A0A3B3VY18_9TELE Loading...

Katanin p60 ATPase-containing subunit A1

Catalytic subunit of a complex which severs microtubules in an ATP-dependent manner. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation.

AlphaFold DB , UniProt , Accession A0A3B3VY18, Species 9TELE (Poecilia latipinna, sailfin molly), Gene KATNA1, Length 482 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
1M57.2Low78.8Confident151 Ų15176.6 Ų76.674%0.74441%0.412SS*.  0135.80-87.2179.9-173.700108.1L3 K38M1-L3 PolarHBondContact O-N 3.47Å; M1-K38 HydrophobicContact CE-CD 3.55Å; M1-K38 HydrophobicContact CE-CG 3.86Å
2N70.1Confident79.5Confident85 Ų8576.2 Ų76.246%0.45540%0.404SS..  trans-90.3105.5-172.1-157.24.3000109.3A4 E5N2-A4 PolarHBondContact O-N 3.09Å; N2-A4 VanDerWaalsContact O-N 3.13Å; N2-E5 HydrophobicContact CB-CB 4.3Å; N2-E5 VanDerWaalsContact CB-CD 3.49Å; N2-E5 HydrophobicContact CB-CG 3.9Å; N2-E5 WeakPolarHBondContact CB-OE1 3.43Å; N2-E5 PolarHBondContact ND2-OE1 2.98Å; N2-E5 WeakPolarHBondContact O-CB 3.38Å; N2-E5 PolarHBondContact O-N 3.5Å
3L73.1Confident80.2Confident97 Ų9770.3 Ų70.351%0.50837%0.373SS..Hα-helixtrans-56.2-27.2176.8-82.1152000112.3M1 E5 I6 C7 W52M1-L3 PolarHBondContact O-N 3.47Å; L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.18Å; L3-I6 PolarHBondContact O-N 3.34Å; L3-C7 PolarHBondContact O-N 3.38Å; L3-W52 HydrophobicContact CD2-CH2 3.36Å; L3-W52 HydrophobicContact CD2-CZ2 3.42Å; L3-W52 VanDerWaalsContact CD2-CZ2 3.42Å
4A74.7Confident81Confident61 Ų6173.8 Ų73.850%0.50438%0.378SS..Hα-helixtrans-62.4-36.6174.200000112.8N2 C7 D8N2-A4 PolarHBondContact O-N 3.09Å; N2-A4 VanDerWaalsContact O-N 3.13Å; A4-C7 PolarHBondContact O-N 3.1Å; A4-D8 WeakPolarHBondContact O-CB 3.38Å; A4-D8 PolarHBondContact O-N 3.03Å
5E79.1Confident81.7Confident105 Ų10576.5 Ų76.549%0.49139%0.389SS..Hα-helixtrans-70.8-37.6179.6-73162.9-155.200111.7N2 L3 C7 D8 N9N2-E5 HydrophobicContact CB-CB 4.3Å; N2-E5 VanDerWaalsContact CB-CD 3.49Å; N2-E5 HydrophobicContact CB-CG 3.9Å; N2-E5 WeakPolarHBondContact CB-OE1 3.43Å; N2-E5 PolarHBondContact ND2-OE1 2.98Å; N2-E5 WeakPolarHBondContact O-CB 3.38Å; N2-E5 PolarHBondContact O-N 3.5Å; L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.18Å; E5-C7 VanDerWaalsContact C-N 3.33Å; E5-D8 PolarHBondContact O-N 3.43Å; E5-N9 VanDerWaalsContact O-CB 3.31Å; E5-N9 WeakPolarHBondContact O-CB 3.48Å; E5-N9 PolarHBondContact O-N 3.1Å; E5-N9 PolarHBondContact O-ND2 3.18Å
6I82.1Confident82.2Confident14 Ų1476.4 Ų76.47%0.07238%0.383CS..Hα-helixtrans-63.4-43.6175.5-60.4175.5000109.9L3 A10 V32 Q35 I36L3-I6 PolarHBondContact O-N 3.34Å; I6-A10 WeakPolarHBondContact O-CB 3.34Å; I6-A10 PolarHBondContact O-N 3.29Å; I6-V32 HydrophobicContact CG2-CG1 4.07Å; I6-Q35 HydrophobicContact CD1-CB 4.36Å; I6-Q35 HydrophobicContact CG1-CB 4.19Å; I6-I36 HydrophobicContact CG2-CD1 4.2Å; I6-I36 HydrophobicContact CG2-CG1 3.89Å
7C82.2Confident82.5Confident65 Ų6573.1 Ų73.144%0.43937%0.37SS..Hα-helixtrans-66.9-42.2178.7-172.50000112.3L3 A4 E5 A10 K11L3-C7 PolarHBondContact O-N 3.38Å; A4-C7 PolarHBondContact O-N 3.1Å; E5-C7 VanDerWaalsContact C-N 3.33Å; C7-A10 PolarHBondContact O-N 3.01Å; C7-K11 WeakPolarHBondContact O-CG 3.44Å; C7-K11 PolarHBondContact O-N 3.26Å
8D85.7Confident82.8Confident75 Ų7577.7 Ų77.740%0.40139%0.394SS..Hα-helixtrans-65.2-42.1177.8-169.559.1000111.8A4 E5 A10 K11 K12A4-D8 WeakPolarHBondContact O-CB 3.38Å; A4-D8 PolarHBondContact O-N 3.03Å; E5-D8 PolarHBondContact O-N 3.43Å; D8-A10 PolarHBondContact O-N 3.3Å; D8-K11 PolarHBondContact O-N 3.09Å; D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 2.85Å; D8-K12 VanDerWaalsContact OD2-CE 3.31Å; D8-K12 WeakPolarHBondContact OD2-CE 2.94Å; D8-K12 IonicContact OD2-NZ 3.84Å; D8-K12 PolarHBondContact OD2-NZ 2.87Å
9N86.4Confident83.1Confident37 Ų3780.2 Ų80.220%0.19841%0.408CS..Hα-helixtrans-66.2-37.3176.4-71-29.6000112.4E5 K12 G13 V32E5-N9 VanDerWaalsContact O-CB 3.31Å; E5-N9 WeakPolarHBondContact O-CB 3.48Å; E5-N9 PolarHBondContact O-N 3.1Å; E5-N9 PolarHBondContact O-ND2 3.18Å; N9-K12 PolarHBondContact O-N 3.49Å; N9-G13 PolarHBondContact O-N 3.33Å; N9-V32 HydrophobicContact CB-CG2 3.45Å; N9-V32 VanDerWaalsContact CB-CG2 3.45Å
10A86.4Confident83.2Confident15 Ų1578.2 Ų78.212%0.12441%0.409CS..Hα-helixtrans-66.4-40.3174.900000112I6 C7 D8 G13 R14 V32I6-A10 WeakPolarHBondContact O-CB 3.34Å; I6-A10 PolarHBondContact O-N 3.29Å; C7-A10 PolarHBondContact O-N 3.01Å; D8-A10 PolarHBondContact O-N 3.3Å; A10-G13 PolarHBondContact O-N 3.15Å; A10-R14 PolarHBondContact O-N 3.26Å; A10-V32 HydrophobicContact CB-CG1 4.32Å; A10-V32 HydrophobicContact CB-CG2 4.35Å
11K89.7Confident83.5Confident138 Ų13877.6 Ų77.660%0.641%0.406SS*.Hα-helixtrans-62.7-45.4174.5-75.4177.7-179.5-1790111.9C7 D8 G13 R14 E15C7-K11 WeakPolarHBondContact O-CG 3.44Å; C7-K11 PolarHBondContact O-N 3.26Å; D8-K11 PolarHBondContact O-N 3.09Å; K11-G13 PolarHBondContact O-N 3.01Å; K11-R14 PolarHBondContact O-N 3.26Å; K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.03Å
12K88Confident85Confident71 Ų7173.1 Ų73.131%0.30938%0.381SS..Hα-helixtrans-60.9-42.1176.3-76.1171.1176.2161.80112.2D8 N9 R14 E15 Y16 Y28D8-K12 WeakPolarHBondContact O-CG 3.46Å; D8-K12 PolarHBondContact O-N 2.85Å; D8-K12 VanDerWaalsContact OD2-CE 3.31Å; D8-K12 WeakPolarHBondContact OD2-CE 2.94Å; D8-K12 IonicContact OD2-NZ 3.84Å; D8-K12 PolarHBondContact OD2-NZ 2.87Å; N9-K12 PolarHBondContact O-N 3.49Å; K12-R14 VanDerWaalsContact C-N 3.35Å; K12-R14 PolarHBondContact O-N 3.39Å; K12-E15 PolarHBondContact O-N 2.91Å; K12-Y16 HydrophobicContact CB-CD2 4.4Å; K12-Y16 HydrophobicContact CB-CE2 4.25Å; K12-Y16 WeakPolarHBondContact O-CD2 3.46Å; K12-Y16 PolarHBondContact O-N 3.25Å; K12-Y28 HydrophobicContact CB-CD1 4.46Å
13G88.6Confident85.8Confident0 Ų074.4 Ų74.40%039%0.388CS..Hα-helixtrans-56.2-46.7173.900000112.6N9 A10 K11 A17 S25N9-G13 PolarHBondContact O-N 3.33Å; A10-G13 PolarHBondContact O-N 3.15Å; K11-G13 PolarHBondContact O-N 3.01Å; G13-A17 PolarHBondContact O-N 3.4Å; G13-A17 VanDerWaalsContact O-N 3.15Å; G13-S25 PolarHBondContact O-OG 2.95Å; G13-S25 VanDerWaalsContact O-OG 3.05Å
14R91.2Very high86.6Confident119 Ų11971.7 Ų71.745%0.44938%0.377SS..Hα-helixtrans-65.5-41.3176.6-72175.4178.9173.6-0.6113.1A10 K11 K12 A17 L18 Y29 E62A10-R14 PolarHBondContact O-N 3.26Å; K11-R14 PolarHBondContact O-N 3.26Å; K12-R14 VanDerWaalsContact C-N 3.35Å; K12-R14 PolarHBondContact O-N 3.39Å; R14-A17 PolarHBondContact O-N 3.08Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.45Å; R14-L18 VanDerWaalsContact O-N 3.12Å; R14-Y29 WeakPolarHBondContact CG-OH 3.42Å; R14-E62 IonicContact CZ-OE1 2.68Å; R14-E62 IonicContact CZ-OE2 2.85Å; R14-E62 IonicContact NE-OE1 3.47Å; R14-E62 IonicContact NE-OE2 3.56Å; R14-E62 PolarHBondContact NE-OE2 3.26Å; R14-E62 VanDerWaalsContact NH2-CD 3.3Å; R14-E62 IonicContact NH2-OE1 2.76Å; R14-E62 PolarHBondContact NH2-OE1 3.41Å; R14-E62 IonicContact NH2-OE2 3.01Å; R14-E62 PolarHBondContact NH2-OE2 3.03Å
15E90.9Very high87.3Confident115 Ų11568.8 Ų68.854%0.53735%0.353SS..Hα-helixtrans-64.9-44.1178.6-170.4177-173.100111.9K11 K12 A17 L18 L19K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.03Å; K12-E15 PolarHBondContact O-N 2.91Å; E15-A17 VanDerWaalsContact C-N 3.32Å; E15-A17 PolarHBondContact O-N 2.78Å; E15-L18 PolarHBondContact O-N 3.5Å; E15-L18 VanDerWaalsContact O-N 3.17Å; E15-L19 HydrophobicContact CG-CD1 4.16Å; E15-L19 WeakPolarHBondContact O-CG 3.48Å; E15-L19 PolarHBondContact O-N 3.01Å
16Y89.8Confident87.9Confident75 Ų7564.7 Ų64.729%0.29434%0.336SS..Hα-helixtrans-65-34.3176.1-75.6-58.3000113K12 L19 G20 N21 Y28K12-Y16 HydrophobicContact CB-CD2 4.4Å; K12-Y16 HydrophobicContact CB-CE2 4.25Å; K12-Y16 WeakPolarHBondContact O-CD2 3.46Å; K12-Y16 PolarHBondContact O-N 3.25Å; Y16-L19 PolarHBondContact O-N 3Å; Y16-G20 PolarHBondContact O-N 3.23Å; Y16-N21 HydrophobicContact CD1-CB 4.37Å; Y16-N21 PolarHBondContact O-N 3.01Å; Y16-Y28 AromaticContact CD2-CD2 3.65Å; Y16-Y28 HydrophobicContact CD2-CD2 3.65Å; Y16-Y28 AromaticContact CD2-CE2 3.63Å; Y16-Y28 HydrophobicContact CD2-CE2 3.63Å; Y16-Y28 AromaticContact CE2-CD2 3.83Å; Y16-Y28 HydrophobicContact CE2-CD2 3.83Å; Y16-Y28 AromaticContact CE2-CE2 3.31Å; Y16-Y28 HydrophobicContact CE2-CE2 3.31Å
17A88.3Confident88.3Confident20 Ų2068.6 Ų68.617%0.16536%0.36CS..Hα-helixtrans-64-39.5172.700000112.3G13 R14 E15 G20 Y22 V66G13-A17 PolarHBondContact O-N 3.4Å; G13-A17 VanDerWaalsContact O-N 3.15Å; R14-A17 PolarHBondContact O-N 3.08Å; E15-A17 VanDerWaalsContact C-N 3.32Å; E15-A17 PolarHBondContact O-N 2.78Å; A17-G20 PolarHBondContact O-N 3.47Å; A17-Y22 WeakPolarHBondContact O-CE1 3.41Å; A17-V66 HydrophobicContact CB-CG2 4.18Å
18L88Confident88.7Confident155 Ų15569.3 Ų69.381%0.81235%0.354SS*.Hα-helixtrans-69.6-34.5176.6-71.8171.1000112.7R14 E15 G20R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.45Å; R14-L18 VanDerWaalsContact O-N 3.12Å; E15-L18 PolarHBondContact O-N 3.5Å; E15-L18 VanDerWaalsContact O-N 3.17Å; L18-G20 PolarHBondContact O-N 3.15Å
19L88.4Confident88.9Confident125 Ų12566.1 Ų66.165%0.65434%0.336SS*.THydrogen-bonded Turntrans-78.61.2177-66.7172.2000113.4E15 Y16 N21E15-L19 HydrophobicContact CG-CD1 4.16Å; E15-L19 WeakPolarHBondContact O-CG 3.48Å; E15-L19 PolarHBondContact O-N 3.01Å; Y16-L19 PolarHBondContact O-N 3Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.33Å
20G83.9Confident89.1Confident41 Ų4168.8 Ų68.842%0.42335%0.347SS..THydrogen-bonded Turntrans76.69.5178.200000115.1Y16 A17 L18 Y22Y16-G20 PolarHBondContact O-N 3.23Å; A17-G20 PolarHBondContact O-N 3.47Å; L18-G20 PolarHBondContact O-N 3.15Å; G20-Y22 WeakPolarHBondContact O-CD2 3.48Å; G20-Y22 PolarHBondContact O-N 3.19Å
21N89.4Confident89.2Confident65 Ų6569.3 Ų69.335%0.34835%0.354SS..  trans-93.975.1176-170-22.5000109.9Y16 L19 S24 S25Y16-N21 HydrophobicContact CD1-CB 4.37Å; Y16-N21 PolarHBondContact O-N 3.01Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.33Å; N21-S24 VanDerWaalsContact CG-OG 3.31Å; N21-S24 PolarHBondContact ND2-OG 3.44Å; N21-S24 PolarHBondContact O-N 2.77Å; N21-S24 WeakPolarHBondContact OD1-CB 3.3Å; N21-S24 PolarHBondContact OD1-N 2.85Å; N21-S24 PolarHBondContact OD1-OG 3.12Å; N21-S25 WeakPolarHBondContact O-CB 3.46Å; N21-S25 PolarHBondContact O-N 2.75Å; N21-S25 VanDerWaalsContact O-N 3.17Å
22Y89.3Confident89.2Confident57 Ų5762.8 Ų62.822%0.22433%0.326CS..Hα-helixtrans-67.6-34.6-173.9-56.6-66.2000112.9A17 G20 S24 S25 V26 V66 I69 L73A17-Y22 WeakPolarHBondContact O-CE1 3.41Å; G20-Y22 WeakPolarHBondContact O-CD2 3.48Å; G20-Y22 PolarHBondContact O-N 3.19Å; Y22-S24 PolarHBondContact O-N 3.36Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 2.95Å; Y22-V26 VanDerWaalsContact O-CG2 3.27Å; Y22-V26 WeakPolarHBondContact O-CG2 3.44Å; Y22-V26 PolarHBondContact O-N 3.4Å; Y22-V66 HydrophobicContact CD1-CG1 4.11Å; Y22-I69 HydrophobicContact CD1-CG2 4.39Å; Y22-I69 HydrophobicContact CD2-CG2 4.46Å; Y22-I69 HydrophobicContact CE1-CG2 3.92Å; Y22-I69 HydrophobicContact CE2-CG2 4Å; Y22-L73 HydrophobicContact CD2-CD1 3.68Å; Y22-L73 HydrophobicContact CE2-CD1 3.5Å; Y22-L73 VanDerWaalsContact CE2-CD1 3.5Å
23D87.3Confident89.3Confident113 Ų11360.5 Ų60.560%0.60432%0.317SS*.Hα-helixtrans-58.7-46176.9-63.2-70.8000112.2
24S89.1Confident89.3Confident40 Ų4066.2 Ų66.228%0.2834%0.344SS..Hα-helixtrans-70.1-40.8178.7-56.90000111.2N21 Y22 V26 V27 Y28N21-S24 VanDerWaalsContact CG-OG 3.31Å; N21-S24 PolarHBondContact ND2-OG 3.44Å; N21-S24 PolarHBondContact O-N 2.77Å; N21-S24 WeakPolarHBondContact OD1-CB 3.3Å; N21-S24 PolarHBondContact OD1-N 2.85Å; N21-S24 PolarHBondContact OD1-OG 3.12Å; Y22-S24 PolarHBondContact O-N 3.36Å; S24-V26 PolarHBondContact O-N 3.37Å; S24-V27 PolarHBondContact O-N 2.86Å; S24-Y28 WeakPolarHBondContact O-CD2 3.27Å; S24-Y28 PolarHBondContact O-N 3.34Å
25S90.6Very high89.1Confident0 Ų063.7 Ų63.70%034%0.337CS..Hα-helixtrans-56.2-48.3177.51740000112.5G13 N21 Y22 V27 Y28 Y29G13-S25 PolarHBondContact O-OG 2.95Å; G13-S25 VanDerWaalsContact O-OG 3.05Å; N21-S25 WeakPolarHBondContact O-CB 3.46Å; N21-S25 PolarHBondContact O-N 2.75Å; N21-S25 VanDerWaalsContact O-N 3.17Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 2.95Å; S25-V27 VanDerWaalsContact C-N 3.31Å; S25-V27 PolarHBondContact O-N 3.03Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.15Å; S25-Y29 WeakPolarHBondContact O-CD2 3.41Å; S25-Y29 PolarHBondContact O-N 3.42Å; S25-Y29 WeakPolarHBondContact OG-CD2 3.35Å; S25-Y29 VanDerWaalsContact OG-CE2 3.29Å; S25-Y29 WeakPolarHBondContact OG-CE2 3.45Å
26V90.3Very high88.8Confident19 Ų1958.3 Ų58.312%0.11531%0.312CS..Hα-helixtrans-56.6-43179.7167.70000111.6Y22 S24 Y29 Q30 Y63 V66Y22-V26 VanDerWaalsContact O-CG2 3.27Å; Y22-V26 WeakPolarHBondContact O-CG2 3.44Å; Y22-V26 PolarHBondContact O-N 3.4Å; S24-V26 PolarHBondContact O-N 3.37Å; V26-Y29 PolarHBondContact O-N 2.93Å; V26-Q30 WeakPolarHBondContact O-CB 3.44Å; V26-Q30 PolarHBondContact O-N 3.47Å; V26-Y63 HydrophobicContact CB-CE2 4.33Å; V26-Y63 HydrophobicContact CG1-CE2 3.61Å; V26-V66 HydrophobicContact CG2-CG1 3.79Å
27V90.9Very high88.6Confident95 Ų9558.2 Ų58.258%0.57631%0.314SS*.Hα-helixtrans-64.8-41.7179.2177.30000111.7S24 S25 Q30 G31S24-V27 PolarHBondContact O-N 2.86Å; S25-V27 VanDerWaalsContact C-N 3.31Å; S25-V27 PolarHBondContact O-N 3.03Å; V27-Q30 PolarHBondContact O-N 2.98Å; V27-G31 PolarHBondContact O-N 2.66Å
28Y90.4Very high88.5Confident81 Ų8163.5 Ų63.532%0.31833%0.333SS..Hα-helixtrans-65.8-45.4177.3-79.5-71.3000112K12 Y16 S24 S25 Q30 G31 V32K12-Y28 HydrophobicContact CB-CD1 4.46Å; Y16-Y28 AromaticContact CD2-CD2 3.65Å; Y16-Y28 HydrophobicContact CD2-CD2 3.65Å; Y16-Y28 AromaticContact CD2-CE2 3.63Å; Y16-Y28 HydrophobicContact CD2-CE2 3.63Å; Y16-Y28 AromaticContact CE2-CD2 3.83Å; Y16-Y28 HydrophobicContact CE2-CD2 3.83Å; Y16-Y28 AromaticContact CE2-CE2 3.31Å; Y16-Y28 HydrophobicContact CE2-CE2 3.31Å; S24-Y28 WeakPolarHBondContact O-CD2 3.27Å; S24-Y28 PolarHBondContact O-N 3.34Å; S25-Y28 PolarHBondContact O-N 3.48Å; S25-Y28 VanDerWaalsContact O-N 3.15Å; Y28-Q30 PolarHBondContact O-N 3.39Å; Y28-G31 PolarHBondContact O-N 3.05Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.42Å; Y28-V32 PolarHBondContact O-N 3.37Å
29Y90.1Very high88.2Confident8 Ų857.6 Ų57.63%0.03130%0.301CS..Hα-helixtrans-61-44175.9-82-69.4000112.1R14 S25 V26 G31 V32 I33 L59 E62 V66R14-Y29 WeakPolarHBondContact CG-OH 3.42Å; S25-Y29 WeakPolarHBondContact O-CD2 3.41Å; S25-Y29 PolarHBondContact O-N 3.42Å; S25-Y29 WeakPolarHBondContact OG-CD2 3.35Å; S25-Y29 VanDerWaalsContact OG-CE2 3.29Å; S25-Y29 WeakPolarHBondContact OG-CE2 3.45Å; V26-Y29 PolarHBondContact O-N 2.93Å; Y29-G31 VanDerWaalsContact C-N 3.31Å; Y29-G31 PolarHBondContact O-N 3.23Å; Y29-V32 PolarHBondContact O-N 2.87Å; Y29-I33 VanDerWaalsContact O-CG1 3.26Å; Y29-I33 WeakPolarHBondContact O-CG1 3.32Å; Y29-I33 PolarHBondContact O-N 3.29Å; Y29-L59 HydrophobicContact CD1-CD2 4.39Å; Y29-L59 HydrophobicContact CE1-CD2 4.11Å; Y29-E62 HydrophobicContact CE1-CB 4.1Å; Y29-E62 PolarHBondContact OH-OE2 3.28Å; Y29-V66 HydrophobicContact CE2-CG2 4.12Å
30Q90.8Very high87.8Confident92 Ų9252 Ų5243%0.4327%0.273SS..Hα-helixtrans-60.1-42.1176.4-171.8178.66.900111.7V26 V27 Y28 I33 Q34 Y63V26-Q30 WeakPolarHBondContact O-CB 3.44Å; V26-Q30 PolarHBondContact O-N 3.47Å; V27-Q30 PolarHBondContact O-N 2.98Å; Y28-Q30 PolarHBondContact O-N 3.39Å; Q30-I33 PolarHBondContact O-N 3.27Å; Q30-Q34 WeakPolarHBondContact O-CG 3.18Å; Q30-Q34 PolarHBondContact O-N 3.38Å; Q30-Q34 VanDerWaalsContact O-N 3.12Å; Q30-Y63 HydrophobicContact CB-CE2 4.41Å
31G88.9Confident87.7Confident26 Ų2656.5 Ų56.527%0.26828%0.283SS..Hα-helixtrans-62.6-44.1175.600000113.1V27 Y28 Y29 Q34 Q35V27-G31 PolarHBondContact O-N 2.66Å; Y28-G31 PolarHBondContact O-N 3.05Å; Y29-G31 VanDerWaalsContact C-N 3.31Å; Y29-G31 PolarHBondContact O-N 3.23Å; G31-Q34 PolarHBondContact O-N 2.84Å; G31-Q35 VanDerWaalsContact O-CG 3.29Å; G31-Q35 WeakPolarHBondContact O-CG 3.25Å; G31-Q35 PolarHBondContact O-N 2.9Å
32V89.8Confident87.2Confident1 Ų157.8 Ų57.81%0.00630%0.297CS..Hα-helixtrans-64.2-44.8177.81730000111.1I6 N9 A10 Y28 Y29 Q34 Q35 I36 L59I6-V32 HydrophobicContact CG2-CG1 4.07Å; N9-V32 HydrophobicContact CB-CG2 3.45Å; N9-V32 VanDerWaalsContact CB-CG2 3.45Å; A10-V32 HydrophobicContact CB-CG1 4.32Å; A10-V32 HydrophobicContact CB-CG2 4.35Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 3.42Å; Y28-V32 PolarHBondContact O-N 3.37Å; Y29-V32 PolarHBondContact O-N 2.87Å; V32-Q34 VanDerWaalsContact C-N 3.3Å; V32-Q34 PolarHBondContact O-N 3.14Å; V32-Q35 PolarHBondContact O-N 2.89Å; V32-I36 HydrophobicContact CG1-CD1 3.7Å; V32-I36 HydrophobicContact CG1-CG1 4.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 2.92Å; V32-L59 HydrophobicContact CG1-CD1 3.8Å
33I89.8Confident86.8Confident23 Ų2357.1 Ų57.112%0.11830%0.297CS..Hα-helixtrans-60.5-41.4178.8-69165.9000110.8Y29 Q30 H37 R56 L59 Y63Y29-I33 VanDerWaalsContact O-CG1 3.26Å; Y29-I33 WeakPolarHBondContact O-CG1 3.32Å; Y29-I33 PolarHBondContact O-N 3.29Å; Q30-I33 PolarHBondContact O-N 3.27Å; I33-H37 WeakPolarHBondContact O-CB 3.29Å; I33-H37 PolarHBondContact O-N 3.18Å; I33-R56 HydrophobicContact CG2-CG 4.32Å; I33-L59 HydrophobicContact CG1-CB 4.43Å; I33-Y63 HydrophobicContact CD1-CG 4.28Å
34Q88.1Confident86.2Confident121 Ų12163.7 Ų63.757%0.56531%0.313SS*.Hα-helixtrans-67.1-40.4176.1-72.41791.100112.5Q30 G31 V32 H37 K38Q30-Q34 WeakPolarHBondContact O-CG 3.18Å; Q30-Q34 PolarHBondContact O-N 3.38Å; Q30-Q34 VanDerWaalsContact O-N 3.12Å; G31-Q34 PolarHBondContact O-N 2.84Å; V32-Q34 VanDerWaalsContact C-N 3.3Å; V32-Q34 PolarHBondContact O-N 3.14Å; Q34-H37 PolarHBondContact O-N 2.93Å; Q34-K38 WeakPolarHBondContact O-CB 3.3Å; Q34-K38 PolarHBondContact O-N 3.32Å
35Q86.7Confident86.1Confident66 Ų6665.3 Ų65.331%0.30832%0.319SS..Hα-helixtrans-64.8-43.1176.4-73.31765.900111.8I6 G31 V32 H37 K38 H39I6-Q35 HydrophobicContact CD1-CB 4.36Å; I6-Q35 HydrophobicContact CG1-CB 4.19Å; G31-Q35 VanDerWaalsContact O-CG 3.29Å; G31-Q35 WeakPolarHBondContact O-CG 3.25Å; G31-Q35 PolarHBondContact O-N 2.9Å; V32-Q35 PolarHBondContact O-N 2.89Å; Q35-H37 VanDerWaalsContact C-N 3.35Å; Q35-K38 PolarHBondContact O-N 3.15Å; Q35-H39 WeakPolarHBondContact O-CB 3.38Å; Q35-H39 PolarHBondContact O-N 3.34Å
36I86Confident85.6Confident2 Ų270 Ų701%0.0135%0.349CS..Hα-helixtrans-64.9-40175.3-68.5173.1000110.8I6 V32 H39 S40 W52 R56 L59I6-I36 HydrophobicContact CG2-CD1 4.2Å; I6-I36 HydrophobicContact CG2-CG1 3.89Å; V32-I36 HydrophobicContact CG1-CD1 3.7Å; V32-I36 HydrophobicContact CG1-CG1 4.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.31Å; V32-I36 PolarHBondContact O-N 2.92Å; I36-H39 PolarHBondContact O-N 3.3Å; I36-S40 VanDerWaalsContact O-CB 3.31Å; I36-S40 WeakPolarHBondContact O-CB 3.19Å; I36-S40 PolarHBondContact O-N 3.32Å; I36-W52 HydrophobicContact CD1-CZ3 4.47Å; I36-W52 HydrophobicContact CG1-CE3 4.28Å; I36-W52 HydrophobicContact CG1-CZ3 4.09Å; I36-W52 HydrophobicContact CG2-CE3 3.89Å; I36-R56 HydrophobicContact CG2-CB 3.88Å; I36-R56 HydrophobicContact CG2-CG 4.43Å; I36-L59 HydrophobicContact CD1-CD1 3.34Å
37H85.6Confident85.1Confident72 Ų7272 Ų7233%0.33337%0.368SS..Hα-helixtrans-61.4-47.5176.1-175.468.2000111.9I33 Q34 Q35 H39 S40 Q41 R56I33-H37 WeakPolarHBondContact O-CB 3.29Å; I33-H37 PolarHBondContact O-N 3.18Å; Q34-H37 PolarHBondContact O-N 2.93Å; Q35-H37 VanDerWaalsContact C-N 3.35Å; H37-H39 VanDerWaalsContact C-N 3.31Å; H37-H39 PolarHBondContact O-N 2.69Å; H37-S40 PolarHBondContact O-N 3.35Å; H37-Q41 PolarHBondContact NE2-NE2 3.47Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 3.37Å; H37-Q41 VanDerWaalsContact O-N 3.12Å; H37-R56 PolarHBondContact ND1-NH1 3.42Å
38K84.8Confident84.6Confident132 Ų13270.9 Ų70.957%0.57436%0.358SS*.Hα-helixtrans-63.8-36.7176.4-168.1174.2174.9178.70111.9M1 Q34 Q35 S42M1-K38 HydrophobicContact CE-CD 3.55Å; M1-K38 HydrophobicContact CE-CG 3.86Å; Q34-K38 WeakPolarHBondContact O-CB 3.3Å; Q34-K38 PolarHBondContact O-N 3.32Å; Q35-K38 PolarHBondContact O-N 3.15Å; K38-S42 PolarHBondContact O-N 2.84Å
39H81.9Confident84.2Confident30 Ų3071.2 Ų71.214%0.13936%0.361CS..Hα-helixtrans-67.5-45.4175.4-16960.1000111.8Q35 I36 H37 Q41 S42 L43 W52Q35-H39 WeakPolarHBondContact O-CB 3.38Å; Q35-H39 PolarHBondContact O-N 3.34Å; I36-H39 PolarHBondContact O-N 3.3Å; H37-H39 VanDerWaalsContact C-N 3.31Å; H37-H39 PolarHBondContact O-N 2.69Å; H39-Q41 VanDerWaalsContact C-N 3.27Å; H39-Q41 PolarHBondContact O-N 2.79Å; H39-S42 WeakPolarHBondContact O-CB 3.36Å; H39-S42 PolarHBondContact O-N 3.37Å; H39-L43 WeakPolarHBondContact O-CG 3.38Å; H39-L43 PolarHBondContact O-N 2.91Å; H39-W52 AromaticContact CD2-CD2 3.93Å; H39-W52 AromaticContact CD2-CE2 3.6Å; H39-W52 AromaticContact CD2-CZ2 3.76Å; H39-W52 AromaticContact CD2-NE1 3.92Å; H39-W52 AromaticContact NE2-CE2 3.85Å; H39-W52 AromaticContact NE2-CZ2 3.84Å; H39-W52 AromaticContact NE2-NE1 3.93Å
40S80.8Confident84Confident9 Ų975 Ų756%0.06339%0.385CS..Hα-helixtrans-59.4-34.3177.6-175.40000112.9I36 H37 S42I36-S40 VanDerWaalsContact O-CB 3.31Å; I36-S40 WeakPolarHBondContact O-CB 3.19Å; I36-S40 PolarHBondContact O-N 3.32Å; H37-S40 PolarHBondContact O-N 3.35Å; S40-S42 VanDerWaalsContact C-N 3.35Å
41Q80.6Confident83.7Confident134 Ų13477.1 Ų77.163%0.62639%0.393SS*.Hα-helixtrans-71.8-27174.9-71-178-3.200113.5H37 H39H37-Q41 PolarHBondContact NE2-NE2 3.47Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 3.37Å; H37-Q41 VanDerWaalsContact O-N 3.12Å; H39-Q41 VanDerWaalsContact C-N 3.27Å; H39-Q41 PolarHBondContact O-N 2.79Å
42S80.6Confident83.6Confident93 Ų9378 Ų7865%0.6539%0.388SS*.Hα-helixtrans-83.9-10.2-179.8-174.50000113.5K38 H39 S40K38-S42 PolarHBondContact O-N 2.84Å; H39-S42 WeakPolarHBondContact O-CB 3.36Å; H39-S42 PolarHBondContact O-N 3.37Å; S40-S42 VanDerWaalsContact C-N 3.35Å
43L80.3Confident83.4Confident42 Ų4282.6 Ų82.622%0.2241%0.41CS..  trans-86.6129.5-176.5-68.7171.1000111.4H39 W52H39-L43 WeakPolarHBondContact O-CG 3.38Å; H39-L43 PolarHBondContact O-N 2.91Å; L43-W52 HydrophobicContact CD1-CG 4.03Å
44R75.2Confident83.3Confident251 Ų25186.9 Ų86.995%0.94743%0.429SS*.  trans-88-19.7177.4-65.9-177.7-179.2175.9-0.2113.5
45D85.1Confident83.2Confident74 Ų7484.6 Ų84.640%0.39642%0.421SS..  trans-86.5119.7-178.3-179.7-1.6000111.3A47 L48 K49D45-A47 PolarHBondContact O-N 3.18Å; D45-A47 PolarHBondContact OD1-N 3.06Å; D45-L48 HydrophobicContact CB-CB 4.28Å; D45-L48 HydrophobicContact CB-CD1 4.16Å; D45-L48 HydrophobicContact CB-CG 4.45Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.49Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; D45-K49 WeakPolarHBondContact O-CB 3.46Å; D45-K49 PolarHBondContact O-N 3.26Å; D45-K49 VanDerWaalsContact O-N 3.11Å
46P80.1Confident83.2Confident99 Ų9985.9 Ų85.964%0.64342%0.422SS*.Hα-helixtrans-64.6-32.7-18024-31.9000113.8K49 V50P46-K49 PolarHBondContact O-N 3.2Å; P46-V50 WeakPolarHBondContact O-CG2 3.47Å; P46-V50 PolarHBondContact O-N 3.44Å; P46-V50 VanDerWaalsContact O-N 3.16Å
47A81.4Confident83.4Confident61 Ų6191.5 Ų91.550%0.50445%0.449SS..Hα-helixtrans-71.7-40.9-177.800000111.9D45 K49 V50 K51D45-A47 PolarHBondContact O-N 3.18Å; D45-A47 PolarHBondContact OD1-N 3.06Å; A47-K49 VanDerWaalsContact C-N 3.33Å; A47-V50 PolarHBondContact O-N 3.33Å; A47-K51 PolarHBondContact O-N 3.24Å
48L79.7Confident83.6Confident72 Ų7292.6 Ų92.638%0.37745%0.454SS..Hα-helixtrans-67.5-36.8173.5-72.8172.6000111.4D45 V50 K51 W52D45-L48 HydrophobicContact CB-CB 4.28Å; D45-L48 HydrophobicContact CB-CD1 4.16Å; D45-L48 HydrophobicContact CB-CG 4.45Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.49Å; D45-L48 WeakPolarHBondContact OD2-CG 3.44Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.47Å; L48-K51 PolarHBondContact O-N 2.85Å; L48-W52 PolarHBondContact O-N 2.75Å
49K82Confident83.8Confident87 Ų8786.6 Ų86.638%0.37843%0.428SS..Hα-helixtrans-60.1-41.6177.4-166.8174.3-177.1176.20112.2D45 P46 A47 W52 Q53D45-K49 WeakPolarHBondContact O-CB 3.46Å; D45-K49 PolarHBondContact O-N 3.26Å; D45-K49 VanDerWaalsContact O-N 3.11Å; P46-K49 PolarHBondContact O-N 3.2Å; A47-K49 VanDerWaalsContact C-N 3.33Å; K49-W52 PolarHBondContact O-N 2.77Å; K49-Q53 WeakPolarHBondContact O-CB 3.06Å; K49-Q53 VanDerWaalsContact O-CG 3.27Å; K49-Q53 WeakPolarHBondContact O-CG 3.24Å; K49-Q53 PolarHBondContact O-N 2.96Å
50V86.1Confident84.2Confident87 Ų8787.5 Ų87.553%0.52744%0.436SS..Hα-helixtrans-62.3-45.1174.9173.40000111.2P46 A47 L48 W52 Q53 Q54P46-V50 WeakPolarHBondContact O-CG2 3.47Å; P46-V50 PolarHBondContact O-N 3.44Å; P46-V50 VanDerWaalsContact O-N 3.16Å; A47-V50 PolarHBondContact O-N 3.33Å; L48-V50 VanDerWaalsContact C-N 3.32Å; L48-V50 PolarHBondContact O-N 3.47Å; V50-W52 PolarHBondContact O-N 3.42Å; V50-Q53 WeakPolarHBondContact O-CB 3.2Å; V50-Q53 PolarHBondContact O-N 3.18Å; V50-Q54 PolarHBondContact O-N 3.44Å
51K85.3Confident84.8Confident137 Ų13792 Ų9260%0.59646%0.456SS*.Hα-helixtrans-60.6-44.4177.1-69.8-177.4179.5-178.60112.5A47 L48 Q53 Q54 L55A47-K51 PolarHBondContact O-N 3.24Å; L48-K51 PolarHBondContact O-N 2.85Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.09Å; K51-Q54 PolarHBondContact O-N 3.43Å; K51-L55 WeakPolarHBondContact O-CB 3.36Å; K51-L55 PolarHBondContact O-N 3.22Å
52W85.4Confident85.2Confident44 Ų4488 Ų8817%0.16744%0.437CS..Hα-helixtrans-68.8-28.9177-78105.8000113.1L3 I36 H39 L43 L48 K49 V50 R56L3-W52 HydrophobicContact CD2-CH2 3.36Å; L3-W52 HydrophobicContact CD2-CZ2 3.42Å; L3-W52 VanDerWaalsContact CD2-CZ2 3.42Å; I36-W52 HydrophobicContact CD1-CZ3 4.47Å; I36-W52 HydrophobicContact CG1-CE3 4.28Å; I36-W52 HydrophobicContact CG1-CZ3 4.09Å; I36-W52 HydrophobicContact CG2-CE3 3.89Å; H39-W52 AromaticContact CD2-CD2 3.93Å; H39-W52 AromaticContact CD2-CE2 3.6Å; H39-W52 AromaticContact CD2-CZ2 3.76Å; H39-W52 AromaticContact CD2-NE1 3.92Å; H39-W52 AromaticContact NE2-CE2 3.85Å; H39-W52 AromaticContact NE2-CZ2 3.84Å; H39-W52 AromaticContact NE2-NE1 3.93Å; L43-W52 HydrophobicContact CD1-CG 4.03Å; L48-W52 PolarHBondContact O-N 2.75Å; K49-W52 PolarHBondContact O-N 2.77Å; V50-W52 PolarHBondContact O-N 3.42Å; W52-R56 WeakPolarHBondContact O-CB 3.39Å; W52-R56 PolarHBondContact O-N 3.31Å
53Q85.4Confident85.7Confident98 Ų9885.4 Ų85.446%0.45841%0.414SS..Hα-helixtrans-69.2-42.2171.7-78.3175.1-27.700111.7K49 V50 K51 R56 Q57K49-Q53 WeakPolarHBondContact O-CB 3.06Å; K49-Q53 VanDerWaalsContact O-CG 3.27Å; K49-Q53 WeakPolarHBondContact O-CG 3.24Å; K49-Q53 PolarHBondContact O-N 2.96Å; V50-Q53 WeakPolarHBondContact O-CB 3.2Å; V50-Q53 PolarHBondContact O-N 3.18Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.09Å; Q53-R56 WeakPolarHBondContact O-CB 3.38Å; Q53-R56 PolarHBondContact O-N 2.98Å; Q53-Q57 PolarHBondContact O-N 3.43Å
54Q88.4Confident86.2Confident113 Ų11388.1 Ų88.153%0.52843%0.425SS..Hα-helixtrans-62.5-47.2175-175.1175.71.100111.5V50 K51 R56 Q57 E58V50-Q54 PolarHBondContact O-N 3.44Å; K51-Q54 PolarHBondContact O-N 3.43Å; Q54-R56 VanDerWaalsContact C-N 3.26Å; Q54-R56 PolarHBondContact O-N 2.99Å; Q54-Q57 WeakPolarHBondContact O-CA 3.17Å; Q54-Q57 WeakPolarHBondContact O-CB 3.43Å; Q54-Q57 PolarHBondContact O-N 3.22Å; Q54-E58 PolarHBondContact O-N 2.93Å
55L86Confident87Confident74 Ų7482.4 Ų82.439%0.38741%0.409SS..Hα-helixtrans-62.4-35.1178.3-136.9160.6000112.1K51 L59K51-L55 WeakPolarHBondContact O-CB 3.36Å; K51-L55 PolarHBondContact O-N 3.22Å; L55-L59 HydrophobicContact CD2-CD1 3.88Å; L55-L59 HydrophobicContact CD2-CG 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.41Å; L55-L59 VanDerWaalsContact O-N 3.15Å
56R87.3Confident87.2Confident92 Ų9279.4 Ų79.435%0.34739%0.393SS..Hα-helixtrans-64.9-40.3171.9-177.9-177.3168.9-156.8-0.4111.6I33 I36 H37 W52 Q53 Q54 L59 T60I33-R56 HydrophobicContact CG2-CG 4.32Å; I36-R56 HydrophobicContact CG2-CB 3.88Å; I36-R56 HydrophobicContact CG2-CG 4.43Å; H37-R56 PolarHBondContact ND1-NH1 3.42Å; W52-R56 WeakPolarHBondContact O-CB 3.39Å; W52-R56 PolarHBondContact O-N 3.31Å; Q53-R56 WeakPolarHBondContact O-CB 3.38Å; Q53-R56 PolarHBondContact O-N 2.98Å; Q54-R56 VanDerWaalsContact C-N 3.26Å; Q54-R56 PolarHBondContact O-N 2.99Å; R56-L59 PolarHBondContact O-N 2.98Å; R56-T60 WeakPolarHBondContact O-CB 3.39Å; R56-T60 PolarHBondContact O-N 3.48Å; R56-T60 PolarHBondContact O-OG1 2.96Å
