-V272 HydrophobicContact CG1-CG2 4.02Å; I257-I342 HydrophobicContact CD1-CD1 3.12Å; I257-I342 HydrophobicContact CD1-CG1 4.44Å; I257-I342 HydrophobicContact CG1-CD1 4.48Å; I257-F442 HydrophobicContact CG2-CE2 4.42Å; I257-F442 HydrophobicContact CG2-CZ 4Å; I257-L468 HydrophobicContact CB-CD1 4.43Å; I257-S469 PolarHBondContact N-O 2.83Å; I257-T470 HydrophobicContact CG2-CG2 3.86Å; I257-D471 PolarHBondContact O-N 3.29Å; I257-V472 PolarHBondContact O-N 2.88Å
258N87.4Confident75.3Confident23 Ų2344.8 Ų44.812%0.12323%0.228CC..EExtended strand (participates in β ladder)trans-122.8109.6176.9-75.1-60.7000109.1L270 E271 V472N258-L270 CarbonylContact O-C 3.36Å; N258-L270 WeakPolarHBondContact O-CA 3.33Å; N258-E271 HydrophobicContact CB-CB 4.19Å; N258-E271 PolarHBondContact N-O 3.16Å; N258-E271 PolarHBondContact O-N 2.85Å; N258-V472 CarbonylContact C-O 3.46Å; N258-V472 WeakPolarHBondContact CA-O 3.23Å; N258-V472 WeakPolarHBondContact OD1-CB 3.45Å; N258-V472 PolarHBondContact OD1-N 3.38Å
259V86.9Confident75.7Confident6 Ų646.4 Ų46.44%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-121.1131-178.3-168.30000110.1I257 L267 K269 L270 V472 Y473 E474I257-V259 HydrophobicContact CD1-CG2 3.85Å; I257-V259 HydrophobicContact CG1-CG2 3.66Å; V259-L267 HydrophobicContact CG1-CD1 3.62Å; V259-K269 CarbonylContact C-O 3.52Å; V259-K269 WeakPolarHBondContact CA-O 3.35Å; V259-L270 HydrophobicContact CG2-CD1 3.78Å; V259-V472 PolarHBondContact N-O 3.26Å; V259-Y473 HydrophobicContact CB-CD1 3.9Å; V259-Y473 HydrophobicContact CB-CD2 3.93Å; V259-Y473 HydrophobicContact CB-CE1 4.2Å; V259-Y473 HydrophobicContact CB-CE2 4.25Å; V259-Y473 HydrophobicContact CB-CG 3.73Å; V259-Y473 HydrophobicContact CG1-CD1 4.09Å; V259-Y473 HydrophobicContact CG1-CD2 4.42Å; V259-Y473 HydrophobicContact CG1-CE1 3.88Å; V259-Y473 HydrophobicContact CG1-CE2 4.25Å; V259-Y473 HydrophobicContact CG1-CG 4.33Å; V259-Y473 HydrophobicContact CG2-CD2 3.72Å; V259-Y473 HydrophobicContact CG2-CE2 4.04Å; V259-Y473 HydrophobicContact CG2-CG 4.01Å; V259-Y473 WeakPolarHBondContact O-CA 3.41Å; V259-E474 PolarHBondContact O-N 2.94Å
260K87.2Confident76.2Confident83 Ų8346.9 Ų46.936%0.36123%0.232SC..EExtended strand (participates in β ladder)trans-120.7116.1160.8-64.6-169.6172.6-1680108.5D268 K269 E474K260-D268 HydrophobicContact CB-CB 4.28Å; K260-D268 WeakPolarHBondContact O-CA 3.43Å; K260-D268 WeakPolarHBondContact O-CB 3.49Å; K260-D268 PolarHBondContact O-N 2.86Å; K260-K269 HydrophobicContact CB-CB 4.05Å; K260-K269 HydrophobicContact CG-CB 4.44Å; K260-K269 PolarHBondContact N-O 3.37Å; K260-K269 PolarHBondContact O-N 3.05Å; K260-E474 WeakPolarHBondContact CA-O 3.32Å
261Q79.7Confident76.6Confident5 Ų548.8 Ų48.82%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-113.2145.5180-172.5-172.2-37.500109.1V345 Y473 E474 I475 L476Q261-V345 PolarHBondContact NE2-O 3.14Å; Q261-Y473 PolarHBondContact OE1-OH 3.49Å; Q261-E474 PolarHBondContact N-O 2.89Å; Q261-I475 HydrophobicContact CB-CG1 4.14Å; Q261-I475 CarbonylContact O-C 3.57Å; Q261-I475 VanDerWaalsContact O-CA 3.31Å; Q261-I475 WeakPolarHBondContact O-CA 2.91Å; Q261-L476 PolarHBondContact O-N 3.37Å
262K71.6Confident76.8Confident100 Ų10050.9 Ų50.944%0.43525%0.254SS..  trans-88.1158.1174.6-64.9175.9-176.5173.90110.2D264 G265 G266 D268K262-D264 WeakPolarHBondContact CB-OD1 3.32Å; K262-D264 PolarHBondContact O-N 2.96Å; K262-D264 VanDerWaalsContact O-N 3.13Å; K262-G265 PolarHBondContact O-N 3.18Å; K262-G266 WeakPolarHBondContact CB-O 3.21Å; K262-G266 PolarHBondContact N-O 3.12Å; K262-D268 WeakPolarHBondContact CE-OD1 3.43Å; K262-D268 HydrophobicContact CG-CB 4.27Å; K262-D268 IonicContact NZ-OD1 2.63Å; K262-D268 PolarHBondContact NZ-OD1 2.77Å
263R71.8Confident77Confident115 Ų11553.1 Ų53.143%0.43427%0.267SS..THydrogen-bonded Turntrans-55.2-27.8177.6-48.7-168.1179.5177.7-5.7115.2G265 F436 L476R263-G265 PolarHBondContact O-N 2.75Å; R263-F436 HydrophobicContact CB-CE1 4.32Å; R263-F436 HydrophobicContact CB-CZ 4.23Å; R263-F436 HydrophobicContact CG-CD1 4.16Å; R263-F436 HydrophobicContact CG-CE1 3.86Å; R263-F436 HydrophobicContact CG-CE2 4.31Å; R263-F436 HydrophobicContact CG-CZ 3.94Å; R263-L476 WeakPolarHBondContact CG-O 3.13Å; R263-L476 VanDerWaalsContact CZ-OXT 3.29Å; R263-L476 PolarHBondContact N-O 2.94Å; R263-L476 PolarHBondContact NE-O 3.04Å; R263-L476 PolarHBondContact NE-OXT 3.19Å; R263-L476 PolarHBondContact NH2-OXT 3.47Å
264D62.2Low76.7Confident132 Ų13255.5 Ų55.571%0.70629%0.293SS*.THydrogen-bonded Turntrans-80.32.5-179.966.2-17.2000113.5K262 G266K262-D264 WeakPolarHBondContact CB-OD1 3.32Å; K262-D264 PolarHBondContact O-N 2.96Å; K262-D264 VanDerWaalsContact O-N 3.13Å; D264-G266 VanDerWaalsContact C-N 3.27Å; D264-G266 WeakPolarHBondContact OD1-CA 3.21Å; D264-G266 PolarHBondContact OD1-N 3.49Å
265G59.9Low76.4Confident24 Ų2455.3 Ų55.325%0.24730%0.3CS..SBendtrans85.3-2.8-173.300000113.3K262 R263K262-G265 PolarHBondContact O-N 3.18Å; R263-G265 PolarHBondContact O-N 2.75Å
266G60.3Low75.7Confident26 Ų2658 Ų5827%0.26831%0.313SS..  trans-68.5135.8175.600000111.9K262 D264K262-G266 WeakPolarHBondContact CB-O 3.21Å; K262-G266 PolarHBondContact N-O 3.12Å; D264-G266 VanDerWaalsContact C-N 3.27Å; D264-G266 WeakPolarHBondContact OD1-CA 3.21Å; D264-G266 PolarHBondContact OD1-N 3.49Å
267L68.8Low75.1Confident81 Ų8157.3 Ų57.342%0.42431%0.313SS..EExtended strand (participates in β ladder)trans-86.4120.6176-176.566.8000110.1V259 L270V259-L267 HydrophobicContact CG1-CD1 3.62Å; L267-L270 HydrophobicContact CD1-CB 4.18Å; L267-L270 HydrophobicContact CD2-CB 3.69Å; L267-L270 HydrophobicContact CD2-CD2 4.14Å; L267-L270 HydrophobicContact CG-CB 4.25Å
268D74Confident74.3Confident84 Ų8460.9 Ų60.945%0.44933%0.332SS..EExtended strand (participates in β ladder)trans-88.2-43.9177.4-162.751.9000111.4K260 K262K260-D268 HydrophobicContact CB-CB 4.28Å; K260-D268 WeakPolarHBondContact O-CA 3.43Å; K260-D268 WeakPolarHBondContact O-CB 3.49Å; K260-D268 PolarHBondContact O-N 2.86Å; K262-D268 WeakPolarHBondContact CE-OD1 3.43Å; K262-D268 HydrophobicContact CG-CB 4.27Å; K262-D268 IonicContact NZ-OD1 2.63Å; K262-D268 PolarHBondContact NZ-OD1 2.77Å
269K80Confident73.2Confident74 Ų7467.5 Ų67.532%0.32236%0.356SS..EExtended strand (participates in β ladder)trans-146.1134.7179.7-170.9178.1177-175.50110.8V259 K260 E271V259-K269 CarbonylContact C-O 3.52Å; V259-K269 WeakPolarHBondContact CA-O 3.35Å; K260-K269 HydrophobicContact CB-CB 4.05Å; K260-K269 HydrophobicContact CG-CB 4.44Å; K260-K269 PolarHBondContact N-O 3.37Å; K260-K269 PolarHBondContact O-N 3.05Å; K269-E271 WeakPolarHBondContact CE-OE1 3.38Å; K269-E271 WeakPolarHBondContact CE-OE2 3.41Å; K269-E271 IonicContact NZ-OE1 2.79Å; K269-E271 PolarHBondContact NZ-OE1 2.8Å; K269-E271 VanDerWaalsContact NZ-OE1 3.08Å; K269-E271 IonicContact NZ-OE2 3.47Å; K269-E271 PolarHBondContact NZ-OE2 3Å
270L78Confident72.4Confident10 Ų1070.2 Ų70.25%0.05237%0.369CS..EExtended strand (participates in β ladder)trans-136.9120.9167.1172.469.2000109.3I257 N258 V259 L267 F340 I342I257-L270 HydrophobicContact CD1-CD1 3.65Å; I257-L270 HydrophobicContact CG1-CD1 3.85Å; N258-L270 CarbonylContact O-C 3.36Å; N258-L270 WeakPolarHBondContact O-CA 3.33Å; V259-L270 HydrophobicContact CG2-CD1 3.78Å; L267-L270 HydrophobicContact CD1-CB 4.18Å; L267-L270 HydrophobicContact CD2-CB 3.69Å; L267-L270 HydrophobicContact CD2-CD2 4.14Å; L267-L270 HydrophobicContact CG-CB 4.25Å; L270-F340 HydrophobicContact CD2-CB 4.32Å; L270-F340 WeakPolarHBondContact CD2-O 3.21Å; L270-I342 HydrophobicContact CD1-CD1 3.67Å; L270-I342 HydrophobicContact CD2-CD1 4.06Å; L270-I342 HydrophobicContact CG-CD1 4.49Å
271E79.9Confident71.5Confident59 Ų5970.6 Ų70.628%0.27638%0.382SS..EExtended strand (participates in β ladder)trans-132.1133.7173.9-73.7175.8177.600109.2N258 K269N258-E271 HydrophobicContact CB-CB 4.19Å; N258-E271 PolarHBondContact N-O 3.16Å; N258-E271 PolarHBondContact O-N 2.85Å; K269-E271 WeakPolarHBondContact CE-OE1 3.38Å; K269-E271 WeakPolarHBondContact CE-OE2 3.41Å; K269-E271 IonicContact NZ-OE1 2.79Å; K269-E271 PolarHBondContact NZ-OE1 2.8Å; K269-E271 VanDerWaalsContact NZ-OE1 3.08Å; K269-E271 IonicContact NZ-OE2 3.47Å; K269-E271 PolarHBondContact NZ-OE2 3Å
272V76.9Confident70.7Confident46 Ų4672.7 Ų72.728%0.27939%0.393SS..EExtended strand (participates in β ladder)trans-117114.3172-179.90000107.5E255 K256 I257 F448E255-V272 HydrophobicContact CB-CG1 4.1Å; E255-V272 HydrophobicContact CG-CG1 4.21Å; K256-V272 CarbonylContact O-C 3.59Å; K256-V272 WeakPolarHBondContact O-CA 3.48Å; I257-V272 HydrophobicContact CB-CG2 4.4Å; I257-V272 HydrophobicContact CD1-CG2 4.12Å; I257-V272 HydrophobicContact CG1-CG2 4.02Å; V272-F448 HydrophobicContact CB-CD1 4.32Å; V272-F448 HydrophobicContact CG1-CB 4.23Å; V272-F448 HydrophobicContact CG1-CD1 4.32Å; V272-F448 HydrophobicContact CG2-CD1 3.64Å; V272-F448 HydrophobicContact CG2-CE1 4.12Å; V272-F448 HydrophobicContact CG2-CG 4.16Å
273L78.5Confident70.5Confident98 Ų9876.1 Ų76.151%0.51341%0.411SS..EExtended strand (participates in β ladder)trans-98.7108.9178.4-61.9176.4000108.5E255 K256E255-L273 CarbonylContact C-O 3.52Å; E255-L273 WeakPolarHBondContact CA-O 3.49Å; K256-L273 HydrophobicContact CB-CB 4.39Å; K256-L273 PolarHBondContact N-O 2.94Å; K256-L273 PolarHBondContact O-N 2.82Å
274G71.4Confident70.4Confident52 Ų5276.9 Ų76.954%0.53642%0.418SS..EExtended strand (participates in β ladder)trans-96.7138.1175.700000111.9E254E254-G274 CarbonylContact O-C 3.5Å; E254-G274 VanDerWaalsContact O-CA 3.31Å; E254-G274 WeakPolarHBondContact O-CA 3.39Å
275A71.1Confident70.5Confident47 Ų4773.3 Ų73.339%0.38840%0.395SS..EExtended strand (participates in β ladder)trans-124.9132.8170.100000109.6M253 E254M253-A275 WeakPolarHBondContact CA-O 3.42Å; E254-A275 PolarHBondContact N-O 3.13Å; E254-A275 PolarHBondContact O-N 3.34Å
276I70.8Confident70.5Confident58 Ų5875.8 Ų75.830%0.29741%0.407SS..EExtended strand (participates in β ladder)trans-111.8112.5172.7-53-176.5000107.4V251 K252 M253 L292 L319 M451V251-I276 HydrophobicContact CG1-CG2 4.03Å; K252-I276 WeakPolarHBondContact O-CA 3.44Å; M253-I276 HydrophobicContact CG-CG1 4.37Å; M253-I276 HydrophobicContact CG-CG2 4.39Å; I276-L292 HydrophobicContact CD1-CD1 3.28Å; I276-L292 HydrophobicContact CG2-CD1 4.45Å; I276-L319 HydrophobicContact CG2-CD1 4.32Å; I276-M451 HydrophobicContact CD1-CE 4.25Å; I276-M451 HydrophobicContact CD1-SD 3.99Å; I276-M451 HydrophobicContact CG1-CE 4.48Å
277I72.3Confident70.5Confident79 Ų7981.1 Ų81.141%0.40543%0.425SS..EExtended strand (participates in β ladder)trans-108.2114.1-176.3-55.5167.9000107.7K252K252-I277 HydrophobicContact CB-CB 4.28Å; K252-I277 HydrophobicContact CD-CD1 4.48Å; K252-I277 PolarHBondContact N-O 3.44Å; K252-I277 PolarHBondContact O-N 3.36Å
278L71.4Confident70.3Confident76 Ų7678.1 Ų78.140%0.39841%0.41SS..EExtended strand (participates in β ladder)trans-95.7120.8173.217964.3000109.2V249 V251 I280 V288 V290V249-L278 HydrophobicContact CG1-CD1 3.82Å; V251-L278 HydrophobicContact CG2-CD1 3.89Å; L278-I280 HydrophobicContact CD2-CD1 4.14Å; L278-I280 HydrophobicContact CD2-CG1 4.49Å; L278-I280 HydrophobicContact CG-CD1 4.4Å; L278-I280 HydrophobicContact CG-CG1 4.24Å; L278-V288 HydrophobicContact CD2-CG1 4.4Å; L278-V290 HydrophobicContact CD1-CG2 4.03Å; L278-V290 HydrophobicContact CD2-CG2 4.5Å
279R64.8Low69.7Low163 Ų16378.8 Ų78.862%0.61541%0.412SS*.EExtended strand (participates in β ladder)trans-110.9122.6172.1178.1178.5-72.7-174.6-4.5109.4H250H250-R279 HydrophobicContact CB-CB 4.33Å; H250-R279 PolarHBondContact N-O 2.8Å; H250-R279 PolarHBondContact O-N 2.98Å
280I69.6Low68.9Low62 Ų6275.4 Ų75.432%0.31840%0.397SS..EExtended strand (participates in β ladder)trans-112.9125.5172.5-61.5162.6000106.8S248 L278 D282 V288S248-I280 CarbonylContact O-C 3.6Å; S248-I280 WeakPolarHBondContact O-CA 3.14Å; L278-I280 HydrophobicContact CD2-CD1 4.14Å; L278-I280 HydrophobicContact CD2-CG1 4.49Å; L278-I280 HydrophobicContact CG-CD1 4.4Å; L278-I280 HydrophobicContact CG-CG1 4.24Å; I280-D282 VanDerWaalsContact CG2-O 3.28Å; I280-D282 WeakPolarHBondContact CG2-O 3.5Å; I280-V288 HydrophobicContact CD1-CG1 4Å; I280-V288 HydrophobicContact CG1-CG1 4.4Å
281S67.9Low68.3Low91 Ų9178.8 Ų78.864%0.63641%0.411SS*.  trans-113-3.8-178.449.40000113.5S248S248-S281 VanDerWaalsContact CA-OG 3.24Å; S248-S281 WeakPolarHBondContact CA-OG 3.45Å; S248-S281 PolarHBondContact O-N 3.06Å; S248-S281 PolarHBondContact O-OG 3.2Å; S248-S281 VanDerWaalsContact O-OG 3.05Å
282D63.5Low67.5Low49 Ų4976 Ų7626%0.26240%0.398SS..SBendtrans-128.7124.6178.3-172.6-28.4000109I280 K284 Y285I280-D282 VanDerWaalsContact CG2-O 3.28Å; I280-D282 WeakPolarHBondContact CG2-O 3.5Å; D282-K284 HydrophobicContact CB-CG 4.42Å; D282-K284 PolarHBondContact O-N 2.94Å; D282-K284 VanDerWaalsContact O-N 3.13Å; D282-K284 WeakPolarHBondContact OD1-CD 3.03Å; D282-K284 VanDerWaalsContact OD1-CG 3.24Å; D282-K284 WeakPolarHBondContact OD1-CG 3.3Å; D282-K284 PolarHBondContact OD1-N 3.25Å; D282-K284 VanDerWaalsContact OD1-N 3.12Å; D282-K284 VanDerWaalsContact OD2-CD 3.25Å; D282-K284 WeakPolarHBondContact OD2-CD 3.28Å; D282-K284 WeakPolarHBondContact OD2-CE 3.45Å; D282-K284 IonicContact OD2-NZ 3.17Å; D282-K284 PolarHBondContact OD2-NZ 2.68Å; D282-Y285 HydrophobicContact CB-CD2 3.95Å; D282-Y285 HydrophobicContact CB-CE2 4.38Å; D282-Y285 PolarHBondContact O-N 2.94Å
283E68.3Low66.7Low172 Ų17274.6 Ų74.680%0.80439%0.394SS*.G310 helixtrans-58.3-27-174.6-168.2177.9-178.600112.6Y285 C286E283-Y285 PolarHBondContact O-N 3.17Å; E283-Y285 VanDerWaalsContact O-N 3.07Å; E283-C286 VanDerWaalsContact CA-SG 3.6Å; E283-C286 WeakPolarHBondContact O-CB 3.37Å; E283-C286 PolarHBondContact O-N 3.32Å; E283-C286 VanDerWaalsContact O-N 3.09Å; E283-C286 PolarHBondContact O-SG 2.76Å
284K69.6Low65.5Low132 Ų13275.4 Ų75.457%0.57441%0.407SS*.G310 helixtrans-62.6-18.1176.379.9-162.3-179.7-151.80113.7D282D282-K284 HydrophobicContact CB-CG 4.42Å; D282-K284 PolarHBondContact O-N 2.94Å; D282-K284 VanDerWaalsContact O-N 3.13Å; D282-K284 WeakPolarHBondContact OD1-CD 3.03Å; D282-K284 VanDerWaalsContact OD1-CG 3.24Å; D282-K284 WeakPolarHBondContact OD1-CG 3.3Å; D282-K284 PolarHBondContact OD1-N 3.25Å; D282-K284 VanDerWaalsContact OD1-N 3.12Å; D282-K284 VanDerWaalsContact OD2-CD 3.25Å; D282-K284 WeakPolarHBondContact OD2-CD 3.28Å; D282-K284 WeakPolarHBondContact OD2-CE 3.45Å; D282-K284 IonicContact OD2-NZ 3.17Å; D282-K284 PolarHBondContact OD2-NZ 2.68Å
285Y64.7Low64.7Low57 Ų5773.8 Ų73.822%0.22439%0.387CS..G310 helixtrans-105.812.7179.5-58.2-54.8000113.4V249 D282 E283 Q287 V288 A460V249-Y285 HydrophobicContact CG2-CD1 4.49Å; V249-Y285 HydrophobicContact CG2-CD2 3.91Å; V249-Y285 HydrophobicContact CG2-CG 3.81Å; D282-Y285 HydrophobicContact CB-CD2 3.95Å; D282-Y285 HydrophobicContact CB-CE2 4.38Å; D282-Y285 PolarHBondContact O-N 2.94Å; E283-Y285 PolarHBondContact O-N 3.17Å; E283-Y285 VanDerWaalsContact O-N 3.07Å; Y285-Q287 PolarHBondContact O-N 2.81Å; Y285-V288 WeakPolarHBondContact O-CB 3.34Å; Y285-V288 PolarHBondContact O-N 3.38Å; Y285-V288 VanDerWaalsContact O-N 3.13Å; Y285-A460 HydrophobicContact CD1-CB 3.49Å; Y285-A460 VanDerWaalsContact CD1-CB 3.49Å; Y285-A460 HydrophobicContact CE1-CB 3.28Å; Y285-A460 HydrophobicContact CG-CB 4.27Å