57Q90.3Very high87.7Confident121 Ų12179.2 Ų79.257%0.56538%0.382SS*.Hα-helixtrans-63.7-47.7179.6-174.9175.6-11.200110.6Q53 Q54 L59 T60 E61Q53-Q57 PolarHBondContact O-N 3.43Å; Q54-Q57 WeakPolarHBondContact O-CA 3.17Å; Q54-Q57 WeakPolarHBondContact O-CB 3.43Å; Q54-Q57 PolarHBondContact O-N 3.22Å; Q57-L59 PolarHBondContact O-N 3.34Å; Q57-T60 WeakPolarHBondContact O-CB 3.29Å; Q57-T60 PolarHBondContact O-N 3.22Å; Q57-E61 PolarHBondContact O-N 3.26Å
58E89.8Confident88.1Confident95 Ų9580 Ų8044%0.44438%0.384SS..Hα-helixtrans-56.8-46.5175.7-68.7172-170.500111.9Q54 T60 E61 E62Q54-E58 PolarHBondContact O-N 2.93Å; E58-T60 VanDerWaalsContact C-N 3.28Å; E58-T60 PolarHBondContact O-N 2.89Å; E58-E61 PolarHBondContact O-N 3.41Å; E58-E62 PolarHBondContact O-N 3.45Å
59L88.3Confident88.6Confident6 Ų679.9 Ų79.93%0.03138%0.383CS..Hα-helixtrans-68.5-26.3177.3-73169.1000113.6Y29 V32 I33 I36 L55 R56 Q57 Y63Y29-L59 HydrophobicContact CD1-CD2 4.39Å; Y29-L59 HydrophobicContact CE1-CD2 4.11Å; V32-L59 HydrophobicContact CG1-CD1 3.8Å; I33-L59 HydrophobicContact CG1-CB 4.43Å; I36-L59 HydrophobicContact CD1-CD1 3.34Å; L55-L59 HydrophobicContact CD2-CD1 3.88Å; L55-L59 HydrophobicContact CD2-CG 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.41Å; L55-L59 VanDerWaalsContact O-N 3.15Å; R56-L59 PolarHBondContact O-N 2.98Å; Q57-L59 PolarHBondContact O-N 3.34Å; L59-Y63 WeakPolarHBondContact O-CB 3.4Å; L59-Y63 PolarHBondContact O-N 3.21Å
60T91.3Very high88.8Confident48 Ų4877.8 Ų77.829%0.29438%0.375SS..Hα-helixtrans-74.7-36.1175-54.60000110.6R56 Q57 E58 Y63 E64R56-T60 WeakPolarHBondContact O-CB 3.39Å; R56-T60 PolarHBondContact O-N 3.48Å; R56-T60 PolarHBondContact O-OG1 2.96Å; Q57-T60 WeakPolarHBondContact O-CB 3.29Å; Q57-T60 PolarHBondContact O-N 3.22Å; E58-T60 VanDerWaalsContact C-N 3.28Å; E58-T60 PolarHBondContact O-N 2.89Å; T60-Y63 WeakPolarHBondContact O-CB 3.45Å; T60-Y63 PolarHBondContact O-N 3.24Å; T60-E64 PolarHBondContact O-N 3.45Å
61E91.7Very high88.8Confident105 Ų10575.1 Ų75.149%0.49137%0.366SS..Hα-helixtrans-64.8-44.8172.7-70.9172.7-166.700111.4Q57 E58 Y63 E64 Q65Q57-E61 PolarHBondContact O-N 3.26Å; E58-E61 PolarHBondContact O-N 3.41Å; E61-Y63 VanDerWaalsContact C-N 3.3Å; E61-Y63 PolarHBondContact O-N 3.44Å; E61-E64 PolarHBondContact O-N 3.35Å; E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 3Å
62E88.9Confident88.8Confident50 Ų5071.7 Ų71.723%0.23436%0.356CS..Hα-helixtrans-58.9-41.8173-72.5-179.3-167.400111.9R14 Y29 E58 Q65 V66R14-E62 IonicContact CZ-OE1 2.68Å; R14-E62 IonicContact CZ-OE2 2.85Å; R14-E62 IonicContact NE-OE1 3.47Å; R14-E62 IonicContact NE-OE2 3.56Å; R14-E62 PolarHBondContact NE-OE2 3.26Å; R14-E62 VanDerWaalsContact NH2-CD 3.3Å; R14-E62 IonicContact NH2-OE1 2.76Å; R14-E62 PolarHBondContact NH2-OE1 3.41Å; R14-E62 IonicContact NH2-OE2 3.01Å; R14-E62 PolarHBondContact NH2-OE2 3.03Å; Y29-E62 HydrophobicContact CE1-CB 4.1Å; Y29-E62 PolarHBondContact OH-OE2 3.28Å; E58-E62 PolarHBondContact O-N 3.45Å; E62-Q65 PolarHBondContact O-N 3.18Å; E62-V66 WeakPolarHBondContact O-CG2 3.32Å; E62-V66 PolarHBondContact O-N 3.44Å; E62-V66 VanDerWaalsContact O-N 3.09Å
63Y91.6Very high88.7Confident38 Ų3873.3 Ų73.315%0.14937%0.368CS..Hα-helixtrans-61.7-45.3176.8170.7-96.8000112.9V26 Q30 I33 L59 T60 E61 Q65 V66 K67V26-Y63 HydrophobicContact CB-CE2 4.33Å; V26-Y63 HydrophobicContact CG1-CE2 3.61Å; Q30-Y63 HydrophobicContact CB-CE2 4.41Å; I33-Y63 HydrophobicContact CD1-CG 4.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.4Å; L59-Y63 PolarHBondContact O-N 3.21Å; T60-Y63 WeakPolarHBondContact O-CB 3.45Å; T60-Y63 PolarHBondContact O-N 3.24Å; E61-Y63 VanDerWaalsContact C-N 3.3Å; E61-Y63 PolarHBondContact O-N 3.44Å; Y63-Q65 VanDerWaalsContact C-N 3.33Å; Y63-Q65 PolarHBondContact O-N 3.33Å; Y63-V66 PolarHBondContact O-N 3.35Å; Y63-K67 HydrophobicContact CE1-CD 4.39Å; Y63-K67 WeakPolarHBondContact O-CB 3.4Å; Y63-K67 PolarHBondContact O-N 2.81Å
64E91.8Very high88.6Confident99 Ų9974 Ų7446%0.46337%0.371SS..Hα-helixtrans-66.8-34.2178.2-71.9-61.9152.600112T60 E61 K67 S68T60-E64 PolarHBondContact O-N 3.45Å; E61-E64 PolarHBondContact O-N 3.35Å; E64-K67 PolarHBondContact O-N 3.38Å; E64-S68 WeakPolarHBondContact O-CB 3.3Å; E64-S68 PolarHBondContact O-N 3.46Å
65Q90.9Very high88.2Confident131 Ų13171.4 Ų71.461%0.61237%0.365SS*.Hα-helixtrans-62.2-46.8172.9-71.5174.76.300111.7E61 E62 Y63 K67 S68 I69E61-Q65 WeakPolarHBondContact O-CG 3.37Å; E61-Q65 PolarHBondContact O-N 3Å; E62-Q65 PolarHBondContact O-N 3.18Å; Y63-Q65 VanDerWaalsContact C-N 3.33Å; Y63-Q65 PolarHBondContact O-N 3.33Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.16Å; Q65-S68 WeakPolarHBondContact O-CB 3.46Å; Q65-S68 PolarHBondContact O-N 3.18Å; Q65-I69 WeakPolarHBondContact O-CG1 3.46Å; Q65-I69 PolarHBondContact O-N 3.45Å
66V89.3Confident87.7Confident10 Ų1075.2 Ų75.26%0.06138%0.379CS..Hα-helixtrans-60.6-41176.8172.30000111A17 Y22 V26 Y29 E62 Y63 I69 M70A17-V66 HydrophobicContact CB-CG2 4.18Å; Y22-V66 HydrophobicContact CD1-CG1 4.11Å; V26-V66 HydrophobicContact CG2-CG1 3.79Å; Y29-V66 HydrophobicContact CE2-CG2 4.12Å; E62-V66 WeakPolarHBondContact O-CG2 3.32Å; E62-V66 PolarHBondContact O-N 3.44Å; E62-V66 VanDerWaalsContact O-N 3.09Å; Y63-V66 PolarHBondContact O-N 3.35Å; V66-I69 PolarHBondContact O-N 3.49Å; V66-M70 PolarHBondContact O-N 2.75Å
67K90.8Very high86.9Confident95 Ų9579.1 Ų79.141%0.41340%0.398SS..Hα-helixtrans-67.8-36.5177.4-168.1-178.7176-167.50112.6Y63 E64 Q65 M70 G71Y63-K67 HydrophobicContact CE1-CD 4.39Å; Y63-K67 WeakPolarHBondContact O-CB 3.4Å; Y63-K67 PolarHBondContact O-N 2.81Å; E64-K67 PolarHBondContact O-N 3.38Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.16Å; K67-M70 WeakPolarHBondContact O-CB 3.33Å; K67-M70 PolarHBondContact O-N 3.02Å; K67-G71 PolarHBondContact O-N 3.25Å
68S91.1Very high85.4Confident77 Ų7777.6 Ų77.654%0.53840%0.402SS..Hα-helixtrans-63.1-44.9173.7178.60000111.3E64 Q65 M70 G71 T72E64-S68 WeakPolarHBondContact O-CB 3.3Å; E64-S68 PolarHBondContact O-N 3.46Å; Q65-S68 WeakPolarHBondContact O-CB 3.46Å; Q65-S68 PolarHBondContact O-N 3.18Å; S68-M70 VanDerWaalsContact C-N 3.33Å; S68-M70 PolarHBondContact O-N 3.02Å; S68-G71 PolarHBondContact O-N 2.88Å; S68-T72 WeakPolarHBondContact O-CG2 3.48Å; S68-T72 PolarHBondContact O-N 2.94Å
69I88.4Confident83.5Confident70 Ų7080.4 Ų80.436%0.35942%0.415SS..Hα-helixtrans-58.9-46.4174.9-66.3165.7000110.3Y22 Q65 V66 G71 T72 L73Y22-I69 HydrophobicContact CD1-CG2 4.39Å; Y22-I69 HydrophobicContact CD2-CG2 4.46Å; Y22-I69 HydrophobicContact CE1-CG2 3.92Å; Y22-I69 HydrophobicContact CE2-CG2 4Å; Q65-I69 WeakPolarHBondContact O-CG1 3.46Å; Q65-I69 PolarHBondContact O-N 3.45Å; V66-I69 PolarHBondContact O-N 3.49Å; I69-G71 VanDerWaalsContact C-N 3.34Å; I69-G71 PolarHBondContact O-N 3.16Å; I69-T72 WeakPolarHBondContact CA-OG1 3.45Å; I69-T72 PolarHBondContact O-N 3.08Å; I69-T72 PolarHBondContact O-OG1 2.96Å; I69-L73 HydrophobicContact CG2-CD1 4.17Å; I69-L73 WeakPolarHBondContact O-CG 3.4Å; I69-L73 PolarHBondContact O-N 3.19Å
70M86.7Confident81.5Confident43 Ų4388.9 Ų88.921%0.21245%0.451CS..Hα-helixtrans-57.8-45.1176-166.7-179.882.500112.1V66 K67 S68 T72 L73 E74V66-M70 PolarHBondContact O-N 2.75Å; K67-M70 WeakPolarHBondContact O-CB 3.33Å; K67-M70 PolarHBondContact O-N 3.02Å; S68-M70 VanDerWaalsContact C-N 3.33Å; S68-M70 PolarHBondContact O-N 3.02Å; M70-T72 PolarHBondContact O-N 3.48Å; M70-L73 PolarHBondContact O-N 2.85Å; M70-E74 WeakPolarHBondContact O-CG 3.26Å; M70-E74 PolarHBondContact O-N 3.09Å
71G86.2Confident79.1Confident32 Ų3292.3 Ų92.333%0.3347%0.474SS..Hα-helixtrans-62.9-38.7176.400000113.6K67 S68 I69 L73 E74 S75K67-G71 PolarHBondContact O-N 3.25Å; S68-G71 PolarHBondContact O-N 2.88Å; I69-G71 VanDerWaalsContact C-N 3.34Å; I69-G71 PolarHBondContact O-N 3.16Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-E74 PolarHBondContact O-N 3.42Å; G71-S75 PolarHBondContact O-N 2.9Å
72T85.6Confident76.7Confident64 Ų6493.6 Ų93.639%0.39349%0.489SS..Hα-helixtrans-65-38.4173.858.40000112.1S68 I69 M70 E74 S75 F76S68-T72 WeakPolarHBondContact O-CG2 3.48Å; S68-T72 PolarHBondContact O-N 2.94Å; I69-T72 WeakPolarHBondContact CA-OG1 3.45Å; I69-T72 PolarHBondContact O-N 3.08Å; I69-T72 PolarHBondContact O-OG1 2.96Å; M70-T72 PolarHBondContact O-N 3.48Å; T72-E74 VanDerWaalsContact C-N 3.34Å; T72-S75 WeakPolarHBondContact CA-OG 3.07Å; T72-S75 PolarHBondContact O-N 2.82Å; T72-S75 PolarHBondContact O-OG 3.32Å; T72-F76 WeakPolarHBondContact O-CD2 3.3Å; T72-F76 PolarHBondContact O-N 3.24Å
73L83.3Confident74.2Confident79 Ų7998.7 Ų98.741%0.41452%0.518SS..Hα-helixtrans-68.4-34.5176.1-69.4172.5000112.1Y22 I69 M70 G71 K77Y22-L73 HydrophobicContact CD2-CD1 3.68Å; Y22-L73 HydrophobicContact CE2-CD1 3.5Å; Y22-L73 VanDerWaalsContact CE2-CD1 3.5Å; I69-L73 HydrophobicContact CG2-CD1 4.17Å; I69-L73 WeakPolarHBondContact O-CG 3.4Å; I69-L73 PolarHBondContact O-N 3.19Å; M70-L73 PolarHBondContact O-N 2.85Å; G71-L73 VanDerWaalsContact C-N 3.35Å; L73-K77 PolarHBondContact O-N 2.92Å
74E82.8Confident71.7Confident111 Ų111104 Ų10452%0.51955%0.547SS..Hα-helixtrans-69.3-36.9173.1-74.2-179.1163.200112.3M70 G71 T72 F76 K77 S78M70-E74 WeakPolarHBondContact O-CG 3.26Å; M70-E74 PolarHBondContact O-N 3.09Å; G71-E74 PolarHBondContact O-N 3.42Å; T72-E74 VanDerWaalsContact C-N 3.34Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.3Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.84Å; E74-S78 PolarHBondContact O-N 3.36Å
75S80.8Confident69.1Low60 Ų60107.2 Ų107.242%0.4257%0.567SS.*Hα-helixtrans-62.2-39175.757.70000112G71 T72 K77 S78 E79G71-S75 PolarHBondContact O-N 2.9Å; T72-S75 WeakPolarHBondContact CA-OG 3.07Å; T72-S75 PolarHBondContact O-N 2.82Å; T72-S75 PolarHBondContact O-OG 3.32Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.47Å; S75-S78 PolarHBondContact O-N 3.02Å; S75-S78 VanDerWaalsContact O-N 3.13Å; S75-S78 PolarHBondContact O-OG 3.06Å; S75-E79 PolarHBondContact O-N 3.47Å
76F75Confident66.4Low153 Ų153107 Ų10767%0.67157%0.574SS**Hα-helixtrans-65.6-25.7173.4-71.7-63.3000113.5T72 E74T72-F76 WeakPolarHBondContact O-CD2 3.3Å; T72-F76 PolarHBondContact O-N 3.24Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 3.3Å
77K70.4Confident64Low174 Ų174111.9 Ų111.976%0.75761%0.606SS**Hα-helixtrans-80.5-22.6173.9-71.2176-179.7176.60113L73 E74 S75L73-K77 PolarHBondContact O-N 2.92Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.84Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.47Å
78S60.1Low61.5Low90 Ų90114.5 Ų114.563%0.62962%0.624SS**Hα-helixtrans-83.3-23.9-178.373.10000113.8E74 S75 K80E74-S78 PolarHBondContact O-N 3.36Å; S75-S78 PolarHBondContact O-N 3.02Å; S75-S78 VanDerWaalsContact O-N 3.13Å; S75-S78 PolarHBondContact O-OG 3.06Å; S78-K80 VanDerWaalsContact C-N 3.29Å; S78-K80 PolarHBondContact O-N 2.93Å
79E49.2Very low59.2Low154 Ų154119.5 Ų119.572%0.7264%0.638SS**  trans-74.983168.5-74.1-170.1159.400109.9S75S75-E79 PolarHBondContact O-N 3.47Å
80K45Very low56.8Low184 Ų184127.4 Ų127.480%0.866%0.664SS**PPolyproline II helixtrans-64.3133.3157.1-73-175.2178.1-177.40107.9S78 V82S78-K80 VanDerWaalsContact C-N 3.29Å; S78-K80 PolarHBondContact O-N 2.93Å; K80-V82 PolarHBondContact O-N 2.95Å
81P42.2Very low54.8Low119 Ų119131.4 Ų131.477%0.77369%0.693SS**PPolyproline II helixtrans-59.4135.4173.624.5-31.2000109.1D83P81-D83 PolarHBondContact O-N 3.27Å
82V40.3Very low52.7Low133 Ų133139.1 Ų139.181%0.80672%0.721SS**PPolyproline II helixtrans-48.1125.3176.31780000109.5K80 I84K80-V82 PolarHBondContact O-N 2.95Å; V82-I84 PolarHBondContact O-N 3.43Å
83D36.8Very low51Low156 Ų156141.5 Ų141.583%0.83473%0.731SS**  trans-53.7102.3172.1-77.3-47.5000109.7P81 L85P81-D83 PolarHBondContact O-N 3.27Å; D83-L85 PolarHBondContact O-N 2.84Å
84I38.7Very low49.6Very low149 Ų149144 Ų14476%0.76475%0.752SS**  trans-72.3107.9161.5-62.8173.7000105.4V82 V86V82-I84 PolarHBondContact O-N 3.43Å; I84-V86 PolarHBondContact O-N 3.05Å
85L38.4Very low48.2Very low168 Ų168142.4 Ų142.488%0.8876%0.758SS**  trans-49.1102.1169.3-79.2151.2000110.1D83D83-L85 PolarHBondContact O-N 2.84Å
86V34.7Very low46.7Very low127 Ų127145.2 Ų145.277%0.7777%0.772SS**  trans-91.6119.5164.2179.50000107.4I84 L88I84-V86 PolarHBondContact O-N 3.05Å; V86-L88 PolarHBondContact O-N 3.2Å
87P37.1Very low45.6Very low112 Ų112149 Ų14973%0.72778%0.782SS**  trans-69.7124.8172.8-15.629.8000111.4
88L38.8Very low44.8Very low150 Ų150145.4 Ų145.479%0.78578%0.776SS**SBendtrans45.2109.5148.3-79.1148.9000119.6V86V86-L88 PolarHBondContact O-N 3.2Å
89E43.7Very low44.2Very low181 Ų181146.6 Ų146.685%0.84678%0.782SS**  trans34.9110.2141.7-67.2-179.1164.500118.6
90R37.9Very low44.1Very low237 Ų237145.2 Ų145.289%0.89479%0.786SS**  trans-117.7144.3148.1-74.3-173-171.1-173.73.4109.6
91P43Very low44.3Very low127 Ų127143.7 Ų143.783%0.82579%0.785SS**PPolyproline II helixtrans-67.9139.7-171.3-9.425.9000110.5D93P91-D93 PolarHBondContact O-N 3.28Å
92E43.1Very low44.1Very low194 Ų194143.4 Ų143.491%0.90778%0.783SS**PPolyproline II helixtrans-57.2121.6177-67.1-174.815400110.9P94E92-P94 WeakPolarHBondContact O-CD 3.49Å
93D49.3Very low44.3Very low113 Ų113143 Ų14360%0.60478%0.781SS**PPolyproline II helixtrans-77.8119.3171.9-168.5-16.9000108.9P91 A95P91-D93 PolarHBondContact O-N 3.28Å; D93-A95 PolarHBondContact O-N 3.34Å; D93-A95 PolarHBondContact OD1-N 3.14Å
94P54.7Low44.4Very low132 Ų132144 Ų14486%0.85778%0.78SS**THydrogen-bonded Turntrans-63.8-2.4-176.3-2031.3000115.6E92E92-P94 WeakPolarHBondContact O-CD 3.49Å
95A52.3Low44.4Very low78 Ų78145.4 Ų145.465%0.64578%0.783SS**THydrogen-bonded Turntrans-98.3-0.5-174.400000115.4D93 W97D93-A95 PolarHBondContact O-N 3.34Å; D93-A95 PolarHBondContact OD1-N 3.14Å; A95-W97 PolarHBondContact O-N 2.61Å
96V49.3Very low44.2Very low118 Ų118148.7 Ų148.772%0.71578%0.784SS**  trans-92.6104.8-179.3-174.60000110.3
97W52.2Low44.2Very low234 Ų234149.7 Ų149.789%0.88679%0.785SS**PPolyproline II helixtrans-69.6132.9172.4-126.4-85.6000110.2A95A95-W97 PolarHBondContact O-N 2.61Å
98P53.8Low44.1Very low98 Ų98150.1 Ų150.164%0.63679%0.788SS**PPolyproline II helixtrans-64.9148.617325-31.5000110.9
99P48.6Very low43.8Very low114 Ų114149 Ų14974%0.7479%0.787SS**PPolyproline II helixtrans-61.3143.8-179.724.7-32.8000111.1I101P99-I101 PolarHBondContact O-N 3.43Å
100P46.4Very low43.4Very low125 Ų125146.6 Ų146.681%0.81279%0.785SS**PPolyproline II helixtrans-63.2132.3-177.923.9-31.3000111
101I49.5Very low43.2Very low152 Ų152140.8 Ų140.878%0.77978%0.775SS**PPolyproline II helixtrans-64.2130.5179.3-46.4168000108.3P99 V103P99-I101 PolarHBondContact O-N 3.43Å; I101-V103 PolarHBondContact O-N 3.25Å
102P38.3Very low42.4Very low113 Ų113144 Ų14473%0.73478%0.776SS**PPolyproline II helixtrans-57.3128.5175.6-22.932.8000110.7E104P102-E104 PolarHBondContact O-N 3.36Å; P102-E104 VanDerWaalsContact O-N 3.15Å
103V43.6Very low41.8Very low124 Ų124145.8 Ų145.875%0.75277%0.774SS**  trans-67.4111.2-179.3-173.60000109I101 H105I101-V103 PolarHBondContact O-N 3.25Å; V103-H105 PolarHBondContact O-N 3.26Å
104E39.1Very low40.9Very low177 Ų177146.4 Ų146.483%0.82779%0.785SS**  trans-65.4113.8167.2-79.3-175153.200109.3P102 R106P102-E104 PolarHBondContact O-N 3.36Å; P102-E104 VanDerWaalsContact O-N 3.15Å; E104-R106 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 3.13Å
105H37.8Very low39.6Very low179 Ų179148.3 Ų148.383%0.82979%0.788SS**  trans-66.292.4168.6-75.5-56.1000109.9V103 N107V103-H105 PolarHBondContact O-N 3.26Å; H105-N107 PolarHBondContact O-N 2.88Å
106R34.9Very low38.5Very low238 Ų238150.6 Ų150.690%0.89880%0.799SS**PPolyproline II helixtrans-63.1120.8162.6-96.7-177.8170.7179.1-1.9109.5E104E104-R106 VanDerWaalsContact C-N 3.33Å; E104-R106 PolarHBondContact O-N 3.13Å
107N34.1Very low37.5Very low147 Ų147149 Ų14979%0.78680%0.798SS**PPolyproline II helixtrans-55.7136.1170-71.4-30.2000110.9H105 V109H105-N107 PolarHBondContact O-N 2.88Å; N107-V109 PolarHBondContact O-N 2.61Å
108P35.6Very low36.4Very low122 Ų122145.3 Ų145.379%0.79279%0.794SS**PPolyproline II helixtrans-69.4131176.725.7-30000111.1V110P108-V110 PolarHBondContact O-N 3.26Å
109V33.6Very low35.1Very low127 Ų127150 Ų15077%0.7781%0.805SS**PPolyproline II helixtrans-65.5122.6175.9174.60000110.1N107 V111N107-V109 PolarHBondContact O-N 2.61Å; V109-V111 HydrophobicContact CG1-CG2 4.33Å; V109-V111 PolarHBondContact O-N 3.29Å
110V33.2Very low34Very low130 Ų130153.2 Ų153.279%0.78881%0.81SS**  trans-73.9104.1170.7177.10000109.2P108 K112P108-V110 PolarHBondContact O-N 3.26Å; V110-K112 PolarHBondContact O-N 3.32Å
111V33.8Very low33.1Very low114 Ų114156.5 Ų156.569%0.69181%0.814SS**  trans-85.6107.1170.6179.70000109.1V109 R113V109-V111 HydrophobicContact CG1-CG2 4.33Å; V109-V111 PolarHBondContact O-N 3.29Å; V111-R113 PolarHBondContact O-N 2.62Å
112K27.9Very low31.9Very low195 Ų195159.1 Ų159.185%0.84881%0.814SS**PPolyproline II helixtrans-68.7123.1166.9-74.9180176.1177.10109.5V110V110-K112 PolarHBondContact O-N 3.32Å
113R29.7Very low31.4Very low231 Ų231163.7 Ų163.787%0.87282%0.822SS**PPolyproline II helixtrans-101.2141.4164.5-77-173.9176.8-173.50.1110.5V111V111-R113 PolarHBondContact O-N 2.62Å
114P30.4Very low30.4Very low126 Ų126165.1 Ų165.182%0.81882%0.821SS**PPolyproline II helixtrans-82.8155.4-176.232.8-33.8000113.4
115N26.8Very low29.8Very low173 Ų173161.7 Ų161.793%0.92582%0.816SS**PPolyproline II helixtrans-56.9139.3176.3-80.7-21.4000113.9
116S29.5Very low29.7Very low126 Ų126159.1 Ų159.188%0.88182%0.816SS**  trans-149.1144.6148.167.10000111.2
117A28.1Very low29.2Very low85 Ų85151.1 Ų151.170%0.70281%0.807SS**  trans-100.6149.3-163.500000113.2
118I28.8Very low29Very low156 Ų156149.9 Ų149.980%0.880%0.804SS**  trans59.7119143.5-60162.6000119
119K26.5Very low28.6Very low196 Ų196152.1 Ų152.185%0.85281%0.805SS**  -164.9123.6115-106.3175.6-175.2179.20112.4
120Q26.7Very low28.3Very low182 Ų182154.1 Ų154.185%0.8581%0.805SS**  trans-83.1141.6170.5-69.6172.5-18.900109.8
121H28.1Very low27.8Very low193 Ų193159 Ų15989%0.89481%0.809SS**  trans-130.1125.4155.8-102-77.3000110.7
122R24.2Very low27.4Very low208 Ų208157 Ų15779%0.78581%0.812SS**  trans-93.1148.1-177.4-168.8-177-170.8-175.82.5108.5
123K26.6Very low27.2Very low209 Ų209153 Ų15391%0.90982%0.815SS**  trans-130.7134.7153.1-104-175.7176.9-1790109.8
124E23.4Very low27Very low153 Ų153145.9 Ų145.972%0.71581%0.814SS**  trans-82.7141.1-165.7-69.3170.5130.800112.1
125S26.7Very low26.7Very low106 Ų106143.7 Ų143.774%0.74181%0.814SS**  76159.686.6-50.10000113.5
126P34.5Very low26.6Very low125 Ų125147.3 Ų147.381%0.81282%0.815SS**  cis-132.3158.821.333.5-11000115.1
127G25.6Very low26.4Very low70 Ų70145.1 Ų145.172%0.72280%0.804SS**  105.4130.163.400000108.2
128V29.9Very low26.3Very low120 Ų120149.4 Ų149.473%0.72781%0.81SS**  178.2129.868.9156.30000111.7
129Q27Very low26.2Very low170 Ų170148.4 Ų148.479%0.79481%0.811SS**  trans61.7122.7142-63.8163.42.700123.1
130H26.3Very low26.1Very low169 Ų169145.9 Ų145.978%0.78281%0.807SS**  64137.872.2-94.3-25.5000113.9
131R24.3Very low26.7Very low231 Ų231142.6 Ų142.687%0.87280%0.802SS**  cis-161159.813.6-95.3166169.3-174.9-5.1104
132G23.6Very low26.5Very low72 Ų72142.9 Ų142.974%0.74280%0.8SS**  cis150.8166.241.400000110.2
133A25.1Very low26.7Very low112 Ų112137.4 Ų137.493%0.92680%0.8SS**  trans70.2118.7155.900000122.1
134G24.6Very low26.5Very low82 Ų82135.7 Ų135.785%0.84580%0.795SS**  115107.2116.300000119.4
135G24.7Very low26.6Very low79 Ų79137.5 Ų137.581%0.81480%0.795SS**  91.8108.212400000121.4
136R24.9Very low26.5Very low249 Ų249140.4 Ų140.494%0.9480%0.797SS**  trans63.3123132.3-96179.6172.5172-2.5122.2
137A24.8Very low26Very low81 Ų81137.9 Ų137.967%0.66979%0.787SS**  90.4121.6121.200000121.1
138Q26.3Very low26Very low175 Ų175141.2 Ų141.282%0.81879%0.788SS**  trans57.2116.6134.3-72.1-177.8-13.900119.5
139T25.8Very low25.7Very low134 Ų134146.9 Ų146.982%0.82280%0.796SS**  164.8133.696.239.20000110.4
140N25.5Very low25.7Very low143 Ų143143.7 Ų143.777%0.76580%0.799SS**  trans-79159.6153.2-133.2-2.4000106.6
141P38.6Very low25.6Very low114 Ų114140.6 Ų140.674%0.7480%0.802SS**  -154.616258.137.6-15000118.6
142K25Very low25.6Very low198 Ų198139.5 Ų139.586%0.86180%0.804SS**  trans25.7128.5138.9-66.2-178.8172.4-177.80121.6
143A26.7Very low25.7Very low94 Ų94140.8 Ų140.878%0.77781%0.808SS**  -160.4116.4125.800000107.4
144E24.3Very low25.7Very low173 Ų173145.3 Ų145.381%0.80881%0.807SS**  35.4142.484.5-81.7-167.312800115.1
145R24.4Very low25.7Very low191 Ų191148.2 Ų148.272%0.72180%0.803SS**  cis-176.6151.4-21.9-150.8-176.9-179.8175.9-1.7102.6
146Q24.6Very low25.8Very low166 Ų166151.8 Ų151.878%0.77680%0.803SS**  trans70.3148.8157.1-77.1170.55.600117.2
147A24.7Very low26Very low73 Ų73148.6 Ų148.660%0.60380%0.796SS**  cis-176.1178.9-3.300000107.6
148N25.3Very low26.1Very low140 Ų140153.5 Ų153.575%0.74981%0.805SS**  trans86.6101.6160.1-64.7-21.4000116.1
149R24.3Very low26.2Very low239 Ų239149.3 Ų149.390%0.90281%0.809SS**  74.7105.676.1-84.8-175.4170-178.7-0.7111.4
150A25.8Very low26.2Very low103 Ų103152.5 Ų152.585%0.85181%0.811SS**  trans-154.7115138.400000109
151A25.1Very low26.2Very low103 Ų103155.1 Ų155.185%0.85182%0.816SS**  trans-69140169.900000110.1
152K24.7Very low25.7Very low208 Ų208155.9 Ų155.990%0.90482%0.818SS**  trans-147.1105155-128.7176.6-172.9176.70109
153A24.1Very low25.7Very low100 Ų100153.6 Ų153.683%0.82682%0.815SS**  trans-66.3133.1166.400000109.4
154K26.4Very low26Very low207 Ų207154.1 Ų154.190%0.981%0.811SS**  trans-143.9118.8151.6-102.6-171175.6-171.60108.7
155D24.5Very low26.3Very low143 Ų143154.1 Ų154.177%0.76582%0.815SS**  trans-57.7131.1168.1-169.328.9000109.9
156D27.2Very low26.5Very low153 Ų153149.6 Ų149.682%0.81882%0.819SS**  trans-151.5107.9153.8-125.1-18.5000109.7
157K27.9Very low27Very low182 Ų182150.6 Ų150.679%0.79182%0.824SS**  trans-68.1122.3169.4-86.4172.7171.1171.60109.1
158Q27.4Very low27.5Very low185 Ų185150.1 Ų150.186%0.86483%0.826SS**  trans-143.2117.4150.4-111.4159.551.700110.1
159G28.5Very low28.2Very low86 Ų86152.8 Ų152.889%0.88783%0.834SS**  trans-63.3133.2-174.500000112.1
160K26.4Very low29.6Very low202 Ų202148.6 Ų148.688%0.87883%0.825SS**  trans-107.7120.6167.9-143.3175-176.6-177.20107.9
161K25.4Very low31.2Very low197 Ų197151 Ų15186%0.85782%0.816SS**  trans-52135.4175.6-71.9174.9173.4-179.80109.8
162V26.4Very low33.2Very low130 Ų130152.5 Ų152.579%0.78880%0.803SS**  trans-83.7109.5175.8-170.60000106.6P164V162-P164 WeakPolarHBondContact O-CD 3.33Å
163D25.8Very low35.4Very low151 Ų151143.5 Ų143.581%0.80776%0.764SS**  trans-82.9116.5161.9-71.9-51.3000107.2
164P32.2Very low37.4Very low105 Ų105144.8 Ų144.868%0.68276%0.757SS**  trans-90.4108.5173.631.4-22.4000107.8V162V162-P164 WeakPolarHBondContact O-CD 3.33Å
165L32.2Very low39.2Very low172 Ų172135.8 Ų135.890%0.90172%0.723SS**  trans164.270.6156.2-86.7151.7000108.3
166A28.5Very low40.8Very low97 Ų97134.1 Ų134.180%0.80272%0.718SS**  trans-111.899.4157.100000105.8G168A166-G168 PolarHBondContact O-N 3.31Å
167E34.4Very low42.6Very low186 Ų186130.7 Ų130.787%0.86972%0.719SS**  trans-51.6122.8163.9-69.2-17615200107.6E169E167-E169 PolarHBondContact O-N 2.96Å
168G35.7Very low44.6Very low64 Ų64125 Ų12566%0.6669%0.693SS**  trans-54.9138.3-169.300000112.6A166 Q170A166-G168 PolarHBondContact O-N 3.31Å; G168-Q170 PolarHBondContact O-N 2.87Å; G168-Q170 VanDerWaalsContact O-N 3.08Å
169E39.7Very low47Very low195 Ų195121.5 Ų121.591%0.91168%0.68SS**  trans-44.2117.4170-74.7177.5143.700110E167 K171E167-E169 PolarHBondContact O-N 2.96Å; E169-K171 PolarHBondContact O-N 2.94Å
170Q54.3Low49.4Very low151 Ų151121.2 Ų121.271%0.70666%0.664SS**  trans-63.3110.8-179.8-65.9173.6-7.800108.2G168 K172G168-Q170 PolarHBondContact O-N 2.87Å; G168-Q170 VanDerWaalsContact O-N 3.08Å; Q170-K172 VanDerWaalsContact C-N 3.35Å; Q170-K172 PolarHBondContact O-N 3.44Å
171K59.1Low51.9Low155 Ų155117.9 Ų117.967%0.67466%0.656SS**  trans-62.4100.3165.7-72-176.7-178.9175.40107.4E169 F290 Y291E169-K171 PolarHBondContact O-N 2.94Å; K171-F290 HydrophobicContact CB-CE1 3.8Å; K171-F290 HydrophobicContact CB-CZ 4Å; K171-Y291 WeakPolarHBondContact O-CE1 3.44Å; K171-Y291 PolarHBondContact O-OH 2.94Å
172K66.7Low54.4Low134 Ų134110.2 Ų110.258%0.58362%0.624SS**  trans-83.7133.3172.5-130.9-175178.3-156.20108.3Q170 D174 D184 F290Q170-K172 VanDerWaalsContact C-N 3.35Å; Q170-K172 PolarHBondContact O-N 3.44Å; K172-D174 PolarHBondContact O-N 3.26Å; K172-D184 IonicContact NZ-OD1 2.7Å; K172-F290 WeakPolarHBondContact O-CZ 3.42Å
173F71.7Confident57.1Low19 Ų19104.2 Ų104.28%0.08359%0.588CS.*  trans-66.6118.5175.8-179-101.9000108.9G175 V183 L283 E286 M287 F290 Y291F173-G175 PolarHBondContact O-N 3.43Å; F173-V183 HydrophobicContact CD1-CG1 3.76Å; F173-V183 HydrophobicContact CD1-CG2 4.5Å; F173-L283 HydrophobicContact CD1-CD1 4.35Å; F173-L283 HydrophobicContact CE1-CD1 3.48Å; F173-L283 VanDerWaalsContact CE1-CD1 3.48Å; F173-L283 HydrophobicContact CZ-CD1 4.05Å; F173-E286 HydrophobicContact CE2-CB 4.44Å; F173-E286 HydrophobicContact CE2-CG 3.99Å; F173-E286 HydrophobicContact CZ-CB 4.13Å; F173-E286 HydrophobicContact CZ-CG 3.76Å; F173-M287 HydrophobicContact CD1-CG 3.84Å; F173-M287 HydrophobicContact CD2-CG 4.08Å; F173-M287 HydrophobicContact CE1-CG 3.95Å; F173-M287 HydrophobicContact CE2-CG 4.19Å; F173-M287 HydrophobicContact CG-CG 3.9Å; F173-M287 HydrophobicContact CZ-CG 4.13Å; F173-F290 HydrophobicContact CB-CD1 4.16Å; F173-F290 HydrophobicContact CB-CE1 4.29Å; F173-F290 HydrophobicContact CD2-CB 3.65Å; F173-F290 AromaticContact CD2-CD1 3.91Å; F173-F290 HydrophobicContact CD2-CD1 3.91Å; F173-F290 HydrophobicContact CD2-CD2 4.21Å; F173-F290 AromaticContact CD2-CG 3.68Å; F173-F290 HydrophobicContact CD2-CG 3.68Å; F173-F290 HydrophobicContact CE2-CB 4.01Å; F173-F290 HydrophobicContact CE2-CG 4.38Å; F173-Y291 HydrophobicContact CB-CE2 4.16Å; F173-Y291 PolarHBondContact N-OH 3.39Å
174D65.4Low59.8Low127 Ų12799 Ų9968%0.67956%0.561SS**  trans-83.791.6174.7-166.76.4000108.3K172 T176K172-D174 PolarHBondContact O-N 3.26Å; D174-T176 PolarHBondContact O-N 3.35Å
175G63.8Low62.1Low17 Ų1796.2 Ų96.218%0.17554%0.543CS..  trans-71.347.7-176.500000114.2F173 G177 Y178F173-G175 PolarHBondContact O-N 3.43Å; G175-G177 PolarHBondContact O-N 2.86Å; G175-Y178 PolarHBondContact O-N 2.91Å
176T57.4Low64.5Low109 Ų10988.6 Ų88.667%0.66950%0.503SS*.THydrogen-bonded Turntrans-58102.8178.849.70000111.1D174D174-T176 PolarHBondContact O-N 3.35Å
177G65.4Low67.1Low81 Ų8185.8 Ų85.884%0.83547%0.474SS*.THydrogen-bonded Turntrans113.6-7.5-179.700000115.6G175G175-G177 PolarHBondContact O-N 2.86Å
178Y70.3Confident69.2Low62 Ų6286.3 Ų86.324%0.24347%0.468CS..SBendtrans-114.2157.3173.4-61-89.4000110.7G175 S180 K279 L283 E286G175-Y178 PolarHBondContact O-N 2.91Å; Y178-S180 PolarHBondContact O-N 3.43Å; Y178-K279 HydrophobicContact CE1-CB 4.38Å; Y178-L283 HydrophobicContact CD1-CB 4.18Å; Y178-L283 HydrophobicContact CD1-CD1 4.34Å; Y178-L283 HydrophobicContact CD1-CD2 4.44Å; Y178-L283 HydrophobicContact CD2-CD1 3.85Å; Y178-L283 HydrophobicContact CE1-CB 4.04Å; Y178-L283 HydrophobicContact CE2-CD1 4.16Å; Y178-L283 HydrophobicContact CG-CD1 3.93Å; Y178-L283 HydrophobicContact CG-CD2 4.47Å; Y178-E286 WeakPolarHBondContact CE2-OE2 3.48Å; Y178-E286 PolarHBondContact OH-OE2 3.03Å; Y178-E286 VanDerWaalsContact OH-OE2 3.08Å
179D78.6Confident71.2Confident112 Ų11289 Ų8960%0.59947%0.467SS*.  trans-65.2123.2172.8-77.1-46.2000109.2D181 L182 V183D179-D181 PolarHBondContact O-N 3.44Å; D179-D181 VanDerWaalsContact O-N 3.13Å; D179-L182 HydrophobicContact CB-CB 4.38Å; D179-L182 HydrophobicContact CB-CD1 4.02Å; D179-L182 HydrophobicContact CB-CG 3.97Å; D179-L182 WeakPolarHBondContact O-CB 3.39Å; D179-L182 PolarHBondContact O-N 2.92Å; D179-V183 PolarHBondContact O-N 3.3Å
180S77.7Confident73Confident79 Ų7979.9 Ų79.955%0.55242%0.424SS*.Hα-helixtrans-55.7-31.8-179.8-170.90000112.2Y178 L182 V183 D184Y178-S180 PolarHBondContact O-N 3.43Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.28Å; S180-V183 PolarHBondContact O-N 3.46Å; S180-D184 WeakPolarHBondContact O-CB 3.27Å; S180-D184 PolarHBondContact O-N 3.22Å
181D80.3Confident74Confident132 Ų13274.1 Ų74.171%0.70640%0.4SS*.Hα-helixtrans-67.9-32178.1-64.3-29.5000112.4D179 S185D179-D181 PolarHBondContact O-N 3.44Å; D179-D181 VanDerWaalsContact O-N 3.13Å; D181-S185 WeakPolarHBondContact O-CB 3.42Å; D181-S185 PolarHBondContact O-N 2.75Å; D181-S185 VanDerWaalsContact O-N 3.1Å; D181-S185 PolarHBondContact O-OG 3.16Å
182L77.8Confident74.8Confident36 Ų3669 Ų6919%0.18838%0.383CS..Hα-helixtrans-75.2-35.3175.8-65.5179.1000111.7D179 S180 S185 L186 E276 L280D179-L182 HydrophobicContact CB-CB 4.38Å; D179-L182 HydrophobicContact CB-CD1 4.02Å; D179-L182 HydrophobicContact CB-CG 3.97Å; D179-L182 WeakPolarHBondContact O-CB 3.39Å; D179-L182 PolarHBondContact O-N 2.92Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.28Å; L182-S185 WeakPolarHBondContact CA-OG 3.33Å; L182-S185 PolarHBondContact O-OG 3.16Å; L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 VanDerWaalsContact O-CD1 3.26Å; L182-L186 WeakPolarHBondContact O-CD1 3.37Å; L182-L186 PolarHBondContact O-N 2.93Å; L182-L186 VanDerWaalsContact O-N 3.1Å; L182-E276 HydrophobicContact CD1-CG 4.45Å; L182-E276 WeakPolarHBondContact CD2-OE1 3.49Å; L182-L280 HydrophobicContact CB-CD2 4.48Å; L182-L280 HydrophobicContact CD1-CD2 4.44Å; L182-L280 HydrophobicContact CD2-CD2 4.44Å
183V81.6Confident74.7Confident4 Ų469.1 Ų69.12%0.02438%0.38CS..Hα-helixtrans-65.2-49.5174.1-178.20000109.9F173 D179 S180 S185 L186 E187 L283 M287F173-V183 HydrophobicContact CD1-CG1 3.76Å; F173-V183 HydrophobicContact CD1-CG2 4.5Å; D179-V183 PolarHBondContact O-N 3.3Å; S180-V183 PolarHBondContact O-N 3.46Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 3.37Å; V183-L186 PolarHBondContact O-N 3.14Å; V183-E187 HydrophobicContact CG1-CG 4.46Å; V183-E187 WeakPolarHBondContact O-CG 2.97Å; V183-E187 PolarHBondContact O-N 2.78Å; V183-L283 HydrophobicContact CG2-CD1 4.03Å; V183-L283 HydrophobicContact CG2-CD2 3.89Å; V183-M287 HydrophobicContact CG1-SD 4.38Å
184D82.9Confident74.5Confident43 Ų4374 Ų7423%0.2341%0.407CS..Hα-helixtrans-64.2-33.5-178.6-82.9-3.2000112.1K172 S180 R188K172-D184 IonicContact NZ-OD1 2.7Å; S180-D184 WeakPolarHBondContact O-CB 3.27Å; S180-D184 PolarHBondContact O-N 3.22Å; D184-R188 VanDerWaalsContact O-CG 3.27Å; D184-R188 WeakPolarHBondContact O-CG 3.39Å; D184-R188 PolarHBondContact O-N 2.82Å
185S81.8Confident74.7Confident46 Ų4668.5 Ų68.532%0.32238%0.378SS..Hα-helixtrans-70-43.8174.266.10000111.8D181 L182 V183 E187 R188 D189D181-S185 WeakPolarHBondContact O-CB 3.42Å; D181-S185 PolarHBondContact O-N 2.75Å; D181-S185 VanDerWaalsContact O-N 3.1Å; D181-S185 PolarHBondContact O-OG 3.16Å; L182-S185 WeakPolarHBondContact CA-OG 3.33Å; L182-S185 PolarHBondContact O-OG 3.16Å; V183-S185 VanDerWaalsContact C-N 3.29Å; V183-S185 PolarHBondContact O-N 3.37Å; S185-E187 PolarHBondContact O-N 2.89Å; S185-R188 PolarHBondContact O-N 2.9Å; S185-D189 WeakPolarHBondContact O-CB 3.31Å; S185-D189 PolarHBondContact O-N 2.96Å
186L80.8Confident75.5Confident11 Ų1173.9 Ų73.96%0.05840%0.403CS..Hα-helixtrans-62-42.2174.8-99.678.1000112.4L182 V183 R188 D189 I190 L280 L283 L284 M287L182-L186 WeakPolarHBondContact O-CB 3.44Å; L182-L186 VanDerWaalsContact O-CD1 3.26Å; L182-L186 WeakPolarHBondContact O-CD1 3.37Å; L182-L186 PolarHBondContact O-N 2.93Å; L182-L186 VanDerWaalsContact O-N 3.1Å; V183-L186 PolarHBondContact O-N 3.14Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 3.08Å; L186-D189 PolarHBondContact O-N 3.33Å; L186-I190 HydrophobicContact CB-CD1 4.36Å; L186-I190 HydrophobicContact CD2-CD1 4.01Å; L186-I190 HydrophobicContact CG-CD1 3.68Å; L186-I190 VanDerWaalsContact O-CB 3.27Å; L186-I190 WeakPolarHBondContact O-CB 3.32Å; L186-I190 PolarHBondContact O-N 3.31Å; L186-L280 HydrophobicContact CD1-CD2 3.67Å; L186-L283 HydrophobicContact CD2-CD2 4.32Å; L186-L283 HydrophobicContact CD2-CG 4.41Å; L186-L284 HydrophobicContact CD2-CB 4.25Å; L186-M287 HydrophobicContact CB-CE 4.37Å; L186-M287 HydrophobicContact CB-SD 4.15Å; L186-M287 HydrophobicContact CD2-SD 4.28Å
187E83.2Confident76.9Confident39 Ų3969.9 Ų69.918%0.18238%0.378CS..Hα-helixtrans-60-38.9177.3-77.9-169.6176.400111.8V183 S185 V191 M287 Y291V183-E187 HydrophobicContact CG1-CG 4.46Å; V183-E187 WeakPolarHBondContact O-CG 2.97Å; V183-E187 PolarHBondContact O-N 2.78Å; S185-E187 PolarHBondContact O-N 2.89Å; E187-V191 VanDerWaalsContact O-CB 3.32Å; E187-V191 WeakPolarHBondContact O-CB 3.43Å; E187-V191 PolarHBondContact O-N 2.83Å; E187-M287 HydrophobicContact CB-CE 4.31Å; E187-M287 HydrophobicContact CG-CE 3.25Å; E187-Y291 PolarHBondContact OE1-OH 2.94Å
188R80Confident78Confident196 Ų19670.3 Ų70.374%0.7436%0.359SS*.Hα-helixtrans-76.3-41.9-179.7-70.5173.6-169.9-174.87.3113D184 S185 L186D184-R188 VanDerWaalsContact O-CG 3.27Å; D184-R188 WeakPolarHBondContact O-CG 3.39Å; D184-R188 PolarHBondContact O-N 2.82Å; S185-R188 PolarHBondContact O-N 2.9Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 3.08Å
189D76.3Confident78.8Confident120 Ų12069 Ų6964%0.64235%0.353SS*.Hα-helixtrans-84.2-31-170.9-69.3-10.5000112.4S185 L186S185-D189 WeakPolarHBondContact O-CB 3.31Å; S185-D189 PolarHBondContact O-N 2.96Å; L186-D189 PolarHBondContact O-N 3.33Å
190I77.6Confident79.1Confident4 Ų470.8 Ų70.82%0.02136%0.362CS..Hα-helixtrans-108.8-36.7-168.6-53.1-175.9000112.3L186 S192 F262 N263 V264 T268 L284L186-I190 HydrophobicContact CB-CD1 4.36Å; L186-I190 HydrophobicContact CD2-CD1 4.01Å; L186-I190 HydrophobicContact CG-CD1 3.68Å; L186-I190 VanDerWaalsContact O-CB 3.27Å; L186-I190 WeakPolarHBondContact O-CB 3.32Å; L186-I190 PolarHBondContact O-N 3.31Å; I190-S192 PolarHBondContact O-N 2.97Å; I190-F262 HydrophobicContact CB-CD1 4.39Å; I190-F262 HydrophobicContact CG2-CB 3.65Å; I190-F262 HydrophobicContact CG2-CD1 3.59Å; I190-F262 HydrophobicContact CG2-CG 4.02Å; I190-F262 WeakPolarHBondContact O-CA 3.46Å; I190-N263 PolarHBondContact O-N 3.2Å; I190-V264 HydrophobicContact CD1-CG2 4.47Å; I190-V264 HydrophobicContact CG2-CG2 3.66Å; I190-T268 HydrophobicContact CD1-CG2 3.79Å; I190-T268 HydrophobicContact CG1-CG2 4.03Å; I190-L284 HydrophobicContact CD1-CD1 4.11Å; I190-L284 HydrophobicContact CG2-CD1 4.05Å
191V76.1Confident79.4Confident31 Ų3170.2 Ų70.219%0.18835%0.353CS..EExtended strand (participates in β ladder)trans-83.6106.5-170.6-174.10000110.9E187 R193 T260 F262 M287E187-V191 VanDerWaalsContact O-CB 3.32Å; E187-V191 WeakPolarHBondContact O-CB 3.43Å; E187-V191 PolarHBondContact O-N 2.83Å; V191-R193 HydrophobicContact CG1-CG 4.37Å; V191-T260 HydrophobicContact CG1-CG2 3.68Å; V191-F262 HydrophobicContact CG2-CD1 4Å; V191-F262 HydrophobicContact CG2-CE1 3.51Å; V191-F262 HydrophobicContact CG2-CE2 4.39Å; V191-F262 HydrophobicContact CG2-CZ 3.74Å; V191-M287 HydrophobicContact CG2-CE 4.46Å
192S75.9Confident79.7Confident47 Ų4764.6 Ų64.633%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-104.5113.6164.4-166.60000108.5I190 F261I190-S192 PolarHBondContact O-N 2.97Å; S192-F261 PolarHBondContact N-O 3.39Å; S192-F261 WeakPolarHBondContact O-CA 3.39Å; S192-F261 WeakPolarHBondContact O-CB 3.41Å; S192-F261 PolarHBondContact O-N 3Å
193R63.3Low80Confident137 Ų13763.3 Ų63.352%0.51732%0.318SS..SBendtrans-66-48.5-178-70.1-173.7179.6-177.11.1111.2V191V191-R193 HydrophobicContact CG1-CG 4.37Å
194N68.1Low79.9Confident120 Ų12064 Ų6464%0.64232%0.321SS*.  trans-139.2100.4178.3-70.811.7000110.5N196N194-N196 VanDerWaalsContact C-N 3.33Å; N194-N196 PolarHBondContact O-N 2.66Å
195P69.8Low79.9Confident12 Ų1262.6 Ų62.68%0.07831%0.314CS..  trans-76.188.4169.531.6-31.9000108.5V197 K251 A254 T255 F261P195-V197 PolarHBondContact O-N 2.78Å; P195-K251 HydrophobicContact CB-CB 3.8Å; P195-K251 HydrophobicContact CB-CD 3.98Å; P195-K251 HydrophobicContact CB-CG 3.68Å; P195-K251 HydrophobicContact CG-CB 3.86Å; P195-K251 HydrophobicContact CG-CG 3.95Å; P195-A254 HydrophobicContact CG-CB 4.27Å; P195-T255 PolarHBondContact O-OG1 3.34Å; P195-F261 HydrophobicContact CG-CB 4.11Å; P195-F261 HydrophobicContact CG-CD1 4.17Å; P195-F261 HydrophobicContact CG-CG 4.13Å
196N81.1Confident80.1Confident130 Ų13065.7 Ų65.770%0.69532%0.323SS*.  trans-55.467.1-174.8-167.856.3000114.7N194N194-N196 VanDerWaalsContact C-N 3.33Å; N194-N196 PolarHBondContact O-N 2.66Å
197V87.6Confident80.5Confident26 Ų2671.4 Ų71.416%0.15835%0.354CS..  trans-128.8125.3-178.3-179.50000105.7P195 K251 A252 T255P195-V197 PolarHBondContact O-N 2.78Å; V197-K251 HydrophobicContact CB-CB 4.32Å; V197-K251 HydrophobicContact CG2-CB 4.24Å; V197-A252 HydrophobicContact CG1-CB 4.27Å; V197-A252 WeakPolarHBondContact O-CA 3.44Å; V197-T255 WeakPolarHBondContact O-CB 3.46Å
198H88.1Confident80.7Confident90 Ų9069.9 Ų69.942%0.41735%0.347SS..  trans-104.8165.5179-64.6-76.9000111D200 D201H198-D200 PolarHBondContact O-N 3.36Å; H198-D201 PolarHBondContact N-OD2 2.81Å; H198-D201 WeakPolarHBondContact O-CB 3.2Å; H198-D201 PolarHBondContact O-N 3.39Å; H198-D201 VanDerWaalsContact O-N 3.16Å
199W86.6Confident81.2Confident35 Ų3562 Ų6213%0.13332%0.318CS..G310 helixtrans-63.4-27.1175.7-66108.7000113.4D201 I202 K209 L212 R213 L249 A252 V253 E256W199-D201 PolarHBondContact O-N 3.13Å; W199-I202 HydrophobicContact CE3-CD1 4.45Å; W199-I202 PolarHBondContact O-N 2.93Å; W199-K209 HydrophobicContact CE3-CB 4.34Å; W199-K209 HydrophobicContact CE3-CD 4.19Å; W199-K209 HydrophobicContact CE3-CG 3.72Å; W199-K209 HydrophobicContact CZ3-CB 4.13Å; W199-K209 HydrophobicContact CZ3-CG 3.68Å; W199-L212 HydrophobicContact CH2-CB 4.25Å; W199-L212 HydrophobicContact CH2-CD1 4.43Å; W199-R213 HydrophobicContact CZ2-CG 4.09Å; W199-L249 HydrophobicContact CE3-CD2 4.35Å; W199-L249 HydrophobicContact CZ3-CD2 3.68Å; W199-A252 HydrophobicContact CD2-CB 4.08Å; W199-A252 HydrophobicContact CE3-CB 4.08Å; W199-A252 HydrophobicContact CZ3-CB 4.38Å; W199-V253 HydrophobicContact CH2-CB 4.46Å; W199-V253 HydrophobicContact CH2-CG2 3.31Å; W199-V253 HydrophobicContact CZ2-CB 4.31Å; W199-V253 HydrophobicContact CZ2-CG2 3.54Å; W199-V253 HydrophobicContact CZ3-CG2 4.42Å; W199-E256 VanDerWaalsContact CE2-OE2 3.29Å; W199-E256 PolarHBondContact NE1-OE2 3.13Å
200D84.7Confident81.8Confident148 Ų14862.1 Ų62.179%0.79131%0.314SS*.G310 helixtrans-70.7-21.3177.9-56.6-35.5000112.2H198 I202H198-D200 PolarHBondContact O-N 3.36Å; D200-I202 VanDerWaalsContact C-N 3.28Å
201D84Confident82.4Confident67 Ų6764 Ų6436%0.35832%0.323SS..G310 helixtrans-82.5-8.8177.2-57.8-42.4000112.5H198 W199H198-D201 PolarHBondContact N-OD2 2.81Å; H198-D201 WeakPolarHBondContact O-CB 3.2Å; H198-D201 PolarHBondContact O-N 3.39Å; H198-D201 VanDerWaalsContact O-N 3.16Å; W199-D201 PolarHBondContact O-N 3.13Å
202I86.2Confident83Confident15 Ų1562.5 Ų62.58%0.07731%0.314CS..SBendtrans-105.6114.1179.3-56.2177.9000107.3W199 D200 L205 K209 M248 L249 A252W199-I202 HydrophobicContact CE3-CD1 4.45Å; W199-I202 PolarHBondContact O-N 2.93Å; D200-I202 VanDerWaalsContact C-N 3.28Å; I202-L205 HydrophobicContact CG2-CD1 4.44Å; I202-K209 WeakPolarHBondContact O-CE 3.42Å; I202-K209 PolarHBondContact O-NZ 2.88Å; I202-M248 HydrophobicContact CD1-CB 4.31Å; I202-L249 HydrophobicContact CD1-CD2 3.76Å; I202-L249 HydrophobicContact CD1-CG 4.1Å; I202-L249 HydrophobicContact CG2-CD2 4.07Å; I202-A252 HydrophobicContact CD1-CB 3.63Å
203A84.8Confident83.6Confident9 Ų965.6 Ų65.67%0.07432%0.319CS..  trans-80.3152.1174.600000111.8E380 L381 I384A203-E380 HydrophobicContact CB-CB 3.75Å; A203-L381 HydrophobicContact CB-CD2 3.73Å; A203-L381 HydrophobicContact CB-CG 3.73Å; A203-I384 HydrophobicContact CB-CD1 3.86Å
204D79.6Confident84.7Confident17 Ų1763.1 Ų63.19%0.09131%0.313CS..SBendtrans59.7-168.3179.8-150.9-20.8000112.6K209 P373 T374 G377D204-K209 WeakPolarHBondContact O-CE 3.4Å; D204-K209 PolarHBondContact O-NZ 2.76Å; D204-P373 WeakPolarHBondContact OD2-CA 3.41Å; D204-T374 WeakPolarHBondContact OD2-CB 3.34Å; D204-T374 PolarHBondContact OD2-N 3.38Å; D204-T374 PolarHBondContact OD2-OG1 3Å; D204-G377 WeakPolarHBondContact OD2-CA 3.43Å
205L83Confident85.4Confident15 Ų1557.7 Ų57.78%0.07929%0.285CS..  trans72.534.6171-50.1173.8000114.9I202 D207 A208 K209 L249 I370 P371I202-L205 HydrophobicContact CG2-CD1 4.44Å; L205-D207 PolarHBondContact O-N 3.23Å; L205-A208 HydrophobicContact CB-CB 4.25Å; L205-A208 PolarHBondContact O-N 2.93Å; L205-K209 WeakPolarHBondContact O-CB 3.23Å; L205-K209 VanDerWaalsContact O-CG 3.23Å; L205-K209 WeakPolarHBondContact O-CG 3.49Å; L205-K209 PolarHBondContact O-N 2.78Å; L205-L249 HydrophobicContact CD1-CD1 4Å; L205-I370 HydrophobicContact CD1-CG2 3.99Å; L205-I370 HydrophobicContact CD2-CG2 4.13Å; L205-P371 HydrophobicContact CD2-CG 3.92Å
206E85.9Confident86Confident111 Ų11157.3 Ų57.352%0.51928%0.282SS..Hα-helixtrans-55.5-40.5-179.9-70.664.8-137.300112.3K210E206-K210 VanDerWaalsContact O-CB 3.24Å; E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 PolarHBondContact O-N 3.45Å
207D87.8Confident86.1Confident131 Ų13151.2 Ų51.270%0.70125%0.25SC*.Hα-helixtrans-66.7-45.8179-69.6-28.8000111.7L205 K210 L211L205-D207 PolarHBondContact O-N 3.23Å; D207-K210 PolarHBondContact O-N 3.28Å; D207-L211 WeakPolarHBondContact O-CB 3.46Å; D207-L211 VanDerWaalsContact O-CG 3.29Å; D207-L211 WeakPolarHBondContact O-CG 3.27Å; D207-L211 PolarHBondContact O-N 3.39Å
208A88.2Confident86Confident6 Ų652.5 Ų52.55%0.0526%0.255CS..Hα-helixtrans-67.1-40.1178.100000111.5L205 L211 L212 I368L205-A208 HydrophobicContact CB-CB 4.25Å; L205-A208 PolarHBondContact O-N 2.93Å; A208-L211 PolarHBondContact O-N 3.46Å; A208-L212 WeakPolarHBondContact O-CB 3.26Å; A208-L212 WeakPolarHBondContact O-CG 3.39Å; A208-L212 PolarHBondContact O-N 3.12Å; A208-I368 HydrophobicContact CB-CG2 3.93Å
209K89.7Confident85.7Confident30 Ų3048.3 Ų48.313%0.1324%0.236CC..Hα-helixtrans-59.6-47.4173-71.1171.5175162.20110.7W199 I202 D204 L205 L212 R213 L249W199-K209 HydrophobicContact CE3-CB 4.34Å; W199-K209 HydrophobicContact CE3-CD 4.19Å; W199-K209 HydrophobicContact CE3-CG 3.72Å; W199-K209 HydrophobicContact CZ3-CB 4.13Å; W199-K209 HydrophobicContact CZ3-CG 3.68Å; I202-K209 WeakPolarHBondContact O-CE 3.42Å; I202-K209 PolarHBondContact O-NZ 2.88Å; D204-K209 WeakPolarHBondContact O-CE 3.4Å; D204-K209 PolarHBondContact O-NZ 2.76Å; L205-K209 WeakPolarHBondContact O-CB 3.23Å; L205-K209 VanDerWaalsContact O-CG 3.23Å; L205-K209 WeakPolarHBondContact O-CG 3.49Å; L205-K209 PolarHBondContact O-N 2.78Å; K209-L212 PolarHBondContact O-N 2.9Å; K209-R213 WeakPolarHBondContact O-CB 3.26Å; K209-R213 WeakPolarHBondContact O-CG 3.27Å; K209-R213 PolarHBondContact O-N 3.26Å; K209-L249 HydrophobicContact CG-CD2 4.22Å
210K90.3Very high85.4Confident124 Ų12449.7 Ų49.754%0.53925%0.245SC..Hα-helixtrans-60-49.1177.6-178.4-178.3173.4-171.60111.4E206 D207 L212 R213 E214E206-K210 VanDerWaalsContact O-CB 3.24Å; E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 PolarHBondContact O-N 3.45Å; D207-K210 PolarHBondContact O-N 3.28Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.21Å; K210-R213 PolarHBondContact O-N 2.92Å; K210-E214 WeakPolarHBondContact CE-OE1 3.27Å; K210-E214 WeakPolarHBondContact O-CB 3.46Å; K210-E214 WeakPolarHBondContact O-CG 3.44Å; K210-E214 PolarHBondContact O-N 3.08Å
211L89.7Confident85.3Confident43 Ų4350.3 Ų50.323%0.22524%0.236CC..Hα-helixtrans-61.6-40178.4-71.4174.8000112.4D207 A208 A215 I368D207-L211 WeakPolarHBondContact O-CB 3.46Å; D207-L211 VanDerWaalsContact O-CG 3.29Å; D207-L211 WeakPolarHBondContact O-CG 3.27Å; D207-L211 PolarHBondContact O-N 3.39Å; A208-L211 PolarHBondContact O-N 3.46Å; L211-A215 VanDerWaalsContact O-CB 3.27Å; L211-A215 WeakPolarHBondContact O-CB 3.27Å; L211-A215 PolarHBondContact O-N 3.08Å; L211-I368 HydrophobicContact CB-CD1 3.95Å; L211-I368 HydrophobicContact CB-CG1 4.34Å; L211-I368 HydrophobicContact CD1-CG2 4.32Å
212L88Confident85.3Confident0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-67.4-43.2175.2-79.7171000111.9W199 A208 K209 K210 E214 A215 V216 V236 M238 L249 V253 I368W199-L212 HydrophobicContact CH2-CB 4.25Å; W199-L212 HydrophobicContact CH2-CD1 4.43Å; A208-L212 WeakPolarHBondContact O-CB 3.26Å; A208-L212 WeakPolarHBondContact O-CG 3.39Å; A208-L212 PolarHBondContact O-N 3.12Å; K209-L212 PolarHBondContact O-N 2.9Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 3.21Å; L212-E214 VanDerWaalsContact C-N 3.31Å; L212-E214 PolarHBondContact O-N 2.92Å; L212-A215 PolarHBondContact O-N 3.39Å; L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.4Å; L212-V216 PolarHBondContact O-N 2.92Å; L212-V236 HydrophobicContact CD2-CG1 4.14Å; L212-M238 HydrophobicContact CD1-SD 4.19Å; L212-M238 HydrophobicContact CD2-SD 4.45Å; L212-L249 HydrophobicContact CD1-CB 4.15Å; L212-L249 HydrophobicContact CD1-CD2 4.39Å; L212-V253 HydrophobicContact CB-CG2 4.18Å; L212-V253 HydrophobicContact CD1-CG2 4.2Å; L212-I368 HydrophobicContact CD2-CD1 3.64Å; L212-I368 HydrophobicContact CG-CD1 3.71Å
213R88.6Confident84.9Confident111 Ų11153.1 Ų53.142%0.41925%0.252SS..Iπ-helixtrans-61.9-41.1175.9-70.3176.683.4-1572.8111.3W199 K209 K210 V217 L218 E256W199-R213 HydrophobicContact CZ2-CG 4.09Å; K209-R213 WeakPolarHBondContact O-CB 3.26Å; K209-R213 WeakPolarHBondContact O-CG 3.27Å; K209-R213 PolarHBondContact O-N 3.26Å; K210-R213 PolarHBondContact O-N 2.92Å; R213-V217 HydrophobicContact CB-CB 4.48Å; R213-V217 HydrophobicContact CB-CG2 4.31Å; R213-V217 HydrophobicContact CG-CG2 4.24Å; R213-V217 WeakPolarHBondContact O-CA 3.45Å; R213-V217 VanDerWaalsContact O-CB 3.28Å; R213-V217 WeakPolarHBondContact O-CB 3.48Å; R213-V217 PolarHBondContact O-N 3.14Å; R213-L218 PolarHBondContact O-N 2.86Å; R213-E256 IonicContact CZ-OE1 3.37Å; R213-E256 IonicContact NE-OE1 3.48Å; R213-E256 PolarHBondContact NE-OE1 3.32Å; R213-E256 IonicContact NE-OE2 3.05Å; R213-E256 IonicContact NH2-OE1 3.39Å; R213-E256 PolarHBondContact NH2-OE1 3.03Å
214E87Confident84.8Confident86 Ų8658.6 Ų58.640%0.40228%0.28SS..Iπ-helixtrans-65.1-41.2175.1-73.6177.6-169.400112.8K210 L212 L218K210-E214 WeakPolarHBondContact CE-OE1 3.27Å; K210-E214 WeakPolarHBondContact O-CB 3.46Å; K210-E214 WeakPolarHBondContact O-CG 3.44Å; K210-E214 PolarHBondContact O-N 3.08Å; L212-E214 VanDerWaalsContact C-N 3.31Å; L212-E214 PolarHBondContact O-N 2.92Å; E214-L218 HydrophobicContact CB-CD1 4.1Å; E214-L218 HydrophobicContact CG-CD1 3.85Å
215A83.4Confident85Confident5 Ų562.6 Ų62.64%0.04130%0.297CS..Iπ-helixtrans-75-34.4-17800000113.3L211 L212 P219 V236L211-A215 VanDerWaalsContact O-CB 3.27Å; L211-A215 WeakPolarHBondContact O-CB 3.27Å; L211-A215 PolarHBondContact O-N 3.08Å; L212-A215 PolarHBondContact O-N 3.39Å; A215-P219 WeakPolarHBondContact O-CG 3.28Å; A215-V236 HydrophobicContact CB-CG2 4.23Å
216V81.9Confident84.7Confident5 Ų563.9 Ų63.93%0.0330%0.302CS..Iπ-helixtrans-111.6-50.2-169.4-175.80000113.1L212 P219 V253 M345 L347L212-V216 WeakPolarHBondContact O-CB 3.46Å; L212-V216 WeakPolarHBondContact O-CG2 3.4Å; L212-V216 PolarHBondContact O-N 2.92Å; V216-P219 WeakPolarHBondContact O-CD 3.42Å; V216-V253 HydrophobicContact CB-CG1 3.9Å; V216-V253 HydrophobicContact CG1-CG1 3.51Å; V216-V253 HydrophobicContact CG2-CG1 4.02Å; V216-M345 HydrophobicContact CB-CE 4.11Å; V216-M345 HydrophobicContact CB-SD 3.89Å; V216-M345 HydrophobicContact CG1-CE 3.26Å; V216-M345 HydrophobicContact CG1-SD 3.51Å; V216-M345 VanDerWaalsContact CG1-SD 3.51Å; V216-M345 HydrophobicContact CG2-CE 3.75Å; V216-M345 HydrophobicContact CG2-SD 3.36Å; V216-M345 WeakPolarHBondContact CG2-SD 3.21Å; V216-L347 HydrophobicContact CG2-CD2 4.35Å
217V84Confident84.3Confident2 Ų263.5 Ų63.51%0.01230%0.299CS..Iπ-helixtrans-79.3-42.9-169.8-177.40000110.8R213 M220 W221 E256R213-V217 HydrophobicContact CB-CB 4.48Å; R213-V217 HydrophobicContact CB-CG2 4.31Å; R213-V217 HydrophobicContact CG-CG2 4.24Å; R213-V217 WeakPolarHBondContact O-CA 3.45Å; R213-V217 VanDerWaalsContact O-CB 3.28Å; R213-V217 WeakPolarHBondContact O-CB 3.48Å; R213-V217 PolarHBondContact O-N 3.14Å; V217-M220 WeakPolarHBondContact O-CB 3.46Å; V217-M220 PolarHBondContact O-N 3.46Å; V217-M220 VanDerWaalsContact O-N 3.08Å; V217-W221 HydrophobicContact CG1-CD2 3.85Å; V217-W221 HydrophobicContact CG1-CE3 4.42Å; V217-W221 HydrophobicContact CG1-CG 4.29Å; V217-W221 HydrophobicContact CG1-CH2 4.19Å; V217-W221 HydrophobicContact CG1-CZ2 3.58Å; V217-W221 PolarHBondContact O-N 2.95Å; V217-W221 VanDerWaalsContact O-N 3.08Å; V217-E256 WeakPolarHBondContact CG2-OE2 3.49Å
218L85.1Confident83.9Confident52 Ų5260.4 Ų60.427%0.27230%0.297SS..Hα-helixtrans-60.2-41.7-178.1-66.3-174.6000114.1R213 E214 M220 W221 M222 F226R213-L218 PolarHBondContact O-N 2.86Å; E214-L218 HydrophobicContact CB-CD1 4.1Å; E214-L218 HydrophobicContact CG-CD1 3.85Å; L218-M220 PolarHBondContact O-N 3.25Å; L218-W221 PolarHBondContact O-N 3.48Å; L218-M222 HydrophobicContact CD2-CE 4.16Å; L218-M222 PolarHBondContact O-N 3.49Å; L218-F226 HydrophobicContact CB-CE2 3.69Å; L218-F226 HydrophobicContact CB-CZ 3.67Å; L218-F226 HydrophobicContact CD1-CZ 4.38Å
219P82Confident83.4Confident3 Ų368.4 Ų68.42%0.01934%0.337CS..Hα-helixtrans-58.9-32.7173.4-2836.3000114.3A215 V216 F226 P232 M343A215-P219 WeakPolarHBondContact O-CG 3.28Å; V216-P219 WeakPolarHBondContact O-CD 3.42Å; P219-F226 HydrophobicContact CB-CD2 4.43Å; P219-F226 HydrophobicContact CB-CG 4.34Å; P219-F226 HydrophobicContact CG-CD1 4.14Å; P219-F226 HydrophobicContact CG-CD2 4.41Å; P219-F226 HydrophobicContact CG-CE1 4.21Å; P219-F226 HydrophobicContact CG-CE2 4.48Å; P219-F226 HydrophobicContact CG-CG 4.26Å; P219-F226 HydrophobicContact CG-CZ 4.39Å; P219-P232 HydrophobicContact CB-CB 3.74Å; P219-P232 HydrophobicContact CB-CG 4.34Å; P219-P232 HydrophobicContact CG-CB 3.64Å; P219-M343 HydrophobicContact CB-CE 4.43Å
220M79.6Confident82.8Confident64 Ų6473.2 Ų73.232%0.31536%0.355SS..Hα-helixtrans-75.6-37.1178.3-62.5-171.280.900111.8V217 L218 C257 T259 P293V217-M220 WeakPolarHBondContact O-CB 3.46Å; V217-M220 PolarHBondContact O-N 3.46Å; V217-M220 VanDerWaalsContact O-N 3.08Å; L218-M220 PolarHBondContact O-N 3.25Å; M220-C257 HydrophobicContact CE-CB 4.39Å; M220-C257 HydrophobicContact SD-CB 3.59Å; M220-C257 VanDerWaalsContact SD-CB 3.59Å; M220-T259 HydrophobicContact CE-CG2 3.6Å; M220-T259 HydrophobicContact SD-CG2 4.04Å; M220-P293 HydrophobicContact CE-CB 4.12Å; M220-P293 HydrophobicContact CE-CG 4.39Å
221W83.1Confident82.3Confident161 Ų16174.2 Ų74.261%0.6136%0.355SS*.Hα-helixtrans-78.2-34179.3-68.44.6000113.2V217 L218V217-W221 HydrophobicContact CG1-CD2 3.85Å; V217-W221 HydrophobicContact CG1-CE3 4.42Å; V217-W221 HydrophobicContact CG1-CG 4.29Å; V217-W221 HydrophobicContact CG1-CH2 4.19Å; V217-W221 HydrophobicContact CG1-CZ2 3.58Å; V217-W221 PolarHBondContact O-N 2.95Å; V217-W221 VanDerWaalsContact O-N 3.08Å; L218-W221 PolarHBondContact O-N 3.48Å
222M83.1Confident81.8Confident95 Ų9573.9 Ų73.947%0.46836%0.356SS..  trans-129.863.9-174.9-65-171.9-67.500112.5L218 D224 F225 F226L218-M222 HydrophobicContact CD2-CE 4.16Å; L218-M222 PolarHBondContact O-N 3.49Å; M222-D224 PolarHBondContact O-N 3.35Å; M222-D224 VanDerWaalsContact O-N 3.12Å; M222-F225 HydrophobicContact CB-CB 4.2Å; M222-F225 PolarHBondContact O-N 2.62Å; M222-F225 VanDerWaalsContact O-N 3.08Å; M222-F226 WeakPolarHBondContact O-CD2 3.33Å
223P79.3Confident81.6Confident46 Ų4679.6 Ų79.630%0.29938%0.377SS..THydrogen-bonded Turntrans-60.8-27.1-177.425.3-35000113.3F225 F226 P340P223-F225 VanDerWaalsContact C-N 3.33Å; P223-F225 PolarHBondContact O-N 3.07Å; P223-F226 PolarHBondContact O-N 3.23Å; P223-P340 HydrophobicContact CB-CB 3.94Å; P223-P340 HydrophobicContact CB-CG 4.32Å
224D81.9Confident81Confident123 Ų12378.3 Ų78.366%0.65838%0.375SS*.THydrogen-bonded Turntrans-69.2-28.8178.1-69.3-37.9000114M222 K227M222-D224 PolarHBondContact O-N 3.35Å; M222-D224 VanDerWaalsContact O-N 3.12Å; D224-K227 IonicContact OD1-NZ 3.78Å; D224-K227 PolarHBondContact OD1-NZ 2.88Å
225F82.8Confident81.1Confident101 Ų10174.2 Ų74.244%0.44336%0.356SS..THydrogen-bonded Turntrans-78-36178.6-174.1-94.1000111.7M222 P223 K227 R230M222-F225 HydrophobicContact CB-CB 4.2Å; M222-F225 PolarHBondContact O-N 2.62Å; M222-F225 VanDerWaalsContact O-N 3.08Å; P223-F225 VanDerWaalsContact C-N 3.33Å; P223-F225 PolarHBondContact O-N 3.07Å; F225-K227 VanDerWaalsContact C-N 3.27Å; F225-K227 PolarHBondContact O-N 3.48Å; F225-K227 VanDerWaalsContact O-N 3.14Å; F225-R230 PolarHBondContact O-NE 2.94Å
226F78.4Confident81.4Confident42 Ų4274 Ų7418%0.18435%0.354CS..SBendtrans-88.848.2-175.7-70.8-90.6000113.1L218 P219 M222 P223 R230L218-F226 HydrophobicContact CB-CE2 3.69Å; L218-F226 HydrophobicContact CB-CZ 3.67Å; L218-F226 HydrophobicContact CD1-CZ 4.38Å; P219-F226 HydrophobicContact CB-CD2 4.43Å; P219-F226 HydrophobicContact CB-CG 4.34Å; P219-F226 HydrophobicContact CG-CD1 4.14Å; P219-F226 HydrophobicContact CG-CD2 4.41Å; P219-F226 HydrophobicContact CG-CE1 4.21Å; P219-F226 HydrophobicContact CG-CE2 4.48Å; P219-F226 HydrophobicContact CG-CG 4.26Å; P219-F226 HydrophobicContact CG-CZ 4.39Å; M222-F226 WeakPolarHBondContact O-CD2 3.33Å; P223-F226 PolarHBondContact O-N 3.23Å; F226-R230 CarbonylContact C-O 3.51Å; F226-R230 WeakPolarHBondContact CA-O 3.44Å; F226-R230 WeakPolarHBondContact CB-O 3.43Å; F226-R230 WeakPolarHBondContact CD1-O 3.36Å
227K77.4Confident82Confident104 Ų10473.8 Ų73.845%0.45235%0.352SS..  trans-107.8152.7176.3-66.7179.9-178.6166.20112.4D224 F225 I229 R230D224-K227 IonicContact OD1-NZ 3.78Å; D224-K227 PolarHBondContact OD1-NZ 2.88Å; F225-K227 VanDerWaalsContact C-N 3.27Å; F225-K227 PolarHBondContact O-N 3.48Å; F225-K227 VanDerWaalsContact O-N 3.14Å; K227-I229 PolarHBondContact O-N 3.4Å; K227-R230 PolarHBondContact O-N 3.49Å
228G78.8Confident82.4Confident65 Ų6573.8 Ų73.867%0.6735%0.352SS*.G310 helixtrans66.7-117.217600000113.2R230 R231G228-R230 VanDerWaalsContact C-N 3.29Å; G228-R230 PolarHBondContact O-N 3.23Å; G228-R231 PolarHBondContact O-N 2.88Å
229I78.2Confident82.8Confident174 Ų17471.3 Ų71.389%0.89234%0.339SS*.G310 helixtrans-66.3-33.6-179.2-59.5173.8000111.2K227 R231K227-I229 PolarHBondContact O-N 3.4Å; I229-R231 PolarHBondContact O-N 3.2Å
230R77.4Confident83.3Confident132 Ų13271.1 Ų71.150%0.49834%0.338SS..G310 helixtrans-86.628.6179.8-65.5176.9-69.5-173.7-3112.4F225 F226 K227 G228F225-R230 PolarHBondContact O-NE 2.94Å; F226-R230 CarbonylContact C-O 3.51Å; F226-R230 WeakPolarHBondContact CA-O 3.44Å; F226-R230 WeakPolarHBondContact CB-O 3.43Å; F226-R230 WeakPolarHBondContact CD1-O 3.36Å; K227-R230 PolarHBondContact O-N 3.49Å; G228-R230 VanDerWaalsContact C-N 3.29Å; G228-R230 PolarHBondContact O-N 3.23Å
231R77.8Confident83.9Confident145 Ų14568.1 Ų68.155%0.54732%0.323SS..PPolyproline II helixtrans-55.6144.2175.564.9-172.7-173.2-173.12110G228 I229 E365G228-R231 PolarHBondContact O-N 2.88Å; I229-R231 PolarHBondContact O-N 3.2Å; R231-E365 IonicContact NH2-OE1 2.88Å
232P80.7Confident84.2Confident36 Ų3663.1 Ų63.123%0.23431%0.312CS..PPolyproline II helixtrans-61.8152.3177.326.8-33.9000111.2P219 K234 M343P219-P232 HydrophobicContact CB-CB 3.74Å; P219-P232 HydrophobicContact CB-CG 4.34Å; P219-P232 HydrophobicContact CG-CB 3.64Å; P232-K234 PolarHBondContact O-N 3.28Å; P232-M343 HydrophobicContact CG-CE 4.04Å
233W82.3Confident84.4Confident119 Ų11960.1 Ų60.145%0.45131%0.305SS..PPolyproline II helixtrans-67.1126174.4-55103.2000109.1E365 K366W233-E365 HydrophobicContact CE3-CB 3.4Å; W233-E365 HydrophobicContact CE3-CG 4.32Å; W233-E365 HydrophobicContact CZ3-CB 3.63Å; W233-E365 HydrophobicContact CZ3-CG 4.46Å; W233-K366 HydrophobicContact CB-CB 4.47Å; W233-K366 HydrophobicContact CD2-CB 4.25Å; W233-K366 HydrophobicContact CG-CB 4.16Å
234K77.6Confident84.9Confident85 Ų8558.6 Ų58.637%0.3730%0.295SS..SBendtrans-79.1-29.1-179-65.1180178.31790113P232 V346P232-K234 PolarHBondContact O-N 3.28Å; K234-V346 PolarHBondContact O-N 3.13Å
235G88Confident85.2Confident0 Ų053.9 Ų53.90%028%0.275CS..EExtended strand (participates in β ladder)trans-133.8123.3-176.100000110.6V346 E365 K366G235-V346 WeakPolarHBondContact CA-O 3.25Å; G235-E365 PolarHBondContact O-N 3.17Å; G235-K366 PolarHBondContact O-N 2.88Å