286C58.8Low63.9Low76 Ų7677 Ų7751%0.51440%0.397SS..THydrogen-bonded Turntrans-57.8-14.9176.2-75.10000114.4E283E283-C286 VanDerWaalsContact CA-SG 3.6Å; E283-C286 WeakPolarHBondContact O-CB 3.37Å; E283-C286 PolarHBondContact O-N 3.32Å; E283-C286 VanDerWaalsContact O-N 3.09Å; E283-C286 PolarHBondContact O-SG 2.76Å
287Q60.2Low62.9Low138 Ų13877.4 Ų77.465%0.64540%0.402SS*.THydrogen-bonded Turntrans-116.834.1178.2-61.9-176.6-6.800113.3Y285Y285-Q287 PolarHBondContact O-N 2.81Å
288V65Low61.7Low17 Ų1781.9 Ų81.910%0.10342%0.419CS..  trans-78141.3-179.381.10000112.3V249 L278 I280 Y285 V290 L458 A460V249-V288 HydrophobicContact CG1-CG1 4.16Å; V249-V288 HydrophobicContact CG2-CG1 4.43Å; V249-V288 HydrophobicContact CG2-CG2 4.37Å; L278-V288 HydrophobicContact CD2-CG1 4.4Å; I280-V288 HydrophobicContact CD1-CG1 4Å; I280-V288 HydrophobicContact CG1-CG1 4.4Å; Y285-V288 WeakPolarHBondContact O-CB 3.34Å; Y285-V288 PolarHBondContact O-N 3.38Å; Y285-V288 VanDerWaalsContact O-N 3.13Å; V288-V290 HydrophobicContact CG1-CG2 4.38Å; V288-L458 HydrophobicContact CG2-CD2 3.42Å; V288-L458 VanDerWaalsContact CG2-CD2 3.42Å; V288-A460 HydrophobicContact CG2-CB 4.23Å
289M60.4Low60.5Low99 Ų9980.3 Ų80.349%0.48842%0.421SS..  trans-108.5101.2178.2-71-169.3-63.400111.9K291 L458M289-K291 PolarHBondContact O-N 2.99Å; M289-L458 VanDerWaalsContact C-CD2 3.42Å; M289-L458 WeakPolarHBondContact O-CD2 3.31Å; M289-L458 WeakPolarHBondContact O-CG 3.15Å
290V63.4Low59.9Low2 Ų275 Ų751%0.01241%0.407CS..EExtended strand (participates in β ladder)trans-87.1115.3-179.7-176.90000110.6V251 L278 V288 L292 L319 L458V251-V290 HydrophobicContact CG2-CG1 4.09Å; V251-V290 HydrophobicContact CG2-CG2 4.28Å; L278-V290 HydrophobicContact CD1-CG2 4.03Å; L278-V290 HydrophobicContact CD2-CG2 4.5Å; V288-V290 HydrophobicContact CG1-CG2 4.38Å; V290-L292 HydrophobicContact CG1-CD2 4.27Å; V290-L319 WeakPolarHBondContact O-CB 3.38Å; V290-L319 PolarHBondContact O-N 2.99Å; V290-L458 HydrophobicContact CG2-CD2 4.34Å
291K66.6Low58.8Low81 Ų8176.8 Ų76.835%0.35241%0.414SS..EExtended strand (participates in β ladder)trans-86.3116.6172.4-173.6165.7-175.2163.30110.4M289 D316 I318 S454M289-K291 PolarHBondContact O-N 2.99Å; K291-D316 WeakPolarHBondContact CE-O 3.4Å; K291-I318 HydrophobicContact CD-CG1 4.28Å; K291-I318 HydrophobicContact CG-CG1 4.19Å; K291-S454 PolarHBondContact O-N 3.02Å
292L62.4Low57.9Low1 Ų175 Ų751%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-87.3133.6166.6-60178.2000107.7M253 I276 V290 F313 G317 L319 A453M253-L292 HydrophobicContact CE-CD2 3.24Å; I276-L292 HydrophobicContact CD1-CD1 3.28Å; I276-L292 HydrophobicContact CG2-CD1 4.45Å; V290-L292 HydrophobicContact CG1-CD2 4.27Å; L292-F313 HydrophobicContact CD1-CE2 3.97Å; L292-G317 WeakPolarHBondContact CA-O 3.44Å; L292-G317 WeakPolarHBondContact CB-O 3.41Å; L292-G317 PolarHBondContact N-O 3.24Å; L292-G317 VanDerWaalsContact O-O 3.11Å; L292-L319 HydrophobicContact CD1-CD1 3.4Å; L292-L319 VanDerWaalsContact CD1-CD1 3.4Å; L292-L319 HydrophobicContact CD1-CG 4.04Å; L292-L319 HydrophobicContact CG-CD1 3.98Å; L292-A453 HydrophobicContact CD2-CB 3.94Å
293G60.1Low56.9Low17 Ų1777.1 Ų77.118%0.17541%0.405CS..PPolyproline II helixtrans-58.9161.8176.100000110.4V295 K452G293-V295 PolarHBondContact O-N 3.48Å; G293-K452 VanDerWaalsContact CA-O 3.23Å; G293-K452 WeakPolarHBondContact CA-O 3.41Å; G293-K452 PolarHBondContact N-O 2.89Å
294S53.6Low55.5Low114 Ų11470 Ų7080%0.79737%0.373SS*.  trans-45.5106.2-178.253.90000111
295V55.3Low54Low19 Ų1965 Ų6512%0.11535%0.352CS..  trans-73.3122.9167-177.50000104.9G293 V297 I302 M451G293-V295 PolarHBondContact O-N 3.48Å; V295-V297 HydrophobicContact CB-CG2 4.28Å; V295-V297 HydrophobicContact CG1-CG2 4.46Å; V295-V297 WeakPolarHBondContact O-CG2 3.38Å; V295-V297 PolarHBondContact O-N 2.98Å; V295-I302 HydrophobicContact CG1-CD1 4.07Å; V295-M451 HydrophobicContact CG2-CG 4.33Å
296D52.5Low52.5Low113 Ų11366 Ų6660%0.60437%0.365SS*.  trans-7093165.8-167-5.2000106.6K298D296-K298 PolarHBondContact O-N 3.4Å; D296-K298 VanDerWaalsContact O-N 3.09Å
297V50.7Low51.5Low67 Ų6764.6 Ų64.641%0.40635%0.353SS..  trans-72.92.4-169.6-154.50000111.9V295 G299 V300 I302V295-V297 HydrophobicContact CB-CG2 4.28Å; V295-V297 HydrophobicContact CG1-CG2 4.46Å; V295-V297 WeakPolarHBondContact O-CG2 3.38Å; V295-V297 PolarHBondContact O-N 2.98Å; V297-G299 PolarHBondContact O-N 3.04Å; V297-V300 PolarHBondContact O-N 2.78Å; V297-I302 HydrophobicContact CG1-CD1 3.95Å
298K46.3Very low50.6Low174 Ų17459.1 Ų59.176%0.75733%0.328SS*.THydrogen-bonded Turntrans-68.6104.5177.1-72.7-174.6178.8179.70110.2D296D296-K298 PolarHBondContact O-N 3.4Å; D296-K298 VanDerWaalsContact O-N 3.09Å
299G47.7Very low49.9Very low43 Ų4360.3 Ų60.344%0.44333%0.333SS..THydrogen-bonded Turntrans872.6176.600000115.1V297 S338V297-G299 PolarHBondContact O-N 3.04Å; G299-S338 PolarHBondContact O-OG 3.08Å
300V50.8Low49.7Very low52 Ų5260.3 Ų60.332%0.31533%0.331SS..  trans-96.3113.4172.5-174.10000108.4V297 I302V297-V300 PolarHBondContact O-N 2.78Å; V300-I302 HydrophobicContact CB-CG1 4.39Å; V300-I302 HydrophobicContact CG1-CD1 4.23Å; V300-I302 HydrophobicContact CG1-CG1 3.67Å; V300-I302 PolarHBondContact O-N 2.82Å
301Q46.9Very low49.6Very low98 Ų9867.5 Ų67.546%0.45836%0.362SS..  trans-81.1119.2167.7-68.2-156.1-30.900109.8A334 G335Q301-A334 PolarHBondContact OE1-O 2.87Å; Q301-G335 PolarHBondContact OE1-O 2.9Å
302I49.7Very low49.2Very low54 Ų5464.1 Ų64.128%0.27735%0.349SS..  trans-111115.4-178.4-48.9171.9000109.7V295 V297 V300 T304 F313V295-I302 HydrophobicContact CG1-CD1 4.07Å; V297-I302 HydrophobicContact CG1-CD1 3.95Å; V300-I302 HydrophobicContact CB-CG1 4.39Å; V300-I302 HydrophobicContact CG1-CD1 4.23Å; V300-I302 HydrophobicContact CG1-CG1 3.67Å; V300-I302 PolarHBondContact O-N 2.82Å; I302-T304 HydrophobicContact CG2-CG2 4.16Å; I302-F313 HydrophobicContact CB-CE1 3.9Å; I302-F313 HydrophobicContact CD1-CE1 3.54Å; I302-F313 HydrophobicContact CD1-CZ 4.05Å; I302-F313 HydrophobicContact CG1-CE1 4.22Å; I302-F313 HydrophobicContact CG2-CD1 4.03Å; I302-F313 HydrophobicContact CG2-CE1 3.16Å; I302-F313 HydrophobicContact CG2-CZ 3.77Å
303Q42.4Very low48.8Very low94 Ų9464.7 Ų64.744%0.43935%0.351SS..  trans-92.9104.4167.6-78141.8-9.900109D333 A334Q303-D333 WeakPolarHBondContact CB-OD1 3.47Å; Q303-D333 VanDerWaalsContact CD-CB 3.45Å; Q303-D333 VanDerWaalsContact CG-OD1 3.27Å; Q303-D333 WeakPolarHBondContact CG-OD1 3.32Å; Q303-D333 VanDerWaalsContact OE1-CB 3.23Å; Q303-D333 PolarHBondContact OE1-OD1 2.78Å; Q303-D333 PolarHBondContact OE1-OD2 2.77Å; Q303-A334 PolarHBondContact NE2-O 2.77Å
304T38.2Very low48.6Very low21 Ų2169.1 Ų69.113%0.12937%0.368CS..  trans-89.1141.8169.357.80000109.3I302 K310 F313I302-T304 HydrophobicContact CG2-CG2 4.16Å; T304-K310 WeakPolarHBondContact OG1-CG 3.39Å; T304-F313 HydrophobicContact CG2-CB 4.03Å; T304-F313 HydrophobicContact CG2-CD1 3.25Å; T304-F313 HydrophobicContact CG2-CE1 3.87Å; T304-F313 HydrophobicContact CG2-CG 3.66Å
305H38.8Very low49Very low29 Ų2969.6 Ų69.613%0.13436%0.361CS..  trans-48.5142.4171.6-172.7-86.8000112.5N307 L308 F328 P329H305-N307 WeakPolarHBondContact ND1-CB 3.31Å; H305-N307 PolarHBondContact ND1-N 3.13Å; H305-N307 VanDerWaalsContact ND1-N 3.13Å; H305-N307 PolarHBondContact O-N 3.04Å; H305-L308 HydrophobicContact CB-CD1 3.83Å; H305-L308 HydrophobicContact CB-CG 4.09Å; H305-L308 WeakPolarHBondContact O-CB 3.49Å; H305-L308 PolarHBondContact O-N 2.86Å; H305-F328 HydrophobicContact CB-CD1 3.93Å; H305-F328 HydrophobicContact CB-CE1 3.82Å; H305-F328 AromaticContact CD2-CD1 3.48Å; H305-F328 VanDerWaalsContact CD2-CD1 3.48Å; H305-F328 WeakPolarHBondContact CD2-CD1 3.42Å; H305-F328 AromaticContact CE1-CD1 3.21Å; H305-F328 WeakPolarHBondContact CE1-CD1 3.04Å; H305-F328 AromaticContact CE1-CG 3.7Å; H305-F328 AromaticContact CG-CD1 3.22Å; H305-F328 AromaticContact CG-CE1 3.6Å; H305-F328 AromaticContact ND1-CD1 3.03Å; H305-F328 WeakPolarHBondContact ND1-CD1 3.49Å; H305-F328 AromaticContact ND1-CE1 3.46Å; H305-F328 WeakPolarHBondContact ND1-CE1 3.27Å; H305-F328 AromaticContact ND1-CG 3.93Å; H305-F328 AromaticContact NE2-CD1 3.43Å; H305-F328 WeakPolarHBondContact NE2-CD1 3.31Å; H305-F328 AromaticContact NE2-CG 3.93Å; H305-P329 PolarHBondContact CE1-O 3.17Å; H305-P329 PolarHBondContact NE2-O 3.26Å
306P33.1Very low49.3Very low76 Ų7673.1 Ų73.149%0.49438%0.379SS..THydrogen-bonded Turntrans-52-34.2-176.4-28.733.9000115.2K322P306-K322 PolarHBondContact O-NZ 3.44Å
307N37.5Very low49.5Very low48 Ų4868.1 Ų68.126%0.25735%0.354SS..THydrogen-bonded Turntrans-80.7-10.6178.9-62.8-12.5000114.3H305 L321 K322 P327H305-N307 WeakPolarHBondContact ND1-CB 3.31Å; H305-N307 PolarHBondContact ND1-N 3.13Å; H305-N307 VanDerWaalsContact ND1-N 3.13Å; H305-N307 PolarHBondContact O-N 3.04Å; N307-L321 HydrophobicContact CB-CD2 3.72Å; N307-L321 CarbonylContact O-C 3.51Å; N307-L321 VanDerWaalsContact O-CA 3.29Å; N307-L321 WeakPolarHBondContact O-CA 3.37Å; N307-L321 WeakPolarHBondContact O-CD2 3.31Å; N307-K322 PolarHBondContact O-N 3.06Å; N307-P327 PolarHBondContact ND2-O 2.81Å
308L41.2Very low49.8Very low23 Ų2366.8 Ų66.812%0.1234%0.344CS..BIsolated β-bridgetrans-80.7142.6172.5-69.5167.7000110.3H305 K310 L319 M320 K322 F328H305-L308 HydrophobicContact CB-CD1 3.83Å; H305-L308 HydrophobicContact CB-CG 4.09Å; H305-L308 WeakPolarHBondContact O-CB 3.49Å; H305-L308 PolarHBondContact O-N 2.86Å; L308-K310 PolarHBondContact O-N 3.13Å; L308-L319 HydrophobicContact CD1-CD2 3.63Å; L308-L319 HydrophobicContact CD2-CD2 4.31Å; L308-M320 CarbonylContact C-O 3.6Å; L308-M320 WeakPolarHBondContact CA-O 3.04Å; L308-M320 WeakPolarHBondContact CD2-O 3.45Å; L308-K322 WeakPolarHBondContact O-CE 3.15Å; L308-F328 HydrophobicContact CD1-CE1 4.35Å; L308-F328 HydrophobicContact CD2-CE1 4.15Å; L308-F328 HydrophobicContact CD2-CZ 3.91Å; L308-F328 HydrophobicContact CG-CE1 3.88Å; L308-F328 HydrophobicContact CG-CZ 4.17Å
309D50.8Low50.2Low42 Ų4259.9 Ų59.923%0.22532%0.316CS..  trans-68.397.5173.1-169.5-23.6000109.4K311 A312 F313 M320 K322D309-K311 PolarHBondContact O-N 2.93Å; D309-K311 WeakPolarHBondContact OD1-CB 3.23Å; D309-K311 PolarHBondContact OD1-N 2.66Å; D309-A312 HydrophobicContact CB-CB 3.85Å; D309-A312 PolarHBondContact O-N 3.42Å; D309-A312 PolarHBondContact OD1-N 2.74Å; D309-A312 VanDerWaalsContact OD1-N 3.15Å; D309-F313 PolarHBondContact O-N 2.85Å; D309-M320 HydrophobicContact CB-CG 3.61Å; D309-M320 HydrophobicContact CB-SD 4.28Å; D309-M320 PolarHBondContact N-O 3.04Å; D309-K322 HydrophobicContact CB-CG 4.07Å
310K55Low50.2Low98 Ų9860.7 Ų60.743%0.42631%0.308SS..Hα-helixtrans-53.9-35.9177.5-58.9-161.6170.1-176.50111.7T304 L308 Q314T304-K310 WeakPolarHBondContact OG1-CG 3.39Å; L308-K310 PolarHBondContact O-N 3.13Å; K310-Q314 WeakPolarHBondContact O-CB 3.47Å; K310-Q314 WeakPolarHBondContact O-CG 3.45Å; K310-Q314 PolarHBondContact O-N 2.76Å
311K61.3Low49.9Very low153 Ų15360.3 Ų60.367%0.66531%0.305SS*.Hα-helixtrans-75.5-43.8-177.2-66.6-174.8178.2-1780111D309 F313 Q314 N315D309-K311 PolarHBondContact O-N 2.93Å; D309-K311 WeakPolarHBondContact OD1-CB 3.23Å; D309-K311 PolarHBondContact OD1-N 2.66Å; K311-F313 VanDerWaalsContact C-N 3.29Å; K311-F313 PolarHBondContact O-N 2.96Å; K311-Q314 PolarHBondContact O-N 2.81Å; K311-N315 WeakPolarHBondContact O-CB 3.36Å; K311-N315 VanDerWaalsContact O-CG 3.29Å; K311-N315 PolarHBondContact O-N 3.4Å; K311-N315 PolarHBondContact O-ND2 3.41Å
312A59.3Low49.9Very low10 Ų1061.3 Ų61.38%0.08331%0.307CS..Hα-helixtrans-63.5-37.217600000111.7D309 D316 G317 I318 M320D309-A312 HydrophobicContact CB-CB 3.85Å; D309-A312 PolarHBondContact O-N 3.42Å; D309-A312 PolarHBondContact OD1-N 2.74Å; D309-A312 VanDerWaalsContact OD1-N 3.15Å; A312-D316 CarbonylContact O-C 3.57Å; A312-D316 WeakPolarHBondContact O-CA 3.36Å; A312-D316 WeakPolarHBondContact O-CB 3.29Å; A312-D316 PolarHBondContact O-N 2.93Å; A312-G317 PolarHBondContact O-N 2.73Å; A312-I318 CarbonylContact C-O 3.45Å; A312-I318 HydrophobicContact CB-CB 4.22Å; A312-I318 PolarHBondContact O-N 2.76Å; A312-M320 HydrophobicContact CB-CG 3.8Å; A312-M320 HydrophobicContact CB-SD 3.59Å; A312-M320 VanDerWaalsContact CB-SD 3.59Å
313F54.4Low49.7Very low13 Ų1363.3 Ų63.36%0.05732%0.319CS..Hα-helixtrans-72.3-46177-177.2-96.2000112.5L292 I302 T304 D309 K311 G317 I318 L319L292-F313 HydrophobicContact CD1-CE2 3.97Å; I302-F313 HydrophobicContact CB-CE1 3.9Å; I302-F313 HydrophobicContact CD1-CE1 3.54Å; I302-F313 HydrophobicContact CD1-CZ 4.05Å; I302-F313 HydrophobicContact CG1-CE1 4.22Å; I302-F313 HydrophobicContact CG2-CD1 4.03Å; I302-F313 HydrophobicContact CG2-CE1 3.16Å; I302-F313 HydrophobicContact CG2-CZ 3.77Å; T304-F313 HydrophobicContact CG2-CB 4.03Å; T304-F313 HydrophobicContact CG2-CD1 3.25Å; T304-F313 HydrophobicContact CG2-CE1 3.87Å; T304-F313 HydrophobicContact CG2-CG 3.66Å; D309-F313 PolarHBondContact O-N 2.85Å; K311-F313 VanDerWaalsContact C-N 3.29Å; K311-F313 PolarHBondContact O-N 2.96Å; F313-G317 VanDerWaalsContact O-CA 3.27Å; F313-G317 WeakPolarHBondContact O-CA 3.31Å; F313-G317 PolarHBondContact O-N 2.81Å; F313-I318 VanDerWaalsContact CA-O 3.31Å; F313-I318 WeakPolarHBondContact CA-O 3.47Å; F313-I318 PolarHBondContact N-O 3.21Å; F313-L319 HydrophobicContact CD2-CD2 3.71Å; F313-L319 HydrophobicContact CD2-CG 3.87Å; F313-L319 HydrophobicContact CE2-CD2 4.01Å; F313-L319 HydrophobicContact CE2-CG 4.1Å; F313-L319 HydrophobicContact CG-CD2 4.49Å
314Q55.9Low50.2Low111 Ų11165.5 Ų65.552%0.51933%0.329SS..Hα-helixtrans-69-38.6-179.4-74.7174.8-12.800113.4K310 K311K310-Q314 WeakPolarHBondContact O-CB 3.47Å; K310-Q314 WeakPolarHBondContact O-CG 3.45Å; K310-Q314 PolarHBondContact O-N 2.76Å; K311-Q314 PolarHBondContact O-N 2.81Å
315N61.6Low50.4Low124 Ų12468.5 Ų68.566%0.66335%0.351SS*.Hα-helixtrans-88-40.5-175.9-63.5-20000112.2K311K311-N315 WeakPolarHBondContact O-CB 3.36Å; K311-N315 VanDerWaalsContact O-CG 3.29Å; K311-N315 PolarHBondContact O-N 3.4Å; K311-N315 PolarHBondContact O-ND2 3.41Å
316D60.8Low50.2Low93 Ų9376 Ų7650%0.49738%0.378SS..Hα-helixtrans-119.1-3.4-166.9-58-54000113.9K291 A312 I318K291-D316 WeakPolarHBondContact CE-O 3.4Å; A312-D316 CarbonylContact O-C 3.57Å; A312-D316 WeakPolarHBondContact O-CA 3.36Å; A312-D316 WeakPolarHBondContact O-CB 3.29Å; A312-D316 PolarHBondContact O-N 2.93Å; D316-I318 HydrophobicContact CB-CB 4.46Å; D316-I318 HydrophobicContact CB-CD1 3.6Å; D316-I318 HydrophobicContact CB-CG1 3.74Å; D316-I318 PolarHBondContact O-N 2.94Å
317G56.7Low50.1Low7 Ų778 Ų787%0.07239%0.39CS..  trans68.119.9-173.500000113.3L292 A312 F313L292-G317 WeakPolarHBondContact CA-O 3.44Å; L292-G317 WeakPolarHBondContact CB-O 3.41Å; L292-G317 PolarHBondContact N-O 3.24Å; L292-G317 VanDerWaalsContact O-O 3.11Å; A312-G317 PolarHBondContact O-N 2.73Å; F313-G317 VanDerWaalsContact O-CA 3.27Å; F313-G317 WeakPolarHBondContact O-CA 3.31Å; F313-G317 PolarHBondContact O-N 2.81Å
318I57.4Low49.7Very low39 Ų3980.8 Ų80.820%0.240%0.4CS..EExtended strand (participates in β ladder)trans-95117.2-173.2-60.8173.8000110.1K291 A312 F313 D316 M320K291-I318 HydrophobicContact CD-CG1 4.28Å; K291-I318 HydrophobicContact CG-CG1 4.19Å; A312-I318 CarbonylContact C-O 3.45Å; A312-I318 HydrophobicContact CB-CB 4.22Å; A312-I318 PolarHBondContact O-N 2.76Å; F313-I318 VanDerWaalsContact CA-O 3.31Å; F313-I318 WeakPolarHBondContact CA-O 3.47Å; F313-I318 PolarHBondContact N-O 3.21Å; D316-I318 HydrophobicContact CB-CB 4.46Å; D316-I318 HydrophobicContact CB-CD1 3.6Å; D316-I318 HydrophobicContact CB-CG1 3.74Å; D316-I318 PolarHBondContact O-N 2.94Å; I318-M320 HydrophobicContact CG2-CB 4.16Å; I318-M320 HydrophobicContact CG2-CG 4.22Å; I318-M320 HydrophobicContact CG2-SD 4.3Å; I318-M320 PolarHBondContact O-N 3.22Å
319L54.1Low49.2Very low30 Ų3083.9 Ų83.916%0.15742%0.422CS..EExtended strand (participates in β ladder)trans-82.1102.2168.3-74.2165.8000109.1I276 V290 L292 L308 F313I276-L319 HydrophobicContact CG2-CD1 4.32Å; V290-L319 WeakPolarHBondContact O-CB 3.38Å; V290-L319 PolarHBondContact O-N 2.99Å; L292-L319 HydrophobicContact CD1-CD1 3.4Å; L292-L319 VanDerWaalsContact CD1-CD1 3.4Å; L292-L319 HydrophobicContact CD1-CG 4.04Å; L292-L319 HydrophobicContact CG-CD1 3.98Å; L308-L319 HydrophobicContact CD1-CD2 3.63Å; L308-L319 HydrophobicContact CD2-CD2 4.31Å; F313-L319 HydrophobicContact CD2-CD2 3.71Å; F313-L319 HydrophobicContact CD2-CG 3.87Å; F313-L319 HydrophobicContact CE2-CD2 4.01Å; F313-L319 HydrophobicContact CE2-CG 4.1Å; F313-L319 HydrophobicContact CG-CD2 4.49Å
320M49.3Very low48.1Very low59 Ų5988.1 Ų88.129%0.29144%0.444SS..  trans-136.7153.6175.266.1179.7-67.900111.5L308 D309 A312 I318L308-M320 CarbonylContact C-O 3.6Å; L308-M320 WeakPolarHBondContact CA-O 3.04Å; L308-M320 WeakPolarHBondContact CD2-O 3.45Å; D309-M320 HydrophobicContact CB-CG 3.61Å; D309-M320 HydrophobicContact CB-SD 4.28Å; D309-M320 PolarHBondContact N-O 3.04Å; A312-M320 HydrophobicContact CB-CG 3.8Å; A312-M320 HydrophobicContact CB-SD 3.59Å; A312-M320 VanDerWaalsContact CB-SD 3.59Å; I318-M320 HydrophobicContact CG2-CB 4.16Å; I318-M320 HydrophobicContact CG2-CG 4.22Å; I318-M320 HydrophobicContact CG2-SD 4.3Å; I318-M320 PolarHBondContact O-N 3.22Å
321L44.2Very low46.7Very low45 Ų4588.5 Ų88.524%0.23645%0.451CS..BIsolated β-bridgetrans-73.4139.8172.1-78.2167.2000111N307 N323 F328N307-L321 HydrophobicContact CB-CD2 3.72Å; N307-L321 CarbonylContact O-C 3.51Å; N307-L321 VanDerWaalsContact O-CA 3.29Å; N307-L321 WeakPolarHBondContact O-CA 3.37Å; N307-L321 WeakPolarHBondContact O-CD2 3.31Å; L321-N323 PolarHBondContact O-N 3.24Å; L321-F328 HydrophobicContact CD1-CE2 4.22Å; L321-F328 HydrophobicContact CD2-CD2 4.18Å; L321-F328 HydrophobicContact CD2-CE1 4.29Å; L321-F328 HydrophobicContact CD2-CE2 3.42Å; L321-F328 VanDerWaalsContact CD2-CE2 3.42Å; L321-F328 HydrophobicContact CD2-CZ 3.44Å; L321-F328 VanDerWaalsContact CD2-CZ 3.44Å; L321-F328 HydrophobicContact CG-CE2 4.02Å; L321-F328 HydrophobicContact CG-CZ 4.1Å
322K45.9Very low45.1Very low119 Ų11987.8 Ų87.852%0.51746%0.459SS..SBendtrans-63-30.5170.9-74.5177.7-178.5153.50112.9P306 N307 L308 D309P306-K322 PolarHBondContact O-NZ 3.44Å; N307-K322 PolarHBondContact O-N 3.06Å; L308-K322 WeakPolarHBondContact O-CE 3.15Å; D309-K322 HydrophobicContact CB-CG 4.07Å
323N45.5Very low43.5Very low95 Ų9593 Ų9351%0.50849%0.486SS..SBendtrans-144119-178.6-172.6-14.3000108.6L321 S325L321-N323 PolarHBondContact O-N 3.24Å; N323-S325 VanDerWaalsContact CG-OG 3.31Å; N323-S325 PolarHBondContact ND2-OG 3.15Å; N323-S325 PolarHBondContact O-N 2.99Å; N323-S325 PolarHBondContact OD1-N 3.02Å; N323-S325 PolarHBondContact OD1-OG 3.29Å
324Q54Low42Very low140 Ų14096.1 Ų96.165%0.65451%0.514SS*.THydrogen-bonded Turntrans-69.33.1-173.8-64.8-177.7-300114.4
325S42.1Very low40.6Very low84 Ų8493.8 Ų93.859%0.58752%0.519SS*.THydrogen-bonded Turntrans-109.74.7-169.961.60000116.1N323N323-S325 VanDerWaalsContact CG-OG 3.31Å; N323-S325 PolarHBondContact ND2-OG 3.15Å; N323-S325 PolarHBondContact O-N 2.99Å; N323-S325 PolarHBondContact OD1-N 3.02Å; N323-S325 PolarHBondContact OD1-OG 3.29Å
326R34.4Very low38.9Very low188 Ų18891.9 Ų91.971%0.70951%0.514SS*.  trans-143.9141.6-178.1-65.2-167.9-174.2-152.71.9115.3
327P31.8Very low37.2Very low116 Ų11693 Ų9375%0.75351%0.514SS*.  trans-79.8168177.731-33.2000115.1N307N307-P327 PolarHBondContact ND2-O 2.81Å
328F28.3Very low35.7Very low107 Ų10794.5 Ų94.547%0.46952%0.524SS..  trans-82135.5-169.2-75.4-108.2000114.9H305 L308 L321H305-F328 HydrophobicContact CB-CD1 3.93Å; H305-F328 HydrophobicContact CB-CE1 3.82Å; H305-F328 AromaticContact CD2-CD1 3.48Å; H305-F328 VanDerWaalsContact CD2-CD1 3.48Å; H305-F328 WeakPolarHBondContact CD2-CD1 3.42Å; H305-F328 AromaticContact CE1-CD1 3.21Å; H305-F328 WeakPolarHBondContact CE1-CD1 3.04Å; H305-F328 AromaticContact CE1-CG 3.7Å; H305-F328 AromaticContact CG-CD1 3.22Å; H305-F328 AromaticContact CG-CE1 3.6Å; H305-F328 AromaticContact ND1-CD1 3.03Å; H305-F328 WeakPolarHBondContact ND1-CD1 3.49Å; H305-F328 AromaticContact ND1-CE1 3.46Å; H305-F328 WeakPolarHBondContact ND1-CE1 3.27Å; H305-F328 AromaticContact ND1-CG 3.93Å; H305-F328 AromaticContact NE2-CD1 3.43Å; H305-F328 WeakPolarHBondContact NE2-CD1 3.31Å; H305-F328 AromaticContact NE2-CG 3.93Å; L308-F328 HydrophobicContact CD1-CE1 4.35Å; L308-F328 HydrophobicContact CD2-CE1 4.15Å; L308-F328 HydrophobicContact CD2-CZ 3.91Å; L308-F328 HydrophobicContact CG-CE1 3.88Å; L308-F328 HydrophobicContact CG-CZ 4.17Å; L321-F328 HydrophobicContact CD1-CE2 4.22Å; L321-F328 HydrophobicContact CD2-CD2 4.18Å; L321-F328 HydrophobicContact CD2-CE1 4.29Å; L321-F328 HydrophobicContact CD2-CE2 3.42Å; L321-F328 VanDerWaalsContact CD2-CE2 3.42Å; L321-F328 HydrophobicContact CD2-CZ 3.44Å; L321-F328 VanDerWaalsContact CD2-CZ 3.44Å; L321-F328 HydrophobicContact CG-CE2 4.02Å; L321-F328 HydrophobicContact CG-CZ 4.1Å
329P30.6Very low34.2Very low88 Ų88101 Ų10157%0.57155%0.551SS**  trans-135.4151.3150.331.9-14.7000117.3H305H305-P329 PolarHBondContact CE1-O 3.17Å; H305-P329 PolarHBondContact NE2-O 3.26Å
330L26.8Very low33.8Very low132 Ų132104.5 Ų104.569%0.69157%0.565SS**  trans-96.8167.8-154.1-67.5149.7000116.8
331N26Very low34.1Very low105 Ų105109.9 Ų109.956%0.56159%0.587SS**  trans97.986.4158.6-56.9-22.8000120.5N113N113-N331 PolarHBondContact OD1-ND2 2.81Å
332T27.2Very low35.3Very low138 Ų138108.4 Ų108.485%0.84758%0.579SS**  trans-166.1121.8140.9-36.80000112
333D25.9Very low36.8Very low121 Ų121102.9 Ų102.965%0.64756%0.555SS**  trans-132148.4176.3-66.9-21.1000113.4Q303Q303-D333 WeakPolarHBondContact CB-OD1 3.47Å; Q303-D333 VanDerWaalsContact CD-CB 3.45Å; Q303-D333 VanDerWaalsContact CG-OD1 3.27Å; Q303-D333 WeakPolarHBondContact CG-OD1 3.32Å; Q303-D333 VanDerWaalsContact OE1-CB 3.23Å; Q303-D333 PolarHBondContact OE1-OD1 2.78Å; Q303-D333 PolarHBondContact OE1-OD2 2.77Å
334A23.4Very low38.4Very low78 Ų78100.7 Ų100.765%0.64554%0.543SS*.  trans-150.8136.6162.100000111.5Q301 Q303Q301-A334 PolarHBondContact OE1-O 2.87Å; Q303-A334 PolarHBondContact NE2-O 2.77Å
335G25.7Very low39.8Very low61 Ų6194 Ų9463%0.62951%0.512SS*.  trans-75.6-179.9-174.200000116.1Q301Q301-G335 PolarHBondContact OE1-O 2.9Å
336P27.9Very low41.5Very low84 Ų8491.3 Ų91.355%0.54549%0.491SS..  -152.117757.344.1-22.9000119.3
337F23.3Very low43.5Very low117 Ų11782.7 Ų82.751%0.51346%0.459SS..  trans37.9128.9145.8-121.1-101.4000123.7F339F337-F339 HydrophobicContact CE1-CE2 4.49Å
338S25.1Very low45.8Very low39 Ų3983 Ų8327%0.27345%0.445SS..  trans-161.1148.3147.1560000115.1G299 F340G299-S338 PolarHBondContact O-OG 3.08Å; S338-F340 WeakPolarHBondContact OG-CE2 3.28Å
339F27.2Very low48.2Very low174 Ų17479.2 Ų79.276%0.76343%0.432SS*.  trans-72.7117.5-177.4-86.7-105.4000113.1F337F337-F339 HydrophobicContact CE1-CE2 4.49Å
340F46Very low50.2Low105 Ų10578.4 Ų78.446%0.46143%0.428SS..  trans-150.3131.9164.7-62.9-78.1000111.8L270 S338 I342 F448L270-F340 HydrophobicContact CD2-CB 4.32Å; L270-F340 WeakPolarHBondContact CD2-O 3.21Å; S338-F340 WeakPolarHBondContact OG-CE2 3.28Å; F340-I342 WeakPolarHBondContact O-CG1 3.3Å; F340-F448 HydrophobicContact CB-CE1 3.74Å; F340-F448 HydrophobicContact CB-CZ 3.38Å; F340-F448 HydrophobicContact CD2-CE1 4.04Å; F340-F448 HydrophobicContact CG-CE1 4.03Å; F340-F448 HydrophobicContact CG-CZ 4.09Å
341K54.6Low52.4Low171 Ų17176.9 Ų76.974%0.74342%0.421SS*.  trans-80.9138.7175.2-61.7-177177.1-172.80110.3D365K341-D365 HydrophobicContact CB-CB 4.29Å
342I69.9Low54.3Low14 Ų1473.7 Ų73.77%0.07241%0.413CS..  trans-129.3-86.8-166.5-45.2-169.8000110.2I257 L270 F340 D365 N366 L369 F448I257-I342 HydrophobicContact CD1-CD1 3.12Å; I257-I342 HydrophobicContact CD1-CG1 4.44Å; I257-I342 HydrophobicContact CG1-CD1 4.48Å; L270-I342 HydrophobicContact CD1-CD1 3.67Å; L270-I342 HydrophobicContact CD2-CD1 4.06Å; L270-I342 HydrophobicContact CG-CD1 4.49Å; F340-I342 WeakPolarHBondContact O-CG1 3.3Å; I342-D365 PolarHBondContact O-N 3.35Å; I342-D365 VanDerWaalsContact O-N 3.15Å; I342-N366 PolarHBondContact O-N 3.47Å; I342-L369 HydrophobicContact CG2-CD1 3.59Å; I342-F448 HydrophobicContact CB-CE2 3.96Å; I342-F448 HydrophobicContact CD1-CD2 3.67Å; I342-F448 HydrophobicContact CD1-CE1 4Å; I342-F448 HydrophobicContact CD1-CE2 3.15Å; I342-F448 HydrophobicContact CD1-CG 4.33Å; I342-F448 HydrophobicContact CD1-CZ 3.28Å; I342-F448 HydrophobicContact CG1-CD2 4.1Å; I342-F448 HydrophobicContact CG1-CE2 3.21Å; I342-F448 HydrophobicContact CG1-CZ 3.47Å; I342-F448 VanDerWaalsContact CG1-CZ 3.47Å; I342-F448 HydrophobicContact CG2-CD2 4.02Å; I342-F448 HydrophobicContact CG2-CE2 3.81Å
343F77.6Confident56.3Low4 Ų479.5 Ų79.52%0.01842%0.419CS..EExtended strand (participates in β ladder)trans-137.3118.6179.9174.2-107.9000103.7V345 Y362 T363 L364 L371 V374 I376 I414 V440 F442 Y473F343-V345 HydrophobicContact CD1-CG2 4.05Å; F343-V345 HydrophobicContact CE1-CG2 3.38Å; F343-V345 HydrophobicContact CZ-CG2 3.86Å; F343-Y362 HydrophobicContact CD2-CD2 4.48Å; F343-Y362 AromaticContact CE2-CD2 3.49Å; F343-Y362 HydrophobicContact CE2-CD2 3.49Å; F343-Y362 VanDerWaalsContact CE2-CD2 3.49Å; F343-Y362 HydrophobicContact CE2-CE2 4.34Å; F343-Y362 AromaticContact CE2-CG 3.75Å; F343-Y362 HydrophobicContact CE2-CG 3.75Å; F343-Y362 HydrophobicContact CZ-CD2 4.09Å; F343-Y362 AromaticContact CZ-CG 3.86Å; F343-Y362 HydrophobicContact CZ-CG 3.86Å; F343-T363 WeakPolarHBondContact CA-O 3.23Å; F343-L364 HydrophobicContact CB-CD1 4.25Å; F343-L364 HydrophobicContact CD2-CB 4.34Å; F343-L364 HydrophobicContact CD2-CD1 4.17Å; F343-L371 HydrophobicContact CB-CD1 3.82Å; F343-L371 HydrophobicContact CD1-CD1 4.22Å; F343-L371 HydrophobicContact CD2-CD1 3.61Å; F343-L371 HydrophobicContact CE2-CD1 4.18Å; F343-L371 HydrophobicContact CG-CD1 3.62Å; F343-V374 HydrophobicContact CE1-CG1 4.16Å; F343-V374 HydrophobicContact CZ-CG1 4.05Å; F343-I376 HydrophobicContact CE1-CD1 4.48Å; F343-I376 HydrophobicContact CZ-CD1 4.32Å; F343-I414 HydrophobicContact CE2-CD1 3.47Å; F343-I414 VanDerWaalsContact CE2-CD1 3.47Å; F343-I414 HydrophobicContact CE2-CG2 4.37Å; F343-I414 HydrophobicContact CZ-CD1 3.66Å; F343-V440 HydrophobicContact CD1-CG1 4.23Å; F343-V440 HydrophobicContact CE1-CG1 3.84Å; F343-F442 HydrophobicContact CD1-CD1 4.49Å; F343-F442 HydrophobicContact CD1-CE1 4.37Å; F343-Y473 HydrophobicContact CD1-CE2 4.43Å; F343-Y473 PolarHBondContact O-OH 3.13Å
344L79.1Confident58.4Low49 Ų4983 Ų8326%0.25743%0.429SS..EExtended strand (participates in β ladder)trans-108.2133.5-176.1-175.271.3000108.1Y362 T363L344-Y362 CarbonylContact O-C 3.59Å; L344-Y362 VanDerWaalsContact O-CA 3.24Å; L344-Y362 WeakPolarHBondContact O-CA 3.46Å; L344-T363 PolarHBondContact N-O 3.23Å; L344-T363 PolarHBondContact O-N 2.8Å
345V83.2Confident60.9Low0 Ų079.9 Ų79.90%040%0.404CS..EExtended strand (participates in β ladder)trans-119.2126170.7174.30000107.3Q261 F343 I360 E361 I376 V440 I475Q261-V345 PolarHBondContact NE2-O 3.14Å; F343-V345 HydrophobicContact CD1-CG2 4.05Å; F343-V345 HydrophobicContact CE1-CG2 3.38Å; F343-V345 HydrophobicContact CZ-CG2 3.86Å; V345-I360 HydrophobicContact CG1-CG2 3.74Å; V345-E361 CarbonylContact C-O 3.45Å; V345-E361 WeakPolarHBondContact CA-O 3.31Å; V345-I376 HydrophobicContact CG1-CD1 4.2Å; V345-I376 HydrophobicContact CG1-CG2 4.21Å; V345-I376 HydrophobicContact CG2-CD1 3.69Å; V345-I376 HydrophobicContact CG2-CG1 4.22Å; V345-V440 HydrophobicContact CB-CG2 4.48Å; V345-V440 HydrophobicContact CG2-CG2 4.11Å; V345-I475 HydrophobicContact CB-CD1 3.74Å; V345-I475 HydrophobicContact CG1-CD1 3.79Å; V345-I475 VanDerWaalsContact O-CD1 3.26Å; V345-I475 WeakPolarHBondContact O-CD1 3.5Å
346N77.5Confident63.6Low27 Ų2777 Ų7714%0.14437%0.374CS..EExtended strand (participates in β ladder)trans-112.6143.9176.9-63.6-44.8000108.9W348 I360 E361N346-W348 HydrophobicContact CB-CD2 4.48Å; N346-W348 HydrophobicContact CB-CE3 4.32Å; N346-W348 HydrophobicContact CB-CH2 3.36Å; N346-W348 HydrophobicContact CB-CZ2 3.5Å; N346-W348 VanDerWaalsContact CB-CZ2 3.5Å; N346-W348 HydrophobicContact CB-CZ3 3.78Å; N346-I360 CarbonylContact O-C 3.36Å; N346-I360 VanDerWaalsContact O-CA 3.27Å; N346-I360 WeakPolarHBondContact O-CA 3.37Å; N346-I360 WeakPolarHBondContact O-CG2 3.43Å; N346-E361 PolarHBondContact N-O 2.89Å; N346-E361 PolarHBondContact O-N 3.23Å
347C77.2Confident66.1Low6 Ų676.8 Ų76.84%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-136.1121.5178.9176.70000109P349 N359 I360 F436 I438C347-P349 VanDerWaalsContact O-CD 3.31Å; C347-P349 WeakPolarHBondContact O-CD 3.37Å; C347-N359 WeakPolarHBondContact CA-O 3.43Å; C347-I360 HydrophobicContact CB-CG1 4.11Å; C347-F436 HydrophobicContact CB-CE1 4.34Å; C347-F436 HydrophobicContact CB-CZ 4.23Å; C347-I438 HydrophobicContact CB-CD1 3.31Å
348W78.7Confident68.9Low122 Ų12271.4 Ų71.446%0.46235%0.345SS..EExtended strand (participates in β ladder)trans-117.686.6179.4-59.4-77000109.9N346 N359 E361N346-W348 HydrophobicContact CB-CD2 4.48Å; N346-W348 HydrophobicContact CB-CE3 4.32Å; N346-W348 HydrophobicContact CB-CH2 3.36Å; N346-W348 HydrophobicContact CB-CZ2 3.5Å; N346-W348 VanDerWaalsContact CB-CZ2 3.5Å; N346-W348 HydrophobicContact CB-CZ3 3.78Å; W348-N359 PolarHBondContact N-O 3.27Å; W348-N359 PolarHBondContact O-N 2.87Å; W348-E361 HydrophobicContact CH2-CB 4.43Å; W348-E361 HydrophobicContact CZ3-CB 3.9Å; W348-E361 HydrophobicContact CZ3-CG 3.78Å; W348-E361 WeakPolarHBondContact CZ3-OE2 3.34Å