236V91.1Very high85.6Confident0 Ų049.6 Ų49.60%026%0.256CS..EExtended strand (participates in β ladder)trans-114.9129173-174.90000108.6L212 A215 V346 L347 A348 K366 I368L212-V236 HydrophobicContact CD2-CG1 4.14Å; A215-V236 HydrophobicContact CB-CG2 4.23Å; V236-V346 PolarHBondContact N-O 3.28Å; V236-L347 HydrophobicContact CB-CD2 3.7Å; V236-L347 HydrophobicContact CG1-CD2 4.43Å; V236-L347 HydrophobicContact CG2-CD2 4.07Å; V236-L347 CarbonylContact O-C 3.43Å; V236-L347 WeakPolarHBondContact O-CA 3.48Å; V236-A348 PolarHBondContact O-N 3.08Å; V236-K366 CarbonylContact C-O 3.59Å; V236-K366 WeakPolarHBondContact CA-O 3.3Å; V236-K366 HydrophobicContact CG1-CB 4.46Å; V236-K366 HydrophobicContact CG2-CB 4.42Å; V236-I368 HydrophobicContact CG1-CD1 3.69Å; V236-I368 HydrophobicContact CG1-CG1 4.17Å
237L92.6Very high86.1Confident1 Ų149.4 Ų49.41%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-107.8123.3175.217863.6000110.1V239 I301 A348 T350 I356 L364 K366 R367 I368 W475L237-V239 HydrophobicContact CD1-CG1 4.39Å; L237-V239 HydrophobicContact CD2-CG1 3.69Å; L237-V239 HydrophobicContact CG-CG1 3.63Å; L237-I301 HydrophobicContact CD1-CG2 4.29Å; L237-A348 CarbonylContact C-O 3.59Å; L237-A348 WeakPolarHBondContact CA-O 3.36Å; L237-A348 HydrophobicContact CD1-CB 3.86Å; L237-T350 HydrophobicContact CD1-CG2 3.83Å; L237-T350 HydrophobicContact CG-CG2 4.42Å; L237-I356 HydrophobicContact CD1-CD1 4.05Å; L237-I356 HydrophobicContact CD2-CD1 3.68Å; L237-L364 HydrophobicContact CB-CB 3.92Å; L237-L364 HydrophobicContact CB-CD1 4.06Å; L237-L364 HydrophobicContact CB-CD2 4.36Å; L237-L364 HydrophobicContact CB-CG 4.33Å; L237-L364 HydrophobicContact CD1-CD1 4.08Å; L237-L364 HydrophobicContact CD2-CD1 4.18Å; L237-L364 HydrophobicContact CG-CD1 4.32Å; L237-K366 PolarHBondContact N-O 2.78Å; L237-R367 HydrophobicContact CB-CG 4.26Å; L237-R367 HydrophobicContact CD2-CG 4.24Å; L237-R367 CarbonylContact O-C 3.58Å; L237-R367 VanDerWaalsContact O-CA 3.28Å; L237-R367 WeakPolarHBondContact O-CA 3.46Å; L237-I368 PolarHBondContact O-N 3.23Å; L237-W475 HydrophobicContact CD2-CH2 4.43Å
238M93.6Very high86.7Confident1 Ų148.8 Ų48.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-95.3117.1170.9-71.7179.9-63.900109L212 K246 L249 A250 F297 A348 A349 T350 I368 I370L212-M238 HydrophobicContact CD1-SD 4.19Å; L212-M238 HydrophobicContact CD2-SD 4.45Å; M238-K246 HydrophobicContact CB-CD 4.33Å; M238-L249 HydrophobicContact SD-CB 4.38Å; M238-A250 HydrophobicContact CE-CB 4.01Å; M238-F297 HydrophobicContact CE-CD2 4.11Å; M238-F297 HydrophobicContact CE-CE2 3.53Å; M238-A348 PolarHBondContact N-O 3.42Å; M238-A349 HydrophobicContact CE-CB 4.48Å; M238-A349 WeakPolarHBondContact O-CA 3.35Å; M238-T350 PolarHBondContact O-N 3.28Å; M238-I368 WeakPolarHBondContact CA-O 3.26Å; M238-I370 HydrophobicContact CB-CD1 3.7Å; M238-I370 HydrophobicContact CG-CD1 3.87Å; M238-I370 HydrophobicContact SD-CD1 3.97Å
239V92.5Very high87.3Confident0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-115143.7179.8-53.60000109.8L237 T350 P353 I368 Y369 I370 W475 M476L237-V239 HydrophobicContact CD1-CG1 4.39Å; L237-V239 HydrophobicContact CD2-CG1 3.69Å; L237-V239 HydrophobicContact CG-CG1 3.63Å; V239-T350 HydrophobicContact CB-CG2 4.28Å; V239-T350 HydrophobicContact CG1-CG2 3.75Å; V239-P353 HydrophobicContact CB-CB 4.19Å; V239-P353 HydrophobicContact CB-CG 4.36Å; V239-P353 HydrophobicContact CG1-CB 3.81Å; V239-I368 PolarHBondContact N-O 3.46Å; V239-Y369 HydrophobicContact CG2-CD2 4.19Å; V239-Y369 CarbonylContact O-C 3.37Å; V239-Y369 WeakPolarHBondContact O-CA 3.45Å; V239-I370 PolarHBondContact O-N 3.02Å; V239-W475 HydrophobicContact CB-CZ3 4.5Å; V239-W475 HydrophobicContact CG1-CH2 4.14Å; V239-W475 HydrophobicContact CG1-CZ3 3.94Å; V239-W475 HydrophobicContact CG2-CZ3 4.09Å; V239-M476 HydrophobicContact CG2-CG 4.39Å; V239-M476 HydrophobicContact CG2-SD 3.48Å; V239-M476 WeakPolarHBondContact CG2-SD 3.41Å
240G92.3Very high87.9Confident0 Ų037.4 Ų37.40%018%0.184CC..SBendtrans157.2174.1173.600000112K246G240-K246 PolarHBondContact O-NZ 2.81Å
241P92.2Very high88.5Confident0 Ų034.3 Ų34.30%017%0.174CC..  trans-58.5155.8-179.518.4-26.3000112.6T244 K246 L372 V464 L469 Y472P241-T244 HydrophobicContact CB-CG2 4.45Å; P241-T244 HydrophobicContact CG-CG2 3.79Å; P241-T244 PolarHBondContact O-OG1 3.31Å; P241-K246 PolarHBondContact O-NZ 2.77Å; P241-L372 HydrophobicContact CB-CD2 4.32Å; P241-L372 HydrophobicContact CG-CD2 3.73Å; P241-L372 HydrophobicContact CG-CG 3.99Å; P241-V464 HydrophobicContact CB-CG1 4.16Å; P241-V464 HydrophobicContact CB-CG2 3.62Å; P241-L469 HydrophobicContact CG-CD2 4.45Å; P241-Y472 HydrophobicContact CB-CE2 4.26Å
242P90.5Very high89.1Confident57 Ų5727.4 Ų27.437%0.3715%0.149SC..THydrogen-bonded Turntrans-63.1153.8175.828.5-35.1000110.9T244 N351 S408P242-T244 VanDerWaalsContact C-N 3.32Å; P242-T244 PolarHBondContact O-N 2.87Å; P242-N351 WeakPolarHBondContact CA-OD1 3.29Å; P242-S408 WeakPolarHBondContact O-CB 3.34Å
243G87.8Confident89.5Confident31 Ų3125.7 Ų25.732%0.3214%0.138SC..THydrogen-bonded Turntrans75.811.9174.900000115.9G409 A410G243-G409 CarbonylContact O-C 3.56Å; G243-G409 VanDerWaalsContact O-CA 3.32Å; G243-G409 WeakPolarHBondContact O-CA 3.38Å; G243-G409 PolarHBondContact O-N 2.94Å; G243-A410 PolarHBondContact O-N 2.99Å
244T89Confident89.7Confident14 Ų1420 Ų209%0.08612%0.116CC..SBendtrans-90.27.1176.351.80000114.7P241 P242 L372P241-T244 HydrophobicContact CB-CG2 4.45Å; P241-T244 HydrophobicContact CG-CG2 3.79Å; P241-T244 PolarHBondContact O-OG1 3.31Å; P242-T244 VanDerWaalsContact C-N 3.32Å; P242-T244 PolarHBondContact O-N 2.87Å; T244-L372 HydrophobicContact CG2-CD2 3.95Å
245G87.6Confident90.2Very high25 Ų2517.4 Ų17.426%0.25811%0.107SC..SBendtrans82.721.2175.500000115.5T247 M248 L249G245-T247 VanDerWaalsContact C-N 3.28Å; G245-T247 PolarHBondContact O-N 3.37Å; G245-M248 WeakPolarHBondContact O-CA 3.33Å; G245-M248 WeakPolarHBondContact O-CB 3.28Å; G245-M248 PolarHBondContact O-N 3.46Å; G245-L249 PolarHBondContact O-N 3.06Å
246K91.6Very high90.2Very high10 Ų1020.1 Ų20.14%0.04312%0.12CC..Hα-helixtrans-51.8-45.1175.9-50.3-163.8-84.9-80.40112.9M238 G240 P241 M248 L249 A250 A349 T350 N351 I370M238-K246 HydrophobicContact CB-CD 4.33Å; G240-K246 PolarHBondContact O-NZ 2.81Å; P241-K246 PolarHBondContact O-NZ 2.77Å; K246-M248 VanDerWaalsContact C-N 3.34Å; K246-M248 PolarHBondContact O-N 2.73Å; K246-L249 PolarHBondContact O-N 3.05Å; K246-A250 PolarHBondContact O-N 3.34Å; K246-A250 VanDerWaalsContact O-N 3.07Å; K246-A349 HydrophobicContact CB-CB 4.15Å; K246-A349 HydrophobicContact CD-CB 4.35Å; K246-T350 WeakPolarHBondContact CE-O 3.43Å; K246-N351 WeakPolarHBondContact CE-OD1 3.42Å; K246-N351 PolarHBondContact NZ-OD1 2.72Å; K246-I370 HydrophobicContact CB-CD1 4.06Å; K246-I370 HydrophobicContact CD-CD1 4.03Å; K246-I370 HydrophobicContact CG-CD1 3.58Å
247T90.2Very high89.8Confident39 Ų3921.1 Ų21.124%0.23913%0.126CC..Hα-helixtrans-67-33176.2-41.60000112.2G245 K251 F297 D299G245-T247 VanDerWaalsContact C-N 3.28Å; G245-T247 PolarHBondContact O-N 3.37Å; T247-K251 WeakPolarHBondContact O-CG 3.44Å; T247-K251 PolarHBondContact O-N 3.35Å; T247-F297 HydrophobicContact CG2-CD1 4.45Å; T247-F297 HydrophobicContact CG2-CE1 3.7Å; T247-F297 HydrophobicContact CG2-CZ 4.32Å; T247-D299 PolarHBondContact OG1-OD2 3.43Å
248M89.7Confident89.3Confident91 Ų9123.7 Ų23.745%0.44815%0.154SC..Hα-helixtrans-71.5-40.9175.8-68-176.769.400111.4I202 G245 K246 A250 K251 A252I202-M248 HydrophobicContact CD1-CB 4.31Å; G245-M248 WeakPolarHBondContact O-CA 3.33Å; G245-M248 WeakPolarHBondContact O-CB 3.28Å; G245-M248 PolarHBondContact O-N 3.46Å; K246-M248 VanDerWaalsContact C-N 3.34Å; K246-M248 PolarHBondContact O-N 2.73Å; M248-A250 PolarHBondContact O-N 3.33Å; M248-K251 WeakPolarHBondContact O-CB 3.37Å; M248-K251 PolarHBondContact O-N 3.16Å; M248-A252 PolarHBondContact O-N 3.46Å
249L91Very high88.9Confident0 Ų024 Ų240%016%0.155CC..Hα-helixtrans-58.9-45.9173.3-75.6166.5000111.4W199 I202 L205 K209 L212 M238 G245 K246 K251 A252 V253 I370W199-L249 HydrophobicContact CE3-CD2 4.35Å; W199-L249 HydrophobicContact CZ3-CD2 3.68Å; I202-L249 HydrophobicContact CD1-CD2 3.76Å; I202-L249 HydrophobicContact CD1-CG 4.1Å; I202-L249 HydrophobicContact CG2-CD2 4.07Å; L205-L249 HydrophobicContact CD1-CD1 4Å; K209-L249 HydrophobicContact CG-CD2 4.22Å; L212-L249 HydrophobicContact CD1-CB 4.15Å; L212-L249 HydrophobicContact CD1-CD2 4.39Å; M238-L249 HydrophobicContact SD-CB 4.38Å; G245-L249 PolarHBondContact O-N 3.06Å; K246-L249 PolarHBondContact O-N 3.05Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 2.61Å; L249-A252 PolarHBondContact O-N 3.02Å; L249-V253 VanDerWaalsContact O-CG2 3.29Å; L249-V253 WeakPolarHBondContact O-CG2 3.44Å; L249-V253 PolarHBondContact O-N 2.91Å; L249-I370 HydrophobicContact CD1-CD1 3.62Å; L249-I370 HydrophobicContact CD1-CG1 4.21Å; L249-I370 HydrophobicContact CD1-CG2 4.4Å
250A90.3Very high88.7Confident0 Ų025.2 Ų25.20%016%0.163CC..Hα-helixtrans-58.8-41176.800000112.5M238 K246 M248 A254 F261 F297 L347M238-A250 HydrophobicContact CE-CB 4.01Å; K246-A250 PolarHBondContact O-N 3.34Å; K246-A250 VanDerWaalsContact O-N 3.07Å; M248-A250 PolarHBondContact O-N 3.33Å; A250-A254 PolarHBondContact O-N 3.5Å; A250-A254 VanDerWaalsContact O-N 3.12Å; A250-F261 HydrophobicContact CB-CE2 4.02Å; A250-F261 HydrophobicContact CB-CZ 4.15Å; A250-F297 HydrophobicContact CB-CB 4.4Å; A250-F297 HydrophobicContact CB-CD1 4.37Å; A250-F297 HydrophobicContact CB-CD2 3.36Å; A250-F297 HydrophobicContact CB-CE2 3.63Å; A250-F297 HydrophobicContact CB-CG 3.78Å; A250-F297 HydrophobicContact CB-CZ 4.23Å; A250-L347 HydrophobicContact CB-CD1 4.2Å
251K90.1Very high88.6Confident66 Ų6625.2 Ų25.229%0.28716%0.163SC..Hα-helixtrans-66.8-43.2176.1-74.7175.6179.6-178.70112.3P195 V197 T247 M248 L249 V253 A254 T255 F261P195-K251 HydrophobicContact CB-CB 3.8Å; P195-K251 HydrophobicContact CB-CD 3.98Å; P195-K251 HydrophobicContact CB-CG 3.68Å; P195-K251 HydrophobicContact CG-CB 3.86Å; P195-K251 HydrophobicContact CG-CG 3.95Å; V197-K251 HydrophobicContact CB-CB 4.32Å; V197-K251 HydrophobicContact CG2-CB 4.24Å; T247-K251 WeakPolarHBondContact O-CG 3.44Å; T247-K251 PolarHBondContact O-N 3.35Å; M248-K251 WeakPolarHBondContact O-CB 3.37Å; M248-K251 PolarHBondContact O-N 3.16Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 2.61Å; K251-V253 VanDerWaalsContact C-N 3.34Å; K251-V253 PolarHBondContact O-N 2.71Å; K251-A254 PolarHBondContact O-N 3.28Å; K251-T255 PolarHBondContact O-N 3.38Å; K251-T255 PolarHBondContact O-OG1 2.99Å; K251-F261 HydrophobicContact CG-CD1 4.42Å; K251-F261 HydrophobicContact CG-CE1 3.76Å; K251-F261 HydrophobicContact CG-CZ 3.84Å
252A90.1Very high88.5Confident1 Ų125.3 Ų25.31%0.00816%0.163CC..Hα-helixtrans-62.3-41.5177.100000112.1V197 W199 I202 M248 L249 A254 T255 E256V197-A252 HydrophobicContact CG1-CB 4.27Å; V197-A252 WeakPolarHBondContact O-CA 3.44Å; W199-A252 HydrophobicContact CD2-CB 4.08Å; W199-A252 HydrophobicContact CE3-CB 4.08Å; W199-A252 HydrophobicContact CZ3-CB 4.38Å; I202-A252 HydrophobicContact CD1-CB 3.63Å; M248-A252 PolarHBondContact O-N 3.46Å; L249-A252 PolarHBondContact O-N 3.02Å; A252-A254 PolarHBondContact O-N 2.94Å; A252-T255 PolarHBondContact O-N 3.31Å; A252-E256 PolarHBondContact O-N 3.39Å
253V88.6Confident88.5Confident0 Ų025.2 Ų25.20%016%0.16CC..Hα-helixtrans-58.2-48.2173.5171.20000110.9W199 L212 V216 L249 K251 T255 E256 C257 M345 L347W199-V253 HydrophobicContact CH2-CB 4.46Å; W199-V253 HydrophobicContact CH2-CG2 3.31Å; W199-V253 HydrophobicContact CZ2-CB 4.31Å; W199-V253 HydrophobicContact CZ2-CG2 3.54Å; W199-V253 HydrophobicContact CZ3-CG2 4.42Å; L212-V253 HydrophobicContact CB-CG2 4.18Å; L212-V253 HydrophobicContact CD1-CG2 4.2Å; V216-V253 HydrophobicContact CB-CG1 3.9Å; V216-V253 HydrophobicContact CG1-CG1 3.51Å; V216-V253 HydrophobicContact CG2-CG1 4.02Å; L249-V253 VanDerWaalsContact O-CG2 3.29Å; L249-V253 WeakPolarHBondContact O-CG2 3.44Å; L249-V253 PolarHBondContact O-N 2.91Å; K251-V253 VanDerWaalsContact C-N 3.34Å; K251-V253 PolarHBondContact O-N 2.71Å; V253-T255 VanDerWaalsContact C-N 3.27Å; V253-T255 PolarHBondContact O-N 3.13Å; V253-E256 PolarHBondContact O-N 3.47Å; V253-C257 WeakPolarHBondContact O-CB 3.37Å; V253-C257 PolarHBondContact O-N 3.01Å; V253-C257 PolarHBondContact O-SG 3.03Å; V253-M345 HydrophobicContact CG1-CE 4.44Å; V253-L347 HydrophobicContact CG1-CD1 4.37Å
254A88.1Confident88.6Confident0 Ų023.8 Ų23.80%015%0.145CC..Hα-helixtrans-62.2-36.7-179.500000112.5P195 A250 K251 A252 G258 T259 F261P195-A254 HydrophobicContact CG-CB 4.27Å; A250-A254 PolarHBondContact O-N 3.5Å; A250-A254 VanDerWaalsContact O-N 3.12Å; K251-A254 PolarHBondContact O-N 3.28Å; A252-A254 PolarHBondContact O-N 2.94Å; A254-G258 PolarHBondContact O-N 3.12Å; A254-T259 PolarHBondContact O-N 3.08Å; A254-T259 VanDerWaalsContact O-N 3.12Å; A254-F261 HydrophobicContact CB-CB 3.85Å; A254-F261 HydrophobicContact CB-CD2 3.51Å; A254-F261 HydrophobicContact CB-CE2 4.34Å; A254-F261 HydrophobicContact CB-CG 3.99Å
255T88.2Confident88.4Confident29 Ų2924.9 Ų24.918%0.17815%0.153CC..Hα-helixtrans-72.7-41.2178-66.30000113P195 V197 K251 A252 V253 C257 G258P195-T255 PolarHBondContact O-OG1 3.34Å; V197-T255 WeakPolarHBondContact O-CB 3.46Å; K251-T255 PolarHBondContact O-N 3.38Å; K251-T255 PolarHBondContact O-OG1 2.99Å; A252-T255 PolarHBondContact O-N 3.31Å; V253-T255 VanDerWaalsContact C-N 3.27Å; V253-T255 PolarHBondContact O-N 3.13Å; T255-C257 VanDerWaalsContact C-N 3.3Å; T255-C257 PolarHBondContact O-N 3.35Å; T255-G258 PolarHBondContact O-N 3.24Å
256E86.2Confident87.8Confident57 Ų5724.4 Ų24.427%0.26615%0.146SC..Hα-helixtrans-65.2-36.8174.3-170.9-175.4-159.700111.2W199 R213 V217 A252 V253 G258W199-E256 VanDerWaalsContact CE2-OE2 3.29Å; W199-E256 PolarHBondContact NE1-OE2 3.13Å; R213-E256 IonicContact CZ-OE1 3.37Å; R213-E256 IonicContact NE-OE1 3.48Å; R213-E256 PolarHBondContact NE-OE1 3.32Å; R213-E256 IonicContact NE-OE2 3.05Å; R213-E256 IonicContact NH2-OE1 3.39Å; R213-E256 PolarHBondContact NH2-OE1 3.03Å; V217-E256 WeakPolarHBondContact CG2-OE2 3.49Å; A252-E256 PolarHBondContact O-N 3.39Å; V253-E256 PolarHBondContact O-N 3.47Å; E256-G258 VanDerWaalsContact C-N 3.35Å
257C82.8Confident87Confident21 Ų2127.6 Ų27.614%0.14217%0.169CC..Hα-helixtrans-79.9-16.2179.9-62.30000113.5M220 V253 T255 T259M220-C257 HydrophobicContact CE-CB 4.39Å; M220-C257 HydrophobicContact SD-CB 3.59Å; M220-C257 VanDerWaalsContact SD-CB 3.59Å; V253-C257 WeakPolarHBondContact O-CB 3.37Å; V253-C257 PolarHBondContact O-N 3.01Å; V253-C257 PolarHBondContact O-SG 3.03Å; T255-C257 VanDerWaalsContact C-N 3.3Å; T255-C257 PolarHBondContact O-N 3.35Å; C257-T259 VanDerWaalsContact C-N 3.25Å; C257-T259 HydrophobicContact CB-CG2 3.74Å; C257-T259 PolarHBondContact O-N 3.28Å
258G84.1Confident86.4Confident56 Ų5628 Ų2858%0.57717%0.172SC*.THydrogen-bonded Turntrans61.931.2-174.300000113.4A254 T255 E256A254-G258 PolarHBondContact O-N 3.12Å; T255-G258 PolarHBondContact O-N 3.24Å; E256-G258 VanDerWaalsContact C-N 3.35Å
259T84.3Confident85.7Confident6 Ų623.8 Ų23.84%0.03715%0.151CC..PPolyproline II helixtrans-96.6150.4-178.3610000111.6M220 A254 C257 F261 P293 T295M220-T259 HydrophobicContact CE-CG2 3.6Å; M220-T259 HydrophobicContact SD-CG2 4.04Å; A254-T259 PolarHBondContact O-N 3.08Å; A254-T259 VanDerWaalsContact O-N 3.12Å; C257-T259 VanDerWaalsContact C-N 3.25Å; C257-T259 HydrophobicContact CB-CG2 3.74Å; C257-T259 PolarHBondContact O-N 3.28Å; T259-F261 PolarHBondContact O-N 2.63Å; T259-P293 WeakPolarHBondContact CB-O 3.32Å; T259-P293 HydrophobicContact CG2-CB 3.96Å; T259-P293 HydrophobicContact CG2-CG 4.21Å; T259-T295 PolarHBondContact OG1-OG1 2.95Å
260T87.4Confident84.8Confident26 Ų2627.7 Ų27.716%0.1618%0.175CC..EExtended strand (participates in β ladder)trans-59.9126.9170.3-50.70000109.7V191 F262 Y291 P293 T294 T295V191-T260 HydrophobicContact CG1-CG2 3.68Å; T260-F262 HydrophobicContact CG2-CD2 4.06Å; T260-F262 HydrophobicContact CG2-CE2 3.55Å; T260-F262 HydrophobicContact CG2-CZ 4.44Å; T260-Y291 PolarHBondContact OG1-O 3.03Å; T260-P293 PolarHBondContact N-O 3.35Å; T260-P293 VanDerWaalsContact N-O 3.11Å; T260-T294 WeakPolarHBondContact O-CA 3.46Å; T260-T295 PolarHBondContact O-N 2.62Å
261F90.9Very high83.9Confident1 Ų129.3 Ų29.30%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-100.7118.9-179.1-175.3-108.5000111S192 P195 A250 K251 A254 T259 N263 T295 F297S192-F261 PolarHBondContact N-O 3.39Å; S192-F261 WeakPolarHBondContact O-CA 3.39Å; S192-F261 WeakPolarHBondContact O-CB 3.41Å; S192-F261 PolarHBondContact O-N 3Å; P195-F261 HydrophobicContact CG-CB 4.11Å; P195-F261 HydrophobicContact CG-CD1 4.17Å; P195-F261 HydrophobicContact CG-CG 4.13Å; A250-F261 HydrophobicContact CB-CE2 4.02Å; A250-F261 HydrophobicContact CB-CZ 4.15Å; K251-F261 HydrophobicContact CG-CD1 4.42Å; K251-F261 HydrophobicContact CG-CE1 3.76Å; K251-F261 HydrophobicContact CG-CZ 3.84Å; A254-F261 HydrophobicContact CB-CB 3.85Å; A254-F261 HydrophobicContact CB-CD2 3.51Å; A254-F261 HydrophobicContact CB-CE2 4.34Å; A254-F261 HydrophobicContact CB-CG 3.99Å; T259-F261 PolarHBondContact O-N 2.63Å; F261-N263 HydrophobicContact CD1-CB 4.16Å; F261-N263 HydrophobicContact CE1-CB 3.69Å; F261-T295 HydrophobicContact CD2-CG2 4.21Å; F261-T295 HydrophobicContact CE2-CG2 4.47Å; F261-F297 HydrophobicContact CD2-CB 4.39Å; F261-F297 HydrophobicContact CE1-CB 4.4Å; F261-F297 HydrophobicContact CE2-CB 3.4Å; F261-F297 VanDerWaalsContact CE2-CB 3.4Å; F261-F297 HydrophobicContact CE2-CG 4.1Å; F261-F297 HydrophobicContact CZ-CB 3.41Å; F261-F297 VanDerWaalsContact CZ-CB 3.41Å; F261-F297 AromaticContact CZ-CD1 3.85Å; F261-F297 HydrophobicContact CZ-CD1 3.85Å; F261-F297 AromaticContact CZ-CG 3.78Å; F261-F297 HydrophobicContact CZ-CG 3.78Å
262F90.9Very high82.8Confident1 Ų136.2 Ų36.20%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-99.7110.2173.2-76-111.5000108.5I190 V191 T260 V264 L284 M287 A288 Y291 T294 T295 I296 F297I190-F262 HydrophobicContact CB-CD1 4.39Å; I190-F262 HydrophobicContact CG2-CB 3.65Å; I190-F262 HydrophobicContact CG2-CD1 3.59Å; I190-F262 HydrophobicContact CG2-CG 4.02Å; I190-F262 WeakPolarHBondContact O-CA 3.46Å; V191-F262 HydrophobicContact CG2-CD1 4Å; V191-F262 HydrophobicContact CG2-CE1 3.51Å; V191-F262 HydrophobicContact CG2-CE2 4.39Å; V191-F262 HydrophobicContact CG2-CZ 3.74Å; T260-F262 HydrophobicContact CG2-CD2 4.06Å; T260-F262 HydrophobicContact CG2-CE2 3.55Å; T260-F262 HydrophobicContact CG2-CZ 4.44Å; F262-V264 HydrophobicContact CB-CG2 4.44Å; F262-L284 HydrophobicContact CD1-CD1 3.56Å; F262-L284 HydrophobicContact CE1-CD1 4.2Å; F262-L284 HydrophobicContact CG-CD1 4.39Å; F262-M287 HydrophobicContact CE1-CB 4.19Å; F262-M287 HydrophobicContact CE1-CE 4.47Å; F262-M287 HydrophobicContact CZ-CB 4.33Å; F262-A288 HydrophobicContact CE2-CB 4.49Å; F262-Y291 HydrophobicContact CZ-CD2 4.05Å; F262-T294 HydrophobicContact CD2-CG2 3.18Å; F262-T294 HydrophobicContact CE2-CG2 3.27Å; F262-T294 HydrophobicContact CG-CG2 4.25Å; F262-T294 HydrophobicContact CZ-CG2 4.39Å; F262-T295 PolarHBondContact N-O 2.99Å; F262-I296 HydrophobicContact CB-CG1 4.38Å; F262-I296 HydrophobicContact CB-CG2 4.48Å; F262-F297 PolarHBondContact O-N 2.93Å
263N90.6Very high81.9Confident56 Ų5644.3 Ų44.330%0.29925%0.248SC..EExtended strand (participates in β ladder)trans-92.998.9176.3-172.117.9000110.3I190 F261 F297I190-N263 PolarHBondContact O-N 3.2Å; F261-N263 HydrophobicContact CD1-CB 4.16Å; F261-N263 HydrophobicContact CE1-CB 3.69Å; N263-F297 WeakPolarHBondContact OD1-CD1 3.22Å
264V88.8Confident81.1Confident0 Ų054.1 Ų54.10%029%0.285CS..EExtended strand (participates in β ladder)trans-102.8113.3-176.7-173.10000108.9I190 F262 L269 L284 I296 F297 I298 D299I190-V264 HydrophobicContact CD1-CG2 4.47Å; I190-V264 HydrophobicContact CG2-CG2 3.66Å; F262-V264 HydrophobicContact CB-CG2 4.44Å; V264-L269 HydrophobicContact CG1-CD1 3.49Å; V264-L269 VanDerWaalsContact CG1-CD1 3.49Å; V264-L269 HydrophobicContact CG1-CD2 3.88Å; V264-L269 HydrophobicContact CG1-CG 3.51Å; V264-L284 HydrophobicContact CG1-CD2 4.3Å; V264-L284 HydrophobicContact CG2-CD1 3.88Å; V264-L284 HydrophobicContact CG2-CD2 3.73Å; V264-L284 HydrophobicContact CG2-CG 4.45Å; V264-I296 HydrophobicContact CG2-CG2 4.04Å; V264-F297 WeakPolarHBondContact CB-O 3.33Å; V264-F297 PolarHBondContact N-O 2.86Å; V264-I298 HydrophobicContact CB-CG1 4.4Å; V264-I298 WeakPolarHBondContact O-CA 3.41Å; V264-D299 PolarHBondContact O-N 2.76Å
265S84.5Confident80.6Confident37 Ų3755.6 Ų55.626%0.25930%0.3SS..EExtended strand (participates in β ladder)trans-86.41511661780000109.6S267 T268S265-S267 PolarHBondContact O-N 3.24Å; S265-S267 PolarHBondContact OG-OG 3.4Å; S265-T268 WeakPolarHBondContact O-CB 3.47Å; S265-T268 PolarHBondContact O-N 3.28Å; S265-T268 VanDerWaalsContact O-N 3.11Å
266S75.8Confident80.3Confident16 Ų1656.3 Ų56.311%0.11230%0.301CS..Hα-helixtrans-54.1-38.517355.40000113.7T268 L269 T270 S303S266-T268 VanDerWaalsContact C-N 3.31Å; S266-T268 PolarHBondContact O-N 3.23Å; S266-L269 PolarHBondContact O-N 3.1Å; S266-T270 PolarHBondContact O-N 2.93Å; S266-T270 PolarHBondContact O-OG1 3.12Å; S266-S303 WeakPolarHBondContact CB-OG 3.16Å; S266-S303 PolarHBondContact OG-OG 2.99Å
267S75.2Confident80.2Confident76 Ų7654 Ų5453%0.53129%0.291SS..Hα-helixtrans-59-38.3176.658.80000113.3S265 L269 T270S265-S267 PolarHBondContact O-N 3.24Å; S265-S267 PolarHBondContact OG-OG 3.4Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.76Å; S267-T270 PolarHBondContact O-N 2.78Å; S267-T270 PolarHBondContact O-OG1 3Å; S267-T270 VanDerWaalsContact O-OG1 3.11Å
268T77.1Confident80.4Confident48 Ų4855.3 Ų55.329%0.29430%0.295SS..Hα-helixtrans-68.1-28.5179.4-46.90000112I190 S265 S266I190-T268 HydrophobicContact CD1-CG2 3.79Å; I190-T268 HydrophobicContact CG1-CG2 4.03Å; S265-T268 WeakPolarHBondContact O-CB 3.47Å; S265-T268 PolarHBondContact O-N 3.28Å; S265-T268 VanDerWaalsContact O-N 3.11Å; S266-T268 VanDerWaalsContact C-N 3.31Å; S266-T268 PolarHBondContact O-N 3.23Å
269L74.7Confident80.5Confident3 Ų358.4 Ų58.42%0.01629%0.293CS..Hα-helixtrans-86.1-12.3-179.7-67.5179.9000113.5V264 S266 S267 S277 V281 L284 I304V264-L269 HydrophobicContact CG1-CD1 3.49Å; V264-L269 VanDerWaalsContact CG1-CD1 3.49Å; V264-L269 HydrophobicContact CG1-CD2 3.88Å; V264-L269 HydrophobicContact CG1-CG 3.51Å; S266-L269 PolarHBondContact O-N 3.1Å; S267-L269 VanDerWaalsContact C-N 3.27Å; S267-L269 PolarHBondContact O-N 2.76Å; L269-S277 VanDerWaalsContact O-CB 3.26Å; L269-S277 WeakPolarHBondContact O-CB 3.43Å; L269-V281 HydrophobicContact CD2-CG2 3.98Å; L269-L284 HydrophobicContact CD2-CD2 4.32Å; L269-I304 HydrophobicContact CB-CD1 4.24Å; L269-I304 HydrophobicContact CD1-CD1 3.56Å; L269-I304 HydrophobicContact CG-CD1 4.45Å
270T72.7Confident80.6Confident81 Ų8158.8 Ų58.850%0.49730%0.295SS..  trans-102.6102.7-179.556.10000111.6S266 S267S266-T270 PolarHBondContact O-N 2.93Å; S266-T270 PolarHBondContact O-OG1 3.12Å; S267-T270 PolarHBondContact O-N 2.78Å; S267-T270 PolarHBondContact O-OG1 3Å; S267-T270 VanDerWaalsContact O-OG1 3.11Å
271S70.6Confident80.7Confident34 Ų3457.5 Ų57.524%0.23829%0.287CS..  trans-94.7153.9169179.10000112.5Y273 E276 S277S271-Y273 VanDerWaalsContact C-N 3.28Å; S271-Y273 PolarHBondContact OG-N 2.99Å; S271-Y273 VanDerWaalsContact OG-N 3.15Å; S271-E276 WeakPolarHBondContact CB-OE2 3.32Å; S271-E276 PolarHBondContact OG-OE2 2.89Å; S271-S277 PolarHBondContact N-OG 3.47Å
272K68.5Low80.5Confident211 Ų21162.7 Ų62.792%0.91731%0.307SS*.SBendtrans-71.3-23170.8-67.1-178.6-178.7176.90112.4
273Y70.8Confident80.4Confident172 Ų17262.7 Ų62.768%0.67531%0.307SS*.SBendtrans-85.5126.6-177-60.4-84.8000111S271 G275 E276S271-Y273 VanDerWaalsContact C-N 3.28Å; S271-Y273 PolarHBondContact OG-N 2.99Å; S271-Y273 VanDerWaalsContact OG-N 3.15Å; Y273-G275 PolarHBondContact O-N 3.49Å; Y273-E276 WeakPolarHBondContact CB-OE2 3.47Å; Y273-E276 VanDerWaalsContact CD2-OE2 3.3Å; Y273-E276 WeakPolarHBondContact CD2-OE2 3.16Å; Y273-E276 PolarHBondContact O-N 2.83Å
274R71.8Confident80.3Confident206 Ų20660.1 Ų60.178%0.77729%0.293SS*.THydrogen-bonded Turntrans-59.6124.6-178-116.8-179.4170.498.51.6110.6E276 E315R274-E276 VanDerWaalsContact C-N 3.27Å; R274-E276 PolarHBondContact O-N 2.82Å; R274-E315 IonicContact CZ-OE2 2.68Å; R274-E315 IonicContact NE-OE2 3.08Å; R274-E315 IonicContact NH2-OE2 3.65Å; R274-E315 PolarHBondContact NH2-OE2 3.28Å
275G77.3Confident80.3Confident31 Ų3160.1 Ų60.132%0.3229%0.293SS..THydrogen-bonded Turntrans81-4.7176.800000115.3Y273Y273-G275 PolarHBondContact O-N 3.49Å
276E82.4Confident80.4Confident43 Ų4362 Ų6220%0.20130%0.297CS..Hα-helixtrans-71.8-43.9174.1-170.5177-152.700110.8L182 S271 Y273 R274 E278 K279 L280L182-E276 HydrophobicContact CD1-CG 4.45Å; L182-E276 WeakPolarHBondContact CD2-OE1 3.49Å; S271-E276 WeakPolarHBondContact CB-OE2 3.32Å; S271-E276 PolarHBondContact OG-OE2 2.89Å; Y273-E276 WeakPolarHBondContact CB-OE2 3.47Å; Y273-E276 VanDerWaalsContact CD2-OE2 3.3Å; Y273-E276 WeakPolarHBondContact CD2-OE2 3.16Å; Y273-E276 PolarHBondContact O-N 2.83Å; R274-E276 VanDerWaalsContact C-N 3.27Å; R274-E276 PolarHBondContact O-N 2.82Å; E276-E278 VanDerWaalsContact C-N 3.26Å; E276-E278 PolarHBondContact O-N 2.98Å; E276-E278 VanDerWaalsContact O-N 3.17Å; E276-K279 WeakPolarHBondContact O-CA 3.36Å; E276-K279 WeakPolarHBondContact O-CB 3.48Å; E276-K279 PolarHBondContact O-N 2.92Å; E276-L280 HydrophobicContact CG-CD1 4.43Å; E276-L280 HydrophobicContact CG-CG 4.36Å; E276-L280 WeakPolarHBondContact O-CG 3.33Å; E276-L280 PolarHBondContact O-N 3.23Å
277S84.1Confident80.8Confident8 Ų861.2 Ų61.26%0.05629%0.292CS..Hα-helixtrans-55.2-36.6179.9-47.60000114L269 S271 L280 V281L269-S277 VanDerWaalsContact O-CB 3.26Å; L269-S277 WeakPolarHBondContact O-CB 3.43Å; S271-S277 PolarHBondContact N-OG 3.47Å; S277-L280 PolarHBondContact O-N 2.99Å; S277-V281 WeakPolarHBondContact O-CG2 3.46Å; S277-V281 PolarHBondContact O-N 3.18Å
278E85.7Confident81.4Confident49 Ų4957.6 Ų57.623%0.22927%0.267CS..Hα-helixtrans-68.7-41175.3-69.7160.4-126.700112E276 L280 V281 R282 R319 E323E276-E278 VanDerWaalsContact C-N 3.26Å; E276-E278 PolarHBondContact O-N 2.98Å; E276-E278 VanDerWaalsContact O-N 3.17Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.28Å; E278-V281 PolarHBondContact O-N 3.25Å; E278-R282 PolarHBondContact O-N 3.45Å; E278-R319 HydrophobicContact CG-CB 3.92Å; E278-R319 WeakPolarHBondContact OE1-CB 3.48Å; E278-R319 WeakPolarHBondContact OE1-CD 3.25Å; E278-E323 HydrophobicContact CG-CB 4.49Å
279K86.5Confident81.8Confident122 Ų12260.1 Ų60.153%0.5327%0.271SS..Hα-helixtrans-63.7-38.9175.7-66.2177.6-179.2-177.90110.8Y178 E276 R282 L283Y178-K279 HydrophobicContact CE1-CB 4.38Å; E276-K279 WeakPolarHBondContact O-CA 3.36Å; E276-K279 WeakPolarHBondContact O-CB 3.48Å; E276-K279 PolarHBondContact O-N 2.92Å; K279-R282 PolarHBondContact O-N 3.34Å; K279-L283 VanDerWaalsContact O-CB 3.27Å; K279-L283 WeakPolarHBondContact O-CB 3.47Å; K279-L283 PolarHBondContact O-N 3.44Å
280L86.9Confident82.3Confident13 Ų1364.1 Ų64.17%0.06829%0.288CS..Hα-helixtrans-62.3-42.9176.7-62.2176.7000111.6L182 L186 E276 S277 E278 L283 L284L182-L280 HydrophobicContact CB-CD2 4.48Å; L182-L280 HydrophobicContact CD1-CD2 4.44Å; L182-L280 HydrophobicContact CD2-CD2 4.44Å; L186-L280 HydrophobicContact CD1-CD2 3.67Å; E276-L280 HydrophobicContact CG-CD1 4.43Å; E276-L280 HydrophobicContact CG-CG 4.36Å; E276-L280 WeakPolarHBondContact O-CG 3.33Å; E276-L280 PolarHBondContact O-N 3.23Å; S277-L280 PolarHBondContact O-N 2.99Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.28Å; L280-L283 PolarHBondContact O-N 3.09Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.36Å; L280-L284 PolarHBondContact O-N 3.04Å
281V88.4Confident82.8Confident0 Ų061.6 Ų61.60%027%0.27CS..Hα-helixtrans-62.8-44.5175.2175.50000111L269 S277 E278 L284 F285 V320 E323 L324 Q327L269-V281 HydrophobicContact CD2-CG2 3.98Å; S277-V281 WeakPolarHBondContact O-CG2 3.46Å; S277-V281 PolarHBondContact O-N 3.18Å; E278-V281 PolarHBondContact O-N 3.25Å; V281-L284 PolarHBondContact O-N 3.13Å; V281-F285 HydrophobicContact CG1-CD2 4.17Å; V281-F285 HydrophobicContact CG1-CE2 4.2Å; V281-F285 WeakPolarHBondContact O-CD2 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å; V281-V320 HydrophobicContact CG2-CG1 3.98Å; V281-E323 HydrophobicContact CB-CG 4.1Å; V281-E323 HydrophobicContact CG1-CB 4.45Å; V281-E323 HydrophobicContact CG1-CG 3.99Å; V281-L324 HydrophobicContact CG1-CB 4.32Å; V281-L324 HydrophobicContact CG1-CD1 4.43Å; V281-Q327 HydrophobicContact CG1-CG 4.19Å