349P79.3Confident71.6Confident28 Ų2871.3 Ų71.318%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-75.1134.7169.230.9-33000110.8C347 D357 V358 A432 F435 F436C347-P349 VanDerWaalsContact O-CD 3.31Å; C347-P349 WeakPolarHBondContact O-CD 3.37Å; P349-D357 CarbonylContact C-O 3.47Å; P349-V358 HydrophobicContact CB-CG1 4.47Å; P349-V358 HydrophobicContact CB-CG2 4.12Å; P349-A432 HydrophobicContact CB-CB 3.93Å; P349-A432 HydrophobicContact CG-CB 3.59Å; P349-F435 HydrophobicContact CB-CD2 3.76Å; P349-F435 HydrophobicContact CB-CE2 4.26Å; P349-F435 HydrophobicContact CG-CD2 4.45Å; P349-F436 HydrophobicContact CG-CE2 3.97Å; P349-F436 HydrophobicContact CG-CZ 4.46Å
350S72.6Confident74.3Confident71 Ų7163 Ų6350%0.49731%0.305SS..EExtended strand (participates in β ladder)trans-121.3113.6178.8-64.20000109.7G352 C356 D357S350-G352 PolarHBondContact O-N 2.87Å; S350-C356 VanDerWaalsContact C-SG 3.54Å; S350-C356 WeakPolarHBondContact O-CA 3.21Å; S350-C356 PolarHBondContact O-SG 2.93Å; S350-C356 VanDerWaalsContact O-SG 3.34Å; S350-D357 PolarHBondContact N-O 2.84Å; S350-D357 PolarHBondContact O-N 3.22Å
351D72.9Confident76Confident100 Ų10061.5 Ų61.554%0.53530%0.3SS..EExtended strand (participates in β ladder)trans-69.9114.3-179.7-67.6-25000110.7C356 T431 A432D351-C356 PolarHBondContact OD1-SG 2.9Å; D351-T431 WeakPolarHBondContact OD1-CA 3.31Å; D351-A432 PolarHBondContact OD1-N 2.95Å
352G66.5Low77.5Confident39 Ų3953.6 Ų53.640%0.40227%0.265SS..EExtended strand (participates in β ladder)trans-97.4170.617500000112.7S350 K354 G355S350-G352 PolarHBondContact O-N 2.87Å; G352-K354 PolarHBondContact O-N 2.8Å; G352-G355 CarbonylContact C-O 3.5Å; G352-G355 VanDerWaalsContact CA-O 3.23Å; G352-G355 WeakPolarHBondContact CA-O 3.16Å; G352-G355 PolarHBondContact N-O 2.74Å
353R68.1Low78.1Confident260 Ų26054.4 Ų54.498%0.98127%0.271SS*.THydrogen-bonded Turntrans-66.4-19.6-179-63.6-170.9-163.3-148.44.2114.4
354K69.9Low78.4Confident194 Ų19454.3 Ų54.384%0.84327%0.271SS*.THydrogen-bonded Turntrans-132.617.7-173.1-66.8-173177.8-179.30112.8G352 A428G352-K354 PolarHBondContact O-N 2.8Å; K354-A428 CarbonylContact O-C 3.57Å; K354-A428 VanDerWaalsContact O-O 3.04Å
355G76.9Confident78.1Confident12 Ų1255.6 Ų55.612%0.12428%0.278CS..EExtended strand (participates in β ladder)trans159-175.9-165.900000113.2G352 T427G352-G355 CarbonylContact C-O 3.5Å; G352-G355 VanDerWaalsContact CA-O 3.23Å; G352-G355 WeakPolarHBondContact CA-O 3.16Å; G352-G355 PolarHBondContact N-O 2.74Å; G355-T427 CarbonylContact C-O 3.59Å; G355-T427 WeakPolarHBondContact CA-O 3.13Å
356C81.6Confident77.8Confident0 Ų056.6 Ų56.60%028%0.283CS..EExtended strand (participates in β ladder)trans-123.3129.7171.9-163.60000108.4S350 D351 T426 T427 F435S350-C356 VanDerWaalsContact C-SG 3.54Å; S350-C356 WeakPolarHBondContact O-CA 3.21Å; S350-C356 PolarHBondContact O-SG 2.93Å; S350-C356 VanDerWaalsContact O-SG 3.34Å; D351-C356 PolarHBondContact OD1-SG 2.9Å; C356-T426 WeakPolarHBondContact O-CA 3.49Å; C356-T427 PolarHBondContact N-O 3.15Å; C356-T427 VanDerWaalsContact N-O 3.11Å; C356-T427 PolarHBondContact O-N 2.84Å; C356-F435 HydrophobicContact CB-CE2 3.6Å; C356-F435 HydrophobicContact CB-CZ 3.78Å; C356-F435 WeakPolarHBondContact SG-CE2 3.38Å
357D80.7Confident77.9Confident80 Ų8060.7 Ų60.743%0.42830%0.301SS..EExtended strand (participates in β ladder)trans-92.6124.4173.1-64.8-41.1000107.8P349 S350 T426P349-D357 CarbonylContact C-O 3.47Å; S350-D357 PolarHBondContact N-O 2.84Å; S350-D357 PolarHBondContact O-N 3.22Å; D357-T426 WeakPolarHBondContact OD1-CB 3.24Å; D357-T426 WeakPolarHBondContact OD1-CG2 3.46Å; D357-T426 PolarHBondContact OD1-OG1 2.92Å
358V82.1Confident78.2Confident4 Ų466.9 Ų66.92%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-122.6120.1-172.8-171.70000108.9P349 I360 E424 F425 F435P349-V358 HydrophobicContact CB-CG1 4.47Å; P349-V358 HydrophobicContact CB-CG2 4.12Å; V358-I360 HydrophobicContact CG1-CD1 4.2Å; V358-I360 HydrophobicContact CG1-CG1 3.92Å; V358-E424 WeakPolarHBondContact O-CA 3.45Å; V358-F425 HydrophobicContact CB-CD1 4.2Å; V358-F425 HydrophobicContact CB-CD2 4.34Å; V358-F425 HydrophobicContact CB-CE1 3.74Å; V358-F425 HydrophobicContact CB-CE2 3.89Å; V358-F425 HydrophobicContact CB-CG 4.48Å; V358-F425 HydrophobicContact CB-CZ 3.58Å; V358-F425 HydrophobicContact CG1-CE1 3.73Å; V358-F425 HydrophobicContact CG1-CE2 4.45Å; V358-F425 HydrophobicContact CG1-CZ 3.67Å; V358-F425 HydrophobicContact CG2-CE2 3.87Å; V358-F425 HydrophobicContact CG2-CZ 3.9Å; V358-F425 PolarHBondContact N-O 2.83Å; V358-F425 PolarHBondContact O-N 2.92Å; V358-F435 HydrophobicContact CG2-CD1 3.97Å; V358-F435 HydrophobicContact CG2-CD2 3.94Å; V358-F435 HydrophobicContact CG2-CE1 3.73Å; V358-F435 HydrophobicContact CG2-CE2 3.72Å; V358-F435 HydrophobicContact CG2-CG 4.06Å; V358-F435 HydrophobicContact CG2-CZ 3.6Å
359N81.7Confident78.5Confident37 Ų3761.1 Ų61.120%0.19830%0.302CS..EExtended strand (participates in β ladder)trans-109.7127.6170.2-178.6-21.2000108.9C347 W348 E424C347-N359 WeakPolarHBondContact CA-O 3.43Å; W348-N359 PolarHBondContact N-O 3.27Å; W348-N359 PolarHBondContact O-N 2.87Å; N359-E424 HydrophobicContact CB-CG 4.25Å; N359-E424 PolarHBondContact ND2-OE1 2.81Å
360I83.5Confident79Confident0 Ų064 Ų640%031%0.313CS..EExtended strand (participates in β ladder)trans-123.3126177.8-51.5-176.2000108.7V345 N346 C347 V358 V378 W409 A422 L423 F425V345-I360 HydrophobicContact CG1-CG2 3.74Å; N346-I360 CarbonylContact O-C 3.36Å; N346-I360 VanDerWaalsContact O-CA 3.27Å; N346-I360 WeakPolarHBondContact O-CA 3.37Å; N346-I360 WeakPolarHBondContact O-CG2 3.43Å; C347-I360 HydrophobicContact CB-CG1 4.11Å; V358-I360 HydrophobicContact CG1-CD1 4.2Å; V358-I360 HydrophobicContact CG1-CG1 3.92Å; I360-V378 HydrophobicContact CD1-CB 4.29Å; I360-V378 HydrophobicContact CD1-CG1 4.09Å; I360-V378 HydrophobicContact CD1-CG2 3.28Å; I360-W409 HydrophobicContact CB-CZ3 4.23Å; I360-W409 HydrophobicContact CG2-CE3 4.21Å; I360-W409 HydrophobicContact CG2-CZ3 3.82Å; I360-A422 CarbonylContact O-C 3.57Å; I360-A422 VanDerWaalsContact O-CA 3.3Å; I360-A422 WeakPolarHBondContact O-CA 3.39Å; I360-L423 PolarHBondContact N-O 3.36Å; I360-L423 PolarHBondContact O-N 3.21Å; I360-F425 HydrophobicContact CD1-CE1 3.93Å; I360-F425 HydrophobicContact CG1-CE1 4.44Å
361E82.7Confident79.9Confident74 Ų7460.6 Ų60.635%0.34629%0.289SS..EExtended strand (participates in β ladder)trans-121.7143.8177.8-66.3175.5-177.600109.9V345 N346 W348 G421 A422V345-E361 CarbonylContact C-O 3.45Å; V345-E361 WeakPolarHBondContact CA-O 3.31Å; N346-E361 PolarHBondContact N-O 2.89Å; N346-E361 PolarHBondContact O-N 3.23Å; W348-E361 HydrophobicContact CH2-CB 4.43Å; W348-E361 HydrophobicContact CZ3-CB 3.9Å; W348-E361 HydrophobicContact CZ3-CG 3.78Å; W348-E361 WeakPolarHBondContact CZ3-OE2 3.34Å; E361-G421 WeakPolarHBondContact CA-O 3.5Å; E361-A422 HydrophobicContact CG-CB 4.1Å
362Y86.8Confident80.9Confident5 Ų558.1 Ų58.12%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-111.6152.7166.474.4-101.7000111.6F343 L344 W409 L411 I414 N418 Q420 G421F343-Y362 HydrophobicContact CD2-CD2 4.48Å; F343-Y362 AromaticContact CE2-CD2 3.49Å; F343-Y362 HydrophobicContact CE2-CD2 3.49Å; F343-Y362 VanDerWaalsContact CE2-CD2 3.49Å; F343-Y362 HydrophobicContact CE2-CE2 4.34Å; F343-Y362 AromaticContact CE2-CG 3.75Å; F343-Y362 HydrophobicContact CE2-CG 3.75Å; F343-Y362 HydrophobicContact CZ-CD2 4.09Å; F343-Y362 AromaticContact CZ-CG 3.86Å; F343-Y362 HydrophobicContact CZ-CG 3.86Å; L344-Y362 CarbonylContact O-C 3.59Å; L344-Y362 VanDerWaalsContact O-CA 3.24Å; L344-Y362 WeakPolarHBondContact O-CA 3.46Å; Y362-W409 AromaticContact CD1-CH2 3.41Å; Y362-W409 HydrophobicContact CD1-CH2 3.41Å; Y362-W409 VanDerWaalsContact CD1-CH2 3.41Å; Y362-W409 AromaticContact CD1-CZ2 3.8Å; Y362-W409 HydrophobicContact CD1-CZ2 3.8Å; Y362-W409 HydrophobicContact CD1-CZ3 4.04Å; Y362-W409 AromaticContact CE1-CH2 3.92Å; Y362-W409 HydrophobicContact CE1-CH2 3.92Å; Y362-W409 AromaticContact CE1-CZ2 3.83Å; Y362-W409 HydrophobicContact CE1-CZ2 3.83Å; Y362-L411 HydrophobicContact CD1-CD1 3.55Å; Y362-L411 HydrophobicContact CE1-CD1 3.22Å; Y362-L411 HydrophobicContact CE1-CD2 3.92Å; Y362-L411 HydrophobicContact CE1-CG 4.21Å; Y362-I414 HydrophobicContact CD2-CD1 4.08Å; Y362-I414 HydrophobicContact CD2-CG2 4.33Å; Y362-I414 HydrophobicContact CE1-CD1 4.3Å; Y362-I414 HydrophobicContact CE2-CD1 3.84Å; Y362-I414 HydrophobicContact CE2-CG1 4.3Å; Y362-I414 HydrophobicContact CE2-CG2 3.69Å; Y362-I414 HydrophobicContact CG-CD1 4.41Å; Y362-N418 WeakPolarHBondContact CE2-O 3.3Å; Y362-N418 PolarHBondContact OH-O 2.66Å; Y362-Q420 WeakPolarHBondContact O-CA 3.39Å; Y362-Q420 PolarHBondContact OH-O 3.23Å; Y362-G421 WeakPolarHBondContact CD1-O 3.46Å; Y362-G421 VanDerWaalsContact CE1-CA 3.42Å; Y362-G421 PolarHBondContact N-O 3.37Å; Y362-G421 PolarHBondContact O-N 2.96Å
363T81Confident82.1Confident30 Ų3062 Ų6218%0.18429%0.286CS..EExtended strand (participates in β ladder)trans-139.2126170.1-59.60000110.1F343 L344 K419 Q420F343-T363 WeakPolarHBondContact CA-O 3.23Å; L344-T363 PolarHBondContact N-O 3.23Å; L344-T363 PolarHBondContact O-N 2.8Å; T363-K419 CarbonylContact C-O 3.53Å; T363-K419 WeakPolarHBondContact CA-O 2.99Å; T363-Q420 HydrophobicContact CG2-CG 4.11Å
364L83.7Confident83.3Confident3 Ų349.7 Ų49.72%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-90.299.4170.7-176.969.1000109.3F343 L369 L371 I414 K419F343-L364 HydrophobicContact CB-CD1 4.25Å; F343-L364 HydrophobicContact CD2-CB 4.34Å; F343-L364 HydrophobicContact CD2-CD1 4.17Å; L364-L369 HydrophobicContact CD1-CB 4.41Å; L364-L371 HydrophobicContact CD1-CD1 4Å; L364-L371 HydrophobicContact CD1-CG 4.26Å; L364-I414 HydrophobicContact CB-CG2 4.09Å; L364-I414 HydrophobicContact CD2-CG2 4.12Å; L364-K419 HydrophobicContact CB-CB 4.44Å; L364-K419 PolarHBondContact N-O 3.48Å
365D74.1Confident84.6Confident76 Ų7641.3 Ų41.341%0.40621%0.205SC..  trans-75.9-36177.7-79.1-16.3000111.8K341 I342 E367K341-D365 HydrophobicContact CB-CB 4.29Å; I342-D365 PolarHBondContact O-N 3.35Å; I342-D365 VanDerWaalsContact O-N 3.15Å; D365-E367 PolarHBondContact O-N 3.4Å
366N76.5Confident85.4Confident21 Ų2140.7 Ų40.711%0.11220%0.199CC..  trans-90.388.8-179.4-173.3-2.9000111.1I342 R368 L369I342-N366 PolarHBondContact O-N 3.47Å; N366-R368 PolarHBondContact O-N 3.14Å; N366-R368 WeakPolarHBondContact OD1-CB 3.37Å; N366-R368 PolarHBondContact OD1-N 3.48Å; N366-R368 PolarHBondContact OD1-NE 2.91Å; N366-L369 HydrophobicContact CB-CD1 3.98Å; N366-L369 HydrophobicContact CB-CG 4.24Å; N366-L369 PolarHBondContact O-N 3.37Å
367E80.5Confident86.1Confident112 Ų11241.8 Ų41.852%0.52321%0.206SC..THydrogen-bonded Turntrans-61.7-9.5-177.3-48.9-170.7179.100115.2D365 K419D365-E367 PolarHBondContact O-N 3.4Å; E367-K419 HydrophobicContact CG-CD 4.27Å; E367-K419 WeakPolarHBondContact OE1-CE 3.14Å; E367-K419 IonicContact OE1-NZ 3.72Å; E367-K419 PolarHBondContact OE1-NZ 3.1Å; E367-K419 WeakPolarHBondContact OE2-CE 3.08Å; E367-K419 IonicContact OE2-NZ 3.95Å; E367-K419 PolarHBondContact OE2-NZ 2.76Å
368R82.8Confident86.7Confident136 Ų13638 Ų3851%0.51319%0.185SC..THydrogen-bonded Turntrans-79.4-23174-60.3-179.2-63.4144.22112.3N366 I446N366-R368 PolarHBondContact O-N 3.14Å; N366-R368 WeakPolarHBondContact OD1-CB 3.37Å; N366-R368 PolarHBondContact OD1-N 3.48Å; N366-R368 PolarHBondContact OD1-NE 2.91Å; R368-I446 WeakPolarHBondContact O-CD1 3.34Å
369L84.2Confident87.3Confident1 Ų139.3 Ų39.31%0.00519%0.194CC..  trans-81.4146.9-178.5-64.7174.9000110.3I342 L364 N366 L371 I446 F448 L468I342-L369 HydrophobicContact CG2-CD1 3.59Å; L364-L369 HydrophobicContact CD1-CB 4.41Å; N366-L369 HydrophobicContact CB-CD1 3.98Å; N366-L369 HydrophobicContact CB-CG 4.24Å; N366-L369 PolarHBondContact O-N 3.37Å; L369-L371 HydrophobicContact CB-CD2 4.07Å; L369-I446 HydrophobicContact CD2-CB 4.29Å; L369-I446 HydrophobicContact CD2-CG2 4.07Å; L369-F448 HydrophobicContact CD1-CD2 4.09Å; L369-F448 HydrophobicContact CD1-CE2 4.46Å; L369-L468 HydrophobicContact CD2-CD2 4.09Å
370Q90.2Very high87.7Confident88 Ų8838.3 Ų38.341%0.41119%0.189SC..  trans-126105.6170.8-68.2-176.8-17.800106.4D415 S444 I446Q370-D415 HydrophobicContact CG-CB 3.92Å; Q370-S444 WeakPolarHBondContact O-CA 3.3Å; Q370-S444 WeakPolarHBondContact O-CB 3.27Å; Q370-S444 PolarHBondContact O-OG 3.11Å; Q370-S444 VanDerWaalsContact O-OG 3.13Å; Q370-I446 HydrophobicContact CB-CD1 4.19Å; Q370-I446 HydrophobicContact CG-CD1 3.92Å
371L92Very high87.8Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-90.3122.8-176.8-48.6-175.5000108.9F343 L364 L369 V374 L413 I414 F442 T443F343-L371 HydrophobicContact CB-CD1 3.82Å; F343-L371 HydrophobicContact CD1-CD1 4.22Å; F343-L371 HydrophobicContact CD2-CD1 3.61Å; F343-L371 HydrophobicContact CE2-CD1 4.18Å; F343-L371 HydrophobicContact CG-CD1 3.62Å; L364-L371 HydrophobicContact CD1-CD1 4Å; L364-L371 HydrophobicContact CD1-CG 4.26Å; L369-L371 HydrophobicContact CB-CD2 4.07Å; L371-V374 HydrophobicContact CB-CG2 3.47Å; L371-V374 VanDerWaalsContact CB-CG2 3.47Å; L371-V374 HydrophobicContact CD1-CG2 4.43Å; L371-L413 CarbonylContact O-C 3.5Å; L371-L413 VanDerWaalsContact O-CA 3.31Å; L371-L413 WeakPolarHBondContact O-CA 3.42Å; L371-I414 HydrophobicContact CB-CB 4.29Å; L371-I414 PolarHBondContact N-O 3.08Å; L371-I414 PolarHBondContact O-N 2.87Å; L371-F442 HydrophobicContact CB-CB 4.4Å; L371-F442 HydrophobicContact CD1-CD1 4.32Å; L371-F442 HydrophobicContact CD1-CD2 4.44Å; L371-F442 HydrophobicContact CD1-CG 4.29Å; L371-F442 HydrophobicContact CD2-CD2 3.74Å; L371-F442 HydrophobicContact CD2-CE2 3.79Å; L371-F442 HydrophobicContact CD2-CG 4.36Å; L371-F442 HydrophobicContact CD2-CZ 4.44Å; L371-F442 HydrophobicContact CG-CD2 4.46Å; L371-T443 CarbonylContact C-O 3.43Å; L371-T443 WeakPolarHBondContact CA-O 3.47Å
372E93.3Very high87.6Confident49 Ų4943.9 Ų43.923%0.22921%0.209CC..EExtended strand (participates in β ladder)trans-105.9143.6178.2-62.6-179.9-176.600109.7V374 L413 T443 K445E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.08Å; E372-L413 HydrophobicContact CG-CD1 4.24Å; E372-T443 PolarHBondContact N-O 2.91Å; E372-T443 PolarHBondContact O-N 2.81Å; E372-T443 PolarHBondContact O-OG1 2.83Å; E372-K445 VanDerWaalsContact CD-NZ 3.28Å; E372-K445 IonicContact OE1-NZ 3.63Å; E372-K445 PolarHBondContact OE1-NZ 3.18Å; E372-K445 IonicContact OE2-NZ 2.8Å; E372-K445 PolarHBondContact OE2-NZ 3.02Å
373D92.5Very high86.6Confident121 Ų12145 Ų4565%0.64722%0.218SC*.EExtended strand (participates in β ladder)trans54.245.9177.1-61.9-42.8000112.9C375 P412D373-C375 PolarHBondContact O-N 3.25Å; D373-P412 PolarHBondContact N-O 3.01Å
374V93.6Very high85.6Confident1 Ų152 Ų521%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-70.9126.2-179.9-174.30000109.3F343 L371 E372 I376 R410 L411 I414 Q441 F442F343-V374 HydrophobicContact CE1-CG1 4.16Å; F343-V374 HydrophobicContact CZ-CG1 4.05Å; L371-V374 HydrophobicContact CB-CG2 3.47Å; L371-V374 VanDerWaalsContact CB-CG2 3.47Å; L371-V374 HydrophobicContact CD1-CG2 4.43Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.08Å; V374-I376 HydrophobicContact CG1-CG1 4.48Å; V374-R410 CarbonylContact O-C 3.54Å; V374-R410 WeakPolarHBondContact O-CA 3.44Å; V374-L411 HydrophobicContact CB-CB 4.17Å; V374-L411 PolarHBondContact N-O 2.85Å; V374-L411 PolarHBondContact O-N 2.77Å; V374-I414 HydrophobicContact CB-CD1 3.96Å; V374-I414 HydrophobicContact CB-CG1 4.47Å; V374-I414 HydrophobicContact CG1-CD1 3.89Å; V374-I414 HydrophobicContact CG2-CD1 3.72Å; V374-I414 HydrophobicContact CG2-CG1 3.95Å; V374-Q441 CarbonylContact C-O 3.51Å; V374-Q441 VanDerWaalsContact CA-O 3.29Å; V374-Q441 WeakPolarHBondContact CA-O 3.47Å; V374-F442 HydrophobicContact CB-CB 4.29Å; V374-F442 HydrophobicContact CG1-CB 4.36Å; V374-F442 HydrophobicContact CG2-CB 3.79Å
375C95.6Very high84.5Confident17 Ų1759.3 Ų59.312%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-131110.1178.5-172.50000110.1D373 W409 Q441D373-C375 PolarHBondContact O-N 3.25Å; C375-W409 CarbonylContact C-O 3.58Å; C375-W409 VanDerWaalsContact CA-O 3.28Å; C375-W409 WeakPolarHBondContact CA-O 3.35Å; C375-Q441 PolarHBondContact N-O 3.17Å; C375-Q441 PolarHBondContact O-N 2.95Å
376I94.3Very high83.8Confident0 Ų056.9 Ų56.90%028%0.276CS..EExtended strand (participates in β ladder)trans-96.9116.6173.5-59.3163.9000107.4F343 V345 V374 V378 W409 I438 T439 V440F343-I376 HydrophobicContact CE1-CD1 4.48Å; F343-I376 HydrophobicContact CZ-CD1 4.32Å; V345-I376 HydrophobicContact CG1-CD1 4.2Å; V345-I376 HydrophobicContact CG1-CG2 4.21Å; V345-I376 HydrophobicContact CG2-CD1 3.69Å; V345-I376 HydrophobicContact CG2-CG1 4.22Å; V374-I376 HydrophobicContact CG1-CG1 4.48Å; I376-V378 HydrophobicContact CG2-CG2 4.35Å; I376-W409 HydrophobicContact CB-CB 4.22Å; I376-W409 HydrophobicContact CB-CE3 4.15Å; I376-W409 HydrophobicContact CD1-CD2 4.23Å; I376-W409 HydrophobicContact CD1-CE3 3.47Å; I376-W409 VanDerWaalsContact CD1-CE3 3.47Å; I376-W409 HydrophobicContact CD1-CZ3 3.73Å; I376-W409 HydrophobicContact CG1-CE3 4.38Å; I376-W409 HydrophobicContact CG2-CE3 4.39Å; I376-W409 PolarHBondContact N-O 2.86Å; I376-W409 PolarHBondContact O-N 2.78Å; I376-I438 HydrophobicContact CG2-CG2 3.57Å; I376-T439 CarbonylContact C-O 3.52Å; I376-T439 WeakPolarHBondContact CA-O 2.97Å; I376-V440 HydrophobicContact CG1-CG1 4.15Å; I376-V440 HydrophobicContact CG1-CG2 4.19Å; I376-V440 HydrophobicContact CG2-CG2 4.44Å
377T96.3Very high83.6Confident22 Ų2259.2 Ų59.214%0.13529%0.29CS..EExtended strand (participates in β ladder)trans-109.2119.5-178.2-54.20000110.3C406 L407 R408 I438 T439T377-C406 HydrophobicContact CG2-CB 3.89Å; T377-L407 WeakPolarHBondContact CA-O 3.18Å; T377-R408 HydrophobicContact CG2-CG 4.05Å; T377-I438 WeakPolarHBondContact O-CA 3.26Å; T377-T439 WeakPolarHBondContact CB-OG1 2.91Å; T377-T439 PolarHBondContact N-O 3.5Å; T377-T439 PolarHBondContact O-N 3.47Å
378V93.5Very high83.8Confident0 Ų056.5 Ų56.50%029%0.287CS..EExtended strand (participates in β ladder)trans-109118.4-175.7-175.30000108.2I360 I376 C406 L407 F425 F435 I438I360-V378 HydrophobicContact CD1-CB 4.29Å; I360-V378 HydrophobicContact CD1-CG1 4.09Å; I360-V378 HydrophobicContact CD1-CG2 3.28Å; I376-V378 HydrophobicContact CG2-CG2 4.35Å; V378-C406 CarbonylContact O-C 3.48Å; V378-C406 VanDerWaalsContact O-CA 3.23Å; V378-C406 WeakPolarHBondContact O-CA 3.4Å; V378-C406 VanDerWaalsContact O-CB 3.3Å; V378-C406 WeakPolarHBondContact O-CB 3.4Å; V378-L407 HydrophobicContact CB-CB 4.5Å; V378-L407 PolarHBondContact N-O 2.98Å; V378-L407 PolarHBondContact O-N 2.84Å; V378-F425 HydrophobicContact CG1-CZ 4.05Å; V378-F435 HydrophobicContact CG1-CB 4.17Å; V378-F435 HydrophobicContact CG1-CD1 4.19Å; V378-I438 HydrophobicContact CG2-CG2 4.26Å
379P93.8Very high84.1Confident32 Ų3250.7 Ų50.721%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-65.2146.5173.227.1-31.7000109.9F435 P437P379-F435 WeakPolarHBondContact CD-O 3.29Å; P379-F435 WeakPolarHBondContact O-CA 3.46Å; P379-F435 WeakPolarHBondContact O-CD1 3.45Å; P379-P437 VanDerWaalsContact CD-O 3.22Å; P379-P437 WeakPolarHBondContact CD-O 3.18Å; P379-P437 WeakPolarHBondContact CG-O 3.41Å
380L91.4Very high84.3Confident17 Ų1755.6 Ų55.69%0.08930%0.297CS..  trans-116.5149.8178.9-63.3173.5000109.7Y382 P389 Y400 Q405 L407 F425 T427 F435L380-Y382 PolarHBondContact O-N 3.41Å; L380-P389 HydrophobicContact CD1-CG 3.95Å; L380-Y400 HydrophobicContact CD1-CD2 3.67Å; L380-Y400 HydrophobicContact CD1-CE2 3.57Å; L380-Q405 WeakPolarHBondContact CA-O 3.48Å; L380-Q405 WeakPolarHBondContact CB-O 3.34Å; L380-Q405 PolarHBondContact N-O 3.41Å; L380-L407 HydrophobicContact CD1-CB 4.11Å; L380-L407 HydrophobicContact CD2-CB 4.39Å; L380-L407 HydrophobicContact CG-CB 4.36Å; L380-F425 HydrophobicContact CD2-CD2 4.49Å; L380-F425 HydrophobicContact CD2-CE2 3.58Å; L380-F425 HydrophobicContact CD2-CZ 4.04Å; L380-T427 HydrophobicContact CD2-CG2 4.02Å; L380-F435 HydrophobicContact CD2-CD1 4.17Å; L380-F435 HydrophobicContact CD2-CE1 3.9Å
381P84.9Confident84.3Confident11 Ų1153.1 Ų53.17%0.07129%0.286CS..  trans-60.8134.8176.321.3-30.1000111.2C383 T427 S429 N434 F435P381-C383 PolarHBondContact O-N 2.83Å; P381-T427 HydrophobicContact CG-CG2 4.42Å; P381-S429 WeakPolarHBondContact CG-O 3.47Å; P381-N434 HydrophobicContact CB-CB 3.83Å; P381-N434 HydrophobicContact CG-CB 4.36Å; P381-F435 HydrophobicContact CG-CE1 4.44Å; P381-F435 HydrophobicContact CG-CZ 4.28Å
382Y79.4Confident84.1Confident180 Ų18056.8 Ų56.871%0.70632%0.316SS*.  trans-66118.5173.3-176-93.2000110.1L380 Q384 Q405L380-Y382 PolarHBondContact O-N 3.41Å; Y382-Q384 HydrophobicContact CE1-CG 3.94Å; Y382-Q405 HydrophobicContact CD2-CG 4.3Å
383C64.9Low83.6Confident29 Ų2959.5 Ų59.520%0.19633%0.329CS..  trans-120.5124.5173.4-176.70000109.8P381 L385 S386P381-C383 PolarHBondContact O-N 2.83Å; C383-L385 PolarHBondContact O-N 2.77Å; C383-S386 WeakPolarHBondContact O-CA 3.32Å; C383-S386 PolarHBondContact O-N 2.76Å
384Q59.9Low83.5Confident177 Ų17755.4 Ų55.483%0.82731%0.309SS*.THydrogen-bonded Turntrans-59.6-27.1178.4-75.2-179.9-17.400112.9Y382 S386Y382-Q384 HydrophobicContact CE1-CG 3.94Å; Q384-S386 VanDerWaalsContact C-N 3.33Å
385L61.8Low83Confident156 Ų15658.5 Ų58.582%0.81733%0.326SS*.THydrogen-bonded Turntrans-88.51.6176.3-76.7151000113.3C383 T387C383-L385 PolarHBondContact O-N 2.77Å; L385-T387 PolarHBondContact O-N 3Å
386S57.7Low82.7Confident25 Ų2560.2 Ų60.218%0.17535%0.347CS..  trans41.655.7172-174.10000114.5C383 Q384 R402C383-S386 WeakPolarHBondContact O-CA 3.32Å; C383-S386 PolarHBondContact O-N 2.76Å; Q384-S386 VanDerWaalsContact C-N 3.33Å; S386-R402 VanDerWaalsContact CB-NH2 3.35Å; S386-R402 VanDerWaalsContact OG-CZ 3.29Å; S386-R402 PolarHBondContact OG-NE 2.74Å; S386-R402 PolarHBondContact OG-NH2 3.1Å
387T73.9Confident82.6Confident69 Ų6966.3 Ų66.342%0.42338%0.375SS..PPolyproline II helixtrans-79121170.948.50000109.6L385L385-T387 PolarHBondContact O-N 3Å
388A84.6Confident82.4Confident55 Ų5571.2 Ų71.246%0.45539%0.392SS..PPolyproline II helixtrans-59149.3170.400000110.4Y400A388-Y400 HydrophobicContact CB-CD1 3.83Å; A388-Y400 HydrophobicContact CB-CE1 3.85Å
389P88.7Confident82.4Confident15 Ų1575.5 Ų75.510%0.09741%0.412CS..PPolyproline II helixtrans-62.5144.9172.628.6-35.1000110.3L380 I391 Y400 L407 F425 T426 T427L380-P389 HydrophobicContact CD1-CG 3.95Å; P389-I391 HydrophobicContact CB-CD1 4.37Å; P389-I391 HydrophobicContact CG-CD1 4.29Å; P389-Y400 HydrophobicContact CG-CD2 4.31Å; P389-L407 HydrophobicContact CG-CD1 4.28Å; P389-F425 HydrophobicContact CB-CB 4.43Å; P389-F425 HydrophobicContact CB-CD2 3.76Å; P389-F425 HydrophobicContact CB-CE2 4.49Å; P389-F425 HydrophobicContact CB-CG 4.41Å; P389-T426 WeakPolarHBondContact CA-O 3.21Å; P389-T427 HydrophobicContact CB-CG2 4.37Å
390V89Confident82.3Confident103 Ų10376.6 Ų76.662%0.62441%0.413SS*.EExtended strand (participates in β ladder)trans-91.4110.9173.5-179.20000107.4F425 T426V390-F425 CarbonylContact O-C 3.52Å; V390-F425 VanDerWaalsContact O-CA 3.22Å; V390-F425 WeakPolarHBondContact O-CA 3.3Å; V390-F425 WeakPolarHBondContact O-CB 3.39Å; V390-T426 PolarHBondContact N-O 2.68Å; V390-T426 PolarHBondContact O-N 2.8Å
391I90.5Very high82.2Confident36 Ų3677.1 Ų77.119%0.18542%0.415CS..EExtended strand (participates in β ladder)trans-81126.7178.8-49.2-53.3000108.9P389 C394 Y398 L407 L423 F425P389-I391 HydrophobicContact CB-CD1 4.37Å; P389-I391 HydrophobicContact CG-CD1 4.29Å; I391-C394 HydrophobicContact CG2-CB 3.92Å; I391-Y398 HydrophobicContact CB-CE1 4.31Å; I391-Y398 HydrophobicContact CD1-CD2 4.27Å; I391-Y398 HydrophobicContact CD1-CE2 4.38Å; I391-Y398 HydrophobicContact CG1-CD1 4.27Å; I391-Y398 HydrophobicContact CG1-CD2 3.85Å; I391-Y398 HydrophobicContact CG1-CE1 4Å; I391-Y398 HydrophobicContact CG1-CE2 3.55Å; I391-Y398 HydrophobicContact CG1-CG 4.21Å; I391-Y398 HydrophobicContact CG2-CD1 4.33Å; I391-Y398 HydrophobicContact CG2-CE1 4.2Å; I391-L407 HydrophobicContact CD1-CD1 4.21Å; I391-L407 HydrophobicContact CD1-CD2 3.81Å; I391-L423 HydrophobicContact CG2-CD1 3.96Å; I391-F425 HydrophobicContact CD1-CB 3.5Å; I391-F425 HydrophobicContact CD1-CG 4.27Å
392A86.3Confident82.3Confident77 Ų7784.4 Ų84.464%0.63644%0.441SS*.EExtended strand (participates in β ladder)trans-93.6-47.2176.800000111.3E424A392-E424 HydrophobicContact CB-CB 4.12Å; A392-E424 PolarHBondContact N-O 3.36Å
393E84.4Confident82.6Confident106 Ų10680 Ų8050%0.49544%0.443SS..EExtended strand (participates in β ladder)trans-144144.2-179.7-174.6165.1-175.100109.5L423 E424E393-L423 WeakPolarHBondContact O-CA 3.48Å; E393-L423 WeakPolarHBondContact O-CD1 3.42Å; E393-E424 HydrophobicContact CB-CB 4.18Å; E393-E424 HydrophobicContact CB-CG 4.3Å; E393-E424 PolarHBondContact N-O 2.73Å; E393-E424 PolarHBondContact O-N 3.41Å
394C88.8Confident83.7Confident35 Ų3585.1 Ų85.124%0.23646%0.463CS..EExtended strand (participates in β ladder)trans-156.4116.7178.4178.10000110.6I391 Y398 L423I391-C394 HydrophobicContact CG2-CB 3.92Å; C394-Y398 HydrophobicContact CB-CD1 4.18Å; C394-L423 HydrophobicContact CB-CD1 3.68Å
395D84.2Confident85.2Confident67 Ų6778.2 Ų78.236%0.35843%0.431SS..SBendtrans-77.5123165.2-72.4-44.3000110.1W409 L411 G421 A422D395-W409 HydrophobicContact CB-CZ2 4.39Å; D395-W409 PolarHBondContact O-NE1 3.23Å; D395-L411 VanDerWaalsContact O-CD2 3.29Å; D395-L411 WeakPolarHBondContact O-CD2 3.45Å; D395-G421 WeakPolarHBondContact OD2-CA 3.33Å; D395-A422 PolarHBondContact N-O 3.26Å; D395-A422 PolarHBondContact OD2-N 2.57Å
396G88.1Confident86.7Confident53 Ų5371.3 Ų71.355%0.54640%0.395SS..SBendtrans88.5-142.8-177.600000113.4
397E92.6Very high88.4Confident127 Ų12770.1 Ų70.159%0.59339%0.387SS*.EExtended strand (participates in β ladder)trans-117.9146.6-175.9-65.9-179.4-176.100111.1R410E397-R410 HydrophobicContact CB-CB 4.37Å; E397-R410 PolarHBondContact N-O 2.78Å; E397-R410 PolarHBondContact O-N 3.2Å
398Y93.1Very high89.4Confident125 Ų12570.4 Ų70.449%0.4938%0.381SS..EExtended strand (participates in β ladder)trans-124.8151.1172.171-89.1000111.4I391 C394 L407 R408I391-Y398 HydrophobicContact CB-CE1 4.31Å; I391-Y398 HydrophobicContact CD1-CD2 4.27Å; I391-Y398 HydrophobicContact CD1-CE2 4.38Å; I391-Y398 HydrophobicContact CG1-CD1 4.27Å; I391-Y398 HydrophobicContact CG1-CD2 3.85Å; I391-Y398 HydrophobicContact CG1-CE1 4Å; I391-Y398 HydrophobicContact CG1-CE2 3.55Å; I391-Y398 HydrophobicContact CG1-CG 4.21Å; I391-Y398 HydrophobicContact CG2-CD1 4.33Å; I391-Y398 HydrophobicContact CG2-CE1 4.2Å; C394-Y398 HydrophobicContact CB-CD1 4.18Å; Y398-L407 HydrophobicContact CD2-CD1 4.02Å; Y398-R408 CarbonylContact C-O 3.5Å; Y398-R408 WeakPolarHBondContact CA-O 3.33Å
399Q92.9Very high90Very high91 Ų9167.9 Ų67.943%0.42536%0.359SS..EExtended strand (participates in β ladder)trans-137118.2175.6-175.5-177.819.800109.6R408Q399-R408 HydrophobicContact CB-CB 4.4Å; Q399-R408 PolarHBondContact N-O 2.77Å; Q399-R408 PolarHBondContact O-N 2.92Å
400Y91.5Very high90.3Very high55 Ų5572.2 Ų72.222%0.21637%0.374CS..EExtended strand (participates in β ladder)trans-82.4116.9170.5172.7-124.8000110.3L380 A388 P389 R402 Q405L380-Y400 HydrophobicContact CD1-CD2 3.67Å; L380-Y400 HydrophobicContact CD1-CE2 3.57Å; A388-Y400 HydrophobicContact CB-CD1 3.83Å; A388-Y400 HydrophobicContact CB-CE1 3.85Å; P389-Y400 HydrophobicContact CG-CD2 4.31Å; Y400-R402 HydrophobicContact CD1-CB 4.47Å; Y400-R402 HydrophobicContact CE1-CB 3.8Å; Y400-R402 HydrophobicContact CE1-CG 4.18Å; Y400-Q405 PolarHBondContact OH-NE2 3.5Å; Y400-Q405 PolarHBondContact OH-OE1 2.84Å
401D89.1Confident90.5Very high27 Ų2767.7 Ų67.714%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-97.895.9174.7-173.8-19.7000109.4A403 H404 Q405 C406 R408D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.88Å; D401-A403 PolarHBondContact OD1-N 2.65Å; D401-A403 VanDerWaalsContact OD1-N 3.12Å; D401-H404 VanDerWaalsContact CG-ND1 3.27Å; D401-H404 PolarHBondContact O-N 2.65Å; D401-H404 IonicContact OD1-CG 2.76Å; D401-H404 PolarHBondContact OD1-N 3.19Å; D401-H404 IonicContact OD1-ND1 2.77Å; D401-H404 PolarHBondContact OD1-ND1 2.81Å; D401-H404 VanDerWaalsContact OD1-ND1 3.16Å; D401-H404 IonicContact OD2-CE1 3.91Å; D401-H404 IonicContact OD2-CG 3.21Å; D401-H404 IonicContact OD2-ND1 3.97Å; D401-H404 PolarHBondContact OD2-ND1 2.85Å; D401-Q405 WeakPolarHBondContact O-CA 3.46Å; D401-Q405 PolarHBondContact O-N 2.9Å; D401-C406 PolarHBondContact N-O 2.83Å; D401-C406 PolarHBondContact O-N 3.46Å; D401-C406 VanDerWaalsContact O-N 3.14Å; D401-R408 IonicContact OD2-CZ 3.74Å; D401-R408 IonicContact OD2-NE 3.41Å; D401-R408 IonicContact OD2-NH2 3.13Å; D401-R408 PolarHBondContact OD2-NH2 2.76Å
402R86.6Confident90.5Very high164 Ų16469.9 Ų69.962%0.61936%0.362SS*.THydrogen-bonded Turntrans-63.7-31.1-179.7-173.2-179.9-178.1-178.62.1112.9S386 Y400 Q405S386-R402 VanDerWaalsContact CB-NH2 3.35Å; S386-R402 VanDerWaalsContact OG-CZ 3.29Å; S386-R402 PolarHBondContact OG-NE 2.74Å; S386-R402 PolarHBondContact OG-NH2 3.1Å; Y400-R402 HydrophobicContact CD1-CB 4.47Å; Y400-R402 HydrophobicContact CE1-CB 3.8Å; Y400-R402 HydrophobicContact CE1-CG 4.18Å; R402-Q405 PolarHBondContact O-NE2 2.96Å
403A86.6Confident90.8Very high89 Ų8969.6 Ų69.674%0.73635%0.35SS*.THydrogen-bonded Turntrans-71.3-40.1-176.600000111.2D401D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.88Å; D401-A403 PolarHBondContact OD1-N 2.65Å; D401-A403 VanDerWaalsContact OD1-N 3.12Å
404H88.5Confident91.1Very high136 Ų13664.6 Ų64.663%0.6333%0.327SS*.THydrogen-bonded Turntrans-94.7-2.4178.8-58.293.6000113.6D401 C406D401-H404 VanDerWaalsContact CG-ND1 3.27Å; D401-H404 PolarHBondContact O-N 2.65Å; D401-H404 IonicContact OD1-CG 2.76Å; D401-H404 PolarHBondContact OD1-N 3.19Å; D401-H404 IonicContact OD1-ND1 2.77Å; D401-H404 PolarHBondContact OD1-ND1 2.81Å; D401-H404 VanDerWaalsContact OD1-ND1 3.16Å; D401-H404 IonicContact OD2-CE1 3.91Å; D401-H404 IonicContact OD2-CG 3.21Å; D401-H404 IonicContact OD2-ND1 3.97Å; D401-H404 PolarHBondContact OD2-ND1 2.85Å; H404-C406 PolarHBondContact O-N 2.88Å