282R88Confident83.4Confident110 Ų11061.2 Ų61.242%0.41527%0.268SS..Hα-helixtrans-59.3-49.8176-72.8-176.8-179.8161.112.2112E278 K279 L284 F285 E286 E323E278-R282 PolarHBondContact O-N 3.45Å; K279-R282 PolarHBondContact O-N 3.34Å; R282-L284 VanDerWaalsContact C-N 3.34Å; R282-L284 PolarHBondContact O-N 3.11Å; R282-F285 PolarHBondContact O-N 3.29Å; R282-E286 WeakPolarHBondContact O-CB 3.49Å; R282-E286 PolarHBondContact O-N 3.11Å; R282-E323 HydrophobicContact CG-CG 3.98Å; R282-E323 WeakPolarHBondContact CG-OE1 3.38Å; R282-E323 IonicContact CZ-OE1 3.49Å; R282-E323 IonicContact CZ-OE2 3.06Å; R282-E323 IonicContact NE-OE1 3.75Å; R282-E323 PolarHBondContact NE-OE1 3.45Å; R282-E323 IonicContact NE-OE2 2.71Å; R282-E323 PolarHBondContact NE-OE2 3.24Å; R282-E323 VanDerWaalsContact NE-OE2 3.15Å; R282-E323 IonicContact NH2-OE1 3.41Å; R282-E323 IonicContact NH2-OE2 2.92Å; R282-E323 PolarHBondContact NH2-OE2 3.4Å
283L87.8Confident84.1Confident1 Ų153.3 Ų53.31%0.00524%0.239CC..Hα-helixtrans-60.2-43.7-180178.761.6000111.5F173 Y178 V183 L186 K279 L280 F285 E286 M287F173-L283 HydrophobicContact CD1-CD1 4.35Å; F173-L283 HydrophobicContact CE1-CD1 3.48Å; F173-L283 VanDerWaalsContact CE1-CD1 3.48Å; F173-L283 HydrophobicContact CZ-CD1 4.05Å; Y178-L283 HydrophobicContact CD1-CB 4.18Å; Y178-L283 HydrophobicContact CD1-CD1 4.34Å; Y178-L283 HydrophobicContact CD1-CD2 4.44Å; Y178-L283 HydrophobicContact CD2-CD1 3.85Å; Y178-L283 HydrophobicContact CE1-CB 4.04Å; Y178-L283 HydrophobicContact CE2-CD1 4.16Å; Y178-L283 HydrophobicContact CG-CD1 3.93Å; Y178-L283 HydrophobicContact CG-CD2 4.47Å; V183-L283 HydrophobicContact CG2-CD1 4.03Å; V183-L283 HydrophobicContact CG2-CD2 3.89Å; L186-L283 HydrophobicContact CD2-CD2 4.32Å; L186-L283 HydrophobicContact CD2-CG 4.41Å; K279-L283 VanDerWaalsContact O-CB 3.27Å; K279-L283 WeakPolarHBondContact O-CB 3.47Å; K279-L283 PolarHBondContact O-N 3.44Å; L280-L283 PolarHBondContact O-N 3.09Å; L283-F285 PolarHBondContact O-N 3.43Å; L283-E286 PolarHBondContact O-N 3.28Å; L283-E286 VanDerWaalsContact O-N 3.17Å; L283-M287 HydrophobicContact CD1-CG 4.1Å; L283-M287 HydrophobicContact CD1-SD 4.17Å; L283-M287 HydrophobicContact CG-CG 4.35Å; L283-M287 HydrophobicContact CG-SD 3.92Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.47Å; L283-M287 PolarHBondContact O-N 3.15Å
284L89.1Confident84.9Confident2 Ų245.2 Ų45.21%0.0121%0.207CC..Hα-helixtrans-54.9-49176.4172.870.1000111.8L186 I190 F262 V264 L269 L280 V281 R282 A288 I296L186-L284 HydrophobicContact CD2-CB 4.25Å; I190-L284 HydrophobicContact CD1-CD1 4.11Å; I190-L284 HydrophobicContact CG2-CD1 4.05Å; F262-L284 HydrophobicContact CD1-CD1 3.56Å; F262-L284 HydrophobicContact CE1-CD1 4.2Å; F262-L284 HydrophobicContact CG-CD1 4.39Å; V264-L284 HydrophobicContact CG1-CD2 4.3Å; V264-L284 HydrophobicContact CG2-CD1 3.88Å; V264-L284 HydrophobicContact CG2-CD2 3.73Å; V264-L284 HydrophobicContact CG2-CG 4.45Å; L269-L284 HydrophobicContact CD2-CD2 4.32Å; L280-L284 VanDerWaalsContact O-CB 3.26Å; L280-L284 WeakPolarHBondContact O-CB 3.36Å; L280-L284 PolarHBondContact O-N 3.04Å; V281-L284 PolarHBondContact O-N 3.13Å; R282-L284 VanDerWaalsContact C-N 3.34Å; R282-L284 PolarHBondContact O-N 3.11Å; L284-A288 VanDerWaalsContact O-CB 3.32Å; L284-A288 WeakPolarHBondContact O-CB 3.5Å; L284-A288 PolarHBondContact O-N 2.86Å; L284-I296 HydrophobicContact CD2-CG2 4.5Å
285F88.2Confident85.7Confident0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-71.6-31.2179.3-82.7-92.2000112.5V281 R282 L283 A288 R289 I296 L324 Q327 M328 V331 V346V281-F285 HydrophobicContact CG1-CD2 4.17Å; V281-F285 HydrophobicContact CG1-CE2 4.2Å; V281-F285 WeakPolarHBondContact O-CD2 3.36Å; V281-F285 PolarHBondContact O-N 3.38Å; R282-F285 PolarHBondContact O-N 3.29Å; L283-F285 PolarHBondContact O-N 3.43Å; F285-A288 PolarHBondContact O-N 2.96Å; F285-R289 VanDerWaalsContact O-CG 3.24Å; F285-R289 WeakPolarHBondContact O-CG 3.24Å; F285-R289 PolarHBondContact O-N 2.84Å; F285-I296 HydrophobicContact CD1-CD1 3.82Å; F285-I296 HydrophobicContact CE1-CD1 3.69Å; F285-I296 HydrophobicContact CG-CD1 4.33Å; F285-I296 HydrophobicContact CZ-CD1 4.09Å; F285-L324 HydrophobicContact CE2-CD1 3.64Å; F285-L324 HydrophobicContact CZ-CD1 3.88Å; F285-Q327 HydrophobicContact CB-CB 4.2Å; F285-Q327 HydrophobicContact CB-CG 4.27Å; F285-Q327 HydrophobicContact CD1-CB 3.98Å; F285-Q327 HydrophobicContact CD2-CB 3.5Å; F285-Q327 HydrophobicContact CD2-CG 3.91Å; F285-Q327 HydrophobicContact CE1-CB 4.2Å; F285-Q327 HydrophobicContact CE2-CB 3.75Å; F285-Q327 HydrophobicContact CG-CB 3.62Å; F285-Q327 HydrophobicContact CG-CG 4.13Å; F285-Q327 HydrophobicContact CZ-CB 4.09Å; F285-M328 HydrophobicContact CZ-CG 4.22Å; F285-V331 HydrophobicContact CD1-CG2 4.07Å; F285-V331 HydrophobicContact CE1-CG2 3.76Å; F285-V346 HydrophobicContact CE1-CG2 4.01Å; F285-V346 HydrophobicContact CZ-CG2 4.25Å
286E86.8Confident86.4Confident76 Ų7634 Ų3436%0.35516%0.156SC..Hα-helixtrans-67-44.8174.8-161173.6164.700111.6F173 Y178 R282 L283 R289 F290F173-E286 HydrophobicContact CE2-CB 4.44Å; F173-E286 HydrophobicContact CE2-CG 3.99Å; F173-E286 HydrophobicContact CZ-CB 4.13Å; F173-E286 HydrophobicContact CZ-CG 3.76Å; Y178-E286 WeakPolarHBondContact CE2-OE2 3.48Å; Y178-E286 PolarHBondContact OH-OE2 3.03Å; Y178-E286 VanDerWaalsContact OH-OE2 3.08Å; R282-E286 WeakPolarHBondContact O-CB 3.49Å; R282-E286 PolarHBondContact O-N 3.11Å; L283-E286 PolarHBondContact O-N 3.28Å; L283-E286 VanDerWaalsContact O-N 3.17Å; E286-R289 PolarHBondContact O-N 3.18Å; E286-F290 PolarHBondContact O-N 2.79Å
287M85.4Confident86.9Confident0 Ų032 Ų320%015%0.146CC..Hα-helixtrans-61.8-45172-70.1173.567.600111.4F173 V183 L186 E187 V191 F262 L283 R289 F290 Y291F173-M287 HydrophobicContact CD1-CG 3.84Å; F173-M287 HydrophobicContact CD2-CG 4.08Å; F173-M287 HydrophobicContact CE1-CG 3.95Å; F173-M287 HydrophobicContact CE2-CG 4.19Å; F173-M287 HydrophobicContact CG-CG 3.9Å; F173-M287 HydrophobicContact CZ-CG 4.13Å; V183-M287 HydrophobicContact CG1-SD 4.38Å; L186-M287 HydrophobicContact CB-CE 4.37Å; L186-M287 HydrophobicContact CB-SD 4.15Å; L186-M287 HydrophobicContact CD2-SD 4.28Å; E187-M287 HydrophobicContact CB-CE 4.31Å; E187-M287 HydrophobicContact CG-CE 3.25Å; V191-M287 HydrophobicContact CG2-CE 4.46Å; F262-M287 HydrophobicContact CE1-CB 4.19Å; F262-M287 HydrophobicContact CE1-CE 4.47Å; F262-M287 HydrophobicContact CZ-CB 4.33Å; L283-M287 HydrophobicContact CD1-CG 4.1Å; L283-M287 HydrophobicContact CD1-SD 4.17Å; L283-M287 HydrophobicContact CG-CG 4.35Å; L283-M287 HydrophobicContact CG-SD 3.92Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.47Å; L283-M287 PolarHBondContact O-N 3.15Å; M287-R289 VanDerWaalsContact C-N 3.27Å; M287-R289 PolarHBondContact O-N 2.84Å; M287-F290 WeakPolarHBondContact O-CB 3.42Å; M287-F290 PolarHBondContact O-N 2.87Å; M287-F290 VanDerWaalsContact O-N 3.08Å; M287-Y291 HydrophobicContact CB-CD2 4.42Å; M287-Y291 HydrophobicContact CE-CE2 4.49Å; M287-Y291 VanDerWaalsContact O-CD2 3.25Å; M287-Y291 WeakPolarHBondContact O-CD2 3.28Å; M287-Y291 PolarHBondContact O-N 2.91Å
288A87.6Confident87.3Confident0 Ų031.6 Ų31.60%014%0.143CC..Hα-helixtrans-60-37.6178.200000112.4F262 L284 F285 A292 T294 I296 V344F262-A288 HydrophobicContact CE2-CB 4.49Å; L284-A288 VanDerWaalsContact O-CB 3.32Å; L284-A288 WeakPolarHBondContact O-CB 3.5Å; L284-A288 PolarHBondContact O-N 2.86Å; F285-A288 PolarHBondContact O-N 2.96Å; A288-A292 PolarHBondContact O-N 3.32Å; A288-T294 HydrophobicContact CB-CG2 3.74Å; A288-T294 WeakPolarHBondContact O-CB 3.27Å; A288-T294 PolarHBondContact O-OG1 3.44Å; A288-I296 HydrophobicContact CB-CD1 3.67Å; A288-I296 HydrophobicContact CB-CG1 4Å; A288-V344 HydrophobicContact CB-CG1 4.12Å
289R84.9Confident87.5Confident101 Ų10130.8 Ų30.838%0.38114%0.141SC..Hα-helixtrans-69.6-35.3174.1-72171.8-170.1160.112.2112.4F285 E286 M287 A292 V344F285-R289 VanDerWaalsContact O-CG 3.24Å; F285-R289 WeakPolarHBondContact O-CG 3.24Å; F285-R289 PolarHBondContact O-N 2.84Å; E286-R289 PolarHBondContact O-N 3.18Å; M287-R289 VanDerWaalsContact C-N 3.27Å; M287-R289 PolarHBondContact O-N 2.84Å; R289-A292 WeakPolarHBondContact O-CB 3.46Å; R289-V344 HydrophobicContact CG-CG2 4.09Å
290F84.5Confident87.6Confident86 Ų8629.1 Ų29.138%0.37714%0.135SC..Hα-helixtrans-69.8-39.6176.4-178.6-97.8000112.5K171 K172 F173 E286 M287 A292K171-F290 HydrophobicContact CB-CE1 3.8Å; K171-F290 HydrophobicContact CB-CZ 4Å; K172-F290 WeakPolarHBondContact O-CZ 3.42Å; F173-F290 HydrophobicContact CB-CD1 4.16Å; F173-F290 HydrophobicContact CB-CE1 4.29Å; F173-F290 HydrophobicContact CD2-CB 3.65Å; F173-F290 AromaticContact CD2-CD1 3.91Å; F173-F290 HydrophobicContact CD2-CD1 3.91Å; F173-F290 HydrophobicContact CD2-CD2 4.21Å; F173-F290 AromaticContact CD2-CG 3.68Å; F173-F290 HydrophobicContact CD2-CG 3.68Å; F173-F290 HydrophobicContact CE2-CB 4.01Å; F173-F290 HydrophobicContact CE2-CG 4.38Å; E286-F290 PolarHBondContact O-N 2.79Å; M287-F290 WeakPolarHBondContact O-CB 3.42Å; M287-F290 PolarHBondContact O-N 2.87Å; M287-F290 VanDerWaalsContact O-N 3.08Å; F290-A292 VanDerWaalsContact C-N 3.29Å; F290-A292 PolarHBondContact O-N 3.24Å
291Y84.3Confident87.6Confident29 Ų2928.5 Ų28.511%0.11413%0.132CC..THydrogen-bonded Turntrans-8710.5178.4-72-63.8000114.5K171 F173 E187 T260 F262 M287 T294K171-Y291 WeakPolarHBondContact O-CE1 3.44Å; K171-Y291 PolarHBondContact O-OH 2.94Å; F173-Y291 HydrophobicContact CB-CE2 4.16Å; F173-Y291 PolarHBondContact N-OH 3.39Å; E187-Y291 PolarHBondContact OE1-OH 2.94Å; T260-Y291 PolarHBondContact OG1-O 3.03Å; F262-Y291 HydrophobicContact CZ-CD2 4.05Å; M287-Y291 HydrophobicContact CB-CD2 4.42Å; M287-Y291 HydrophobicContact CE-CE2 4.49Å; M287-Y291 VanDerWaalsContact O-CD2 3.25Å; M287-Y291 WeakPolarHBondContact O-CD2 3.28Å; M287-Y291 PolarHBondContact O-N 2.91Å; Y291-T294 VanDerWaalsContact C-OG1 3.23Å; Y291-T294 PolarHBondContact O-OG1 2.79Å; Y291-T294 VanDerWaalsContact O-OG1 3.13Å
292A82.6Confident87.4Confident25 Ų2529.6 Ų29.621%0.20714%0.137CC..  trans-57.9141.4-17700000112.1A288 R289 F290 T294 K342 V344A288-A292 PolarHBondContact O-N 3.32Å; R289-A292 WeakPolarHBondContact O-CB 3.46Å; F290-A292 VanDerWaalsContact C-N 3.29Å; F290-A292 PolarHBondContact O-N 3.24Å; A292-T294 PolarHBondContact N-OG1 3.24Å; A292-K342 HydrophobicContact CB-CB 4.39Å; A292-V344 HydrophobicContact CB-CG2 4.41Å
293P84.2Confident87.1Confident45 Ų4527.4 Ų27.429%0.29214%0.139SC..SBendcis-77.3135.96.833.2-37000113.5M220 T259 T260 M343M220-P293 HydrophobicContact CE-CB 4.12Å; M220-P293 HydrophobicContact CE-CG 4.39Å; T259-P293 WeakPolarHBondContact CB-O 3.32Å; T259-P293 HydrophobicContact CG2-CB 3.96Å; T259-P293 HydrophobicContact CG2-CG 4.21Å; T260-P293 PolarHBondContact N-O 3.35Å; T260-P293 VanDerWaalsContact N-O 3.11Å; P293-M343 WeakPolarHBondContact CA-O 3.44Å
294T86.6Confident86.5Confident2 Ų227.5 Ų27.51%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-134.7137.5-169.7-62.90000112T260 F262 A288 Y291 A292 I296 M343 V344 M345T260-T294 WeakPolarHBondContact O-CA 3.46Å; F262-T294 HydrophobicContact CD2-CG2 3.18Å; F262-T294 HydrophobicContact CE2-CG2 3.27Å; F262-T294 HydrophobicContact CG-CG2 4.25Å; F262-T294 HydrophobicContact CZ-CG2 4.39Å; A288-T294 HydrophobicContact CB-CG2 3.74Å; A288-T294 WeakPolarHBondContact O-CB 3.27Å; A288-T294 PolarHBondContact O-OG1 3.44Å; Y291-T294 VanDerWaalsContact C-OG1 3.23Å; Y291-T294 PolarHBondContact O-OG1 2.79Å; Y291-T294 VanDerWaalsContact O-OG1 3.13Å; A292-T294 PolarHBondContact N-OG1 3.24Å; T294-I296 HydrophobicContact CG2-CG1 4.24Å; T294-M343 PolarHBondContact N-O 2.86Å; T294-M343 VanDerWaalsContact N-O 3.15Å; T294-V344 WeakPolarHBondContact O-CA 3.47Å; T294-M345 PolarHBondContact O-N 3.17Å
295T88.7Confident85.5Confident2 Ų227.4 Ų27.41%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-108.3116.2169.4-63.70000109.7T259 T260 F261 F262 M345 L347T259-T295 PolarHBondContact OG1-OG1 2.95Å; T260-T295 PolarHBondContact O-N 2.62Å; F261-T295 HydrophobicContact CD2-CG2 4.21Å; F261-T295 HydrophobicContact CE2-CG2 4.47Å; F262-T295 PolarHBondContact N-O 2.99Å; T295-M345 HydrophobicContact CG2-CE 3.68Å; T295-M345 WeakPolarHBondContact OG1-CE 3.24Å; T295-L347 HydrophobicContact CG2-CD1 3.57Å; T295-L347 HydrophobicContact CG2-CG 3.89Å
296I91.8Very high84.4Confident0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-93.3116.1172.9-54.5175000108.1F262 V264 L284 F285 A288 T294 I298 V344 M345 V346 L347F262-I296 HydrophobicContact CB-CG1 4.38Å; F262-I296 HydrophobicContact CB-CG2 4.48Å; V264-I296 HydrophobicContact CG2-CG2 4.04Å; L284-I296 HydrophobicContact CD2-CG2 4.5Å; F285-I296 HydrophobicContact CD1-CD1 3.82Å; F285-I296 HydrophobicContact CE1-CD1 3.69Å; F285-I296 HydrophobicContact CG-CD1 4.33Å; F285-I296 HydrophobicContact CZ-CD1 4.09Å; A288-I296 HydrophobicContact CB-CD1 3.67Å; A288-I296 HydrophobicContact CB-CG1 4Å; T294-I296 HydrophobicContact CG2-CG1 4.24Å; I296-I298 HydrophobicContact CG2-CG1 4.08Å; I296-V344 HydrophobicContact CD1-CG1 3.83Å; I296-V344 HydrophobicContact CG1-CG1 4.23Å; I296-M345 PolarHBondContact N-O 3.28Å; I296-V346 CarbonylContact O-C 3.58Å; I296-V346 WeakPolarHBondContact O-CA 3.48Å; I296-L347 PolarHBondContact O-N 3.31Å
297F93.1Very high83.2Confident0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-102.5119.8173178.6-110.9000110.3M238 T247 A250 F261 F262 N263 V264 D299 L347 A349M238-F297 HydrophobicContact CE-CD2 4.11Å; M238-F297 HydrophobicContact CE-CE2 3.53Å; T247-F297 HydrophobicContact CG2-CD1 4.45Å; T247-F297 HydrophobicContact CG2-CE1 3.7Å; T247-F297 HydrophobicContact CG2-CZ 4.32Å; A250-F297 HydrophobicContact CB-CB 4.4Å; A250-F297 HydrophobicContact CB-CD1 4.37Å; A250-F297 HydrophobicContact CB-CD2 3.36Å; A250-F297 HydrophobicContact CB-CE2 3.63Å; A250-F297 HydrophobicContact CB-CG 3.78Å; A250-F297 HydrophobicContact CB-CZ 4.23Å; F261-F297 HydrophobicContact CD2-CB 4.39Å; F261-F297 HydrophobicContact CE1-CB 4.4Å; F261-F297 HydrophobicContact CE2-CB 3.4Å; F261-F297 VanDerWaalsContact CE2-CB 3.4Å; F261-F297 HydrophobicContact CE2-CG 4.1Å; F261-F297 HydrophobicContact CZ-CB 3.41Å; F261-F297 VanDerWaalsContact CZ-CB 3.41Å; F261-F297 AromaticContact CZ-CD1 3.85Å; F261-F297 HydrophobicContact CZ-CD1 3.85Å; F261-F297 AromaticContact CZ-CG 3.78Å; F261-F297 HydrophobicContact CZ-CG 3.78Å; F262-F297 PolarHBondContact O-N 2.93Å; N263-F297 WeakPolarHBondContact OD1-CD1 3.22Å; V264-F297 WeakPolarHBondContact CB-O 3.33Å; V264-F297 PolarHBondContact N-O 2.86Å; F297-D299 HydrophobicContact CD1-CB 4.43Å; F297-D299 HydrophobicContact CE1-CB 3.62Å; F297-D299 HydrophobicContact CZ-CB 4Å; F297-L347 CarbonylContact C-O 3.54Å; F297-L347 VanDerWaalsContact CA-O 3.27Å; F297-L347 WeakPolarHBondContact CA-O 3.38Å; F297-L347 HydrophobicContact CD2-CB 3.97Å; F297-A349 HydrophobicContact CE2-CB 3.7Å; F297-A349 HydrophobicContact CZ-CB 3.67Å
298I91.7Very high81.7Confident0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-108.3106.7176.3-53.5176.7000107.9V264 I296 I301 L324 V346 L347 A348 A349V264-I298 HydrophobicContact CB-CG1 4.4Å; V264-I298 WeakPolarHBondContact O-CA 3.41Å; I296-I298 HydrophobicContact CG2-CG1 4.08Å; I298-I301 HydrophobicContact CB-CD1 4.43Å; I298-I301 HydrophobicContact CD1-CD1 4.44Å; I298-I301 HydrophobicContact CG2-CB 4.1Å; I298-I301 HydrophobicContact CG2-CD1 4.15Å; I298-I301 HydrophobicContact CG2-CG1 4.01Å; I298-L324 HydrophobicContact CD1-CD1 4Å; I298-L324 HydrophobicContact CD1-CD2 4.34Å; I298-V346 HydrophobicContact CD1-CG1 4.03Å; I298-L347 PolarHBondContact N-O 3.01Å; I298-A348 CarbonylContact O-C 3.6Å; I298-A348 WeakPolarHBondContact O-CA 3.44Å; I298-A349 PolarHBondContact O-N 3.32Å
299D90.4Very high80Confident33 Ų3342.9 Ų42.918%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-84.6151175.2-145.4-16.1000111T247 V264 F297 I301T247-D299 PolarHBondContact OG1-OD2 3.43Å; V264-D299 PolarHBondContact O-N 2.76Å; F297-D299 HydrophobicContact CD1-CB 4.43Å; F297-D299 HydrophobicContact CE1-CB 3.62Å; F297-D299 HydrophobicContact CZ-CB 4Å; D299-I301 VanDerWaalsContact C-N 3.27Å; D299-I301 PolarHBondContact O-N 3.25Å
300E88.1Confident78.4Confident87 Ų8742.4 Ų42.441%0.40723%0.23SC..SBendtrans49.545.6179.4-57.2-176.5155.100113.2D302 S303 A349E300-D302 PolarHBondContact O-N 3.5Å; E300-S303 WeakPolarHBondContact O-CB 3.44Å; E300-S303 PolarHBondContact O-N 2.71Å; E300-S303 PolarHBondContact O-OG 2.66Å; E300-A349 PolarHBondContact N-O 3.02Å
301I87.5Confident76.9Confident0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-59.7-23.6-174.7-163.6164.9000113L237 I298 D299 S303 I304 C305 A348 A349 I356 L360 L364L237-I301 HydrophobicContact CD1-CG2 4.29Å; I298-I301 HydrophobicContact CB-CD1 4.43Å; I298-I301 HydrophobicContact CD1-CD1 4.44Å; I298-I301 HydrophobicContact CG2-CB 4.1Å; I298-I301 HydrophobicContact CG2-CD1 4.15Å; I298-I301 HydrophobicContact CG2-CG1 4.01Å; D299-I301 VanDerWaalsContact C-N 3.27Å; D299-I301 PolarHBondContact O-N 3.25Å; I301-S303 PolarHBondContact O-N 3.26Å; I301-I304 PolarHBondContact O-N 3.27Å; I301-C305 VanDerWaalsContact O-CB 3.3Å; I301-C305 WeakPolarHBondContact O-CB 3.3Å; I301-C305 PolarHBondContact O-N 3.22Å; I301-A348 HydrophobicContact CB-CB 4.41Å; I301-A348 HydrophobicContact CD1-CB 3.69Å; I301-A348 HydrophobicContact CG2-CB 4.22Å; I301-A349 PolarHBondContact N-O 3.32Å; I301-A349 VanDerWaalsContact N-O 3.09Å; I301-I356 HydrophobicContact CG2-CD1 4.1Å; I301-L360 HydrophobicContact CD1-CD1 4.45Å; I301-L360 HydrophobicContact CD1-CD2 3.53Å; I301-L360 HydrophobicContact CD1-CG 4.38Å; I301-L360 HydrophobicContact CG1-CD2 3.76Å; I301-L364 HydrophobicContact CD1-CD1 4.45Å
302D85.3Confident75.5Confident23 Ų2349 Ų4912%0.12328%0.281CS..Hα-helixtrans-59-31.5173.448.1-81.7000113.3E300 I304 C305 G306 T350 F352E300-D302 PolarHBondContact O-N 3.5Å; D302-I304 VanDerWaalsContact C-N 3.34Å; D302-I304 PolarHBondContact O-N 3.07Å; D302-C305 CarbonylContact O-C 3.59Å; D302-C305 PolarHBondContact O-N 3.47Å; D302-G306 WeakPolarHBondContact O-CA 3.47Å; D302-G306 PolarHBondContact O-N 2.95Å; D302-T350 WeakPolarHBondContact CB-OG1 3.5Å; D302-T350 WeakPolarHBondContact OD1-CA 3.45Å; D302-T350 WeakPolarHBondContact OD1-CB 3.27Å; D302-T350 PolarHBondContact OD1-OG1 3.48Å; D302-F352 HydrophobicContact CB-CB 4.38Å
303S80.3Confident74.7Confident64 Ų6449.4 Ų49.445%0.44828%0.278SS..Hα-helixtrans-68.7-30.1177.764.30000113.5S266 E300 I301S266-S303 WeakPolarHBondContact CB-OG 3.16Å; S266-S303 PolarHBondContact OG-OG 2.99Å; E300-S303 WeakPolarHBondContact O-CB 3.44Å; E300-S303 PolarHBondContact O-N 2.71Å; E300-S303 PolarHBondContact O-OG 2.66Å; I301-S303 PolarHBondContact O-N 3.26Å
304I76.4Confident74.2Confident3 Ų354.4 Ų54.42%0.01530%0.297CS..Hα-helixtrans-86.3-33.9173-62.5163000110.6L269 I301 D302 S317 V320L269-I304 HydrophobicContact CB-CD1 4.24Å; L269-I304 HydrophobicContact CD1-CD1 3.56Å; L269-I304 HydrophobicContact CG-CD1 4.45Å; I301-I304 PolarHBondContact O-N 3.27Å; D302-I304 VanDerWaalsContact C-N 3.34Å; D302-I304 PolarHBondContact O-N 3.07Å; I304-S317 PolarHBondContact O-OG 3.02Å; I304-V320 HydrophobicContact CG2-CG1 3.99Å
305C68.1Low73.8Confident0 Ų058.7 Ų58.70%032%0.317CS..Hα-helixtrans-112.823.6-165.3-65.50000114.9I301 D302 K321 L360I301-C305 VanDerWaalsContact O-CB 3.3Å; I301-C305 WeakPolarHBondContact O-CB 3.3Å; I301-C305 PolarHBondContact O-N 3.22Å; D302-C305 CarbonylContact O-C 3.59Å; D302-C305 PolarHBondContact O-N 3.47Å; C305-K321 PolarHBondContact O-NZ 3.42Å; C305-L360 HydrophobicContact CB-CD2 3.58Å; C305-L360 WeakPolarHBondContact SG-CD2 3.43Å
306G65.3Low73.3Confident25 Ų2560.7 Ų60.726%0.25833%0.334SS..PPolyproline II helixtrans-49157.8176.700000113.8D302 R308 K321 D355D302-G306 WeakPolarHBondContact O-CA 3.47Å; D302-G306 PolarHBondContact O-N 2.95Å; G306-R308 PolarHBondContact O-N 3.21Å; G306-K321 PolarHBondContact O-NZ 3.39Å; G306-D355 CarbonylContact C-O 3.57Å; G306-D355 WeakPolarHBondContact CA-O 3.41Å
307R59.6Low72.7Confident159 Ų15962 Ų6260%0.634%0.343SS*.PPolyproline II helixtrans-54.8126.6-178.4-90.9176.6160.9150.8-4.8111G309 W354 D355R307-G309 PolarHBondContact O-N 3.13Å; R307-W354 PolarHBondContact NE-O 3.27Å; R307-W354 PolarHBondContact NH1-O 3.23Å; R307-D355 PolarHBondContact N-O 3.39Å; R307-D355 VanDerWaalsContact N-O 3.13Å
308R55.2Low72.1Confident153 Ų15367.4 Ų67.458%0.57736%0.363SS*.THydrogen-bonded Turntrans-57.8124.1172.8-63.7-179.7-170.7-152.7-4.1108.6G306 D357G306-R308 PolarHBondContact O-N 3.21Å; R308-D357 IonicContact CZ-OD2 3.35Å; R308-D357 IonicContact NE-OD2 2.74Å; R308-D357 PolarHBondContact NE-OD2 2.87Å; R308-D357 IonicContact NH2-OD2 3.73Å; R308-D357 PolarHBondContact NH2-OD2 3.29Å
309G50.8Low71.8Confident63 Ų6371.4 Ų71.465%0.64938%0.379SS*.THydrogen-bonded Turntrans130.9-0162.600000118R307 S311R307-G309 PolarHBondContact O-N 3.13Å; G309-S311 PolarHBondContact O-N 2.78Å
310T51.6Low71.6Confident92 Ų9270 Ų7056%0.56437%0.371SS*.  trans-71.2130.815952.70000107.8D312 E313T310-D312 PolarHBondContact O-N 3.25Å; T310-E313 PolarHBondContact O-N 3.01Å; T310-E313 VanDerWaalsContact O-N 3.08Å
311S52.8Low71.4Confident120 Ų12066 Ų6684%0.83935%0.353SS*.THydrogen-bonded Turntrans-58.2-10.2179.939.40000114G309G309-S311 PolarHBondContact O-N 2.78Å
312D56.6Low71.4Confident134 Ų13468.8 Ų68.872%0.71737%0.372SS*.THydrogen-bonded Turntrans-97.42.5179.3-63.1-41.4000114.2T310 H314T310-D312 PolarHBondContact O-N 3.25Å; D312-H314 PolarHBondContact O-N 3.06Å
313E65.7Low71.6Confident32 Ų3268 Ų6815%0.1537%0.367CS..  trans-67.6110.6178.3-166.1-172.4178.400110.6T310 E315 R318T310-E313 PolarHBondContact O-N 3.01Å; T310-E313 VanDerWaalsContact O-N 3.08Å; E313-E315 PolarHBondContact O-N 3.23Å; E313-R318 VanDerWaalsContact CD-NE 3.33Å; E313-R318 HydrophobicContact CG-CG 4.13Å; E313-R318 WeakPolarHBondContact OE1-CG 3.43Å; E313-R318 IonicContact OE1-NE 2.86Å; E313-R318 IonicContact OE2-CZ 3.29Å; E313-R318 VanDerWaalsContact OE2-CZ 3.28Å; E313-R318 IonicContact OE2-NE 3.32Å; E313-R318 PolarHBondContact OE2-NE 2.76Å; E313-R318 IonicContact OE2-NH2 3.82Å; E313-R318 PolarHBondContact OE2-NH2 3.01Å
314H73.1Confident72Confident151 Ų15165 Ų6570%0.69935%0.346SS*.  trans-57.6128.4178.5-68.8-53.7000111.2D312 A316 S317 R318D312-H314 PolarHBondContact O-N 3.06Å; H314-A316 PolarHBondContact O-N 2.93Å; H314-S317 WeakPolarHBondContact O-CB 2.8Å; H314-S317 PolarHBondContact O-N 2.93Å; H314-R318 PolarHBondContact O-N 2.68Å
315E78.1Confident72.5Confident91 Ų9165.9 Ų65.943%0.42535%0.351SS..Hα-helixtrans-50-31.1176-164.6-162.8-162.200112.7R274 E313 R319R274-E315 IonicContact CZ-OE2 2.68Å; R274-E315 IonicContact NE-OE2 3.08Å; R274-E315 IonicContact NH2-OE2 3.65Å; R274-E315 PolarHBondContact NH2-OE2 3.28Å; E313-E315 PolarHBondContact O-N 3.23Å; E315-R319 WeakPolarHBondContact O-CG 3.47Å; E315-R319 PolarHBondContact O-N 3.06Å; E315-R319 IonicContact OE1-CZ 3.58Å; E315-R319 IonicContact OE1-NH1 3.21Å; E315-R319 IonicContact OE1-NH2 3.51Å; E315-R319 PolarHBondContact OE1-NH2 3.4Å; E315-R319 IonicContact OE2-CZ 3.95Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3.4Å; E315-R319 IonicContact OE2-NH2 2.86Å; E315-R319 PolarHBondContact OE2-NH2 2.87Å
316A77.4Confident73.4Confident44 Ų4470.7 Ų70.736%0.36438%0.376SS..Hα-helixtrans-62.1-45174.500000112.9H314 R318 R319 V320H314-A316 PolarHBondContact O-N 2.93Å; A316-R318 VanDerWaalsContact C-N 3.34Å; A316-R318 PolarHBondContact O-N 2.97Å; A316-R319 PolarHBondContact O-N 3.33Å; A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 3.32Å
317S79.4Confident74.5Confident27 Ų2770.7 Ų70.719%0.18937%0.369CS..Hα-helixtrans-63.4-41.4179.1-171.60000111.3I304 H314 R319 V320 K321I304-S317 PolarHBondContact O-OG 3.02Å; H314-S317 WeakPolarHBondContact O-CB 2.8Å; H314-S317 PolarHBondContact O-N 2.93Å; S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 3.08Å; S317-V320 PolarHBondContact O-N 3.08Å; S317-K321 WeakPolarHBondContact O-CB 3.35Å; S317-K321 PolarHBondContact O-N 3.09Å
318R81.3Confident75.6Confident114 Ų11463.7 Ų63.743%0.4334%0.343SS..Hα-helixtrans-59.2-41.2176.1-70.3-176.1175.3170.68.1113.1E313 H314 A316 S322E313-R318 VanDerWaalsContact CD-NE 3.33Å; E313-R318 HydrophobicContact CG-CG 4.13Å; E313-R318 WeakPolarHBondContact OE1-CG 3.43Å; E313-R318 IonicContact OE1-NE 2.86Å; E313-R318 IonicContact OE2-CZ 3.29Å; E313-R318 VanDerWaalsContact OE2-CZ 3.28Å; E313-R318 IonicContact OE2-NE 3.32Å; E313-R318 PolarHBondContact OE2-NE 2.76Å; E313-R318 IonicContact OE2-NH2 3.82Å; E313-R318 PolarHBondContact OE2-NH2 3.01Å; H314-R318 PolarHBondContact O-N 2.68Å; A316-R318 VanDerWaalsContact C-N 3.34Å; A316-R318 PolarHBondContact O-N 2.97Å; R318-S322 WeakPolarHBondContact O-CB 2.99Å; R318-S322 PolarHBondContact O-N 3.4Å; R318-S322 PolarHBondContact O-OG 2.83Å
319R84.7Confident76.7Confident85 Ų8559.7 Ų59.732%0.32133%0.333SS..Hα-helixtrans-69.5-43.6177.9-67-172-175.3103.2-7.7111.6E278 E315 A316 S317 K321 S322 E323E278-R319 HydrophobicContact CG-CB 3.92Å; E278-R319 WeakPolarHBondContact OE1-CB 3.48Å; E278-R319 WeakPolarHBondContact OE1-CD 3.25Å; E315-R319 WeakPolarHBondContact O-CG 3.47Å; E315-R319 PolarHBondContact O-N 3.06Å; E315-R319 IonicContact OE1-CZ 3.58Å; E315-R319 IonicContact OE1-NH1 3.21Å; E315-R319 IonicContact OE1-NH2 3.51Å; E315-R319 PolarHBondContact OE1-NH2 3.4Å; E315-R319 IonicContact OE2-CZ 3.95Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3.4Å; E315-R319 IonicContact OE2-NH2 2.86Å; E315-R319 PolarHBondContact OE2-NH2 2.87Å; A316-R319 PolarHBondContact O-N 3.33Å; S317-R319 VanDerWaalsContact C-N 3.32Å; S317-R319 PolarHBondContact O-N 3.08Å; R319-K321 VanDerWaalsContact C-N 3.34Å; R319-K321 PolarHBondContact O-N 3.05Å; R319-S322 PolarHBondContact O-N 3.45Å; R319-E323 PolarHBondContact O-N 3.28Å
320V85.8Confident77.6Confident3 Ų358 Ų582%0.01832%0.316CS..Hα-helixtrans-56.7-47.6174171.70000111.1V281 I304 A316 S317 S322 E323 L324V281-V320 HydrophobicContact CG2-CG1 3.98Å; I304-V320 HydrophobicContact CG2-CG1 3.99Å; A316-V320 WeakPolarHBondContact O-CG2 3.4Å; A316-V320 PolarHBondContact O-N 3.32Å; S317-V320 PolarHBondContact O-N 3.08Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 3.49Å; V320-E323 PolarHBondContact O-N 3.17Å; V320-L324 WeakPolarHBondContact O-CB 3.32Å; V320-L324 PolarHBondContact O-N 3.17Å
321K85.4Confident78Confident4 Ų455.2 Ų55.22%0.01730%0.298CS..Hα-helixtrans-60.1-43.2176.2-179.2177.4-178.3175.10112.4C305 G306 S317 R319 L324 L325 D357C305-K321 PolarHBondContact O-NZ 3.42Å; G306-K321 PolarHBondContact O-NZ 3.39Å; S317-K321 WeakPolarHBondContact O-CB 3.35Å; S317-K321 PolarHBondContact O-N 3.09Å; R319-K321 VanDerWaalsContact C-N 3.34Å; R319-K321 PolarHBondContact O-N 3.05Å; K321-L324 PolarHBondContact O-N 3.39Å; K321-L325 HydrophobicContact CG-CD1 4.43Å; K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.27Å; K321-L325 PolarHBondContact O-N 3.11Å; K321-D357 WeakPolarHBondContact CE-OD2 3.32Å; K321-D357 IonicContact NZ-OD2 3.15Å; K321-D357 PolarHBondContact NZ-OD2 3.48Å
322S87.1Confident77.9Confident58 Ų5851.5 Ų51.541%0.40628%0.279SS..Hα-helixtrans-63.9-43177.6-58.10000111.3R318 R319 V320 L325 I326R318-S322 WeakPolarHBondContact O-CB 2.99Å; R318-S322 PolarHBondContact O-N 3.4Å; R318-S322 PolarHBondContact O-OG 2.83Å; R319-S322 PolarHBondContact O-N 3.45Å; V320-S322 VanDerWaalsContact C-N 3.35Å; V320-S322 PolarHBondContact O-N 3.49Å; S322-L325 PolarHBondContact O-N 3.27Å; S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.37Å; S322-I326 PolarHBondContact O-N 3.47Å; S322-I326 VanDerWaalsContact O-N 3.09Å