405Q90.1Very high91.2Very high31 Ų3164 Ų6415%0.14532%0.321CS..THydrogen-bonded Turntrans50.255.4-174.7-65-67.7-50.400111.4L380 Y382 Y400 D401 R402L380-Q405 WeakPolarHBondContact CA-O 3.48Å; L380-Q405 WeakPolarHBondContact CB-O 3.34Å; L380-Q405 PolarHBondContact N-O 3.41Å; Y382-Q405 HydrophobicContact CD2-CG 4.3Å; Y400-Q405 PolarHBondContact OH-NE2 3.5Å; Y400-Q405 PolarHBondContact OH-OE1 2.84Å; D401-Q405 WeakPolarHBondContact O-CA 3.46Å; D401-Q405 PolarHBondContact O-N 2.9Å; R402-Q405 PolarHBondContact O-NE2 2.96Å
406C93Very high91.4Very high11 Ų1164 Ų647%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-139.3155.2177.267.60000112.2T377 V378 D401 H404T377-C406 HydrophobicContact CG2-CB 3.89Å; V378-C406 CarbonylContact O-C 3.48Å; V378-C406 VanDerWaalsContact O-CA 3.23Å; V378-C406 WeakPolarHBondContact O-CA 3.4Å; V378-C406 VanDerWaalsContact O-CB 3.3Å; V378-C406 WeakPolarHBondContact O-CB 3.4Å; D401-C406 PolarHBondContact N-O 2.83Å; D401-C406 PolarHBondContact O-N 3.46Å; D401-C406 VanDerWaalsContact O-N 3.14Å; H404-C406 PolarHBondContact O-N 2.88Å
407L94.2Very high91.4Very high1 Ų166.3 Ų66.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-103.7121.9171.3-173.962.6000108.3T377 V378 L380 P389 I391 Y398 L423 F425T377-L407 WeakPolarHBondContact CA-O 3.18Å; V378-L407 HydrophobicContact CB-CB 4.5Å; V378-L407 PolarHBondContact N-O 2.98Å; V378-L407 PolarHBondContact O-N 2.84Å; L380-L407 HydrophobicContact CD1-CB 4.11Å; L380-L407 HydrophobicContact CD2-CB 4.39Å; L380-L407 HydrophobicContact CG-CB 4.36Å; P389-L407 HydrophobicContact CG-CD1 4.28Å; I391-L407 HydrophobicContact CD1-CD1 4.21Å; I391-L407 HydrophobicContact CD1-CD2 3.81Å; Y398-L407 HydrophobicContact CD2-CD1 4.02Å; L407-L423 HydrophobicContact CD2-CD2 3.94Å; L407-F425 HydrophobicContact CD2-CD1 3.62Å; L407-F425 HydrophobicContact CD2-CD2 4.29Å; L407-F425 HydrophobicContact CD2-CE1 3.78Å; L407-F425 HydrophobicContact CD2-CE2 4.43Å; L407-F425 HydrophobicContact CD2-CG 3.9Å; L407-F425 HydrophobicContact CD2-CZ 4.18Å
408R95.6Very high91.3Very high75 Ų7562.8 Ų62.828%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-101.8115.8175.7-58.4-174.4-164.9-152.16.8109.1T377 Y398 Q399 D401T377-R408 HydrophobicContact CG2-CG 4.05Å; Y398-R408 CarbonylContact C-O 3.5Å; Y398-R408 WeakPolarHBondContact CA-O 3.33Å; Q399-R408 HydrophobicContact CB-CB 4.4Å; Q399-R408 PolarHBondContact N-O 2.77Å; Q399-R408 PolarHBondContact O-N 2.92Å; D401-R408 IonicContact OD2-CZ 3.74Å; D401-R408 IonicContact OD2-NE 3.41Å; D401-R408 IonicContact OD2-NH2 3.13Å; D401-R408 PolarHBondContact OD2-NH2 2.76Å
409W95.7Very high90.9Very high1 Ų159.8 Ų59.80%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-97.1117.6174.9-177.722.4000109.7I360 Y362 C375 I376 D395 L411 A422 L423I360-W409 HydrophobicContact CB-CZ3 4.23Å; I360-W409 HydrophobicContact CG2-CE3 4.21Å; I360-W409 HydrophobicContact CG2-CZ3 3.82Å; Y362-W409 AromaticContact CD1-CH2 3.41Å; Y362-W409 HydrophobicContact CD1-CH2 3.41Å; Y362-W409 VanDerWaalsContact CD1-CH2 3.41Å; Y362-W409 AromaticContact CD1-CZ2 3.8Å; Y362-W409 HydrophobicContact CD1-CZ2 3.8Å; Y362-W409 HydrophobicContact CD1-CZ3 4.04Å; Y362-W409 AromaticContact CE1-CH2 3.92Å; Y362-W409 HydrophobicContact CE1-CH2 3.92Å; Y362-W409 AromaticContact CE1-CZ2 3.83Å; Y362-W409 HydrophobicContact CE1-CZ2 3.83Å; C375-W409 CarbonylContact C-O 3.58Å; C375-W409 VanDerWaalsContact CA-O 3.28Å; C375-W409 WeakPolarHBondContact CA-O 3.35Å; I376-W409 HydrophobicContact CB-CB 4.22Å; I376-W409 HydrophobicContact CB-CE3 4.15Å; I376-W409 HydrophobicContact CD1-CD2 4.23Å; I376-W409 HydrophobicContact CD1-CE3 3.47Å; I376-W409 VanDerWaalsContact CD1-CE3 3.47Å; I376-W409 HydrophobicContact CD1-CZ3 3.73Å; I376-W409 HydrophobicContact CG1-CE3 4.38Å; I376-W409 HydrophobicContact CG2-CE3 4.39Å; I376-W409 PolarHBondContact N-O 2.86Å; I376-W409 PolarHBondContact O-N 2.78Å; D395-W409 HydrophobicContact CB-CZ2 4.39Å; D395-W409 PolarHBondContact O-NE1 3.23Å; W409-L411 HydrophobicContact CD2-CD1 4.36Å; W409-L411 HydrophobicContact CZ2-CD1 4.05Å; W409-L411 HydrophobicContact CZ2-CD2 4.49Å; W409-A422 VanDerWaalsContact CH2-C 3.47Å; W409-A422 VanDerWaalsContact CZ2-C 3.47Å; W409-A422 WeakPolarHBondContact CZ2-O 3.47Å; W409-L423 HydrophobicContact CB-CD2 3.67Å; W409-L423 HydrophobicContact CD2-CB 3.76Å; W409-L423 HydrophobicContact CD2-CD2 3.86Å; W409-L423 HydrophobicContact CD2-CG 4.46Å; W409-L423 HydrophobicContact CE3-CB 3.84Å; W409-L423 HydrophobicContact CE3-CD2 4.11Å; W409-L423 HydrophobicContact CG-CB 4.34Å; W409-L423 HydrophobicContact CG-CD2 3.68Å; W409-L423 HydrophobicContact CH2-CB 3.98Å; W409-L423 HydrophobicContact CZ2-CB 3.93Å; W409-L423 HydrophobicContact CZ3-CB 3.96Å
410R95Very high90.4Very high106 Ų10662.2 Ų62.240%0.432%0.32SS..EExtended strand (participates in β ladder)trans-114.7126.2-172.7-64.6-174.1-177.3-159.95.3110.9V374 E397V374-R410 CarbonylContact O-C 3.54Å; V374-R410 WeakPolarHBondContact O-CA 3.44Å; E397-R410 HydrophobicContact CB-CB 4.37Å; E397-R410 PolarHBondContact N-O 2.78Å; E397-R410 PolarHBondContact O-N 3.2Å
411L92.9Very high90Very high8 Ų860 Ų604%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-124.4108.7177.3-65.7152.5000107.2Y362 V374 D395 W409 L413 I414Y362-L411 HydrophobicContact CD1-CD1 3.55Å; Y362-L411 HydrophobicContact CE1-CD1 3.22Å; Y362-L411 HydrophobicContact CE1-CD2 3.92Å; Y362-L411 HydrophobicContact CE1-CG 4.21Å; V374-L411 HydrophobicContact CB-CB 4.17Å; V374-L411 PolarHBondContact N-O 2.85Å; V374-L411 PolarHBondContact O-N 2.77Å; D395-L411 VanDerWaalsContact O-CD2 3.29Å; D395-L411 WeakPolarHBondContact O-CD2 3.45Å; W409-L411 HydrophobicContact CD2-CD1 4.36Å; W409-L411 HydrophobicContact CZ2-CD1 4.05Å; W409-L411 HydrophobicContact CZ2-CD2 4.49Å; L411-L413 VanDerWaalsContact C-N 3.25Å; L411-L413 PolarHBondContact O-N 2.76Å; L411-I414 HydrophobicContact CB-CD1 4.05Å; L411-I414 HydrophobicContact CB-CG1 3.99Å; L411-I414 HydrophobicContact CD1-CD1 3.66Å; L411-I414 HydrophobicContact CD1-CG1 4.35Å; L411-I414 HydrophobicContact CG-CD1 4.46Å
412P92.1Very high89.8Confident82 Ų8259.5 Ų59.553%0.53231%0.314SS..EExtended strand (participates in β ladder)trans-59.4-35.2-175-27.335.1000113.8D373D373-P412 PolarHBondContact N-O 3.01Å
413L92.1Very high89.8Confident72 Ų7251.7 Ų51.738%0.37728%0.284SS..EExtended strand (participates in β ladder)trans-148.8132.7-179-17966.8000110.1L371 E372 L411 N418L371-L413 CarbonylContact O-C 3.5Å; L371-L413 VanDerWaalsContact O-CA 3.31Å; L371-L413 WeakPolarHBondContact O-CA 3.42Å; E372-L413 HydrophobicContact CG-CD1 4.24Å; L411-L413 VanDerWaalsContact C-N 3.25Å; L411-L413 PolarHBondContact O-N 2.76Å; L413-N418 PolarHBondContact O-ND2 3.32Å
414I91.4Very high89.9Confident0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-125.8119.1168.3-52.8178.5000108.2F343 Y362 L364 L371 V374 L411 N418F343-I414 HydrophobicContact CE2-CD1 3.47Å; F343-I414 VanDerWaalsContact CE2-CD1 3.47Å; F343-I414 HydrophobicContact CE2-CG2 4.37Å; F343-I414 HydrophobicContact CZ-CD1 3.66Å; Y362-I414 HydrophobicContact CD2-CD1 4.08Å; Y362-I414 HydrophobicContact CD2-CG2 4.33Å; Y362-I414 HydrophobicContact CE1-CD1 4.3Å; Y362-I414 HydrophobicContact CE2-CD1 3.84Å; Y362-I414 HydrophobicContact CE2-CG1 4.3Å; Y362-I414 HydrophobicContact CE2-CG2 3.69Å; Y362-I414 HydrophobicContact CG-CD1 4.41Å; L364-I414 HydrophobicContact CB-CG2 4.09Å; L364-I414 HydrophobicContact CD2-CG2 4.12Å; L371-I414 HydrophobicContact CB-CB 4.29Å; L371-I414 PolarHBondContact N-O 3.08Å; L371-I414 PolarHBondContact O-N 2.87Å; V374-I414 HydrophobicContact CB-CD1 3.96Å; V374-I414 HydrophobicContact CB-CG1 4.47Å; V374-I414 HydrophobicContact CG1-CD1 3.89Å; V374-I414 HydrophobicContact CG2-CD1 3.72Å; V374-I414 HydrophobicContact CG2-CG1 3.95Å; L411-I414 HydrophobicContact CB-CD1 4.05Å; L411-I414 HydrophobicContact CB-CG1 3.99Å; L411-I414 HydrophobicContact CD1-CD1 3.66Å; L411-I414 HydrophobicContact CD1-CG1 4.35Å; L411-I414 HydrophobicContact CG-CD1 4.46Å; I414-N418 WeakPolarHBondContact CA-OD1 3.41Å
415D89.6Confident90Very high24 Ų2444.3 Ų44.313%0.12824%0.235CC..SBendtrans-141.2-164178.870.615.4000111.8Q370 S417 N418 K419Q370-D415 HydrophobicContact CG-CB 3.92Å; D415-S417 PolarHBondContact O-N 3.29Å; D415-S417 WeakPolarHBondContact OD1-CA 3.47Å; D415-S417 VanDerWaalsContact OD1-CB 3.26Å; D415-S417 WeakPolarHBondContact OD1-CB 3.42Å; D415-S417 PolarHBondContact OD1-N 3.22Å; D415-S417 PolarHBondContact OD1-OG 3.22Å; D415-N418 PolarHBondContact N-OD1 3.2Å; D415-N418 CarbonylContact O-C 3.49Å; D415-N418 PolarHBondContact O-N 3.45Å; D415-N418 PolarHBondContact O-OD1 2.79Å; D415-N418 PolarHBondContact OD1-OD1 3.03Å; D415-K419 PolarHBondContact O-N 3.45Å
416S88.9Confident89.9Confident65 Ų6545.3 Ų45.346%0.45524%0.243SC..THydrogen-bonded Turntrans-66.1-12.9179.960.20000114.5K419S416-K419 WeakPolarHBondContact O-CE 3.22Å
417S88.8Confident89.6Confident103 Ų10345.2 Ų45.272%0.7224%0.242SC*.THydrogen-bonded Turntrans-85.5-28176.372.50000113.2D415D415-S417 PolarHBondContact O-N 3.29Å; D415-S417 WeakPolarHBondContact OD1-CA 3.47Å; D415-S417 VanDerWaalsContact OD1-CB 3.26Å; D415-S417 WeakPolarHBondContact OD1-CB 3.42Å; D415-S417 PolarHBondContact OD1-N 3.22Å; D415-S417 PolarHBondContact OD1-OG 3.22Å
418N89.1Confident89.1Confident53 Ų5348.1 Ų48.128%0.28327%0.266SS..SBendtrans-133.152.3-177.364-24.1000111.7Y362 L413 I414 D415 Q420Y362-N418 WeakPolarHBondContact CE2-O 3.3Å; Y362-N418 PolarHBondContact OH-O 2.66Å; L413-N418 PolarHBondContact O-ND2 3.32Å; I414-N418 WeakPolarHBondContact CA-OD1 3.41Å; D415-N418 PolarHBondContact N-OD1 3.2Å; D415-N418 CarbonylContact O-C 3.49Å; D415-N418 PolarHBondContact O-N 3.45Å; D415-N418 PolarHBondContact O-OD1 2.79Å; D415-N418 PolarHBondContact OD1-OD1 3.03Å; N418-Q420 PolarHBondContact O-N 3.32Å; N418-Q420 VanDerWaalsContact O-N 3.1Å
419K85.7Confident88.4Confident62 Ų6246.3 Ų46.327%0.2727%0.265SS..  trans-60.4-20.5-175.5-61.1174.8-175.3168.80114.3T363 L364 E367 D415 S416T363-K419 CarbonylContact C-O 3.53Å; T363-K419 WeakPolarHBondContact CA-O 2.99Å; L364-K419 HydrophobicContact CB-CB 4.44Å; L364-K419 PolarHBondContact N-O 3.48Å; E367-K419 HydrophobicContact CG-CD 4.27Å; E367-K419 WeakPolarHBondContact OE1-CE 3.14Å; E367-K419 IonicContact OE1-NZ 3.72Å; E367-K419 PolarHBondContact OE1-NZ 3.1Å; E367-K419 WeakPolarHBondContact OE2-CE 3.08Å; E367-K419 IonicContact OE2-NZ 3.95Å; E367-K419 PolarHBondContact OE2-NZ 2.76Å; D415-K419 PolarHBondContact O-N 3.45Å; S416-K419 WeakPolarHBondContact O-CE 3.22Å
420Q82.7Confident87.6Confident142 Ų14247.8 Ų47.866%0.66428%0.281SS*.EExtended strand (participates in β ladder)trans-132.8149.5-177.5-66.2175.6-1.700109.3Y362 T363 N418Y362-Q420 WeakPolarHBondContact O-CA 3.39Å; Y362-Q420 PolarHBondContact OH-O 3.23Å; T363-Q420 HydrophobicContact CG2-CG 4.11Å; N418-Q420 PolarHBondContact O-N 3.32Å; N418-Q420 VanDerWaalsContact O-N 3.1Å
421G83.3Confident87Confident9 Ų946.1 Ų46.19%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-168162.8172.100000111E361 Y362 D395E361-G421 WeakPolarHBondContact CA-O 3.5Å; Y362-G421 WeakPolarHBondContact CD1-O 3.46Å; Y362-G421 VanDerWaalsContact CE1-CA 3.42Å; Y362-G421 PolarHBondContact N-O 3.37Å; Y362-G421 PolarHBondContact O-N 2.96Å; D395-G421 WeakPolarHBondContact OD2-CA 3.33Å
422A83.6Confident86.3Confident16 Ų1647 Ų4713%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-134155.1-171.700000113I360 E361 D395 W409I360-A422 CarbonylContact O-C 3.57Å; I360-A422 VanDerWaalsContact O-CA 3.3Å; I360-A422 WeakPolarHBondContact O-CA 3.39Å; E361-A422 HydrophobicContact CG-CB 4.1Å; D395-A422 PolarHBondContact N-O 3.26Å; D395-A422 PolarHBondContact OD2-N 2.57Å; W409-A422 VanDerWaalsContact CH2-C 3.47Å; W409-A422 VanDerWaalsContact CZ2-C 3.47Å; W409-A422 WeakPolarHBondContact CZ2-O 3.47Å
423L86.8Confident85.9Confident0 Ų045.5 Ų45.50%029%0.285CS..EExtended strand (participates in β ladder)trans-137.6120.6170.116864.1000108.6I360 I391 E393 C394 L407 W409 F425I360-L423 PolarHBondContact N-O 3.36Å; I360-L423 PolarHBondContact O-N 3.21Å; I391-L423 HydrophobicContact CG2-CD1 3.96Å; E393-L423 WeakPolarHBondContact O-CA 3.48Å; E393-L423 WeakPolarHBondContact O-CD1 3.42Å; C394-L423 HydrophobicContact CB-CD1 3.68Å; L407-L423 HydrophobicContact CD2-CD2 3.94Å; W409-L423 HydrophobicContact CB-CD2 3.67Å; W409-L423 HydrophobicContact CD2-CB 3.76Å; W409-L423 HydrophobicContact CD2-CD2 3.86Å; W409-L423 HydrophobicContact CD2-CG 4.46Å; W409-L423 HydrophobicContact CE3-CB 3.84Å; W409-L423 HydrophobicContact CE3-CD2 4.11Å; W409-L423 HydrophobicContact CG-CB 4.34Å; W409-L423 HydrophobicContact CG-CD2 3.68Å; W409-L423 HydrophobicContact CH2-CB 3.98Å; W409-L423 HydrophobicContact CZ2-CB 3.93Å; W409-L423 HydrophobicContact CZ3-CB 3.96Å; L423-F425 HydrophobicContact CD2-CD1 4.45Å; L423-F425 HydrophobicContact CG-CD1 4.17Å
424E88.5Confident85.6Confident67 Ų6745.1 Ų45.131%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-116.5128.9178-60.1-163.815900110.6V358 N359 A392 E393V358-E424 WeakPolarHBondContact O-CA 3.45Å; N359-E424 HydrophobicContact CB-CG 4.25Å; N359-E424 PolarHBondContact ND2-OE1 2.81Å; A392-E424 HydrophobicContact CB-CB 4.12Å; A392-E424 PolarHBondContact N-O 3.36Å; E393-E424 HydrophobicContact CB-CB 4.18Å; E393-E424 HydrophobicContact CB-CG 4.3Å; E393-E424 PolarHBondContact N-O 2.73Å; E393-E424 PolarHBondContact O-N 3.41Å
425F90.3Very high85.4Confident3 Ų345.1 Ų45.11%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-150.5156.5175.968.3-86000113.2V358 I360 V378 L380 P389 V390 I391 L407 L423 T427 F435V358-F425 HydrophobicContact CB-CD1 4.2Å; V358-F425 HydrophobicContact CB-CD2 4.34Å; V358-F425 HydrophobicContact CB-CE1 3.74Å; V358-F425 HydrophobicContact CB-CE2 3.89Å; V358-F425 HydrophobicContact CB-CG 4.48Å; V358-F425 HydrophobicContact CB-CZ 3.58Å; V358-F425 HydrophobicContact CG1-CE1 3.73Å; V358-F425 HydrophobicContact CG1-CE2 4.45Å; V358-F425 HydrophobicContact CG1-CZ 3.67Å; V358-F425 HydrophobicContact CG2-CE2 3.87Å; V358-F425 HydrophobicContact CG2-CZ 3.9Å; V358-F425 PolarHBondContact N-O 2.83Å; V358-F425 PolarHBondContact O-N 2.92Å; I360-F425 HydrophobicContact CD1-CE1 3.93Å; I360-F425 HydrophobicContact CG1-CE1 4.44Å; V378-F425 HydrophobicContact CG1-CZ 4.05Å; L380-F425 HydrophobicContact CD2-CD2 4.49Å; L380-F425 HydrophobicContact CD2-CE2 3.58Å; L380-F425 HydrophobicContact CD2-CZ 4.04Å; P389-F425 HydrophobicContact CB-CB 4.43Å; P389-F425 HydrophobicContact CB-CD2 3.76Å; P389-F425 HydrophobicContact CB-CE2 4.49Å; P389-F425 HydrophobicContact CB-CG 4.41Å; V390-F425 CarbonylContact O-C 3.52Å; V390-F425 VanDerWaalsContact O-CA 3.22Å; V390-F425 WeakPolarHBondContact O-CA 3.3Å; V390-F425 WeakPolarHBondContact O-CB 3.39Å; I391-F425 HydrophobicContact CD1-CB 3.5Å; I391-F425 HydrophobicContact CD1-CG 4.27Å; L407-F425 HydrophobicContact CD2-CD1 3.62Å; L407-F425 HydrophobicContact CD2-CD2 4.29Å; L407-F425 HydrophobicContact CD2-CE1 3.78Å; L407-F425 HydrophobicContact CD2-CE2 4.43Å; L407-F425 HydrophobicContact CD2-CG 3.9Å; L407-F425 HydrophobicContact CD2-CZ 4.18Å; L423-F425 HydrophobicContact CD2-CD1 4.45Å; L423-F425 HydrophobicContact CG-CD1 4.17Å; F425-T427 HydrophobicContact CD2-CG2 4.12Å; F425-T427 HydrophobicContact CE2-CG2 3.9Å; F425-F435 HydrophobicContact CE2-CD1 4.26Å; F425-F435 AromaticContact CE2-CE1 3.89Å; F425-F435 HydrophobicContact CE2-CE1 3.89Å; F425-F435 HydrophobicContact CZ-CD1 4.16Å; F425-F435 HydrophobicContact CZ-CE1 4.25Å