323E88.5Confident77.1Confident6 Ų647.5 Ų47.53%0.02827%0.27CS..Hα-helixtrans-66.3-42.4177.1-172.158.1-144.200112E278 V281 R282 R319 V320 L325 I326 Q327E278-E323 HydrophobicContact CG-CB 4.49Å; V281-E323 HydrophobicContact CB-CG 4.1Å; V281-E323 HydrophobicContact CG1-CB 4.45Å; V281-E323 HydrophobicContact CG1-CG 3.99Å; R282-E323 HydrophobicContact CG-CG 3.98Å; R282-E323 WeakPolarHBondContact CG-OE1 3.38Å; R282-E323 IonicContact CZ-OE1 3.49Å; R282-E323 IonicContact CZ-OE2 3.06Å; R282-E323 IonicContact NE-OE1 3.75Å; R282-E323 PolarHBondContact NE-OE1 3.45Å; R282-E323 IonicContact NE-OE2 2.71Å; R282-E323 PolarHBondContact NE-OE2 3.24Å; R282-E323 VanDerWaalsContact NE-OE2 3.15Å; R282-E323 IonicContact NH2-OE1 3.41Å; R282-E323 IonicContact NH2-OE2 2.92Å; R282-E323 PolarHBondContact NH2-OE2 3.4Å; R319-E323 PolarHBondContact O-N 3.28Å; V320-E323 PolarHBondContact O-N 3.17Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.38Å; E323-I326 PolarHBondContact O-N 3.17Å; E323-Q327 WeakPolarHBondContact O-CG 3.35Å; E323-Q327 PolarHBondContact O-N 2.99Å; E323-Q327 PolarHBondContact OE1-NE2 2.87Å
324L88.6Confident75.9Confident1 Ų150.5 Ų50.51%0.00530%0.3CS..Hα-helixtrans-57.6-44.6175.3179.361.9000111.1V281 F285 I298 V320 K321 I326 Q327 M328V281-L324 HydrophobicContact CG1-CB 4.32Å; V281-L324 HydrophobicContact CG1-CD1 4.43Å; F285-L324 HydrophobicContact CE2-CD1 3.64Å; F285-L324 HydrophobicContact CZ-CD1 3.88Å; I298-L324 HydrophobicContact CD1-CD1 4Å; I298-L324 HydrophobicContact CD1-CD2 4.34Å; V320-L324 WeakPolarHBondContact O-CB 3.32Å; V320-L324 PolarHBondContact O-N 3.17Å; K321-L324 PolarHBondContact O-N 3.39Å; L324-I326 PolarHBondContact O-N 3.11Å; L324-Q327 PolarHBondContact O-N 3.34Å; L324-M328 HydrophobicContact CD1-CG 4.27Å; L324-M328 HydrophobicContact CD1-SD 4.37Å; L324-M328 HydrophobicContact CG-CG 4.45Å; L324-M328 HydrophobicContact CG-SD 4.11Å; L324-M328 WeakPolarHBondContact O-CB 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.43Å
325L87.3Confident74.4Confident21 Ų2150.6 Ų50.611%0.1131%0.305CS..Hα-helixtrans-62.4-42.5176.6-70.7168.8000112.2K321 S322 E323 M328 D329 A359 L360 R363K321-L325 HydrophobicContact CG-CD1 4.43Å; K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.27Å; K321-L325 PolarHBondContact O-N 3.11Å; S322-L325 PolarHBondContact O-N 3.27Å; E323-L325 VanDerWaalsContact C-N 3.31Å; E323-L325 PolarHBondContact O-N 3.38Å; L325-M328 PolarHBondContact O-N 3.5Å; L325-D329 PolarHBondContact O-N 3.25Å; L325-A359 HydrophobicContact CD1-CB 3.87Å; L325-A359 HydrophobicContact CD2-CB 4.38Å; L325-L360 HydrophobicContact CD2-CB 4.35Å; L325-L360 HydrophobicContact CD2-CD1 3.72Å; L325-R363 HydrophobicContact CD2-CG 3.93Å
326I88.1Confident72.6Confident102 Ų10254.8 Ų54.852%0.52332%0.324SS..Hα-helixtrans-61.9-45.2176.3-68.5163.8000110.4S322 E323 L324 D329 G330S322-I326 VanDerWaalsContact O-CG1 3.3Å; S322-I326 WeakPolarHBondContact O-CG1 3.37Å; S322-I326 PolarHBondContact O-N 3.47Å; S322-I326 VanDerWaalsContact O-N 3.09Å; E323-I326 PolarHBondContact O-N 3.17Å; L324-I326 PolarHBondContact O-N 3.11Å; I326-D329 PolarHBondContact O-N 3.35Å; I326-G330 PolarHBondContact O-N 3.03Å
327Q87.4Confident70.9Confident25 Ų2559.2 Ų59.212%0.11734%0.342CS..Hα-helixtrans-67.1-39.4178.8-66.9-52.8-34.300112.3V281 F285 E323 L324 D329 G330 V331V281-Q327 HydrophobicContact CG1-CG 4.19Å; F285-Q327 HydrophobicContact CB-CB 4.2Å; F285-Q327 HydrophobicContact CB-CG 4.27Å; F285-Q327 HydrophobicContact CD1-CB 3.98Å; F285-Q327 HydrophobicContact CD2-CB 3.5Å; F285-Q327 HydrophobicContact CD2-CG 3.91Å; F285-Q327 HydrophobicContact CE1-CB 4.2Å; F285-Q327 HydrophobicContact CE2-CB 3.75Å; F285-Q327 HydrophobicContact CG-CB 3.62Å; F285-Q327 HydrophobicContact CG-CG 4.13Å; F285-Q327 HydrophobicContact CZ-CB 4.09Å; E323-Q327 WeakPolarHBondContact O-CG 3.35Å; E323-Q327 PolarHBondContact O-N 2.99Å; E323-Q327 PolarHBondContact OE1-NE2 2.87Å; L324-Q327 PolarHBondContact O-N 3.34Å; Q327-D329 VanDerWaalsContact C-N 3.29Å; Q327-D329 PolarHBondContact O-N 2.91Å; Q327-G330 CarbonylContact O-C 3.49Å; Q327-G330 WeakPolarHBondContact O-CA 3.45Å; Q327-G330 PolarHBondContact O-N 3.29Å; Q327-G330 VanDerWaalsContact O-N 3.08Å; Q327-V331 WeakPolarHBondContact O-CG2 3.37Å; Q327-V331 PolarHBondContact O-N 3.38Å
328M83.1Confident69.7Low11 Ų1165.2 Ų65.25%0.05437%0.372CS..Hα-helixtrans-61.5-33174.8-75.3-178.681.800113F285 L324 L325 V331 V346 L360 R363 L364F285-M328 HydrophobicContact CZ-CG 4.22Å; L324-M328 HydrophobicContact CD1-CG 4.27Å; L324-M328 HydrophobicContact CD1-SD 4.37Å; L324-M328 HydrophobicContact CG-CG 4.45Å; L324-M328 HydrophobicContact CG-SD 4.11Å; L324-M328 WeakPolarHBondContact O-CB 3.28Å; L324-M328 WeakPolarHBondContact O-CG 3.38Å; L324-M328 PolarHBondContact O-N 3.43Å; L325-M328 PolarHBondContact O-N 3.5Å; M328-V331 WeakPolarHBondContact O-CG2 3.33Å; M328-V346 HydrophobicContact CE-CB 4.49Å; M328-V346 HydrophobicContact CE-CG1 4.21Å; M328-L360 HydrophobicContact SD-CD1 3.81Å; M328-R363 HydrophobicContact CE-CB 3.77Å; M328-R363 HydrophobicContact SD-CB 4.39Å; M328-L364 HydrophobicContact CE-CD2 3.97Å; M328-L364 HydrophobicContact CE-CG 4.3Å
329D77.9Confident68.6Low70 Ų7063.5 Ų63.537%0.37437%0.371SS..Hα-helixtrans-73.2-41.9170.1-79-39.3000111.9L325 I326 Q327 V331 G332 R363L325-D329 PolarHBondContact O-N 3.25Å; I326-D329 PolarHBondContact O-N 3.35Å; Q327-D329 VanDerWaalsContact C-N 3.29Å; Q327-D329 PolarHBondContact O-N 2.91Å; D329-V331 PolarHBondContact O-N 3.37Å; D329-G332 PolarHBondContact O-N 3.13Å; D329-R363 VanDerWaalsContact CG-CZ 3.43Å; D329-R363 WeakPolarHBondContact OD1-CD 3.26Å; D329-R363 IonicContact OD1-CZ 2.64Å; D329-R363 IonicContact OD1-NE 2.85Å; D329-R363 PolarHBondContact OD1-NE 2.77Å; D329-R363 IonicContact OD1-NH1 3.81Å; D329-R363 IonicContact OD1-NH2 3.54Å; D329-R363 PolarHBondContact OD1-NH2 3.29Å; D329-R363 IonicContact OD2-CZ 3.43Å; D329-R363 IonicContact OD2-NE 3.32Å; D329-R363 PolarHBondContact OD2-NE 3.08Å; D329-R363 VanDerWaalsContact OD2-NE 3.08Å; D329-R363 IonicContact OD2-NH2 3.21Å; D329-R363 PolarHBondContact OD2-NH2 2.95Å
330G68.8Low67.3Low27 Ų2763 Ų6328%0.27838%0.379SS..Hα-helixtrans-64.2-21178.600000114.3I326 Q327 G332 G333I326-G330 PolarHBondContact O-N 3.03Å; Q327-G330 CarbonylContact O-C 3.49Å; Q327-G330 WeakPolarHBondContact O-CA 3.45Å; Q327-G330 PolarHBondContact O-N 3.29Å; Q327-G330 VanDerWaalsContact O-N 3.08Å; G330-G332 PolarHBondContact O-N 3.06Å; G330-G333 PolarHBondContact O-N 3.34Å
331V60.9Low65.9Low33 Ų3365.7 Ų65.720%0.240%0.398CS..THydrogen-bonded Turntrans-60.9-16.3174.7-148.30000112.4F285 Q327 M328 D329 V344F285-V331 HydrophobicContact CD1-CG2 4.07Å; F285-V331 HydrophobicContact CE1-CG2 3.76Å; Q327-V331 WeakPolarHBondContact O-CG2 3.37Å; Q327-V331 PolarHBondContact O-N 3.38Å; M328-V331 WeakPolarHBondContact O-CG2 3.33Å; D329-V331 PolarHBondContact O-N 3.37Å; V331-V344 HydrophobicContact CG1-CB 3.5Å; V331-V344 VanDerWaalsContact CG1-CB 3.5Å; V331-V344 HydrophobicContact CG1-CG1 3.74Å; V331-V344 VanDerWaalsContact CG1-O 3.28Å; V331-V344 WeakPolarHBondContact CG1-O 3.2Å
332G50.8Low65.1Low43 Ų4372.8 Ų72.844%0.44343%0.429SS..THydrogen-bonded Turntrans-125.722.8169.200000114.8D329 G330 A334D329-G332 PolarHBondContact O-N 3.13Å; G330-G332 PolarHBondContact O-N 3.06Å; G332-A334 PolarHBondContact O-N 3.03Å
333G40.3Very low64.5Low50 Ų5072.9 Ų72.952%0.51542%0.424SS..SBendtrans-82.495.3173.200000111G330 L335G330-G333 PolarHBondContact O-N 3.34Å; G333-L335 PolarHBondContact O-N 3.4Å
334A40.4Very low64.3Low94 Ų9473.2 Ų73.278%0.77743%0.426SS*.  trans27.183.7145.500000117.2G332G332-A334 PolarHBondContact O-N 3.03Å
335L41.1Very low64.1Low153 Ų15373.9 Ų73.980%0.80143%0.429SS*.  trans-121.881.4144-86.2166.7000107.5G333 N337G333-L335 PolarHBondContact O-N 3.4Å; L335-N337 PolarHBondContact O-N 3.25Å
336E40.7Very low64.3Low179 Ų17973 Ų7384%0.83643%0.425SS*.SBendtrans46.10.5138.7-66.6-169.9145.200121.9
337N41.4Very low64.5Low138 Ų13868.1 Ų68.174%0.73840%0.4SS*.  trans-147113.9172.8-66.4-68.2000107.9L335 D339L335-N337 PolarHBondContact O-N 3.25Å; N337-D339 PolarHBondContact O-N 2.78Å
338D54.8Low64.7Low153 Ų15367 Ų6782%0.81839%0.394SS*.  trans-63.255.3175.6-145.816.4000110.2P340D338-P340 VanDerWaalsContact O-CD 3.24Å; D338-P340 WeakPolarHBondContact O-CD 3.48Å
339D57.1Low65.2Low77 Ų7766.4 Ų66.441%0.41239%0.392SS..  trans-91105.7-177.9-168.6-12.8000108.4N337 S341 K342N337-D339 PolarHBondContact O-N 2.78Å; D339-S341 PolarHBondContact O-N 3.04Å; D339-S341 VanDerWaalsContact OD1-CB 3.25Å; D339-S341 WeakPolarHBondContact OD1-CB 2.98Å; D339-S341 PolarHBondContact OD1-N 3.08Å; D339-S341 VanDerWaalsContact OD1-N 3.07Å; D339-S341 PolarHBondContact OD1-OG 2.68Å; D339-S341 PolarHBondContact OD2-OG 2.88Å; D339-K342 PolarHBondContact O-N 3.21Å
340P57.2Low65.9Low76 Ų7663.1 Ų63.149%0.49437%0.374SS..G310 helixtrans-61.9-14.1-179.926.9-34.7000112.5P223 D338 K342P223-P340 HydrophobicContact CB-CB 3.94Å; P223-P340 HydrophobicContact CB-CG 4.32Å; D338-P340 VanDerWaalsContact O-CD 3.24Å; D338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-K342 VanDerWaalsContact C-N 3.3Å; P340-K342 PolarHBondContact O-N 3.49Å
341S58.1Low66.9Low59 Ų5962.9 Ų62.941%0.41337%0.366SS..G310 helixtrans-72.2-18.117971.90000114.3D339D339-S341 PolarHBondContact O-N 3.04Å; D339-S341 VanDerWaalsContact OD1-CB 3.25Å; D339-S341 WeakPolarHBondContact OD1-CB 2.98Å; D339-S341 PolarHBondContact OD1-N 3.08Å; D339-S341 VanDerWaalsContact OD1-N 3.07Å; D339-S341 PolarHBondContact OD1-OG 2.68Å; D339-S341 PolarHBondContact OD2-OG 2.88Å
342K67.6Low68.3Low152 Ų15265.6 Ų65.666%0.66138%0.376SS*.G310 helixtrans-101.231.1-179.3-63.6-175.3-175.6175.80113.3A292 D339 P340A292-K342 HydrophobicContact CB-CB 4.39Å; D339-K342 PolarHBondContact O-N 3.21Å; P340-K342 VanDerWaalsContact C-N 3.3Å; P340-K342 PolarHBondContact O-N 3.49Å
343M74.1Confident70.1Confident60 Ų6063.6 Ų63.630%0.29636%0.355SS..  trans-74.6128.3179.6-169176.3-68.800111P219 P232 P293 T294P219-M343 HydrophobicContact CB-CE 4.43Å; P232-M343 HydrophobicContact CG-CE 4.04Å; P293-M343 WeakPolarHBondContact CA-O 3.44Å; T294-M343 PolarHBondContact N-O 2.86Å; T294-M343 VanDerWaalsContact N-O 3.15Å
344V84.8Confident72.4Confident14 Ų1464.1 Ų64.19%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-118.2126.4169.7176.90000107.7A288 R289 A292 T294 I296 V331A288-V344 HydrophobicContact CB-CG1 4.12Å; R289-V344 HydrophobicContact CG-CG2 4.09Å; A292-V344 HydrophobicContact CB-CG2 4.41Å; T294-V344 WeakPolarHBondContact O-CA 3.47Å; I296-V344 HydrophobicContact CD1-CG1 3.83Å; I296-V344 HydrophobicContact CG1-CG1 4.23Å; V331-V344 HydrophobicContact CG1-CB 3.5Å; V331-V344 VanDerWaalsContact CG1-CB 3.5Å; V331-V344 HydrophobicContact CG1-CG1 3.74Å; V331-V344 VanDerWaalsContact CG1-O 3.28Å; V331-V344 WeakPolarHBondContact CG1-O 3.2Å
345M85.1Confident74.6Confident15 Ų1562.1 Ų62.17%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-116.9143.1-179.3-178.4-176.76000110.4V216 V253 T294 T295 I296 L347V216-M345 HydrophobicContact CB-CE 4.11Å; V216-M345 HydrophobicContact CB-SD 3.89Å; V216-M345 HydrophobicContact CG1-CE 3.26Å; V216-M345 HydrophobicContact CG1-SD 3.51Å; V216-M345 VanDerWaalsContact CG1-SD 3.51Å; V216-M345 HydrophobicContact CG2-CE 3.75Å; V216-M345 HydrophobicContact CG2-SD 3.36Å; V216-M345 WeakPolarHBondContact CG2-SD 3.21Å; V253-M345 HydrophobicContact CG1-CE 4.44Å; T294-M345 PolarHBondContact O-N 3.17Å; T295-M345 HydrophobicContact CG2-CE 3.68Å; T295-M345 WeakPolarHBondContact OG1-CE 3.24Å; I296-M345 PolarHBondContact N-O 3.28Å; M345-L347 HydrophobicContact CE-CD1 4.01Å; M345-L347 HydrophobicContact CE-CD2 3.83Å; M345-L347 HydrophobicContact CE-CG 3.82Å; M345-L347 HydrophobicContact CG-CD2 4.46Å; M345-L347 HydrophobicContact SD-CD2 3.99Å
346V90.4Very high76.7Confident2 Ų255.1 Ų55.11%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-109.9117.8174.9-174.50000110K234 G235 V236 F285 I296 I298 M328K234-V346 PolarHBondContact O-N 3.13Å; G235-V346 WeakPolarHBondContact CA-O 3.25Å; V236-V346 PolarHBondContact N-O 3.28Å; F285-V346 HydrophobicContact CE1-CG2 4.01Å; F285-V346 HydrophobicContact CZ-CG2 4.25Å; I296-V346 CarbonylContact O-C 3.58Å; I296-V346 WeakPolarHBondContact O-CA 3.48Å; I298-V346 HydrophobicContact CD1-CG1 4.03Å; M328-V346 HydrophobicContact CE-CB 4.49Å; M328-V346 HydrophobicContact CE-CG1 4.21Å
347L91.9Very high78.7Confident0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-102.4128.7167.4-60.4-177.7000108.1V216 V236 A250 V253 T295 I296 F297 I298 M345V216-L347 HydrophobicContact CG2-CD2 4.35Å; V236-L347 HydrophobicContact CB-CD2 3.7Å; V236-L347 HydrophobicContact CG1-CD2 4.43Å; V236-L347 HydrophobicContact CG2-CD2 4.07Å; V236-L347 CarbonylContact O-C 3.43Å; V236-L347 WeakPolarHBondContact O-CA 3.48Å; A250-L347 HydrophobicContact CB-CD1 4.2Å; V253-L347 HydrophobicContact CG1-CD1 4.37Å; T295-L347 HydrophobicContact CG2-CD1 3.57Å; T295-L347 HydrophobicContact CG2-CG 3.89Å; I296-L347 PolarHBondContact O-N 3.31Å; F297-L347 CarbonylContact C-O 3.54Å; F297-L347 VanDerWaalsContact CA-O 3.27Å; F297-L347 WeakPolarHBondContact CA-O 3.38Å; F297-L347 HydrophobicContact CD2-CB 3.97Å; I298-L347 PolarHBondContact N-O 3.01Å; M345-L347 HydrophobicContact CE-CD1 4.01Å; M345-L347 HydrophobicContact CE-CD2 3.83Å; M345-L347 HydrophobicContact CE-CG 3.82Å; M345-L347 HydrophobicContact CG-CD2 4.46Å; M345-L347 HydrophobicContact SD-CD2 3.99Å
348A92.8Very high80.8Confident0 Ų046.1 Ų46.10%024%0.235CC..EExtended strand (participates in β ladder)trans-118.9143.217500000109.8V236 L237 M238 I298 I301 L364V236-A348 PolarHBondContact O-N 3.08Å; L237-A348 CarbonylContact C-O 3.59Å; L237-A348 WeakPolarHBondContact CA-O 3.36Å; L237-A348 HydrophobicContact CD1-CB 3.86Å; M238-A348 PolarHBondContact N-O 3.42Å; I298-A348 CarbonylContact O-C 3.6Å; I298-A348 WeakPolarHBondContact O-CA 3.44Å; I301-A348 HydrophobicContact CB-CB 4.41Å; I301-A348 HydrophobicContact CD1-CB 3.69Å; I301-A348 HydrophobicContact CG2-CB 4.22Å; A348-L364 HydrophobicContact CB-CD1 4.2Å; A348-L364 HydrophobicContact CB-CD2 3.9Å
349A93.2Very high82.2Confident0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-118.9143.1169.100000110.5M238 K246 F297 I298 E300 I301M238-A349 HydrophobicContact CE-CB 4.48Å; M238-A349 WeakPolarHBondContact O-CA 3.35Å; K246-A349 HydrophobicContact CB-CB 4.15Å; K246-A349 HydrophobicContact CD-CB 4.35Å; F297-A349 HydrophobicContact CE2-CB 3.7Å; F297-A349 HydrophobicContact CZ-CB 3.67Å; I298-A349 PolarHBondContact O-N 3.32Å; E300-A349 PolarHBondContact N-O 3.02Å; I301-A349 PolarHBondContact N-O 3.32Å; I301-A349 VanDerWaalsContact N-O 3.09Å
350T91.6Very high83.5Confident0 Ų036.7 Ų36.70%019%0.189CC..EExtended strand (participates in β ladder)trans-142.3147.7173.7-173.40000110.5L237 M238 V239 K246 D302 F352 P353 I356L237-T350 HydrophobicContact CD1-CG2 3.83Å; L237-T350 HydrophobicContact CG-CG2 4.42Å; M238-T350 PolarHBondContact O-N 3.28Å; V239-T350 HydrophobicContact CB-CG2 4.28Å; V239-T350 HydrophobicContact CG1-CG2 3.75Å; K246-T350 WeakPolarHBondContact CE-O 3.43Å; D302-T350 WeakPolarHBondContact CB-OG1 3.5Å; D302-T350 WeakPolarHBondContact OD1-CA 3.45Å; D302-T350 WeakPolarHBondContact OD1-CB 3.27Å; D302-T350 PolarHBondContact OD1-OG1 3.48Å; T350-F352 PolarHBondContact OG1-N 2.91Å; T350-P353 HydrophobicContact CG2-CB 4Å; T350-I356 HydrophobicContact CG2-CD1 3.71Å
351N91.3Very high84.9Confident22 Ų2235.5 Ų35.512%0.11818%0.175CC..SBendtrans-93.5-20.8165.7-58.6-45.6000111.1P242 K246 P353 Y472P242-N351 WeakPolarHBondContact CA-OD1 3.29Å; K246-N351 WeakPolarHBondContact CE-OD1 3.42Å; K246-N351 PolarHBondContact NZ-OD1 2.72Å; N351-P353 VanDerWaalsContact O-CD 3.32Å; N351-P353 WeakPolarHBondContact O-CD 3.27Å; N351-Y472 VanDerWaalsContact O-CE1 3.27Å; N351-Y472 WeakPolarHBondContact O-CE1 3.42Å; N351-Y472 PolarHBondContact O-OH 3.42Å
352F89.3Confident86.2Confident91 Ų9140.3 Ų40.340%0.39918%0.184SC..  trans-125.173.7-172-57.6-62.7000110.9D302 T350 W354 D355D302-F352 HydrophobicContact CB-CB 4.38Å; T350-F352 PolarHBondContact OG1-N 2.91Å; F352-W354 HydrophobicContact CB-CZ2 4.46Å; F352-W354 AromaticContact CD1-CE2 3.9Å; F352-W354 HydrophobicContact CD1-CH2 4.12Å; F352-W354 AromaticContact CD1-CZ2 3.41Å; F352-W354 HydrophobicContact CD1-CZ2 3.41Å; F352-W354 VanDerWaalsContact CD1-CZ2 3.41Å; F352-W354 HydrophobicContact CE1-CZ2 4.12Å; F352-W354 HydrophobicContact CG-CZ2 4.4Å; F352-W354 PolarHBondContact O-N 3.17Å; F352-W354 VanDerWaalsContact O-N 3.16Å; F352-D355 HydrophobicContact CB-CB 4.4Å; F352-D355 PolarHBondContact O-N 3.47Å
353P88.9Confident87.1Confident0 Ų037.6 Ų37.60%017%0.169CC..G310 helixtrans-67-20.7-172.829.5-37.6000113.6V239 T350 N351 D355 I356 Y472 W475V239-P353 HydrophobicContact CB-CB 4.19Å; V239-P353 HydrophobicContact CB-CG 4.36Å; V239-P353 HydrophobicContact CG1-CB 3.81Å; T350-P353 HydrophobicContact CG2-CB 4Å; N351-P353 VanDerWaalsContact O-CD 3.32Å; N351-P353 WeakPolarHBondContact O-CD 3.27Å; P353-D355 VanDerWaalsContact C-N 3.28Å; P353-D355 PolarHBondContact O-N 2.83Å; P353-I356 PolarHBondContact O-N 2.96Å; P353-Y472 HydrophobicContact CG-CD1 4.09Å; P353-Y472 HydrophobicContact CG-CE1 4.18Å; P353-W475 HydrophobicContact CB-CD2 3.79Å; P353-W475 HydrophobicContact CB-CE3 3.93Å; P353-W475 HydrophobicContact CB-CG 4.48Å; P353-W475 HydrophobicContact CB-CH2 3.82Å; P353-W475 HydrophobicContact CB-CZ2 3.67Å; P353-W475 HydrophobicContact CB-CZ3 3.95Å; P353-W475 HydrophobicContact CG-CD2 3.95Å; P353-W475 HydrophobicContact CG-CE3 4.11Å; P353-W475 HydrophobicContact CG-CG 4.26Å; P353-W475 PolarHBondContact O-NE1 3.36Å
354W88.5Confident87.8Confident61 Ų6134.8 Ų34.823%0.23116%0.155CC..G310 helixtrans-71-19.8174.249.776.9000114R307 F352 I356 K471 Y472R307-W354 PolarHBondContact NE-O 3.27Å; R307-W354 PolarHBondContact NH1-O 3.23Å; F352-W354 HydrophobicContact CB-CZ2 4.46Å; F352-W354 AromaticContact CD1-CE2 3.9Å; F352-W354 HydrophobicContact CD1-CH2 4.12Å; F352-W354 AromaticContact CD1-CZ2 3.41Å; F352-W354 HydrophobicContact CD1-CZ2 3.41Å; F352-W354 VanDerWaalsContact CD1-CZ2 3.41Å; F352-W354 HydrophobicContact CE1-CZ2 4.12Å; F352-W354 HydrophobicContact CG-CZ2 4.4Å; F352-W354 PolarHBondContact O-N 3.17Å; F352-W354 VanDerWaalsContact O-N 3.16Å; W354-I356 VanDerWaalsContact C-N 3.33Å; W354-K471 HydrophobicContact CH2-CB 4.37Å; W354-K471 HydrophobicContact CH2-CD 4.25Å; W354-K471 HydrophobicContact CZ3-CB 3.94Å; W354-Y472 HydrophobicContact CH2-CE1 4.35Å; W354-Y472 HydrophobicContact CZ3-CD1 4.2Å; W354-Y472 HydrophobicContact CZ3-CE1 4.04Å
355D86.4Confident87.8Confident52 Ų5237 Ų3728%0.27817%0.165SC..G310 helixtrans-86.7-7.8178.3-69.5-34.8000112.8G306 R307 F352 P353 D357G306-D355 CarbonylContact C-O 3.57Å; G306-D355 WeakPolarHBondContact CA-O 3.41Å; R307-D355 PolarHBondContact N-O 3.39Å; R307-D355 VanDerWaalsContact N-O 3.13Å; F352-D355 HydrophobicContact CB-CB 4.4Å; F352-D355 PolarHBondContact O-N 3.47Å; P353-D355 VanDerWaalsContact C-N 3.28Å; P353-D355 PolarHBondContact O-N 2.83Å; D355-D357 PolarHBondContact O-N 3.45Å
356I85.1Confident88Confident6 Ų637.3 Ų37.33%0.03117%0.166CC..SBendtrans-75.6124.3178.9-56.7-178.1000110.8L237 I301 T350 P353 W354 L360 R361L237-I356 HydrophobicContact CD1-CD1 4.05Å; L237-I356 HydrophobicContact CD2-CD1 3.68Å; I301-I356 HydrophobicContact CG2-CD1 4.1Å; T350-I356 HydrophobicContact CG2-CD1 3.71Å; P353-I356 PolarHBondContact O-N 2.96Å; W354-I356 VanDerWaalsContact C-N 3.33Å; I356-L360 HydrophobicContact CG2-CB 3.92Å; I356-L360 HydrophobicContact CG2-CD2 3.83Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; I356-R361 HydrophobicContact CB-CG 4.05Å; I356-R361 HydrophobicContact CG2-CG 3.6Å; I356-R361 PolarHBondContact O-NE 3.1Å
357D83.7Confident88Confident27 Ų2739.7 Ų39.714%0.14418%0.175CC..  trans-61.1147.7174.4-172.510.2000113.4R308 K321 D355 A359 L360 R361R308-D357 IonicContact CZ-OD2 3.35Å; R308-D357 IonicContact NE-OD2 2.74Å; R308-D357 PolarHBondContact NE-OD2 2.87Å; R308-D357 IonicContact NH2-OD2 3.73Å; R308-D357 PolarHBondContact NH2-OD2 3.29Å; K321-D357 WeakPolarHBondContact CE-OD2 3.32Å; K321-D357 IonicContact NZ-OD2 3.15Å; K321-D357 PolarHBondContact NZ-OD2 3.48Å; D355-D357 PolarHBondContact O-N 3.45Å; D357-A359 VanDerWaalsContact C-N 3.26Å; D357-A359 PolarHBondContact O-N 2.85Å; D357-L360 PolarHBondContact O-N 3.42Å; D357-L360 VanDerWaalsContact O-N 3.11Å; D357-R361 WeakPolarHBondContact O-CG 3.03Å; D357-R361 PolarHBondContact O-N 3.38Å
358E84.1Confident88Confident102 Ų10239.7 Ų39.748%0.47718%0.175SC..Hα-helixtrans-56.3-39.2-178.9-168.2-166.4144.700112.4L360 R361 R362E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 3.49Å; E358-R361 PolarHBondContact O-N 3.23Å; E358-R362 VanDerWaalsContact O-CG 3.3Å; E358-R362 WeakPolarHBondContact O-CG 3.26Å; E358-R362 PolarHBondContact O-N 2.96Å; E358-R362 IonicContact OE1-NH1 3.89Å
359A85.4Confident87.9Confident31 Ų3142.4 Ų42.426%0.25619%0.185SC..Hα-helixtrans-58.2-42.2178.900000112.2L325 D357L325-A359 HydrophobicContact CD1-CB 3.87Å; L325-A359 HydrophobicContact CD2-CB 4.38Å; D357-A359 VanDerWaalsContact C-N 3.26Å; D357-A359 PolarHBondContact O-N 2.85Å
360L84.6Confident87.9Confident0 Ų042.4 Ų42.40%019%0.185CC..Hα-helixtrans-77.1-39.2179.1-16374.9000111.3I301 C305 L325 M328 I356 D357 E358 R362 R363 L364I301-L360 HydrophobicContact CD1-CD1 4.45Å; I301-L360 HydrophobicContact CD1-CD2 3.53Å; I301-L360 HydrophobicContact CD1-CG 4.38Å; I301-L360 HydrophobicContact CG1-CD2 3.76Å; C305-L360 HydrophobicContact CB-CD2 3.58Å; C305-L360 WeakPolarHBondContact SG-CD2 3.43Å; L325-L360 HydrophobicContact CD2-CB 4.35Å; L325-L360 HydrophobicContact CD2-CD1 3.72Å; M328-L360 HydrophobicContact SD-CD1 3.81Å; I356-L360 HydrophobicContact CG2-CB 3.92Å; I356-L360 HydrophobicContact CG2-CD2 3.83Å; I356-L360 HydrophobicContact CG2-CG 4.32Å; D357-L360 PolarHBondContact O-N 3.42Å; D357-L360 VanDerWaalsContact O-N 3.11Å; E358-L360 VanDerWaalsContact C-N 3.29Å; E358-L360 PolarHBondContact O-N 3.49Å; L360-R362 PolarHBondContact O-N 3.26Å; L360-R363 PolarHBondContact O-N 3.25Å; L360-L364 HydrophobicContact CD2-CD1 4.08Å; L360-L364 HydrophobicContact CG-CD1 3.86Å; L360-L364 PolarHBondContact O-N 2.88Å
361R86.1Confident87.9Confident51 Ų5144.8 Ų44.819%0.19220%0.201CC..Hα-helixtrans-55.3-37172.7-68.8-171.2-63.11433.6111.6I356 D357 E358 R363 L364 R367I356-R361 HydrophobicContact CB-CG 4.05Å; I356-R361 HydrophobicContact CG2-CG 3.6Å; I356-R361 PolarHBondContact O-NE 3.1Å; D357-R361 WeakPolarHBondContact O-CG 3.03Å; D357-R361 PolarHBondContact O-N 3.38Å; E358-R361 PolarHBondContact O-N 3.23Å; R361-R363 VanDerWaalsContact C-N 3.34Å; R361-R363 PolarHBondContact O-N 2.81Å; R361-L364 CarbonylContact O-C 3.51Å; R361-L364 PolarHBondContact O-N 2.82Å; R361-R367 PolarHBondContact O-NH2 3.27Å
362R86.2Confident87.9Confident161 Ų16144.8 Ų44.861%0.60820%0.201SC*.Hα-helixtrans-69.3-25.6176.6-71.8172.375.5152.11.9114.1E358 L360E358-R362 VanDerWaalsContact O-CG 3.3Å; E358-R362 WeakPolarHBondContact O-CG 3.26Å; E358-R362 PolarHBondContact O-N 2.96Å; E358-R362 IonicContact OE1-NH1 3.89Å; L360-R362 PolarHBondContact O-N 3.26Å
363R86.3Confident88Confident95 Ų9541.1 Ų41.136%0.35819%0.186SC..Hα-helixtrans-86.7-28.5176.9-61-64.3175.5-127.111.7112.5L325 M328 D329 L360 R361 E365L325-R363 HydrophobicContact CD2-CG 3.93Å; M328-R363 HydrophobicContact CE-CB 3.77Å; M328-R363 HydrophobicContact SD-CB 4.39Å; D329-R363 VanDerWaalsContact CG-CZ 3.43Å; D329-R363 WeakPolarHBondContact OD1-CD 3.26Å; D329-R363 IonicContact OD1-CZ 2.64Å; D329-R363 IonicContact OD1-NE 2.85Å; D329-R363 PolarHBondContact OD1-NE 2.77Å; D329-R363 IonicContact OD1-NH1 3.81Å; D329-R363 IonicContact OD1-NH2 3.54Å; D329-R363 PolarHBondContact OD1-NH2 3.29Å; D329-R363 IonicContact OD2-CZ 3.43Å; D329-R363 IonicContact OD2-NE 3.32Å; D329-R363 PolarHBondContact OD2-NE 3.08Å; D329-R363 VanDerWaalsContact OD2-NE 3.08Å; D329-R363 IonicContact OD2-NH2 3.21Å; D329-R363 PolarHBondContact OD2-NH2 2.95Å; L360-R363 PolarHBondContact O-N 3.25Å; R361-R363 VanDerWaalsContact C-N 3.34Å; R361-R363 PolarHBondContact O-N 2.81Å; R363-E365 PolarHBondContact O-N 3.35Å
364L88Confident88.1Confident0 Ų044.5 Ų44.50%021%0.207CC..  trans-90.177.9173.6-63.3166.5000108.7L237 I301 M328 A348 L360 R361 R367L237-L364 HydrophobicContact CB-CB 3.92Å; L237-L364 HydrophobicContact CB-CD1 4.06Å; L237-L364 HydrophobicContact CB-CD2 4.36Å; L237-L364 HydrophobicContact CB-CG 4.33Å; L237-L364 HydrophobicContact CD1-CD1 4.08Å; L237-L364 HydrophobicContact CD2-CD1 4.18Å; L237-L364 HydrophobicContact CG-CD1 4.32Å; I301-L364 HydrophobicContact CD1-CD1 4.45Å; M328-L364 HydrophobicContact CE-CD2 3.97Å; M328-L364 HydrophobicContact CE-CG 4.3Å; A348-L364 HydrophobicContact CB-CD1 4.2Å; A348-L364 HydrophobicContact CB-CD2 3.9Å; L360-L364 HydrophobicContact CD2-CD1 4.08Å; L360-L364 HydrophobicContact CG-CD1 3.86Å; L360-L364 PolarHBondContact O-N 2.88Å; R361-L364 CarbonylContact O-C 3.51Å; R361-L364 PolarHBondContact O-N 2.82Å; L364-R367 VanDerWaalsContact O-CZ 3.31Å; L364-R367 PolarHBondContact O-NE 3.07Å; L364-R367 PolarHBondContact O-NH2 3.29Å; L364-R367 VanDerWaalsContact O-NH2 3.1Å
365E85.3Confident88.1Confident60 Ų6044.2 Ų44.228%0.2822%0.218SC..  trans-67.6-44.8-170.6-67177.7157.500112.1R231 W233 G235 R363 R367R231-E365 IonicContact NH2-OE1 2.88Å; W233-E365 HydrophobicContact CE3-CB 3.4Å; W233-E365 HydrophobicContact CE3-CG 4.32Å; W233-E365 HydrophobicContact CZ3-CB 3.63Å; W233-E365 HydrophobicContact CZ3-CG 4.46Å; G235-E365 PolarHBondContact O-N 3.17Å; R363-E365 PolarHBondContact O-N 3.35Å; E365-R367 VanDerWaalsContact O-CZ 3.32Å; E365-R367 PolarHBondContact O-NE 3.42Å
366K88.9Confident88.3Confident22 Ų2246.4 Ų46.410%0.09623%0.233CC..EExtended strand (participates in β ladder)trans-93.4126.5175.8-169.472.2179.2163.70109.7W233 G235 V236 L237 I368 S481 V482W233-K366 HydrophobicContact CB-CB 4.47Å; W233-K366 HydrophobicContact CD2-CB 4.25Å; W233-K366 HydrophobicContact CG-CB 4.16Å; G235-K366 PolarHBondContact O-N 2.88Å; V236-K366 CarbonylContact C-O 3.59Å; V236-K366 WeakPolarHBondContact CA-O 3.3Å; V236-K366 HydrophobicContact CG1-CB 4.46Å; V236-K366 HydrophobicContact CG2-CB 4.42Å; L237-K366 PolarHBondContact N-O 2.78Å; K366-I368 HydrophobicContact CG-CD1 4.47Å; K366-I368 HydrophobicContact CG-CG1 4.15Å; K366-S481 PolarHBondContact NZ-O 3.05Å; K366-V482 PolarHBondContact NZ-OXT 3.39Å
367R90.9Very high88.5Confident52 Ų5246.2 Ų46.220%0.19623%0.232CC..EExtended strand (participates in β ladder)trans-117.4125.4174-51.995.2-171.6-165.811.5109.3L237 R361 L364 E365 W475 F479 S481L237-R367 HydrophobicContact CB-CG 4.26Å; L237-R367 HydrophobicContact CD2-CG 4.24Å; L237-R367 CarbonylContact O-C 3.58Å; L237-R367 VanDerWaalsContact O-CA 3.28Å; L237-R367 WeakPolarHBondContact O-CA 3.46Å; R361-R367 PolarHBondContact O-NH2 3.27Å; L364-R367 VanDerWaalsContact O-CZ 3.31Å; L364-R367 PolarHBondContact O-NE 3.07Å; L364-R367 PolarHBondContact O-NH2 3.29Å; L364-R367 VanDerWaalsContact O-NH2 3.1Å; E365-R367 VanDerWaalsContact O-CZ 3.32Å; E365-R367 PolarHBondContact O-NE 3.42Å; R367-W475 HydrophobicContact CG-CH2 4.39Å; R367-F479 WeakPolarHBondContact CD-O 3.44Å; R367-F479 PolarHBondContact NH1-O 3.38Å; R367-S481 PolarHBondContact N-OG 3.37Å; R367-S481 PolarHBondContact O-OG 3Å
368I91.2Very high88.9Confident1 Ų145.9 Ų45.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-117.5121.3-176.9-57.5176.7000107.2A208 L211 L212 V236 L237 M238 V239 K366A208-I368 HydrophobicContact CB-CG2 3.93Å; L211-I368 HydrophobicContact CB-CD1 3.95Å; L211-I368 HydrophobicContact CB-CG1 4.34Å; L211-I368 HydrophobicContact CD1-CG2 4.32Å; L212-I368 HydrophobicContact CD2-CD1 3.64Å; L212-I368 HydrophobicContact CG-CD1 3.71Å; V236-I368 HydrophobicContact CG1-CD1 3.69Å; V236-I368 HydrophobicContact CG1-CG1 4.17Å; L237-I368 PolarHBondContact O-N 3.23Å; M238-I368 WeakPolarHBondContact CA-O 3.26Å; V239-I368 PolarHBondContact N-O 3.46Å; K366-I368 HydrophobicContact CG-CD1 4.47Å; K366-I368 HydrophobicContact CG-CG1 4.15Å
369Y91.6Very high89.3Confident56 Ų5641.7 Ų41.722%0.2221%0.21CC..EExtended strand (participates in β ladder)trans-82131.8172.5177.6-119.6000110V239 P371 Y472 M476V239-Y369 HydrophobicContact CG2-CD2 4.19Å; V239-Y369 CarbonylContact O-C 3.37Å; V239-Y369 WeakPolarHBondContact O-CA 3.45Å; Y369-P371 HydrophobicContact CD1-CB 4.28Å; Y369-P371 HydrophobicContact CE1-CB 3.71Å; Y369-P371 WeakPolarHBondContact O-CD 3.35Å; Y369-Y472 HydrophobicContact CE2-CD1 4.49Å; Y369-Y472 HydrophobicContact CE2-CG 4.11Å; Y369-M476 HydrophobicContact CD2-CG 4.13Å; Y369-M476 HydrophobicContact CG-CG 4.11Å
370I92.2Very high89.5Confident0 Ų044 Ų440%022%0.215CC..  trans-110.9101.2176.8-62170.5000106.7L205 M238 V239 K246 L249L205-I370 HydrophobicContact CD1-CG2 3.99Å; L205-I370 HydrophobicContact CD2-CG2 4.13Å; M238-I370 HydrophobicContact CB-CD1 3.7Å; M238-I370 HydrophobicContact CG-CD1 3.87Å; M238-I370 HydrophobicContact SD-CD1 3.97Å; V239-I370 PolarHBondContact O-N 3.02Å; K246-I370 HydrophobicContact CB-CD1 4.06Å; K246-I370 HydrophobicContact CD-CD1 4.03Å; K246-I370 HydrophobicContact CG-CD1 3.58Å; L249-I370 HydrophobicContact CD1-CD1 3.62Å; L249-I370 HydrophobicContact CD1-CG1 4.21Å; L249-I370 HydrophobicContact CD1-CG2 4.4Å
371P91.4Very high89.8Confident51 Ų5145.4 Ų45.433%0.33122%0.223SC..PPolyproline II helixtrans-72173.8-178.430.4-36.4000112.2L205 Y369L205-P371 HydrophobicContact CD2-CG 3.92Å; Y369-P371 HydrophobicContact CD1-CB 4.28Å; Y369-P371 HydrophobicContact CE1-CB 3.71Å; Y369-P371 WeakPolarHBondContact O-CD 3.35Å
372L92Very high90.1Very high22 Ų2243 Ų4312%0.11521%0.214CC..PPolyproline II helixtrans-69.2153.2163.6-67.4177.5000110.4P241 T244 V464 L469P241-L372 HydrophobicContact CB-CD2 4.32Å; P241-L372 HydrophobicContact CG-CD2 3.73Å; P241-L372 HydrophobicContact CG-CG 3.99Å; T244-L372 HydrophobicContact CG2-CD2 3.95Å; L372-V464 HydrophobicContact CD1-CB 4.42Å; L372-V464 HydrophobicContact CD1-CG1 4.47Å; L372-V464 HydrophobicContact CD2-CG2 4.36Å; L372-L469 HydrophobicContact CD1-CD1 3.94Å; L372-L469 HydrophobicContact CD1-CD2 3.87Å; L372-L469 HydrophobicContact CD1-CG 4.43Å; L372-L469 HydrophobicContact CG-CD2 4.19Å
373P91.1Very high90.3Very high13 Ų1341.2 Ų41.28%0.08421%0.21CC..PPolyproline II helixtrans-64.2136.6-179.225.7-34.4000112.5D204 R378 L381 I412D204-P373 WeakPolarHBondContact OD2-CA 3.41Å; P373-R378 HydrophobicContact CB-CG 3.92Å; P373-R378 HydrophobicContact CG-CG 3.87Å; P373-R378 PolarHBondContact O-NH1 3.42Å; P373-L381 HydrophobicContact CB-CD1 3.81Å; P373-L381 HydrophobicContact CG-CD1 3.92Å; P373-I412 HydrophobicContact CG-CD1 4.08Å
374T90.6Very high90.4Very high71 Ų7140 Ų4044%0.43621%0.211SC..PPolyproline II helixtrans-66.6170.3173.265.20000111.3D204 V376 G377 R378D204-T374 WeakPolarHBondContact OD2-CB 3.34Å; D204-T374 PolarHBondContact OD2-N 3.38Å; D204-T374 PolarHBondContact OD2-OG1 3Å; T374-V376 VanDerWaalsContact C-N 3.25Å; T374-V376 PolarHBondContact O-N 3.2Å; T374-G377 PolarHBondContact O-N 3.36Å; T374-G377 PolarHBondContact OG1-N 2.73Å; T374-G377 VanDerWaalsContact OG1-N 3.15Å; T374-R378 VanDerWaalsContact O-CG 3.31Å; T374-R378 WeakPolarHBondContact O-CG 3.14Å; T374-R378 PolarHBondContact O-N 2.88Å
375A89.5Confident90.4Very high56 Ų5642.2 Ų42.246%0.46322%0.222SC..Hα-helixtrans-56.4-41177.600000112.4R378 V379A375-R378 PolarHBondContact O-N 3.15Å; A375-V379 PolarHBondContact O-N 3.47Å
376V90Very high90.5Very high98 Ų9839.8 Ų39.859%0.59421%0.211SC*.Hα-helixtrans-67.2-47.3176.2-1780000110.4T374 R378 V379 E380T374-V376 VanDerWaalsContact C-N 3.25Å; T374-V376 PolarHBondContact O-N 3.2Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.01Å; V376-V379 PolarHBondContact O-N 3.2Å; V376-V379 VanDerWaalsContact O-N 3.1Å; V376-E380 PolarHBondContact O-N 2.69Å; V376-E380 VanDerWaalsContact O-N 3.09Å
377G89.8Confident90.4Very high1 Ų149.1 Ų49.11%0.0125%0.246CC..Hα-helixtrans-58.4-36.6177.200000113.6D204 T374 E380 L381D204-G377 WeakPolarHBondContact OD2-CA 3.43Å; T374-G377 PolarHBondContact O-N 3.36Å; T374-G377 PolarHBondContact OG1-N 2.73Å; T374-G377 VanDerWaalsContact OG1-N 3.15Å; G377-E380 PolarHBondContact O-N 2.95Å; G377-L381 WeakPolarHBondContact O-CB 3.49Å; G377-L381 WeakPolarHBondContact O-CG 3.49Å; G377-L381 PolarHBondContact O-N 2.9Å
378R92.2Very high90.1Very high20 Ų2054.8 Ų54.88%0.07527%0.274CS..Hα-helixtrans-65.2-40.5175.6-70.5-169.3-54.8-93.49.4112.4P373 T374 A375 V376 E380 L381 L382 A401 I404 I412P373-R378 HydrophobicContact CB-CG 3.92Å; P373-R378 HydrophobicContact CG-CG 3.87Å; P373-R378 PolarHBondContact O-NH1 3.42Å; T374-R378 VanDerWaalsContact O-CG 3.31Å; T374-R378 WeakPolarHBondContact O-CG 3.14Å; T374-R378 PolarHBondContact O-N 2.88Å; A375-R378 PolarHBondContact O-N 3.15Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.01Å; R378-E380 VanDerWaalsContact C-N 3.35Å; R378-L381 PolarHBondContact O-N 3.25Å; R378-L382 VanDerWaalsContact O-CG 3.27Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.34Å; R378-A401 HydrophobicContact CB-CB 4.12Å; R378-A401 PolarHBondContact NE-O 2.93Å; R378-A401 PolarHBondContact NH2-O 3.21Å; R378-I404 HydrophobicContact CB-CD1 4.01Å; R378-I404 VanDerWaalsContact CD-O 3.25Å; R378-I404 WeakPolarHBondContact CD-O 3.49Å; R378-I404 HydrophobicContact CG-CD1 4.26Å; R378-I412 HydrophobicContact CB-CD1 4.33Å; R378-I412 HydrophobicContact CG-CD1 3.82Å
379V92.3Very high89.9Confident14 Ų1456.1 Ų56.19%0.08528%0.282CS..Hα-helixtrans-63.4-43.5175.3174.80000110.6A375 V376 L382 K383 A401A375-V379 PolarHBondContact O-N 3.47Å; V376-V379 PolarHBondContact O-N 3.2Å; V376-V379 VanDerWaalsContact O-N 3.1Å; V379-L382 PolarHBondContact O-N 3.19Å; V379-K383 HydrophobicContact CG1-CD 4.3Å; V379-K383 WeakPolarHBondContact O-CG 3.36Å; V379-K383 PolarHBondContact O-N 3.36Å; V379-A401 HydrophobicContact CG2-CB 3.4Å; V379-A401 VanDerWaalsContact CG2-CB 3.4Å
380E90.1Very high89.7Confident80 Ų8059.3 Ų59.337%0.37430%0.3SS..Hα-helixtrans-64.6-44.2176.8-69.5-176168.700112.2A203 V376 G377 R378 L382 K383 I384A203-E380 HydrophobicContact CB-CB 3.75Å; V376-E380 PolarHBondContact O-N 2.69Å; V376-E380 VanDerWaalsContact O-N 3.09Å; G377-E380 PolarHBondContact O-N 2.95Å; R378-E380 VanDerWaalsContact C-N 3.35Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.33Å; E380-K383 WeakPolarHBondContact O-CB 3.27Å; E380-K383 PolarHBondContact O-N 2.95Å; E380-K383 VanDerWaalsContact O-N 3.12Å; E380-I384 WeakPolarHBondContact O-CG1 3.46Å; E380-I384 PolarHBondContact O-N 3.1Å
381L90.5Very high89.5Confident29 Ų2962.4 Ų62.415%0.15232%0.315CS..Hα-helixtrans-58.5-43.3174.3-77.6173000111.7A203 P373 G377 R378 K383 I384 N385 I412A203-L381 HydrophobicContact CB-CD2 3.73Å; A203-L381 HydrophobicContact CB-CG 3.73Å; P373-L381 HydrophobicContact CB-CD1 3.81Å; P373-L381 HydrophobicContact CG-CD1 3.92Å; G377-L381 WeakPolarHBondContact O-CB 3.49Å; G377-L381 WeakPolarHBondContact O-CG 3.49Å; G377-L381 PolarHBondContact O-N 2.9Å; R378-L381 PolarHBondContact O-N 3.25Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3.38Å; L381-I384 PolarHBondContact O-N 3.15Å; L381-N385 WeakPolarHBondContact O-CB 3.46Å; L381-N385 PolarHBondContact O-N 3.49Å; L381-N385 PolarHBondContact O-ND2 2.95Å; L381-I412 HydrophobicContact CB-CG2 4.34Å; L381-I412 HydrophobicContact CD1-CD1 3.91Å
382L91.4Very high89.4Confident1 Ų160.6 Ų60.61%0.00531%0.305CS..Hα-helixtrans-60.2-44.4175.3-73.2169.3000111R378 V379 E380 I384 N385 L386 L397 I400 A401 I404 I412R378-L382 VanDerWaalsContact O-CG 3.27Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.34Å; V379-L382 PolarHBondContact O-N 3.19Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.33Å; L382-I384 PolarHBondContact O-N 2.87Å; L382-N385 PolarHBondContact O-N 3.08Å; L382-L386 HydrophobicContact CB-CD1 4.43Å; L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 WeakPolarHBondContact O-CD1 3.47Å; L382-L386 WeakPolarHBondContact O-CG 3.21Å; L382-L386 PolarHBondContact O-N 2.98Å; L382-L397 HydrophobicContact CB-CD2 4.32Å; L382-I400 HydrophobicContact CD1-CB 4.15Å; L382-I400 HydrophobicContact CD1-CG2 3.85Å; L382-I400 HydrophobicContact CD2-CG2 4.35Å; L382-A401 HydrophobicContact CD1-CB 4.28Å; L382-I404 HydrophobicContact CD1-CD1 4.14Å; L382-I404 HydrophobicContact CD2-CD1 4.48Å; L382-I404 HydrophobicContact CG-CD1 4.37Å; L382-I412 HydrophobicContact CD2-CG2 3.75Å; L382-I412 HydrophobicContact CG-CG2 4.15Å
383K90Very high89.1Confident123 Ų12366.3 Ų66.354%0.53534%0.343SS..Hα-helixtrans-61.9-41.7177.4-71.3170.9-178.4170.90112.6V379 E380 L381 R387 L397V379-K383 HydrophobicContact CG1-CD 4.3Å; V379-K383 WeakPolarHBondContact O-CG 3.36Å; V379-K383 PolarHBondContact O-N 3.36Å; E380-K383 WeakPolarHBondContact O-CB 3.27Å; E380-K383 PolarHBondContact O-N 2.95Å; E380-K383 VanDerWaalsContact O-N 3.12Å; L381-K383 VanDerWaalsContact C-N 3.33Å; L381-K383 PolarHBondContact O-N 3.38Å; K383-R387 PolarHBondContact O-N 3.24Å; K383-L397 HydrophobicContact CG-CD1 3.73Å
384I88.9Confident89Confident71 Ų7169.7 Ų69.736%0.36436%0.361SS..Hα-helixtrans-65.7-48.8178.2-66.8171.1000110.4A203 E380 L381 L382 L386 R387A203-I384 HydrophobicContact CB-CD1 3.86Å; E380-I384 WeakPolarHBondContact O-CG1 3.46Å; E380-I384 PolarHBondContact O-N 3.1Å; L381-I384 PolarHBondContact O-N 3.15Å; L382-I384 PolarHBondContact O-N 2.87Å; I384-L386 VanDerWaalsContact C-N 3.29Å; I384-L386 PolarHBondContact O-N 2.94Å; I384-R387 WeakPolarHBondContact O-CB 3.49Å; I384-R387 PolarHBondContact O-N 3.46Å
385N88.4Confident88.9Confident46 Ų4667.4 Ų67.425%0.24635%0.347CS..Hα-helixtrans-66.8-29.4-178.5-77.4-82.6000112.9L381 L382 T413 C416L381-N385 WeakPolarHBondContact O-CB 3.46Å; L381-N385 PolarHBondContact O-N 3.49Å; L381-N385 PolarHBondContact O-ND2 2.95Å; L382-N385 PolarHBondContact O-N 3.08Å; N385-T413 WeakPolarHBondContact OD1-CB 3.4Å; N385-T413 WeakPolarHBondContact OD1-CG2 3.38Å; N385-T413 PolarHBondContact OD1-OG1 3.3Å; N385-C416 HydrophobicContact CB-CB 4.01Å
386L88.3Confident88.9Confident9 Ų967.9 Ų67.95%0.04734%0.342CS..THydrogen-bonded Turntrans-94.86.1-178.6-61.4167.5000113.2L382 I384 E388 V389 L391 L397 C416 F453L382-L386 HydrophobicContact CB-CD1 4.43Å; L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.41Å; L382-L386 WeakPolarHBondContact O-CD1 3.47Å; L382-L386 WeakPolarHBondContact O-CG 3.21Å; L382-L386 PolarHBondContact O-N 2.98Å; I384-L386 VanDerWaalsContact C-N 3.29Å; I384-L386 PolarHBondContact O-N 2.94Å; L386-E388 PolarHBondContact O-N 2.96Å; L386-V389 HydrophobicContact CD2-CB 4.32Å; L386-V389 PolarHBondContact O-N 2.74Å; L386-V389 VanDerWaalsContact O-O 3.07Å; L386-L391 HydrophobicContact CB-CD1 4.12Å; L386-L391 HydrophobicContact CB-CD2 4.5Å; L386-L391 HydrophobicContact CD1-CD1 4.04Å; L386-L391 HydrophobicContact CD1-CD2 4.01Å; L386-L391 HydrophobicContact CD2-CD2 4.19Å; L386-L391 HydrophobicContact CG-CD2 4.45Å; L386-L397 HydrophobicContact CD1-CD2 3.78Å; L386-C416 HydrophobicContact CD2-CB 3.99Å; L386-F453 HydrophobicContact CD1-CZ 3.91Å; L386-F453 HydrophobicContact CD2-CZ 4.04Å
387R86.9Confident88.9Confident217 Ų21764.6 Ų64.682%0.81932%0.321SS*.THydrogen-bonded Turntrans-59.1-29.8-180-174178.1177.6-173.2-0.1113.5K383 I384K383-R387 PolarHBondContact O-N 3.24Å; I384-R387 WeakPolarHBondContact O-CB 3.49Å; I384-R387 PolarHBondContact O-N 3.46Å
388E84.6Confident89Confident171 Ų17169.2 Ų69.280%0.79935%0.345SS*.THydrogen-bonded Turntrans-95.5-1.3-179.6-59.6-175.3165.800113.4L386 Q445L386-E388 PolarHBondContact O-N 2.96Å; E388-Q445 PolarHBondContact O-NE2 3.17Å
389V86Confident88.9Confident29 Ų2972.3 Ų72.318%0.17636%0.362CS..SBendtrans-117.7131.6-171.2-176.70000110.1L386 L391 V448L386-V389 HydrophobicContact CD2-CB 4.32Å; L386-V389 PolarHBondContact O-N 2.74Å; L386-V389 VanDerWaalsContact O-O 3.07Å; V389-L391 PolarHBondContact O-N 3.22Å; V389-V448 HydrophobicContact CG1-CB 4.42Å; V389-V448 HydrophobicContact CG1-CG2 3.44Å; V389-V448 VanDerWaalsContact CG1-CG2 3.44Å
390E86.6Confident88.8Confident124 Ų12471.6 Ų71.658%0.57936%0.358SS*.  trans-72.6127.7173.1-62.8-168.5170.600110.3P447 V448E390-P447 HydrophobicContact CB-CB 4.39Å; E390-P447 CarbonylContact O-C 3.59Å; E390-P447 VanDerWaalsContact O-CA 3.29Å; E390-P447 WeakPolarHBondContact O-CA 3.38Å; E390-V448 PolarHBondContact O-N 2.56Å
391L88.1Confident88.9Confident64 Ų6468 Ų6834%0.33534%0.342SS..BIsolated β-bridgetrans-105.3137178.9-64171.2000109.8L386 V389 V395 V448 F453L386-L391 HydrophobicContact CB-CD1 4.12Å; L386-L391 HydrophobicContact CB-CD2 4.5Å; L386-L391 HydrophobicContact CD1-CD1 4.04Å; L386-L391 HydrophobicContact CD1-CD2 4.01Å; L386-L391 HydrophobicContact CD2-CD2 4.19Å; L386-L391 HydrophobicContact CG-CD2 4.45Å; V389-L391 PolarHBondContact O-N 3.22Å; L391-V395 HydrophobicContact CD2-CG1 4.4Å; L391-V448 HydrophobicContact CD2-CB 4.29Å; L391-F453 HydrophobicContact CD2-CE2 4.23Å; L391-F453 HydrophobicContact CD2-CZ 4.47Å
392A89.3Confident89Confident14 Ų1473.2 Ų73.212%0.11637%0.365CS..  trans-71.7151.4170.200000110.5D394 V395 P447 V448 T449A392-D394 WeakPolarHBondContact CB-OD1 3.3Å; A392-D394 PolarHBondContact O-N 3.4Å; A392-D394 VanDerWaalsContact O-N 3.1Å; A392-V395 WeakPolarHBondContact O-CB 3.38Å; A392-V395 WeakPolarHBondContact O-CG2 2.86Å; A392-V395 PolarHBondContact O-N 3.15Å; A392-V395 VanDerWaalsContact O-N 3.09Å; A392-P447 HydrophobicContact CB-CB 4.24Å; A392-V448 WeakPolarHBondContact CB-O 3.4Å; A392-V448 PolarHBondContact N-O 3.03Å; A392-T449 HydrophobicContact CB-CG2 4.06Å
393P86.9Confident88.9Confident141 Ų14179.4 Ų79.492%0.91639%0.392SS*.THydrogen-bonded Turntrans-67.7-10.3-17527.6-36000114V395P393-V395 VanDerWaalsContact C-N 3.31Å
394D88.3Confident88.9Confident85 Ų8573.6 Ų73.646%0.45537%0.367SS..THydrogen-bonded Turntrans-78.6-13.4174.367.4-39.9000113.1A392 N396 M450A392-D394 WeakPolarHBondContact CB-OD1 3.3Å; A392-D394 PolarHBondContact O-N 3.4Å; A392-D394 VanDerWaalsContact O-N 3.1Å; D394-N396 PolarHBondContact O-N 3.21Å; D394-M450 WeakPolarHBondContact OD2-CB 3.31Å; D394-M450 PolarHBondContact OD2-N 3.27Å
395V88Confident89Confident23 Ų2377 Ų7714%0.13938%0.382CS..  trans-77.9114.2-176.7-1790000110.7L391 A392 P393 L397 I400 V448 F453L391-V395 HydrophobicContact CD2-CG1 4.4Å; A392-V395 WeakPolarHBondContact O-CB 3.38Å; A392-V395 WeakPolarHBondContact O-CG2 2.86Å; A392-V395 PolarHBondContact O-N 3.15Å; A392-V395 VanDerWaalsContact O-N 3.09Å; P393-V395 VanDerWaalsContact C-N 3.31Å; V395-L397 HydrophobicContact CG1-CD2 4.05Å; V395-I400 HydrophobicContact CG1-CD1 3.9Å; V395-V448 WeakPolarHBondContact CG2-O 3.35Å; V395-F453 HydrophobicContact CG1-CD2 4.27Å; V395-F453 HydrophobicContact CG1-CE2 3.97Å; V395-F453 HydrophobicContact CG2-CE2 4.43Å
396N90.1Very high89Confident66 Ų6675.7 Ų75.735%0.35338%0.379SS..  trans-104.4109.1172.6-173.7-36.1000110.4D394 D398 L399 I400D394-N396 PolarHBondContact O-N 3.21Å; N396-D398 VanDerWaalsContact C-N 3.34Å; N396-D398 PolarHBondContact O-N 2.86Å; N396-D398 WeakPolarHBondContact OD1-CB 3.43Å; N396-D398 PolarHBondContact OD1-N 2.88Å; N396-L399 HydrophobicContact CB-CB 4.25Å; N396-L399 HydrophobicContact CB-CD1 3.95Å; N396-L399 HydrophobicContact CB-CG 4.13Å; N396-L399 PolarHBondContact O-N 3.02Å; N396-L399 PolarHBondContact OD1-N 2.85Å; N396-I400 WeakPolarHBondContact O-CG1 3.45Å; N396-I400 PolarHBondContact O-N 2.64Å
397L90.2Very high89.2Confident29 Ų2976.2 Ų76.215%0.15238%0.381CS..Hα-helixtrans-67.5-31.7-177.9-60.6-179.5000113.1L382 K383 L386 V395 I400 A401L382-L397 HydrophobicContact CB-CD2 4.32Å; K383-L397 HydrophobicContact CG-CD1 3.73Å; L386-L397 HydrophobicContact CD1-CD2 3.78Å; V395-L397 HydrophobicContact CG1-CD2 4.05Å; L397-I400 HydrophobicContact CD2-CD1 4.49Å; L397-I400 PolarHBondContact O-N 3.36Å; L397-A401 WeakPolarHBondContact O-CB 3.38Å; L397-A401 PolarHBondContact O-N 3.4Å
398D91.4Very high89.5Confident98 Ų9866 Ų6652%0.52434%0.342SS..Hα-helixtrans-67.8-43.8-180-56.9-53000110.4N396 I400 A401 E402N396-D398 VanDerWaalsContact C-N 3.34Å; N396-D398 PolarHBondContact O-N 2.86Å; N396-D398 WeakPolarHBondContact OD1-CB 3.43Å; N396-D398 PolarHBondContact OD1-N 2.88Å; D398-I400 VanDerWaalsContact C-N 3.29Å; D398-I400 PolarHBondContact O-N 3.36Å; D398-A401 PolarHBondContact O-N 3.42Å; D398-E402 PolarHBondContact O-N 3.3Å
399L90.7Very high89.8Confident84 Ų8458.5 Ų58.544%0.4431%0.311SS..Hα-helixtrans-64.1-34.2175.1-68.3-179.8000112.6N396 K403N396-L399 HydrophobicContact CB-CB 4.25Å; N396-L399 HydrophobicContact CB-CD1 3.95Å; N396-L399 HydrophobicContact CB-CG 4.13Å; N396-L399 PolarHBondContact O-N 3.02Å; N396-L399 PolarHBondContact OD1-N 2.85Å; L399-K403 WeakPolarHBondContact O-CG 3.44Å; L399-K403 PolarHBondContact O-N 3.44Å
400I90.4Very high90Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-67.6-48.8174-64.7168000108.8L382 V395 N396 L397 D398 E402 K403 I404 M450 F453L382-I400 HydrophobicContact CD1-CB 4.15Å; L382-I400 HydrophobicContact CD1-CG2 3.85Å; L382-I400 HydrophobicContact CD2-CG2 4.35Å; V395-I400 HydrophobicContact CG1-CD1 3.9Å; N396-I400 WeakPolarHBondContact O-CG1 3.45Å; N396-I400 PolarHBondContact O-N 2.64Å; L397-I400 HydrophobicContact CD2-CD1 4.49Å; L397-I400 PolarHBondContact O-N 3.36Å; D398-I400 VanDerWaalsContact C-N 3.29Å; D398-I400 PolarHBondContact O-N 3.36Å; I400-E402 VanDerWaalsContact C-N 3.26Å; I400-E402 PolarHBondContact O-N 3.19Å; I400-K403 WeakPolarHBondContact O-CA 3.41Å; I400-K403 WeakPolarHBondContact O-CB 3.5Å; I400-K403 PolarHBondContact O-N 2.94Å; I400-I404 HydrophobicContact CG2-CG2 4.43Å; I400-I404 VanDerWaalsContact O-CG1 3.3Å; I400-I404 WeakPolarHBondContact O-CG1 3.41Å; I400-I404 PolarHBondContact O-N 2.85Å; I400-M450 HydrophobicContact CD1-CE 4.45Å; I400-M450 HydrophobicContact CD1-SD 3.9Å; I400-M450 HydrophobicContact CG1-CE 3.82Å; I400-M450 HydrophobicContact CG1-SD 3.95Å; I400-F453 HydrophobicContact CD1-CB 4.15Å; I400-F453 HydrophobicContact CD1-CD1 4.02Å; I400-F453 HydrophobicContact CD1-CD2 3.88Å; I400-F453 HydrophobicContact CD1-CE1 4.39Å; I400-F453 HydrophobicContact CD1-CE2 4.25Å; I400-F453 HydrophobicContact CD1-CG 3.75Å; I400-F453 HydrophobicContact CD1-CZ 4.5Å
401A91.9Very high90.3Very high3 Ų353.9 Ų53.93%0.02530%0.295CS..Hα-helixtrans-58.3-33.4-178.900000113.7R378 V379 L382 L397 D398R378-A401 HydrophobicContact CB-CB 4.12Å; R378-A401 PolarHBondContact NE-O 2.93Å; R378-A401 PolarHBondContact NH2-O 3.21Å; V379-A401 HydrophobicContact CG2-CB 3.4Å; V379-A401 VanDerWaalsContact CG2-CB 3.4Å; L382-A401 HydrophobicContact CD1-CB 4.28Å; L397-A401 WeakPolarHBondContact O-CB 3.38Å; L397-A401 PolarHBondContact O-N 3.4Å; D398-A401 PolarHBondContact O-N 3.42Å
402E91.7Very high90.6Very high139 Ų13950.9 Ų50.965%0.6528%0.279SS*.Hα-helixtrans-66.1-41.5170.7-73.2-178.6176.300112.2D398 I400D398-E402 PolarHBondContact O-N 3.3Å; I400-E402 VanDerWaalsContact C-N 3.26Å; I400-E402 PolarHBondContact O-N 3.19Å
403K89.9Confident90.7Very high132 Ų13252.9 Ų52.957%0.57429%0.29SS*.Hα-helixtrans-73.2-26.1-179.2-71.3-178.4179.9-178.60114.2L399 I400 E405 L457L399-K403 WeakPolarHBondContact O-CG 3.44Å; L399-K403 PolarHBondContact O-N 3.44Å; I400-K403 WeakPolarHBondContact O-CA 3.41Å; I400-K403 WeakPolarHBondContact O-CB 3.5Å; I400-K403 PolarHBondContact O-N 2.94Å; K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.8Å; K403-L457 HydrophobicContact CB-CD1 4.32Å; K403-L457 HydrophobicContact CD-CD1 4.42Å
404I90.9Very high91Very high1 Ų149.7 Ų49.71%0.00527%0.265CS..THydrogen-bonded Turntrans-91.930.8178.856.5159.5000113R378 L382 I400 G406 Y407 I412 L457R378-I404 HydrophobicContact CB-CD1 4.01Å; R378-I404 VanDerWaalsContact CD-O 3.25Å; R378-I404 WeakPolarHBondContact CD-O 3.49Å; R378-I404 HydrophobicContact CG-CD1 4.26Å; L382-I404 HydrophobicContact CD1-CD1 4.14Å; L382-I404 HydrophobicContact CD2-CD1 4.48Å; L382-I404 HydrophobicContact CG-CD1 4.37Å; I400-I404 HydrophobicContact CG2-CG2 4.43Å; I400-I404 VanDerWaalsContact O-CG1 3.3Å; I400-I404 WeakPolarHBondContact O-CG1 3.41Å; I400-I404 PolarHBondContact O-N 2.85Å; I404-G406 PolarHBondContact O-N 3.29Å; I404-Y407 HydrophobicContact CB-CD1 4.3Å; I404-Y407 HydrophobicContact CB-CD2 3.88Å; I404-Y407 HydrophobicContact CB-CE2 4.34Å; I404-Y407 HydrophobicContact CB-CG 3.87Å; I404-Y407 HydrophobicContact CG2-CD1 4.26Å; I404-Y407 HydrophobicContact CG2-CD2 4.36Å; I404-Y407 HydrophobicContact CG2-CE1 4.33Å; I404-Y407 HydrophobicContact CG2-CE2 4.41Å; I404-Y407 HydrophobicContact CG2-CG 4.3Å; I404-Y407 WeakPolarHBondContact O-CB 3.37Å; I404-Y407 WeakPolarHBondContact O-CD2 3.46Å; I404-Y407 PolarHBondContact O-N 3.01Å; I404-I412 HydrophobicContact CD1-CD1 3.78Å; I404-I412 HydrophobicContact CD1-CG1 3.71Å; I404-I412 HydrophobicContact CD1-CG2 4.32Å; I404-L457 HydrophobicContact CG2-CD2 3.3Å
405E90.3Very high91.2Very high142 Ų14245.7 Ų45.766%0.66424%0.244SC*.THydrogen-bonded Turntrans-61130.7174-171.2177.9-165.200111.6K403 Y407K403-E405 VanDerWaalsContact C-N 3.27Å; K403-E405 PolarHBondContact O-N 2.8Å; E405-Y407 VanDerWaalsContact C-N 3.33Å
406G89.1Confident91.4Very high19 Ų1944.9 Ų44.920%0.19624%0.239CC..THydrogen-bonded Turntrans80.57.4-178.500000115.1I404I404-G406 PolarHBondContact O-N 3.29Å
407Y92.1Very high91.5Very high20 Ų2050.3 Ų50.38%0.07826%0.255CS..  trans-76.7142.7172.3-80.1-124000110.7I404 E405 D411 V415 I460 K462I404-Y407 HydrophobicContact CB-CD1 4.3Å; I404-Y407 HydrophobicContact CB-CD2 3.88Å; I404-Y407 HydrophobicContact CB-CE2 4.34Å; I404-Y407 HydrophobicContact CB-CG 3.87Å; I404-Y407 HydrophobicContact CG2-CD1 4.26Å; I404-Y407 HydrophobicContact CG2-CD2 4.36Å; I404-Y407 HydrophobicContact CG2-CE1 4.33Å; I404-Y407 HydrophobicContact CG2-CE2 4.41Å; I404-Y407 HydrophobicContact CG2-CG 4.3Å; I404-Y407 WeakPolarHBondContact O-CB 3.37Å; I404-Y407 WeakPolarHBondContact O-CD2 3.46Å; I404-Y407 PolarHBondContact O-N 3.01Å; E405-Y407 VanDerWaalsContact C-N 3.33Å; Y407-D411 HydrophobicContact CD1-CB 3.52Å; Y407-D411 HydrophobicContact CE1-CB 4.33Å; Y407-D411 HydrophobicContact CG-CB 4.16Å; Y407-V415 HydrophobicContact CD1-CG2 4.33Å; Y407-V415 HydrophobicContact CE1-CG2 3.96Å; Y407-I460 HydrophobicContact CE1-CG2 4.19Å; Y407-I460 PolarHBondContact OH-O 2.98Å; Y407-K462 HydrophobicContact CD2-CB 4.01Å; Y407-K462 HydrophobicContact CE2-CB 4.06Å
408S92.7Very high91.6Very high1 Ų150.4 Ų50.41%0.00726%0.256CS..  trans-76.8164168.671.80000111P242 A410 D411 I412P242-S408 WeakPolarHBondContact O-CB 3.34Å; S408-A410 PolarHBondContact O-N 3.42Å; S408-D411 WeakPolarHBondContact CB-OD2 3.49Å; S408-D411 PolarHBondContact N-OD2 2.9Å; S408-D411 PolarHBondContact O-N 3.17Å; S408-D411 VanDerWaalsContact O-N 3.08Å; S408-D411 PolarHBondContact OG-N 3.12Å; S408-D411 VanDerWaalsContact OG-N 3.16Å; S408-D411 PolarHBondContact OG-OD2 3.5Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 3.13Å
409G90.6Very high91.5Very high14 Ų1445.8 Ų45.814%0.14423%0.231CC..Hα-helixtrans-56.9-39.4174.300000112.3G243 I412 T413G243-G409 CarbonylContact O-C 3.56Å; G243-G409 VanDerWaalsContact O-CA 3.32Å; G243-G409 WeakPolarHBondContact O-CA 3.38Å; G243-G409 PolarHBondContact O-N 2.94Å; G409-I412 PolarHBondContact O-N 3.35Å; G409-T413 PolarHBondContact O-N 3.36Å; G409-T413 PolarHBondContact O-OG1 3.31Å
410A91.4Very high91.5Very high40 Ų4043.8 Ų43.833%0.33122%0.224SC..Hα-helixtrans-63.6-39.7174.500000112.8G243 S408 I412 T413 N414G243-A410 PolarHBondContact O-N 2.99Å; S408-A410 PolarHBondContact O-N 3.42Å; A410-I412 VanDerWaalsContact C-N 3.33Å; A410-T413 PolarHBondContact O-N 3.48Å; A410-N414 WeakPolarHBondContact O-CB 3.48Å; A410-N414 VanDerWaalsContact O-CG 3.24Å; A410-N414 PolarHBondContact O-N 3.25Å; A410-N414 PolarHBondContact O-ND2 3.09Å
411D93.2Very high91.4Very high17 Ų1747.3 Ų47.39%0.09124%0.241CC..Hα-helixtrans-64.6-40.6176.5-58.7-38.5000110.8Y407 S408 N414 V415 S463Y407-D411 HydrophobicContact CD1-CB 3.52Å; Y407-D411 HydrophobicContact CE1-CB 4.33Å; Y407-D411 HydrophobicContact CG-CB 4.16Å; S408-D411 WeakPolarHBondContact CB-OD2 3.49Å; S408-D411 PolarHBondContact N-OD2 2.9Å; S408-D411 PolarHBondContact O-N 3.17Å; S408-D411 VanDerWaalsContact O-N 3.08Å; S408-D411 PolarHBondContact OG-N 3.12Å; S408-D411 VanDerWaalsContact OG-N 3.16Å; S408-D411 PolarHBondContact OG-OD2 3.5Å; D411-N414 PolarHBondContact O-N 3.41Å; D411-V415 WeakPolarHBondContact O-CG2 3.48Å; D411-V415 PolarHBondContact O-N 3.15Å; D411-S463 PolarHBondContact OD1-OG 2.93Å; D411-S463 WeakPolarHBondContact OD2-CB 3.48Å; D411-S463 PolarHBondContact OD2-N 3.32Å; D411-S463 PolarHBondContact OD2-OG 2.92Å
412I92.6Very high91.2Very high1 Ų148.3 Ų48.31%0.00525%0.245CC..Hα-helixtrans-64.3-44.7177.3-62.7170.3000110.9P373 R378 L381 L382 I404 S408 G409 A410 N414 V415 C416P373-I412 HydrophobicContact CG-CD1 4.08Å; R378-I412 HydrophobicContact CB-CD1 4.33Å; R378-I412 HydrophobicContact CG-CD1 3.82Å; L381-I412 HydrophobicContact CB-CG2 4.34Å; L381-I412 HydrophobicContact CD1-CD1 3.91Å; L382-I412 HydrophobicContact CD2-CG2 3.75Å; L382-I412 HydrophobicContact CG-CG2 4.15Å; I404-I412 HydrophobicContact CD1-CD1 3.78Å; I404-I412 HydrophobicContact CD1-CG1 3.71Å; I404-I412 HydrophobicContact CD1-CG2 4.32Å; S408-I412 WeakPolarHBondContact O-CG1 3.4Å; S408-I412 PolarHBondContact O-N 3.13Å; G409-I412 PolarHBondContact O-N 3.35Å; A410-I412 VanDerWaalsContact C-N 3.33Å; I412-N414 VanDerWaalsContact C-N 3.3Å; I412-N414 PolarHBondContact O-N 3Å; I412-V415 PolarHBondContact O-N 3.24Å; I412-C416 PolarHBondContact O-N 2.86Å; I412-C416 PolarHBondContact O-SG 3.17Å
413T91.5Very high90.9Very high56 Ų5641.8 Ų41.834%0.34422%0.215SC..Hα-helixtrans-60.2-41.1174-63.30000111.3N385 G409 A410 C416 R417N385-T413 WeakPolarHBondContact OD1-CB 3.4Å; N385-T413 WeakPolarHBondContact OD1-CG2 3.38Å; N385-T413 PolarHBondContact OD1-OG1 3.3Å; G409-T413 PolarHBondContact O-N 3.36Å; G409-T413 PolarHBondContact O-OG1 3.31Å; A410-T413 PolarHBondContact O-N 3.48Å; T413-C416 PolarHBondContact O-N 3.01Å; T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.27Å; T413-R417 PolarHBondContact O-N 3.23Å
414N92.9Very high90.6Very high74 Ų7438.8 Ų38.840%0.39620%0.204SC..Hα-helixtrans-65.5-38.2176.3-73.8-28.4000112.4A410 D411 I412 R417 D418 I460A410-N414 WeakPolarHBondContact O-CB 3.48Å; A410-N414 VanDerWaalsContact O-CG 3.24Å; A410-N414 PolarHBondContact O-N 3.25Å; A410-N414 PolarHBondContact O-ND2 3.09Å; D411-N414 PolarHBondContact O-N 3.41Å; I412-N414 VanDerWaalsContact C-N 3.3Å; I412-N414 PolarHBondContact O-N 3Å; N414-R417 PolarHBondContact O-N 3.39Å; N414-D418 PolarHBondContact O-N 2.99Å; N414-I460 HydrophobicContact CB-CD1 4.21Å
415V93Very high90.4Very high1 Ų145.1 Ų45.11%0.00623%0.228CC..Hα-helixtrans-62-47.8172.9169.70000111Y407 D411 I412 R417 D418 A419 F453 T456 L457 I460Y407-V415 HydrophobicContact CD1-CG2 4.33Å; Y407-V415 HydrophobicContact CE1-CG2 3.96Å; D411-V415 WeakPolarHBondContact O-CG2 3.48Å; D411-V415 PolarHBondContact O-N 3.15Å; I412-V415 PolarHBondContact O-N 3.24Å; V415-R417 VanDerWaalsContact C-N 3.3Å; V415-R417 PolarHBondContact O-N 3.42Å; V415-D418 PolarHBondContact O-N 3.05Å; V415-A419 VanDerWaalsContact O-CB 3.3Å; V415-A419 WeakPolarHBondContact O-CB 3.22Å; V415-A419 PolarHBondContact O-N 3.33Å; V415-F453 HydrophobicContact CG1-CD1 4.14Å; V415-F453 HydrophobicContact CG1-CE1 4.46Å; V415-T456 HydrophobicContact CB-CG2 4.24Å; V415-T456 HydrophobicContact CG1-CG2 4Å; V415-T456 HydrophobicContact CG2-CG2 4.34Å; V415-L457 HydrophobicContact CG1-CD2 4.06Å; V415-L457 HydrophobicContact CG2-CD2 4.24Å; V415-I460 HydrophobicContact CB-CD1 4.46Å; V415-I460 HydrophobicContact CG2-CB 4.09Å; V415-I460 HydrophobicContact CG2-CD1 3.9Å; V415-I460 HydrophobicContact CG2-CG2 4Å
416C92.2Very high90.1Very high6 Ų642.7 Ų42.74%0.04121%0.213CC..Hα-helixtrans-61.8-41.1177.9-62.60000111.6N385 L386 I412 T413 S420N385-C416 HydrophobicContact CB-CB 4.01Å; L386-C416 HydrophobicContact CD2-CB 3.99Å; I412-C416 PolarHBondContact O-N 2.86Å; I412-C416 PolarHBondContact O-SG 3.17Å; T413-C416 PolarHBondContact O-N 3.01Å; C416-S420 WeakPolarHBondContact O-CB 3.02Å; C416-S420 PolarHBondContact O-N 3.4Å
417R92Very high89.8Confident179 Ų17946.5 Ų46.568%0.67522%0.221SC*.Hα-helixtrans-65.2-46.6178.5-172.8179.9-175.7-179.93112.3T413 N414 V415 S420 M421T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.27Å; T413-R417 PolarHBondContact O-N 3.23Å; N414-R417 PolarHBondContact O-N 3.39Å; V415-R417 VanDerWaalsContact C-N 3.3Å; V415-R417 PolarHBondContact O-N 3.42Å; R417-S420 PolarHBondContact O-N 3.22Å; R417-M421 WeakPolarHBondContact O-CB 3.29Å; R417-M421 WeakPolarHBondContact O-CG 3.46Å; R417-M421 PolarHBondContact O-N 2.93Å
418D92.3Very high89.5Confident32 Ų3247.6 Ų47.617%0.17123%0.228CC..Hα-helixtrans-69.7-35.8179.1-173.765.9000111.4N414 V415 M421 M422 R425 T456 I460N414-D418 PolarHBondContact O-N 2.99Å; V415-D418 PolarHBondContact O-N 3.05Å; D418-M421 CarbonylContact O-C 3.56Å; D418-M421 PolarHBondContact O-N 2.92Å; D418-M422 WeakPolarHBondContact O-CB 3.43Å; D418-M422 WeakPolarHBondContact O-CG 3.06Å; D418-M422 PolarHBondContact O-N 3.48Å; D418-R425 IonicContact OD1-NH1 2.82Å; D418-R425 PolarHBondContact OD1-NH1 3.35Å; D418-T456 HydrophobicContact CB-CG2 3.7Å; D418-T456 WeakPolarHBondContact OD2-CG2 3.35Å; D418-T456 PolarHBondContact OD2-OG1 3.37Å; D418-I460 HydrophobicContact CB-CD1 4.16Å