426T87.7Confident85.3Confident51 Ų5145 Ų4531%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-116.3136.1176.4-560000110.5C356 D357 P389 V390C356-T426 WeakPolarHBondContact O-CA 3.49Å; D357-T426 WeakPolarHBondContact OD1-CB 3.24Å; D357-T426 WeakPolarHBondContact OD1-CG2 3.46Å; D357-T426 PolarHBondContact OD1-OG1 2.92Å; P389-T426 WeakPolarHBondContact CA-O 3.21Å; V390-T426 PolarHBondContact N-O 2.68Å; V390-T426 PolarHBondContact O-N 2.8Å
427T87.8Confident85.5Confident10 Ų1044.8 Ų44.86%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-104.3147.4168.164.10000111G355 C356 L380 P381 P389 F425 S429 F435G355-T427 CarbonylContact C-O 3.59Å; G355-T427 WeakPolarHBondContact CA-O 3.13Å; C356-T427 PolarHBondContact N-O 3.15Å; C356-T427 VanDerWaalsContact N-O 3.11Å; C356-T427 PolarHBondContact O-N 2.84Å; L380-T427 HydrophobicContact CD2-CG2 4.02Å; P381-T427 HydrophobicContact CG-CG2 4.42Å; P389-T427 HydrophobicContact CB-CG2 4.37Å; F425-T427 HydrophobicContact CD2-CG2 4.12Å; F425-T427 HydrophobicContact CE2-CG2 3.9Å; T427-S429 WeakPolarHBondContact CB-O 3.22Å; T427-S429 PolarHBondContact O-N 3.09Å; T427-S429 PolarHBondContact OG1-O 2.89Å; T427-F435 HydrophobicContact CG2-CE1 3.71Å; T427-F435 HydrophobicContact CG2-CZ 3.89Å
428A84.3Confident85.6Confident62 Ų6239.9 Ų39.951%0.51225%0.245SC..SBendtrans-76.4-4.5178.300000114.3K354K354-A428 CarbonylContact O-C 3.57Å; K354-A428 VanDerWaalsContact O-O 3.04Å
429S80.9Confident85.9Confident37 Ų3739.3 Ų39.326%0.25924%0.244SC..SBendtrans-161.4167.8-177.160.20000110.2P381 T427P381-S429 WeakPolarHBondContact CG-O 3.47Å; T427-S429 WeakPolarHBondContact CB-O 3.22Å; T427-S429 PolarHBondContact O-N 3.09Å; T427-S429 PolarHBondContact OG1-O 2.89Å
430G79Confident86.3Confident32 Ų3236.5 Ų36.533%0.3323%0.231SC..  trans107.5171.1177.200000112.8N434G430-N434 WeakPolarHBondContact CA-OD1 3.43Å
431T81Confident86.9Confident71 Ų7135.4 Ų35.444%0.43623%0.226SC..  trans-119.6163.7173.463.80000109.6D351 A433 N434 F435D351-T431 WeakPolarHBondContact OD1-CA 3.31Å; T431-A433 PolarHBondContact O-N 2.95Å; T431-N434 PolarHBondContact N-OD1 2.88Å; T431-N434 WeakPolarHBondContact O-CB 3.33Å; T431-N434 PolarHBondContact O-N 2.85Å; T431-N434 PolarHBondContact O-OD1 2.84Å; T431-N434 PolarHBondContact OG1-OD1 2.87Å; T431-F435 WeakPolarHBondContact O-CE2 3.43Å
432A78Confident87.4Confident26 Ų2635.1 Ų35.122%0.21522%0.223CC..G310 helixtrans-44.1-33.3173.700000114.7P349 D351 N434 F436P349-A432 HydrophobicContact CB-CB 3.93Å; P349-A432 HydrophobicContact CG-CB 3.59Å; D351-A432 PolarHBondContact OD1-N 2.95Å; A432-N434 VanDerWaalsContact C-N 3.29Å; A432-N434 PolarHBondContact O-N 2.83Å; A432-F436 WeakPolarHBondContact O-CD2 2.99Å; A432-F436 WeakPolarHBondContact O-CE2 3.34Å
433A83.5Confident87.8Confident51 Ų5136.4 Ų36.442%0.42123%0.229SC..G310 helixtrans-69.3-22.5179.900000114.2T431 F435T431-A433 PolarHBondContact O-N 2.95Å; A433-F435 VanDerWaalsContact C-N 3.25Å; A433-F435 PolarHBondContact O-N 3.26Å
434N87.5Confident88.1Confident64 Ų6436.5 Ų36.534%0.34223%0.23SC..G310 helixtrans-72.9-17.7-178.1-66.4126000113.7P381 G430 T431 A432 F436P381-N434 HydrophobicContact CB-CB 3.83Å; P381-N434 HydrophobicContact CG-CB 4.36Å; G430-N434 WeakPolarHBondContact CA-OD1 3.43Å; T431-N434 PolarHBondContact N-OD1 2.88Å; T431-N434 WeakPolarHBondContact O-CB 3.33Å; T431-N434 PolarHBondContact O-N 2.85Å; T431-N434 PolarHBondContact O-OD1 2.84Å; T431-N434 PolarHBondContact OG1-OD1 2.87Å; A432-N434 VanDerWaalsContact C-N 3.29Å; A432-N434 PolarHBondContact O-N 2.83Å; N434-F436 VanDerWaalsContact C-N 3.28Å; N434-F436 PolarHBondContact O-N 3.43Å
435F86.7Confident88.1Confident0 Ų039.1 Ų39.10%024%0.24CC..G310 helixtrans-88.78.2-177.7-54.8-73.3000113.7P349 C356 V358 V378 P379 L380 P381 F425 T427 T431 A433 I438P349-F435 HydrophobicContact CB-CD2 3.76Å; P349-F435 HydrophobicContact CB-CE2 4.26Å; P349-F435 HydrophobicContact CG-CD2 4.45Å; C356-F435 HydrophobicContact CB-CE2 3.6Å; C356-F435 HydrophobicContact CB-CZ 3.78Å; C356-F435 WeakPolarHBondContact SG-CE2 3.38Å; V358-F435 HydrophobicContact CG2-CD1 3.97Å; V358-F435 HydrophobicContact CG2-CD2 3.94Å; V358-F435 HydrophobicContact CG2-CE1 3.73Å; V358-F435 HydrophobicContact CG2-CE2 3.72Å; V358-F435 HydrophobicContact CG2-CG 4.06Å; V358-F435 HydrophobicContact CG2-CZ 3.6Å; V378-F435 HydrophobicContact CG1-CB 4.17Å; V378-F435 HydrophobicContact CG1-CD1 4.19Å; P379-F435 WeakPolarHBondContact CD-O 3.29Å; P379-F435 WeakPolarHBondContact O-CA 3.46Å; P379-F435 WeakPolarHBondContact O-CD1 3.45Å; L380-F435 HydrophobicContact CD2-CD1 4.17Å; L380-F435 HydrophobicContact CD2-CE1 3.9Å; P381-F435 HydrophobicContact CG-CE1 4.44Å; P381-F435 HydrophobicContact CG-CZ 4.28Å; F425-F435 HydrophobicContact CE2-CD1 4.26Å; F425-F435 AromaticContact CE2-CE1 3.89Å; F425-F435 HydrophobicContact CE2-CE1 3.89Å; F425-F435 HydrophobicContact CZ-CD1 4.16Å; F425-F435 HydrophobicContact CZ-CE1 4.25Å; T427-F435 HydrophobicContact CG2-CE1 3.71Å; T427-F435 HydrophobicContact CG2-CZ 3.89Å; T431-F435 WeakPolarHBondContact O-CE2 3.43Å; A433-F435 VanDerWaalsContact C-N 3.25Å; A433-F435 PolarHBondContact O-N 3.26Å; F435-I438 WeakPolarHBondContact O-CG1 3.42Å
436F87.7Confident87.9Confident20 Ų2042 Ų429%0.08826%0.255CS..  trans-125.7149.4177.8-60.4-85.6000110.6R263 C347 P349 A432 N434 I438 I475R263-F436 HydrophobicContact CB-CE1 4.32Å; R263-F436 HydrophobicContact CB-CZ 4.23Å; R263-F436 HydrophobicContact CG-CD1 4.16Å; R263-F436 HydrophobicContact CG-CE1 3.86Å; R263-F436 HydrophobicContact CG-CE2 4.31Å; R263-F436 HydrophobicContact CG-CZ 3.94Å; C347-F436 HydrophobicContact CB-CE1 4.34Å; C347-F436 HydrophobicContact CB-CZ 4.23Å; P349-F436 HydrophobicContact CG-CE2 3.97Å; P349-F436 HydrophobicContact CG-CZ 4.46Å; A432-F436 WeakPolarHBondContact O-CD2 2.99Å; A432-F436 WeakPolarHBondContact O-CE2 3.34Å; N434-F436 VanDerWaalsContact C-N 3.28Å; N434-F436 PolarHBondContact O-N 3.43Å; F436-I438 HydrophobicContact CD1-CD1 4.37Å; F436-I438 HydrophobicContact CD1-CG1 4.24Å; F436-I438 HydrophobicContact CE1-CD1 4.11Å; F436-I438 HydrophobicContact CE1-CG1 4.47Å; F436-I475 HydrophobicContact CD1-CG2 4.25Å; F436-I475 HydrophobicContact CE1-CG2 3.97Å
437P92.7Very high87.6Confident61 Ų6140.1 Ų40.140%0.39624%0.243SC..SBendcis-79.4138.41.333.3-36000112.9P379 I475 L476P379-P437 VanDerWaalsContact CD-O 3.22Å; P379-P437 WeakPolarHBondContact CD-O 3.18Å; P379-P437 WeakPolarHBondContact CG-O 3.41Å; P437-I475 CarbonylContact C-O 3.4Å; P437-I475 WeakPolarHBondContact CA-O 3.1Å; P437-L476 HydrophobicContact CB-CD2 3.66Å
438I91.8Very high87.1Confident0 Ų040.5 Ų40.50%024%0.244CC..EExtended strand (participates in β ladder)trans-84.3131.5171.6-57.7173.5000107.8C347 I376 T377 V378 F435 F436 E474 I475C347-I438 HydrophobicContact CB-CD1 3.31Å; I376-I438 HydrophobicContact CG2-CG2 3.57Å; T377-I438 WeakPolarHBondContact O-CA 3.26Å; V378-I438 HydrophobicContact CG2-CG2 4.26Å; F435-I438 WeakPolarHBondContact O-CG1 3.42Å; F436-I438 HydrophobicContact CD1-CD1 4.37Å; F436-I438 HydrophobicContact CD1-CG1 4.24Å; F436-I438 HydrophobicContact CE1-CD1 4.11Å; F436-I438 HydrophobicContact CE1-CG1 4.47Å; I438-E474 CarbonylContact O-C 3.55Å; I438-E474 VanDerWaalsContact O-CA 3.3Å; I438-E474 WeakPolarHBondContact O-CA 3.35Å; I438-I475 HydrophobicContact CB-CB 4.14Å; I438-I475 HydrophobicContact CB-CD1 4.14Å; I438-I475 HydrophobicContact CB-CG1 4.46Å; I438-I475 HydrophobicContact CD1-CD1 4.45Å; I438-I475 HydrophobicContact CG2-CD1 4.27Å; I438-I475 PolarHBondContact N-O 2.78Å; I438-I475 PolarHBondContact O-N 3Å
439T95.1Very high86.6Confident42 Ų4238.7 Ų38.726%0.25823%0.227SC..EExtended strand (participates in β ladder)trans-107.7136.2177.655.50000110.3I376 T377 Y473 E474I376-T439 CarbonylContact C-O 3.52Å; I376-T439 WeakPolarHBondContact CA-O 2.97Å; T377-T439 WeakPolarHBondContact CB-OG1 2.91Å; T377-T439 PolarHBondContact N-O 3.5Å; T377-T439 PolarHBondContact O-N 3.47Å; T439-Y473 CarbonylContact C-O 3.55Å; T439-Y473 WeakPolarHBondContact CA-O 3.26Å; T439-E474 HydrophobicContact CG2-CG 4.1Å
440V94Very high85.9Confident2 Ų240.2 Ų40.21%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-117.4130.6178.1-175.40000109F343 V345 I376 F442 Y473F343-V440 HydrophobicContact CD1-CG1 4.23Å; F343-V440 HydrophobicContact CE1-CG1 3.84Å; V345-V440 HydrophobicContact CB-CG2 4.48Å; V345-V440 HydrophobicContact CG2-CG2 4.11Å; I376-V440 HydrophobicContact CG1-CG1 4.15Å; I376-V440 HydrophobicContact CG1-CG2 4.19Å; I376-V440 HydrophobicContact CG2-CG2 4.44Å; V440-F442 HydrophobicContact CG1-CD1 4.1Å; V440-Y473 HydrophobicContact CB-CD1 3.97Å; V440-Y473 HydrophobicContact CB-CD2 4Å; V440-Y473 HydrophobicContact CB-CG 3.71Å; V440-Y473 HydrophobicContact CG1-CD2 4.27Å; V440-Y473 HydrophobicContact CG1-CG 4.48Å; V440-Y473 HydrophobicContact CG2-CD1 3.91Å; V440-Y473 HydrophobicContact CG2-CE1 4.13Å; V440-Y473 HydrophobicContact CG2-CG 4.19Å; V440-Y473 PolarHBondContact N-O 2.94Å; V440-Y473 WeakPolarHBondContact O-CB 3.42Å
441Q94.6Very high85.2Confident119 Ų11940.3 Ų40.356%0.55623%0.228SC*.EExtended strand (participates in β ladder)trans-125.1134.2174.9-66.3-178-6.500109.8V374 C375 T470V374-Q441 CarbonylContact C-O 3.51Å; V374-Q441 VanDerWaalsContact CA-O 3.29Å; V374-Q441 WeakPolarHBondContact CA-O 3.47Å; C375-Q441 PolarHBondContact N-O 3.17Å; C375-Q441 PolarHBondContact O-N 2.95Å; Q441-T470 VanDerWaalsContact CA-OG1 3.3Å; Q441-T470 WeakPolarHBondContact CA-OG1 3.45Å
442F93.8Very high84.4Confident4 Ų444.8 Ų44.82%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-155.5163.9172.962.6-103.8000111.3I257 F343 L371 V374 V440 L468 T470 Y473I257-F442 HydrophobicContact CG2-CE2 4.42Å; I257-F442 HydrophobicContact CG2-CZ 4Å; F343-F442 HydrophobicContact CD1-CD1 4.49Å; F343-F442 HydrophobicContact CD1-CE1 4.37Å; L371-F442 HydrophobicContact CB-CB 4.4Å; L371-F442 HydrophobicContact CD1-CD1 4.32Å; L371-F442 HydrophobicContact CD1-CD2 4.44Å; L371-F442 HydrophobicContact CD1-CG 4.29Å; L371-F442 HydrophobicContact CD2-CD2 3.74Å; L371-F442 HydrophobicContact CD2-CE2 3.79Å; L371-F442 HydrophobicContact CD2-CG 4.36Å; L371-F442 HydrophobicContact CD2-CZ 4.44Å; L371-F442 HydrophobicContact CG-CD2 4.46Å; V374-F442 HydrophobicContact CB-CB 4.29Å; V374-F442 HydrophobicContact CG1-CB 4.36Å; V374-F442 HydrophobicContact CG2-CB 3.79Å; V440-F442 HydrophobicContact CG1-CD1 4.1Å; F442-L468 HydrophobicContact CE2-CD2 4.22Å; F442-L468 HydrophobicContact CE2-CG 4.37Å; F442-T470 HydrophobicContact CD1-CG2 3.34Å; F442-T470 HydrophobicContact CD2-CG2 4Å; F442-T470 HydrophobicContact CE1-CG2 3.32Å; F442-T470 HydrophobicContact CE2-CG2 3.99Å; F442-T470 HydrophobicContact CG-CG2 3.69Å; F442-T470 HydrophobicContact CZ-CG2 3.66Å; F442-T470 PolarHBondContact N-OG1 3.2Å; F442-T470 VanDerWaalsContact N-OG1 3.08Å; F442-T470 PolarHBondContact O-N 2.76Å; F442-T470 VanDerWaalsContact O-N 3.14Å; F442-T470 PolarHBondContact O-OG1 2.78Å; F442-Y473 HydrophobicContact CE1-CD2 4.14Å
443T93.2Very high83.4Confident42 Ų4244.6 Ų44.626%0.25824%0.24SC..EExtended strand (participates in β ladder)trans-124.6161.1167.562.90000110.4L371 E372 L468L371-T443 CarbonylContact C-O 3.43Å; L371-T443 WeakPolarHBondContact CA-O 3.47Å; E372-T443 PolarHBondContact N-O 2.91Å; E372-T443 PolarHBondContact O-N 2.81Å; E372-T443 PolarHBondContact O-OG1 2.83Å; T443-L468 CarbonylContact C-O 3.56Å; T443-L468 VanDerWaalsContact CA-O 3.31Å; T443-L468 WeakPolarHBondContact CA-O 3.08Å
444S91.5Very high82.3Confident3 Ų344 Ų442%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-151.3143.9173.9160.40000108.5Q370 I446 K467 L468Q370-S444 WeakPolarHBondContact O-CA 3.3Å; Q370-S444 WeakPolarHBondContact O-CB 3.27Å; Q370-S444 PolarHBondContact O-OG 3.11Å; Q370-S444 VanDerWaalsContact O-OG 3.13Å; S444-I446 VanDerWaalsContact C-N 3.27Å; S444-I446 WeakPolarHBondContact OG-CA 3.13Å; S444-I446 PolarHBondContact OG-N 2.77Å; S444-I446 PolarHBondContact OG-O 3.48Å; S444-K467 CarbonylContact O-C 3.53Å; S444-K467 WeakPolarHBondContact O-CA 3.45Å; S444-L468 PolarHBondContact N-O 3.32Å; S444-L468 PolarHBondContact O-N 3.3Å
445K89.4Confident80.8Confident122 Ų12245.5 Ų45.553%0.5324%0.241SC..SBendtrans-78.5-18.6170.3-65.5-176.8-176.1101.70111.9E372 T466E372-K445 VanDerWaalsContact CD-NZ 3.28Å; E372-K445 IonicContact OE1-NZ 3.63Å; E372-K445 PolarHBondContact OE1-NZ 3.18Å; E372-K445 IonicContact OE2-NZ 2.8Å; E372-K445 PolarHBondContact OE2-NZ 3.02Å; K445-T466 WeakPolarHBondContact O-CB 3.43Å; K445-T466 PolarHBondContact O-OG1 2.83Å
446I86.5Confident79.1Confident64 Ų6455.7 Ų55.733%0.32828%0.279SS..SBendtrans-93.4123.1-179.6-55.6176.9000108.2R368 L369 Q370 S444 L468R368-I446 WeakPolarHBondContact O-CD1 3.34Å; L369-I446 HydrophobicContact CD2-CB 4.29Å; L369-I446 HydrophobicContact CD2-CG2 4.07Å; Q370-I446 HydrophobicContact CB-CD1 4.19Å; Q370-I446 HydrophobicContact CG-CD1 3.92Å; S444-I446 VanDerWaalsContact C-N 3.27Å; S444-I446 WeakPolarHBondContact OG-CA 3.13Å; S444-I446 PolarHBondContact OG-N 2.77Å; S444-I446 PolarHBondContact OG-O 3.48Å; I446-L468 WeakPolarHBondContact O-CB 3.5Å
447L81.3Confident77.4Confident11 Ų1157.9 Ų57.96%0.05831%0.307CS..  trans-67.4146.6176.3-60.4-178.3000110.7M253 E255 C449 M451 T466M253-L447 HydrophobicContact CB-CD1 3.77Å; M253-L447 HydrophobicContact CG-CD1 4.48Å; M253-L447 HydrophobicContact SD-CD1 3.91Å; E255-L447 HydrophobicContact CB-CD2 4.26Å; E255-L447 HydrophobicContact CG-CD2 4.01Å; E255-L447 WeakPolarHBondContact OE2-CB 2.9Å; L447-C449 VanDerWaalsContact CB-O 3.31Å; L447-C449 WeakPolarHBondContact CB-O 3.43Å; L447-M451 HydrophobicContact CD1-CB 4.46Å; L447-M451 HydrophobicContact CD1-CE 4.05Å; L447-T466 HydrophobicContact CD1-CG2 4.13Å; L447-T466 HydrophobicContact CG-CG2 4.25Å
448F77.5Confident75.6Confident18 Ų1856.4 Ų56.48%0.07930%0.296CS..SBendtrans-64.8-50.6170.9-170.8-102.1000111.6E255 V272 F340 I342 L369 L468E255-F448 WeakPolarHBondContact OE2-CA 3.02Å; E255-F448 WeakPolarHBondContact OE2-CB 3.48Å; E255-F448 PolarHBondContact OE2-N 3.4Å; V272-F448 HydrophobicContact CB-CD1 4.32Å; V272-F448 HydrophobicContact CG1-CB 4.23Å; V272-F448 HydrophobicContact CG1-CD1 4.32Å; V272-F448 HydrophobicContact CG2-CD1 3.64Å; V272-F448 HydrophobicContact CG2-CE1 4.12Å; V272-F448 HydrophobicContact CG2-CG 4.16Å; F340-F448 HydrophobicContact CB-CE1 3.74Å; F340-F448 HydrophobicContact CB-CZ 3.38Å; F340-F448 HydrophobicContact CD2-CE1 4.04Å; F340-F448 HydrophobicContact CG-CE1 4.03Å; F340-F448 HydrophobicContact CG-CZ 4.09Å; I342-F448 HydrophobicContact CB-CE2 3.96Å; I342-F448 HydrophobicContact CD1-CD2 3.67Å; I342-F448 HydrophobicContact CD1-CE1 4Å; I342-F448 HydrophobicContact CD1-CE2 3.15Å; I342-F448 HydrophobicContact CD1-CG 4.33Å; I342-F448 HydrophobicContact CD1-CZ 3.28Å; I342-F448 HydrophobicContact CG1-CD2 4.1Å; I342-F448 HydrophobicContact CG1-CE2 3.21Å; I342-F448 HydrophobicContact CG1-CZ 3.47Å; I342-F448 VanDerWaalsContact CG1-CZ 3.47Å; I342-F448 HydrophobicContact CG2-CD2 4.02Å; I342-F448 HydrophobicContact CG2-CE2 3.81Å; L369-F448 HydrophobicContact CD1-CD2 4.09Å; L369-F448 HydrophobicContact CD1-CE2 4.46Å; F448-L468 HydrophobicContact CB-CD1 4.1Å; F448-L468 HydrophobicContact CB-CD2 4.1Å
449C72.8Confident74.1Confident23 Ų2361.4 Ų61.416%0.15533%0.331CS..SBendtrans-78.6124.6170.9-165.50000108.6E255 L447 M451E255-C449 WeakPolarHBondContact OE1-CB 3.3Å; E255-C449 PolarHBondContact OE1-N 2.77Å; E255-C449 PolarHBondContact OE2-N 2.95Å; L447-C449 VanDerWaalsContact CB-O 3.31Å; L447-C449 WeakPolarHBondContact CB-O 3.43Å; C449-M451 HydrophobicContact CB-CG 4.4Å; C449-M451 PolarHBondContact O-N 2.88Å
450P67.4Low72.5Confident70 Ų7060 Ų6046%0.45532%0.323SS..  trans-72.573.618028.9-33.2000111.8
451M63.8Low71.5Confident33 Ų3368.1 Ų68.116%0.16336%0.359CS..  trans-91.2125.9170.5-62.8-170.3-68.800109.6M253 I276 V295 L447 C449M253-M451 HydrophobicContact SD-CB 4.41Å; I276-M451 HydrophobicContact CD1-CE 4.25Å; I276-M451 HydrophobicContact CD1-SD 3.99Å; I276-M451 HydrophobicContact CG1-CE 4.48Å; V295-M451 HydrophobicContact CG2-CG 4.33Å; L447-M451 HydrophobicContact CD1-CB 4.46Å; L447-M451 HydrophobicContact CD1-CE 4.05Å; C449-M451 HydrophobicContact CB-CG 4.4Å; C449-M451 PolarHBondContact O-N 2.88Å
452K63.7Low70.3Confident165 Ų16563.6 Ų63.672%0.71734%0.337SS*.  trans-114.7115.2174.4-69.2-174179.1-179.50109.5G293 S454G293-K452 VanDerWaalsContact CA-O 3.23Å; G293-K452 WeakPolarHBondContact CA-O 3.41Å; G293-K452 PolarHBondContact N-O 2.89Å; K452-S454 PolarHBondContact O-N 2.84Å
453A57.8Low69.6Low23 Ų2364.2 Ų64.219%0.1934%0.342CS..EExtended strand (participates in β ladder)trans-68.9130.7169.300000110.1M253 L292 F462 L464M253-A453 HydrophobicContact CE-CB 3.78Å; L292-A453 HydrophobicContact CD2-CB 3.94Å; A453-F462 HydrophobicContact CB-CE2 3.86Å; A453-F462 HydrophobicContact CB-CZ 3.62Å; A453-L464 HydrophobicContact CB-CD1 4.14Å; A453-L464 HydrophobicContact CB-CD2 4.17Å
454S59.4Low68.9Low37 Ų3766 Ų6626%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-110.8130.3178.8-177.40000110.6K291 K452 R456K291-S454 PolarHBondContact O-N 3.02Å; K452-S454 PolarHBondContact O-N 2.84Å; S454-R456 PolarHBondContact O-N 3.42Å; S454-R456 PolarHBondContact OG-N 2.86Å
455N56.5Low68.5Low96 Ų9670 Ų7051%0.51337%0.368SS..  trans-72.3-2.2172.7-95.4-37.2000113.7G457 F462N455-G457 PolarHBondContact O-N 3.45Å; N455-G457 VanDerWaalsContact O-N 3.16Å; N455-F462 HydrophobicContact CB-CE1 4.44Å; N455-F462 WeakPolarHBondContact OD1-CD1 3.32Å; N455-F462 WeakPolarHBondContact OD1-CE1 3.42Å
456R50.8Low68.2Low214 Ų21466.3 Ų66.381%0.80836%0.356SS*.THydrogen-bonded Turntrans-76.1107-174.9-68.4-169177.6-159.90.2110.9S454S454-R456 PolarHBondContact O-N 3.42Å; S454-R456 PolarHBondContact OG-N 2.86Å
457G52.5Low68.3Low66 Ų6667.2 Ų67.268%0.6836%0.357SS*.THydrogen-bonded Turntrans112.63.9175.900000115.4N455N455-G457 PolarHBondContact O-N 3.45Å; N455-G457 VanDerWaalsContact O-N 3.16Å
458L54.1Low68.7Low30 Ų3066.7 Ų66.716%0.15736%0.355CS..  trans-96.1138-175.3-89.2155.3000112.8V288 M289 V290 A460 F462V288-L458 HydrophobicContact CG2-CD2 3.42Å; V288-L458 VanDerWaalsContact CG2-CD2 3.42Å; M289-L458 VanDerWaalsContact C-CD2 3.42Å; M289-L458 WeakPolarHBondContact O-CD2 3.31Å; M289-L458 WeakPolarHBondContact O-CG 3.15Å; V290-L458 HydrophobicContact CG2-CD2 4.34Å; L458-A460 VanDerWaalsContact C-N 3.27Å; L458-A460 PolarHBondContact O-N 2.88Å; L458-F462 HydrophobicContact CD1-CD1 3.83Å; L458-F462 HydrophobicContact CD1-CE1 3.68Å
459S59.9Low69.3Low106 Ų10666.8 Ų66.874%0.74136%0.358SS*.SBendtrans-79.8-1.9174.865.60000114.1
460A62Low70.2Confident11 Ų1167 Ų679%0.09136%0.358CS..SBendtrans-144.8145-172.500000112.9V249 Y285 V288 L458V249-A460 HydrophobicContact CG2-CB 4.29Å; Y285-A460 HydrophobicContact CD1-CB 3.49Å; Y285-A460 VanDerWaalsContact CD1-CB 3.49Å; Y285-A460 HydrophobicContact CE1-CB 3.28Å; Y285-A460 HydrophobicContact CG-CB 4.27Å; V288-A460 HydrophobicContact CG2-CB 4.23Å; L458-A460 VanDerWaalsContact C-N 3.27Å; L458-A460 PolarHBondContact O-N 2.88Å
461K72.4Confident71.3Confident174 Ų17467.4 Ų67.476%0.75736%0.356SS*.  trans-71.5130.2169.1-68.1-177.6179.2178.90109.3
462F70.5Confident72.5Confident23 Ų2368.3 Ų68.310%0.10136%0.364CS..EExtended strand (participates in β ladder)trans-111.8162.5172.671.3-91000112.2N247 V249 V251 A453 N455 L458 L464N247-F462 PolarHBondContact ND2-O 2.67Å; N247-F462 VanDerWaalsContact ND2-O 3.17Å; V249-F462 HydrophobicContact CB-CB 3.9Å; V249-F462 HydrophobicContact CG1-CB 3.75Å; V249-F462 CarbonylContact O-C 3.57Å; V249-F462 WeakPolarHBondContact O-CA 3.45Å; V249-F462 WeakPolarHBondContact O-CB 3.35Å; V251-F462 HydrophobicContact CB-CD2 4.21Å; V251-F462 HydrophobicContact CB-CE2 4.48Å; V251-F462 HydrophobicContact CG2-CD2 3.8Å; V251-F462 HydrophobicContact CG2-CE2 4.27Å; V251-F462 HydrophobicContact CG2-CG 4.31Å; A453-F462 HydrophobicContact CB-CE2 3.86Å; A453-F462 HydrophobicContact CB-CZ 3.62Å; N455-F462 HydrophobicContact CB-CE1 4.44Å; N455-F462 WeakPolarHBondContact OD1-CD1 3.32Å; N455-F462 WeakPolarHBondContact OD1-CE1 3.42Å; L458-F462 HydrophobicContact CD1-CD1 3.83Å; L458-F462 HydrophobicContact CD1-CE1 3.68Å; F462-L464 HydrophobicContact CD2-CB 4.38Å; F462-L464 HydrophobicContact CE2-CB 3.98Å; F462-L464 HydrophobicContact CE2-CD1 4.37Å
463S78.6Confident73.8Confident17 Ų1761 Ų6112%0.11933%0.332CS..EExtended strand (participates in β ladder)trans-106.4140.6168.651.30000108.9N247 V249 H250 V251N247-S463 PolarHBondContact N-OG 2.65Å; N247-S463 VanDerWaalsContact N-OG 3.11Å; V249-S463 PolarHBondContact O-N 2.94Å; V249-S463 PolarHBondContact O-OG 2.84Å; H250-S463 CarbonylContact C-O 3.58Å; H250-S463 WeakPolarHBondContact CA-O 3.02Å; H250-S463 WeakPolarHBondContact CB-OG 2.88Å; H250-S463 PolarHBondContact ND1-O 2.78Å; H250-S463 PolarHBondContact ND1-OG 2.81Å; V251-S463 PolarHBondContact N-O 2.81Å
464L78.8Confident75.5Confident81 Ų8162.8 Ų62.842%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-118130.7-177-176.466000109.9V251 M253 A453 F462 T466V251-L464 HydrophobicContact CB-CD1 3.99Å; V251-L464 HydrophobicContact CG1-CD1 3.92Å; V251-L464 CarbonylContact O-C 3.47Å; V251-L464 VanDerWaalsContact O-CA 3.32Å; V251-L464 WeakPolarHBondContact O-CA 3.37Å; M253-L464 HydrophobicContact CE-CD1 3.91Å; M253-L464 HydrophobicContact CG-CD1 4.23Å; M253-L464 HydrophobicContact SD-CD1 4.1Å; A453-L464 HydrophobicContact CB-CD1 4.14Å; A453-L464 HydrophobicContact CB-CD2 4.17Å; F462-L464 HydrophobicContact CD2-CB 4.38Å; F462-L464 HydrophobicContact CE2-CB 3.98Å; F462-L464 HydrophobicContact CE2-CD1 4.37Å; L464-T466 HydrophobicContact CD1-CG2 4.37Å; L464-T466 HydrophobicContact CD2-CG2 4.21Å; L464-T466 HydrophobicContact CG-CG2 4.11Å
465E82Confident76.7Confident85 Ų8561.1 Ų61.140%0.39732%0.324SS..EExtended strand (participates in β ladder)trans-122.3130.6168.6-178-179.8159.900108.8H250 V251 K252 M253H250-E465 IonicContact CE1-OE2 2.76Å; H250-E465 IonicContact NE2-OE2 3.48Å; V251-E465 PolarHBondContact O-N 2.96Å; K252-E465 CarbonylContact C-O 3.5Å; K252-E465 WeakPolarHBondContact CA-O 3.42Å; K252-E465 HydrophobicContact CG-CB 4.25Å; K252-E465 HydrophobicContact CG-CG 4.41Å; M253-E465 PolarHBondContact N-O 2.84Å
466T84.7Confident78.1Confident46 Ų4660.4 Ų60.428%0.28232%0.32SS..EExtended strand (participates in β ladder)trans-123.8133.717853.80000109.9M253 K445 L447 L464M253-T466 HydrophobicContact CB-CG2 4.22Å; M253-T466 CarbonylContact O-C 3.57Å; M253-T466 WeakPolarHBondContact O-CA 3.39Å; M253-T466 HydrophobicContact SD-CG2 4.26Å; K445-T466 WeakPolarHBondContact O-CB 3.43Å; K445-T466 PolarHBondContact O-OG1 2.83Å; L447-T466 HydrophobicContact CD1-CG2 4.13Å; L447-T466 HydrophobicContact CG-CG2 4.25Å; L464-T466 HydrophobicContact CD1-CG2 4.37Å; L464-T466 HydrophobicContact CD2-CG2 4.21Å; L464-T466 HydrophobicContact CG-CG2 4.11Å
467K88.7Confident79.5Confident83 Ų8352.8 Ų52.836%0.36130%0.296SS..EExtended strand (participates in β ladder)trans-146.9122.9179.4-175.1-179.6178.2-175.50110.8M253 E254 E255 S444M253-K467 PolarHBondContact O-N 2.64Å; E254-K467 CarbonylContact C-O 3.36Å; E254-K467 VanDerWaalsContact CA-O 3.3Å; E254-K467 WeakPolarHBondContact CA-O 3.39Å; E255-K467 PolarHBondContact N-O 2.93Å; S444-K467 CarbonylContact O-C 3.53Å; S444-K467 WeakPolarHBondContact O-CA 3.45Å
468L88.5Confident80.9Confident0 Ų052.1 Ų52.10%028%0.275CS..EExtended strand (participates in β ladder)trans-99.8136.6163.4172.866.8000108.4E255 I257 L369 F442 T443 S444 I446 F448E255-L468 HydrophobicContact CB-CD1 3.67Å; E255-L468 CarbonylContact O-C 3.5Å; E255-L468 WeakPolarHBondContact O-CA 3.27Å; I257-L468 HydrophobicContact CB-CD1 4.43Å; L369-L468 HydrophobicContact CD2-CD2 4.09Å; F442-L468 HydrophobicContact CE2-CD2 4.22Å; F442-L468 HydrophobicContact CE2-CG 4.37Å; T443-L468 CarbonylContact C-O 3.56Å; T443-L468 VanDerWaalsContact CA-O 3.31Å; T443-L468 WeakPolarHBondContact CA-O 3.08Å; S444-L468 PolarHBondContact N-O 3.32Å; S444-L468 PolarHBondContact O-N 3.3Å; I446-L468 WeakPolarHBondContact O-CB 3.5Å; F448-L468 HydrophobicContact CB-CD1 4.1Å; F448-L468 HydrophobicContact CB-CD2 4.1Å
469S91.1Very high82.4Confident20 Ų2053.3 Ų53.314%0.1428%0.282CS..EExtended strand (participates in β ladder)trans-147150.1175.952.10000111.8E255 K256 I257E255-S469 PolarHBondContact O-N 2.74Å; K256-S469 VanDerWaalsContact CA-O 3.31Å; K256-S469 WeakPolarHBondContact CA-O 3.31Å; I257-S469 PolarHBondContact N-O 2.83Å
470T91.1Very high83.7Confident26 Ų2650.2 Ų50.216%0.1626%0.255CS..EExtended strand (participates in β ladder)trans-71.8124.7170.4510000110.9I257 Q441 F442I257-T470 HydrophobicContact CG2-CG2 3.86Å; Q441-T470 VanDerWaalsContact CA-OG1 3.3Å; Q441-T470 WeakPolarHBondContact CA-OG1 3.45Å; F442-T470 HydrophobicContact CD1-CG2 3.34Å; F442-T470 HydrophobicContact CD2-CG2 4Å; F442-T470 HydrophobicContact CE1-CG2 3.32Å; F442-T470 HydrophobicContact CE2-CG2 3.99Å; F442-T470 HydrophobicContact CG-CG2 3.69Å; F442-T470 HydrophobicContact CZ-CG2 3.66Å; F442-T470 PolarHBondContact N-OG1 3.2Å; F442-T470 VanDerWaalsContact N-OG1 3.08Å; F442-T470 PolarHBondContact O-N 2.76Å; F442-T470 VanDerWaalsContact O-N 3.14Å; F442-T470 PolarHBondContact O-OG1 2.78Å
471D89.3Confident85.1Confident79 Ų7952.6 Ų52.642%0.42227%0.265SS..EExtended strand (participates in β ladder)trans-93.8-49.3168.2-158.848000109.2K256 I257K256-D471 HydrophobicContact CB-CB 4.07Å; K256-D471 HydrophobicContact CD-CB 4.22Å; K256-D471 HydrophobicContact CG-CB 4.39Å; K256-D471 IonicContact NZ-OD1 3.16Å; K256-D471 PolarHBondContact NZ-OD1 3.34Å; I257-D471 PolarHBondContact O-N 3.29Å
472V90.2Very high85.9Confident52 Ų5244.5 Ų44.532%0.31523%0.233SC..EExtended strand (participates in β ladder)trans-138.7128.5167.6-178.90000108.7I257 N258 V259 E474I257-V472 PolarHBondContact O-N 2.88Å; N258-V472 CarbonylContact C-O 3.46Å; N258-V472 WeakPolarHBondContact CA-O 3.23Å; N258-V472 WeakPolarHBondContact OD1-CB 3.45Å; N258-V472 PolarHBondContact OD1-N 3.38Å; V259-V472 PolarHBondContact N-O 3.26Å; V472-E474 HydrophobicContact CG1-CG 3.89Å
473Y91.7Very high87Confident12 Ų1246.1 Ų46.15%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-137.3109.5162.4-171-34.5000106.7V259 Q261 F343 T439 V440 F442 I475V259-Y473 HydrophobicContact CB-CD1 3.9Å; V259-Y473 HydrophobicContact CB-CD2 3.93Å; V259-Y473 HydrophobicContact CB-CE1 4.2Å; V259-Y473 HydrophobicContact CB-CE2 4.25Å; V259-Y473 HydrophobicContact CB-CG 3.73Å; V259-Y473 HydrophobicContact CG1-CD1 4.09Å; V259-Y473 HydrophobicContact CG1-CD2 4.42Å; V259-Y473 HydrophobicContact CG1-CE1 3.88Å; V259-Y473 HydrophobicContact CG1-CE2 4.25Å; V259-Y473 HydrophobicContact CG1-CG 4.33Å; V259-Y473 HydrophobicContact CG2-CD2 3.72Å; V259-Y473 HydrophobicContact CG2-CE2 4.04Å; V259-Y473 HydrophobicContact CG2-CG 4.01Å; V259-Y473 WeakPolarHBondContact O-CA 3.41Å; Q261-Y473 PolarHBondContact OE1-OH 3.49Å; F343-Y473 HydrophobicContact CD1-CE2 4.43Å; F343-Y473 PolarHBondContact O-OH 3.13Å; T439-Y473 CarbonylContact C-O 3.55Å; T439-Y473 WeakPolarHBondContact CA-O 3.26Å; V440-Y473 HydrophobicContact CB-CD1 3.97Å; V440-Y473 HydrophobicContact CB-CD2 4Å; V440-Y473 HydrophobicContact CB-CG 3.71Å; V440-Y473 HydrophobicContact CG1-CD2 4.27Å; V440-Y473 HydrophobicContact CG1-CG 4.48Å; V440-Y473 HydrophobicContact CG2-CD1 3.91Å; V440-Y473 HydrophobicContact CG2-CE1 4.13Å; V440-Y473 HydrophobicContact CG2-CG 4.19Å; V440-Y473 PolarHBondContact N-O 2.94Å; V440-Y473 WeakPolarHBondContact O-CB 3.42Å; F442-Y473 HydrophobicContact CE1-CD2 4.14Å; Y473-I475 HydrophobicContact CE1-CG1 4.07Å
474E92.5Very high87.6Confident60 Ų6048.3 Ų48.328%0.2825%0.251SS..EExtended strand (participates in β ladder)trans-126.4137.4-179.9-66.9178161.300111.7V259 K260 Q261 I438 T439 V472 L476V259-E474 PolarHBondContact O-N 2.94Å; K260-E474 WeakPolarHBondContact CA-O 3.32Å; Q261-E474 PolarHBondContact N-O 2.89Å; I438-E474 CarbonylContact O-C 3.55Å; I438-E474 VanDerWaalsContact O-CA 3.3Å; I438-E474 WeakPolarHBondContact O-CA 3.35Å; T439-E474 HydrophobicContact CG2-CG 4.1Å; V472-E474 HydrophobicContact CG1-CG 3.89Å; E474-L476 HydrophobicContact CB-CD2 4.11Å
475I85.4Confident88.4Confident2 Ų245.6 Ų45.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-106.1117.8168-51.6165.1000107Q261 V345 F436 P437 I438 Y473Q261-I475 HydrophobicContact CB-CG1 4.14Å; Q261-I475 CarbonylContact O-C 3.57Å; Q261-I475 VanDerWaalsContact O-CA 3.31Å; Q261-I475 WeakPolarHBondContact O-CA 2.91Å; V345-I475 HydrophobicContact CB-CD1 3.74Å; V345-I475 HydrophobicContact CG1-CD1 3.79Å; V345-I475 VanDerWaalsContact O-CD1 3.26Å; V345-I475 WeakPolarHBondContact O-CD1 3.5Å; F436-I475 HydrophobicContact CD1-CG2 4.25Å; F436-I475 HydrophobicContact CE1-CG2 3.97Å; P437-I475 CarbonylContact C-O 3.4Å; P437-I475 WeakPolarHBondContact CA-O 3.1Å; I438-I475 HydrophobicContact CB-CB 4.14Å; I438-I475 HydrophobicContact CB-CD1 4.14Å; I438-I475 HydrophobicContact CB-CG1 4.46Å; I438-I475 HydrophobicContact CD1-CD1 4.45Å; I438-I475 HydrophobicContact CG2-CD1 4.27Å; I438-I475 PolarHBondContact N-O 2.78Å; I438-I475 PolarHBondContact O-N 3Å; Y473-I475 HydrophobicContact CE1-CG1 4.07Å
476L85.3Confident89Confident82 Ų8242 Ų4243%0.42922%0.222SC..  trans-101.90-170.9-58.6-177.2000112.7Q261 R263 P437 E474Q261-L476 PolarHBondContact O-N 3.37Å; R263-L476 WeakPolarHBondContact CG-O 3.13Å; R263-L476 VanDerWaalsContact CZ-OXT 3.29Å; R263-L476 PolarHBondContact N-O 2.94Å; R263-L476 PolarHBondContact NE-O 3.04Å; R263-L476 PolarHBondContact NE-OXT 3.19Å; R263-L476 PolarHBondContact NH2-OXT 3.47Å; P437-L476 HydrophobicContact CB-CD2 3.66Å; E474-L476 HydrophobicContact CB-CD2 4.11Å

Retrieved 476 of 476 residues in 173.3 ms (Link to these results)

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