419A91Very high89.1Confident0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-62-44.7173.300000112V415 M421 M422 A423 V448 F453V415-A419 VanDerWaalsContact O-CB 3.3Å; V415-A419 WeakPolarHBondContact O-CB 3.22Å; V415-A419 PolarHBondContact O-N 3.33Å; A419-M421 PolarHBondContact O-N 3.29Å; A419-M422 WeakPolarHBondContact O-CB 3.37Å; A419-M422 PolarHBondContact O-N 3Å; A419-A423 PolarHBondContact O-N 3.45Å; A419-V448 HydrophobicContact CB-CG1 3.95Å; A419-F453 HydrophobicContact CB-CD1 3.86Å; A419-F453 HydrophobicContact CB-CE1 3.77Å; A419-F453 HydrophobicContact CB-CE2 4.45Å; A419-F453 HydrophobicContact CB-CG 4.24Å; A419-F453 HydrophobicContact CB-CZ 4.08Å
420S89.4Confident88.6Confident43 Ų4358.4 Ų58.430%0.30130%0.297SS..Hα-helixtrans-60.4-43.7173.1176.60000112.1C416 R417 M422 A423 M424C416-S420 WeakPolarHBondContact O-CB 3.02Å; C416-S420 PolarHBondContact O-N 3.4Å; R417-S420 PolarHBondContact O-N 3.22Å; S420-M422 VanDerWaalsContact C-N 3.3Å; S420-M422 PolarHBondContact O-N 3.42Å; S420-A423 PolarHBondContact O-N 3.43Å; S420-M424 PolarHBondContact O-N 3.07Å
421M88.1Confident88.2Confident74 Ų7459 Ų5937%0.36529%0.294SS..Hα-helixtrans-65.9-30.7175.5-74.9-58.9-42.500113.1R417 D418 A419 M424 R425R417-M421 WeakPolarHBondContact O-CB 3.29Å; R417-M421 WeakPolarHBondContact O-CG 3.46Å; R417-M421 PolarHBondContact O-N 2.93Å; D418-M421 CarbonylContact O-C 3.56Å; D418-M421 PolarHBondContact O-N 2.92Å; A419-M421 PolarHBondContact O-N 3.29Å; M421-M424 HydrophobicContact CE-SD 3.77Å; M421-M424 PolarHBondContact O-N 3.41Å; M421-M424 HydrophobicContact SD-SD 4.24Å; M421-R425 WeakPolarHBondContact O-CB 3.36Å; M421-R425 VanDerWaalsContact O-CG 3.27Å; M421-R425 WeakPolarHBondContact O-CG 3.31Å; M421-R425 PolarHBondContact O-N 3.37Å
422M87.8Confident87.9Confident23 Ų2360.2 Ų60.211%0.11330%0.304CS..Hα-helixtrans-66.9-42.5176.2-80.5-166.851.100111.9D418 A419 S420 M424 R425 R426 D452 T455 T456D418-M422 WeakPolarHBondContact O-CB 3.43Å; D418-M422 WeakPolarHBondContact O-CG 3.06Å; D418-M422 PolarHBondContact O-N 3.48Å; A419-M422 WeakPolarHBondContact O-CB 3.37Å; A419-M422 PolarHBondContact O-N 3Å; S420-M422 VanDerWaalsContact C-N 3.3Å; S420-M422 PolarHBondContact O-N 3.42Å; M422-M424 VanDerWaalsContact C-N 3.32Å; M422-M424 PolarHBondContact O-N 3.37Å; M422-R425 PolarHBondContact O-N 3.42Å; M422-R426 WeakPolarHBondContact O-CG 3.42Å; M422-R426 PolarHBondContact O-N 3.05Å; M422-D452 HydrophobicContact CB-CB 4.16Å; M422-D452 HydrophobicContact CE-CB 4.44Å; M422-T455 HydrophobicContact CE-CG2 3.6Å; M422-T455 HydrophobicContact SD-CG2 3.88Å; M422-T456 PolarHBondContact SD-OG1 2.99Å; M422-T456 VanDerWaalsContact SD-OG1 3.38Å
423A85.6Confident87.5Confident2 Ų264.7 Ų64.72%0.01733%0.334CS..Hα-helixtrans-58-45.9173.100000111.3A419 S420 R425 R426 R427 M446 V448A419-A423 PolarHBondContact O-N 3.45Å; S420-A423 PolarHBondContact O-N 3.43Å; A423-R425 PolarHBondContact O-N 3.17Å; A423-R426 PolarHBondContact O-N 3.27Å; A423-R427 PolarHBondContact O-N 3.32Å; A423-M446 HydrophobicContact CB-CB 4.4Å; A423-V448 HydrophobicContact CB-CG2 4.04Å
424M84.9Confident87.1Confident69 Ų6969.6 Ų69.634%0.3435%0.352SS..Hα-helixtrans-62.3-42.6174.7-174.5-172.2-178.900112.5S420 M421 M422 R426 R427 I428 L444S420-M424 PolarHBondContact O-N 3.07Å; M421-M424 HydrophobicContact CE-SD 3.77Å; M421-M424 PolarHBondContact O-N 3.41Å; M421-M424 HydrophobicContact SD-SD 4.24Å; M422-M424 VanDerWaalsContact C-N 3.32Å; M422-M424 PolarHBondContact O-N 3.37Å; M424-R426 VanDerWaalsContact C-N 3.34Å; M424-R426 PolarHBondContact O-N 3.36Å; M424-R427 WeakPolarHBondContact O-CB 3.42Å; M424-R427 PolarHBondContact O-N 3.32Å; M424-R427 VanDerWaalsContact O-N 3.16Å; M424-I428 HydrophobicContact CE-CD1 3.56Å; M424-I428 HydrophobicContact CG-CD1 3.75Å; M424-I428 HydrophobicContact CG-CG1 4.49Å; M424-I428 WeakPolarHBondContact O-CG1 3.47Å; M424-I428 PolarHBondContact O-N 2.95Å; M424-I428 HydrophobicContact SD-CD1 4.35Å; M424-L444 HydrophobicContact CE-CD2 4.34Å
425R86.5Confident86.5Confident134 Ų13470.8 Ų70.851%0.50636%0.356SS..Hα-helixtrans-61-41.5177.7-79.5172.7179.5153.60.2111.7D418 M421 M422 A423 R427 I428 Q429D418-R425 IonicContact OD1-NH1 2.82Å; D418-R425 PolarHBondContact OD1-NH1 3.35Å; M421-R425 WeakPolarHBondContact O-CB 3.36Å; M421-R425 VanDerWaalsContact O-CG 3.27Å; M421-R425 WeakPolarHBondContact O-CG 3.31Å; M421-R425 PolarHBondContact O-N 3.37Å; M422-R425 PolarHBondContact O-N 3.42Å; A423-R425 PolarHBondContact O-N 3.17Å; R425-R427 VanDerWaalsContact C-N 3.29Å; R425-R427 PolarHBondContact O-N 3.45Å; R425-I428 PolarHBondContact O-N 3.46Å; R425-Q429 VanDerWaalsContact O-CB 3.31Å; R425-Q429 WeakPolarHBondContact O-CB 3.4Å; R425-Q429 PolarHBondContact O-N 3.03Å
426R84Confident86Confident92 Ų9273.1 Ų73.135%0.34737%0.368SS..Hα-helixtrans-61.6-38.6175.2-71.1-169.5-67.41531.9111.6M422 A423 M424 T449 D452M422-R426 WeakPolarHBondContact O-CG 3.42Å; M422-R426 PolarHBondContact O-N 3.05Å; A423-R426 PolarHBondContact O-N 3.27Å; M424-R426 VanDerWaalsContact C-N 3.34Å; M424-R426 PolarHBondContact O-N 3.36Å; R426-T449 PolarHBondContact NH2-OG1 2.67Å; R426-T449 VanDerWaalsContact NH2-OG1 3.08Å; R426-D452 IonicContact CZ-OD1 3.46Å; R426-D452 IonicContact CZ-OD2 3.28Å; R426-D452 IonicContact NE-OD1 3.68Å; R426-D452 PolarHBondContact NE-OD1 3.01Å; R426-D452 IonicContact NE-OD2 2.77Å; R426-D452 IonicContact NH2-OD1 2.66Å; R426-D452 PolarHBondContact NH2-OD1 3.15Å; R426-D452 IonicContact NH2-OD2 2.91Å; R426-D452 PolarHBondContact NH2-OD2 3.4Å
427R82.9Confident85.5Confident98 Ų9883.3 Ų83.337%0.3741%0.405SS..Hα-helixtrans-66.5-41.1177.3-174.454.4175.6145.8-0.4112.7A423 M424 R425 L431 E443 M446A423-R427 PolarHBondContact O-N 3.32Å; M424-R427 WeakPolarHBondContact O-CB 3.42Å; M424-R427 PolarHBondContact O-N 3.32Å; M424-R427 VanDerWaalsContact O-N 3.16Å; R425-R427 VanDerWaalsContact C-N 3.29Å; R425-R427 PolarHBondContact O-N 3.45Å; R427-L431 VanDerWaalsContact O-CD1 3.26Å; R427-L431 WeakPolarHBondContact O-CD1 3.16Å; R427-E443 PolarHBondContact NE-O 2.96Å; R427-M446 HydrophobicContact CB-CG 4.08Å; R427-M446 HydrophobicContact CB-SD 3.69Å; R427-M446 HydrophobicContact CG-CG 4.23Å; R427-M446 HydrophobicContact CG-SD 4.1Å
428I84.9Confident85Confident43 Ų4378.7 Ų78.722%0.22141%0.406CS..Hα-helixtrans-78.3-24.4-177.3-69.1174.3000112.1M424 R425 G430 L431 I436 L444M424-I428 HydrophobicContact CE-CD1 3.56Å; M424-I428 HydrophobicContact CG-CD1 3.75Å; M424-I428 HydrophobicContact CG-CG1 4.49Å; M424-I428 WeakPolarHBondContact O-CG1 3.47Å; M424-I428 PolarHBondContact O-N 2.95Å; M424-I428 HydrophobicContact SD-CD1 4.35Å; R425-I428 PolarHBondContact O-N 3.46Å; I428-G430 PolarHBondContact O-N 2.95Å; I428-G430 VanDerWaalsContact O-N 3.09Å; I428-L431 PolarHBondContact O-N 3.27Å; I428-I436 HydrophobicContact CD1-CG2 4.37Å; I428-I436 HydrophobicContact CG2-CD1 3.48Å; I428-I436 VanDerWaalsContact CG2-CD1 3.48Å; I428-I436 HydrophobicContact CG2-CG1 3.9Å; I428-L444 HydrophobicContact CD1-CD2 4.1Å; I428-L444 HydrophobicContact CG1-CD2 4.06Å
429Q84.1Confident84.4Confident159 Ų15978.7 Ų78.774%0.74341%0.406SS*.THydrogen-bonded Turntrans-61.4114.5-178.3-171.1172.73.900111R425R425-Q429 VanDerWaalsContact O-CB 3.31Å; R425-Q429 WeakPolarHBondContact O-CB 3.4Å; R425-Q429 PolarHBondContact O-N 3.03Å
430G80Confident83.8Confident83 Ų8381.2 Ų81.286%0.85642%0.423SS*.THydrogen-bonded Turntrans98.3-1.9-179.800000115.2I428I428-G430 PolarHBondContact O-N 2.95Å; I428-G430 VanDerWaalsContact O-N 3.09Å
431L84.3Confident83Confident52 Ų5287.6 Ų87.627%0.27245%0.445SS..  trans-92.9147.3173.1-68.8164.9000111.6R427 I428 E435 I436 L439R427-L431 VanDerWaalsContact O-CD1 3.26Å; R427-L431 WeakPolarHBondContact O-CD1 3.16Å; I428-L431 PolarHBondContact O-N 3.27Å; L431-E435 HydrophobicContact CB-CB 4.31Å; L431-E435 HydrophobicContact CD2-CB 3.96Å; L431-I436 HydrophobicContact CB-CD1 4.4Å; L431-I436 HydrophobicContact CB-CG1 3.82Å; L431-L439 HydrophobicContact CD1-CD1 3.75Å
432S85.5Confident82.2Confident44 Ų4490.5 Ų90.531%0.30846%0.463SS..  trans-75.1158.2172.1680000111.7E434 E435 I436S432-E434 PolarHBondContact O-N 3.31Å; S432-E434 VanDerWaalsContact O-N 3.13Å; S432-E435 VanDerWaalsContact CB-OE2 3.26Å; S432-E435 WeakPolarHBondContact CB-OE2 3.32Å; S432-E435 PolarHBondContact N-OE2 3.47Å; S432-E435 PolarHBondContact O-N 3.01Å; S432-E435 VanDerWaalsContact O-N 3.13Å; S432-E435 VanDerWaalsContact OG-CD 3.24Å; S432-E435 VanDerWaalsContact OG-CG 3.26Å; S432-E435 WeakPolarHBondContact OG-CG 3.26Å; S432-E435 PolarHBondContact OG-N 3.48Å; S432-E435 PolarHBondContact OG-OE2 3.24Å; S432-I436 VanDerWaalsContact O-CG1 3.27Å; S432-I436 WeakPolarHBondContact O-CG1 3.45Å; S432-I436 PolarHBondContact O-N 2.7Å
433P84.2Confident81.4Confident95 Ų9594.4 Ų94.462%0.61748%0.48SS*.Hα-helixtrans-56.9-27.9177.5-26.535.6000114.7R437P433-R437 WeakPolarHBondContact O-CG 3.44Å; P433-R437 PolarHBondContact O-N 3.06Å
434E83.5Confident80.6Confident158 Ų15895.9 Ų95.974%0.73849%0.488SS*.Hα-helixtrans-76.5-40.9177.9-63.4-175.1170.400111.4S432 R437 A438S432-E434 PolarHBondContact O-N 3.31Å; S432-E434 VanDerWaalsContact O-N 3.13Å; E434-R437 PolarHBondContact O-N 2.92Å; E434-A438 PolarHBondContact O-N 3.4Å; E434-A438 VanDerWaalsContact O-N 3.13Å
435E81Confident80Confident99 Ų9997 Ų9746%0.46349%0.492SS..Hα-helixtrans-66-39.8174.8-68.4164.4133.800111.5L431 S432 R437 A438 L439L431-E435 HydrophobicContact CB-CB 4.31Å; L431-E435 HydrophobicContact CD2-CB 3.96Å; S432-E435 VanDerWaalsContact CB-OE2 3.26Å; S432-E435 WeakPolarHBondContact CB-OE2 3.32Å; S432-E435 PolarHBondContact N-OE2 3.47Å; S432-E435 PolarHBondContact O-N 3.01Å; S432-E435 VanDerWaalsContact O-N 3.13Å; S432-E435 VanDerWaalsContact OG-CD 3.24Å; S432-E435 VanDerWaalsContact OG-CG 3.26Å; S432-E435 WeakPolarHBondContact OG-CG 3.26Å; S432-E435 PolarHBondContact OG-N 3.48Å; S432-E435 PolarHBondContact OG-OE2 3.24Å; E435-R437 VanDerWaalsContact C-N 3.26Å; E435-R437 PolarHBondContact O-N 2.97Å; E435-A438 PolarHBondContact O-N 3.47Å; E435-A438 VanDerWaalsContact O-N 3.08Å; E435-L439 PolarHBondContact O-N 2.99Å; E435-L439 VanDerWaalsContact O-N 3.14Å
436I81.6Confident79.6Confident51 Ų5194.2 Ų94.226%0.26249%0.486SS..Hα-helixtrans-61-37176.6-63.7161.3000111.3I428 L431 S432 A438I428-I436 HydrophobicContact CD1-CG2 4.37Å; I428-I436 HydrophobicContact CG2-CD1 3.48Å; I428-I436 VanDerWaalsContact CG2-CD1 3.48Å; I428-I436 HydrophobicContact CG2-CG1 3.9Å; L431-I436 HydrophobicContact CB-CD1 4.4Å; L431-I436 HydrophobicContact CB-CG1 3.82Å; S432-I436 VanDerWaalsContact O-CG1 3.27Å; S432-I436 WeakPolarHBondContact O-CG1 3.45Å; S432-I436 PolarHBondContact O-N 2.7Å; I436-A438 VanDerWaalsContact C-N 3.34Å
437R82.6Confident79.7Confident219 Ų21992.3 Ų92.383%0.82649%0.485SS*.Hα-helixtrans-74.3-25.4176.7-73.6177.1-175.6177.83.3113.1P433 E434 E435P433-R437 WeakPolarHBondContact O-CG 3.44Å; P433-R437 PolarHBondContact O-N 3.06Å; E434-R437 PolarHBondContact O-N 2.92Å; E435-R437 VanDerWaalsContact C-N 3.26Å; E435-R437 PolarHBondContact O-N 2.97Å
438A82.1Confident80Confident83 Ų8387.7 Ų87.769%0.68647%0.468SS*.Hα-helixtrans-82.3-18.5179.300000113E434 E435 I436E434-A438 PolarHBondContact O-N 3.4Å; E434-A438 VanDerWaalsContact O-N 3.13Å; E435-A438 PolarHBondContact O-N 3.47Å; E435-A438 VanDerWaalsContact O-N 3.08Å; I436-A438 VanDerWaalsContact C-N 3.34Å
439L78.8Confident80.3Confident32 Ų3286.9 Ų86.917%0.16847%0.465CS..SBendtrans-65.2136.4176.9-73.4173.5000111.9L431 E435 E443 L444L431-L439 HydrophobicContact CD1-CD1 3.75Å; E435-L439 PolarHBondContact O-N 2.99Å; E435-L439 VanDerWaalsContact O-N 3.14Å; L439-E443 HydrophobicContact CD2-CB 4.23Å; L439-L444 HydrophobicContact CB-CD1 4.17Å; L439-L444 HydrophobicContact CB-CD2 4.35Å; L439-L444 HydrophobicContact CB-CG 3.97Å; L439-L444 HydrophobicContact CD1-CD2 3.76Å; L439-L444 HydrophobicContact CD1-CG 4.19Å
440S78.3Confident80.6Confident53 Ų5381 Ų8137%0.37144%0.438SS..  trans-73.5157.117163.60000111.3D442 E443 L444S440-D442 PolarHBondContact O-N 3.25Å; S440-E443 PolarHBondContact N-OE2 3.48Å; S440-E443 VanDerWaalsContact N-OE2 3.16Å; S440-E443 PolarHBondContact O-N 2.94Å; S440-E443 WeakPolarHBondContact OG-CB 3.34Å; S440-E443 WeakPolarHBondContact OG-CG 3.48Å; S440-E443 PolarHBondContact OG-N 3.4Å; S440-E443 PolarHBondContact OG-OE2 3.26Å; S440-L444 PolarHBondContact O-N 3.15Å
441K73.5Confident81Confident177 Ų17783.3 Ų83.377%0.7743%0.427SS*.Hα-helixtrans-56.9-38.7178.1-77.8-174.2175.7-1770112.2L444 Q445K441-L444 PolarHBondContact O-N 3.39Å; K441-Q445 PolarHBondContact O-N 3.48Å
442D70.9Confident81.3Confident135 Ų13581 Ų8172%0.72241%0.414SS*.Hα-helixtrans-71.9-33.2-178.6-59.4-16000111.6S440 L444 Q445S440-D442 PolarHBondContact O-N 3.25Å; D442-L444 VanDerWaalsContact C-N 3.31Å; D442-L444 PolarHBondContact O-N 3.37Å; D442-Q445 PolarHBondContact O-N 3.26Å
443E69.6Low81.6Confident104 Ų10478.9 Ų78.949%0.48640%0.4SS..Hα-helixtrans-76.1-17.4176.3-73.3170.114200114.2R427 L439 S440R427-E443 PolarHBondContact NE-O 2.96Å; L439-E443 HydrophobicContact CD2-CB 4.23Å; S440-E443 PolarHBondContact N-OE2 3.48Å; S440-E443 VanDerWaalsContact N-OE2 3.16Å; S440-E443 PolarHBondContact O-N 2.94Å; S440-E443 WeakPolarHBondContact OG-CB 3.34Å; S440-E443 WeakPolarHBondContact OG-CG 3.48Å; S440-E443 PolarHBondContact OG-N 3.4Å; S440-E443 PolarHBondContact OG-OE2 3.26Å
444L70.2Confident81.9Confident34 Ų3476.4 Ų76.418%0.17838%0.383CS..Hα-helixtrans-81.2-21.5173.2-78.3158.1000112M424 I428 L439 S440 K441 D442 M446M424-L444 HydrophobicContact CE-CD2 4.34Å; I428-L444 HydrophobicContact CD1-CD2 4.1Å; I428-L444 HydrophobicContact CG1-CD2 4.06Å; L439-L444 HydrophobicContact CB-CD1 4.17Å; L439-L444 HydrophobicContact CB-CD2 4.35Å; L439-L444 HydrophobicContact CB-CG 3.97Å; L439-L444 HydrophobicContact CD1-CD2 3.76Å; L439-L444 HydrophobicContact CD1-CG 4.19Å; S440-L444 PolarHBondContact O-N 3.15Å; K441-L444 PolarHBondContact O-N 3.39Å; D442-L444 VanDerWaalsContact C-N 3.31Å; D442-L444 PolarHBondContact O-N 3.37Å; L444-M446 PolarHBondContact O-N 3.01Å; L444-M446 VanDerWaalsContact O-N 3.09Å
445Q70.8Confident82.2Confident93 Ų9371 Ų7144%0.43536%0.361SS..  trans-87.876.6-174.7-151.2146.81.800109.7E388 K441 D442E388-Q445 PolarHBondContact O-NE2 3.17Å; K441-Q445 PolarHBondContact O-N 3.48Å; D442-Q445 PolarHBondContact O-N 3.26Å
446M78.8Confident82.7Confident75 Ų7566.2 Ų66.237%0.36934%0.339SS..PPolyproline II helixtrans-73.9147.2170.1-75.3-166.669.200110.9A423 R427 L444 V448A423-M446 HydrophobicContact CB-CB 4.4Å; R427-M446 HydrophobicContact CB-CG 4.08Å; R427-M446 HydrophobicContact CB-SD 3.69Å; R427-M446 HydrophobicContact CG-CG 4.23Å; R427-M446 HydrophobicContact CG-SD 4.1Å; L444-M446 PolarHBondContact O-N 3.01Å; L444-M446 VanDerWaalsContact O-N 3.09Å; M446-V448 PolarHBondContact O-N 3.49Å
447P86.8Confident83.1Confident51 Ų5165.2 Ų65.233%0.33133%0.333SS..PPolyproline II helixtrans-65.7136.117628-34.7000110.4E390 A392E390-P447 HydrophobicContact CB-CB 4.39Å; E390-P447 CarbonylContact O-C 3.59Å; E390-P447 VanDerWaalsContact O-CA 3.29Å; E390-P447 WeakPolarHBondContact O-CA 3.38Å; A392-P447 HydrophobicContact CB-CB 4.24Å
448V89.2Confident83.5Confident1 Ų163.3 Ų63.31%0.00633%0.331CS..BIsolated β-bridgetrans-74129.1177.3-178.30000109V389 E390 L391 A392 V395 A419 A423 M446 D452 F453V389-V448 HydrophobicContact CG1-CB 4.42Å; V389-V448 HydrophobicContact CG1-CG2 3.44Å; V389-V448 VanDerWaalsContact CG1-CG2 3.44Å; E390-V448 PolarHBondContact O-N 2.56Å; L391-V448 HydrophobicContact CD2-CB 4.29Å; A392-V448 WeakPolarHBondContact CB-O 3.4Å; A392-V448 PolarHBondContact N-O 3.03Å; V395-V448 WeakPolarHBondContact CG2-O 3.35Å; A419-V448 HydrophobicContact CB-CG1 3.95Å; A423-V448 HydrophobicContact CB-CG2 4.04Å; M446-V448 PolarHBondContact O-N 3.49Å; V448-D452 HydrophobicContact CG1-CB 4.04Å; V448-F453 HydrophobicContact CB-CE2 4.41Å; V448-F453 HydrophobicContact CG1-CD2 3.93Å; V448-F453 HydrophobicContact CG1-CE2 3.48Å; V448-F453 VanDerWaalsContact CG1-CE2 3.48Å; V448-F453 HydrophobicContact CG1-CZ 4.11Å
449T90.7Very high83.8Confident27 Ų2765.3 Ų65.317%0.16632%0.324CS..PPolyproline II helixtrans-99.9163.9-178.961.10000111.8A392 R426 E451 D452A392-T449 HydrophobicContact CB-CG2 4.06Å; R426-T449 PolarHBondContact NH2-OG1 2.67Å; R426-T449 VanDerWaalsContact NH2-OG1 3.08Å; T449-E451 PolarHBondContact O-N 2.98Å; T449-D452 PolarHBondContact N-OD2 3.05Å; T449-D452 WeakPolarHBondContact O-CB 3.35Å; T449-D452 PolarHBondContact O-N 3.03Å; T449-D452 VanDerWaalsContact O-N 3.15Å; T449-D452 PolarHBondContact OG1-OD2 2.95Å
450M89.6Confident84.3Confident34 Ų3465.5 Ų65.517%0.16733%0.325CS..Hα-helixtrans-62.1-30.9177.9-17260.6177.800112.1D394 I400 D452 F453 T454D394-M450 WeakPolarHBondContact OD2-CB 3.31Å; D394-M450 PolarHBondContact OD2-N 3.27Å; I400-M450 HydrophobicContact CD1-CE 4.45Å; I400-M450 HydrophobicContact CD1-SD 3.9Å; I400-M450 HydrophobicContact CG1-CE 3.82Å; I400-M450 HydrophobicContact CG1-SD 3.95Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 PolarHBondContact O-N 3.33Å; M450-F453 PolarHBondContact O-N 3.12Å; M450-T454 WeakPolarHBondContact O-CG2 3.34Å; M450-T454 PolarHBondContact O-N 2.94Å
451E89.9Confident84.8Confident132 Ų13267.4 Ų67.462%0.61734%0.339SS*.Hα-helixtrans-61.2-39.4175.9-171.1178.1-173.200112.5T449 F453 T454 T455T449-E451 PolarHBondContact O-N 2.98Å; E451-F453 PolarHBondContact O-N 3.5Å; E451-T454 WeakPolarHBondContact CA-OG1 3.29Å; E451-T454 PolarHBondContact O-N 3.2Å; E451-T454 PolarHBondContact O-OG1 2.86Å; E451-T455 PolarHBondContact O-N 3.49Å; E451-T455 PolarHBondContact O-OG1 3.49Å
452D90.8Very high85.7Confident3 Ų364.4 Ų64.42%0.01633%0.326CS..Hα-helixtrans-60.9-48.3177.1-65.8-36.8000110.1M422 R426 V448 T449 M450 T454 T455 T456M422-D452 HydrophobicContact CB-CB 4.16Å; M422-D452 HydrophobicContact CE-CB 4.44Å; R426-D452 IonicContact CZ-OD1 3.46Å; R426-D452 IonicContact CZ-OD2 3.28Å; R426-D452 IonicContact NE-OD1 3.68Å; R426-D452 PolarHBondContact NE-OD1 3.01Å; R426-D452 IonicContact NE-OD2 2.77Å; R426-D452 IonicContact NH2-OD1 2.66Å; R426-D452 PolarHBondContact NH2-OD1 3.15Å; R426-D452 IonicContact NH2-OD2 2.91Å; R426-D452 PolarHBondContact NH2-OD2 3.4Å; V448-D452 HydrophobicContact CG1-CB 4.04Å; T449-D452 PolarHBondContact N-OD2 3.05Å; T449-D452 WeakPolarHBondContact O-CB 3.35Å; T449-D452 PolarHBondContact O-N 3.03Å; T449-D452 VanDerWaalsContact O-N 3.15Å; T449-D452 PolarHBondContact OG1-OD2 2.95Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 PolarHBondContact O-N 3.33Å; D452-T454 PolarHBondContact O-N 3.06Å; D452-T455 PolarHBondContact O-N 2.92Å; D452-T455 VanDerWaalsContact O-N 3.14Å; D452-T456 PolarHBondContact O-N 3.45Å; D452-T456 PolarHBondContact O-OG1 3.4Å
453F90.3Very high86.4Confident0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-58.4-45.5175.3-78.2-75000112.2L386 L391 V395 I400 V415 A419 V448 M450 E451 T455 T456 L457L386-F453 HydrophobicContact CD1-CZ 3.91Å; L386-F453 HydrophobicContact CD2-CZ 4.04Å; L391-F453 HydrophobicContact CD2-CE2 4.23Å; L391-F453 HydrophobicContact CD2-CZ 4.47Å; V395-F453 HydrophobicContact CG1-CD2 4.27Å; V395-F453 HydrophobicContact CG1-CE2 3.97Å; V395-F453 HydrophobicContact CG2-CE2 4.43Å; I400-F453 HydrophobicContact CD1-CB 4.15Å; I400-F453 HydrophobicContact CD1-CD1 4.02Å; I400-F453 HydrophobicContact CD1-CD2 3.88Å; I400-F453 HydrophobicContact CD1-CE1 4.39Å; I400-F453 HydrophobicContact CD1-CE2 4.25Å; I400-F453 HydrophobicContact CD1-CG 3.75Å; I400-F453 HydrophobicContact CD1-CZ 4.5Å; V415-F453 HydrophobicContact CG1-CD1 4.14Å; V415-F453 HydrophobicContact CG1-CE1 4.46Å; A419-F453 HydrophobicContact CB-CD1 3.86Å; A419-F453 HydrophobicContact CB-CE1 3.77Å; A419-F453 HydrophobicContact CB-CE2 4.45Å; A419-F453 HydrophobicContact CB-CG 4.24Å; A419-F453 HydrophobicContact CB-CZ 4.08Å; V448-F453 HydrophobicContact CB-CE2 4.41Å; V448-F453 HydrophobicContact CG1-CD2 3.93Å; V448-F453 HydrophobicContact CG1-CE2 3.48Å; V448-F453 VanDerWaalsContact CG1-CE2 3.48Å; V448-F453 HydrophobicContact CG1-CZ 4.11Å; M450-F453 PolarHBondContact O-N 3.12Å; E451-F453 PolarHBondContact O-N 3.5Å; F453-T455 PolarHBondContact O-N 3.02Å; F453-T456 PolarHBondContact O-N 2.68Å; F453-L457 WeakPolarHBondContact O-CB 3.47Å; F453-L457 WeakPolarHBondContact O-CG 3.33Å; F453-L457 PolarHBondContact O-N 3.03Å
454T90.6Very high87.3Confident44 Ų4456.7 Ų56.727%0.2729%0.293SS..Hα-helixtrans-63.6-30.617963.30000113.2M450 E451 D452 K458M450-T454 WeakPolarHBondContact O-CG2 3.34Å; M450-T454 PolarHBondContact O-N 2.94Å; E451-T454 WeakPolarHBondContact CA-OG1 3.29Å; E451-T454 PolarHBondContact O-N 3.2Å; E451-T454 PolarHBondContact O-OG1 2.86Å; D452-T454 PolarHBondContact O-N 3.06Å; T454-K458 WeakPolarHBondContact O-CG 3.46Å
455T90.5Very high88.3Confident43 Ų4357.3 Ų57.326%0.26430%0.3SS..Hα-helixtrans-77.1-41.3177.3-57.10000111.1M422 E451 D452 F453 K458M422-T455 HydrophobicContact CE-CG2 3.6Å; M422-T455 HydrophobicContact SD-CG2 3.88Å; E451-T455 PolarHBondContact O-N 3.49Å; E451-T455 PolarHBondContact O-OG1 3.49Å; D452-T455 PolarHBondContact O-N 2.92Å; D452-T455 VanDerWaalsContact O-N 3.14Å; F453-T455 PolarHBondContact O-N 3.02Å; T455-K458 PolarHBondContact O-N 3.31Å
456T91.3Very high89.1Confident0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-64.9-41.4175.7-66.80000112V415 D418 M422 D452 F453 K458 K459 I460V415-T456 HydrophobicContact CB-CG2 4.24Å; V415-T456 HydrophobicContact CG1-CG2 4Å; V415-T456 HydrophobicContact CG2-CG2 4.34Å; D418-T456 HydrophobicContact CB-CG2 3.7Å; D418-T456 WeakPolarHBondContact OD2-CG2 3.35Å; D418-T456 PolarHBondContact OD2-OG1 3.37Å; M422-T456 PolarHBondContact SD-OG1 2.99Å; M422-T456 VanDerWaalsContact SD-OG1 3.38Å; D452-T456 PolarHBondContact O-N 3.45Å; D452-T456 PolarHBondContact O-OG1 3.4Å; F453-T456 PolarHBondContact O-N 2.68Å; T456-K458 PolarHBondContact O-N 3.36Å; T456-K459 WeakPolarHBondContact O-CB 3.47Å; T456-K459 PolarHBondContact O-N 3.07Å; T456-I460 HydrophobicContact CG2-CD1 3.64Å; T456-I460 HydrophobicContact CG2-CG1 4.21Å; T456-I460 PolarHBondContact O-N 3.19Å
457L90.2Very high89.7Confident29 Ų2954.8 Ų54.815%0.15231%0.307CS..Hα-helixtrans-62.8-21.9176.8-71.6174.2000113.7K403 I404 V415 F453K403-L457 HydrophobicContact CB-CD1 4.32Å; K403-L457 HydrophobicContact CD-CD1 4.42Å; I404-L457 HydrophobicContact CG2-CD2 3.3Å; V415-L457 HydrophobicContact CG1-CD2 4.06Å; V415-L457 HydrophobicContact CG2-CD2 4.24Å; F453-L457 WeakPolarHBondContact O-CB 3.47Å; F453-L457 WeakPolarHBondContact O-CG 3.33Å; F453-L457 PolarHBondContact O-N 3.03Å
458K90.1Very high89.7Confident179 Ų17954.7 Ų54.778%0.77830%0.304SS*.Hα-helixtrans-79.2-23.9172.2-70.7171.8-177.1173.70112.6T454 T455 T456T454-K458 WeakPolarHBondContact O-CG 3.46Å; T455-K458 PolarHBondContact O-N 3.31Å; T456-K458 PolarHBondContact O-N 3.36Å
459K89.8Confident89.7Confident125 Ų12556.7 Ų56.754%0.54332%0.315SS..Hα-helixtrans-91.2-41.8-177.4-67.2175-177.4168.90112.1T456T456-K459 WeakPolarHBondContact O-CB 3.47Å; T456-K459 PolarHBondContact O-N 3.07Å
460I89.4Confident89.7Confident36 Ų3661.8 Ų61.819%0.18534%0.336CS..  trans-93130.2-178.9-57.7178.6000107.7Y407 N414 V415 D418 T456Y407-I460 HydrophobicContact CE1-CG2 4.19Å; Y407-I460 PolarHBondContact OH-O 2.98Å; N414-I460 HydrophobicContact CB-CD1 4.21Å; V415-I460 HydrophobicContact CB-CD1 4.46Å; V415-I460 HydrophobicContact CG2-CB 4.09Å; V415-I460 HydrophobicContact CG2-CD1 3.9Å; V415-I460 HydrophobicContact CG2-CG2 4Å; D418-I460 HydrophobicContact CB-CD1 4.16Å; T456-I460 HydrophobicContact CG2-CD1 3.64Å; T456-I460 HydrophobicContact CG2-CG1 4.21Å; T456-I460 PolarHBondContact O-N 3.19Å
461S88.6Confident89.8Confident94 Ų9465 Ų6566%0.65735%0.35SS*.  trans-114.5159.9175.356.30000109.6
462K91.3Very high89.8Confident114 Ų11459.1 Ų59.150%0.49632%0.322SS..  trans-61.4136.2177.560.6-175.9179.3-176.50111.1Y407Y407-K462 HydrophobicContact CD2-CB 4.01Å; Y407-K462 HydrophobicContact CE2-CB 4.06Å
463S87Confident89.8Confident65 Ų6565 Ų6546%0.45535%0.349SS..SBendtrans-78-19178.856.90000114D411D411-S463 PolarHBondContact OD1-OG 2.93Å; D411-S463 WeakPolarHBondContact OD2-CB 3.48Å; D411-S463 PolarHBondContact OD2-N 3.32Å; D411-S463 PolarHBondContact OD2-OG 2.92Å
464V88.6Confident89.8Confident11 Ų1168.9 Ų68.97%0.06738%0.376CS..  trans-116.4131.9-173.2-1730000110.8P241 L372 D468 L469P241-V464 HydrophobicContact CB-CG1 4.16Å; P241-V464 HydrophobicContact CB-CG2 3.62Å; L372-V464 HydrophobicContact CD1-CB 4.42Å; L372-V464 HydrophobicContact CD1-CG1 4.47Å; L372-V464 HydrophobicContact CD2-CG2 4.36Å; V464-D468 HydrophobicContact CG1-CB 4.25Å; V464-L469 HydrophobicContact CG1-CD2 3.97Å; V464-L469 HydrophobicContact CG1-CG 4.16Å
465S89.9Confident89.8Confident47 Ų4767.8 Ų67.833%0.32937%0.367SS..  trans-89156.4174.981.70000111.8A467 D468 L469S465-A467 VanDerWaalsContact C-N 3.25Å; S465-A467 PolarHBondContact O-N 3.43Å; S465-D468 WeakPolarHBondContact CB-OD2 3.46Å; S465-D468 PolarHBondContact O-N 3.48Å; S465-D468 VanDerWaalsContact O-N 3.13Å; S465-D468 PolarHBondContact OG-N 2.96Å; S465-D468 PolarHBondContact OG-OD2 3.33Å; S465-L469 PolarHBondContact O-N 3.2Å
466A88.4Confident89.7Confident64 Ų6467.5 Ų67.553%0.52936%0.363SS..Hα-helixtrans-62.1-35.1175.700000112.1D468 L469 E470A466-D468 PolarHBondContact O-N 3.07Å; A466-L469 WeakPolarHBondContact O-CB 3.27Å; A466-L469 PolarHBondContact O-N 3.18Å; A466-L469 VanDerWaalsContact O-N 3.14Å; A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.15Å
467A90Very high89.5Confident52 Ų5271.9 Ų71.943%0.4340%0.399SS..Hα-helixtrans-63.9-29.817600000112.6S465 K471S465-A467 VanDerWaalsContact C-N 3.25Å; S465-A467 PolarHBondContact O-N 3.43Å; A467-K471 WeakPolarHBondContact O-CG 3.34Å; A467-K471 PolarHBondContact O-N 3.5Å
468D88.3Confident89.4Confident48 Ų4877 Ų7726%0.25742%0.423SS..Hα-helixtrans-73.9-34.6175.5-60.6-45.2000111.5V464 S465 A466 K471 Y472V464-D468 HydrophobicContact CG1-CB 4.25Å; S465-D468 WeakPolarHBondContact CB-OD2 3.46Å; S465-D468 PolarHBondContact O-N 3.48Å; S465-D468 VanDerWaalsContact O-N 3.13Å; S465-D468 PolarHBondContact OG-N 2.96Å; S465-D468 PolarHBondContact OG-OD2 3.33Å; A466-D468 PolarHBondContact O-N 3.07Å; D468-K471 WeakPolarHBondContact O-CB 3.43Å; D468-K471 PolarHBondContact O-N 3.16Å; D468-K471 IonicContact OD1-NZ 3.74Å; D468-K471 PolarHBondContact OD1-NZ 3.13Å; D468-Y472 HydrophobicContact CB-CE2 4.47Å; D468-Y472 WeakPolarHBondContact O-CD2 3.47Å; D468-Y472 PolarHBondContact O-N 3.41Å
469L88.9Confident89.2Confident44 Ų4471.2 Ų71.223%0.2340%0.398CS..Hα-helixtrans-62.1-44.6173.7-62.8176.8000111.8P241 L372 V464 S465 A466 K471 Y472 E473P241-L469 HydrophobicContact CG-CD2 4.45Å; L372-L469 HydrophobicContact CD1-CD1 3.94Å; L372-L469 HydrophobicContact CD1-CD2 3.87Å; L372-L469 HydrophobicContact CD1-CG 4.43Å; L372-L469 HydrophobicContact CG-CD2 4.19Å; V464-L469 HydrophobicContact CG1-CD2 3.97Å; V464-L469 HydrophobicContact CG1-CG 4.16Å; S465-L469 PolarHBondContact O-N 3.2Å; A466-L469 WeakPolarHBondContact O-CB 3.27Å; A466-L469 PolarHBondContact O-N 3.18Å; A466-L469 VanDerWaalsContact O-N 3.14Å; L469-K471 VanDerWaalsContact C-N 3.25Å; L469-K471 PolarHBondContact O-N 3.44Å; L469-Y472 PolarHBondContact O-N 3.47Å; L469-E473 PolarHBondContact O-N 2.97Å
470E90.9Very high88.5Confident133 Ų13366.3 Ų66.362%0.62138%0.382SS*.Hα-helixtrans-58.3-37175.7-70178.5-178.500112.4A466 E473 S474A466-E470 PolarHBondContact O-N 3.42Å; A466-E470 VanDerWaalsContact O-N 3.15Å; E470-E473 PolarHBondContact O-N 2.81Å; E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.44Å; E470-S474 PolarHBondContact O-N 3.29Å
471K91.3Very high87.3Confident103 Ų10366 Ų6645%0.44838%0.383SS..Hα-helixtrans-64-42.3175-67.8171-166157.60111.8W354 A467 D468 L469 W475W354-K471 HydrophobicContact CH2-CB 4.37Å; W354-K471 HydrophobicContact CH2-CD 4.25Å; W354-K471 HydrophobicContact CZ3-CB 3.94Å; A467-K471 WeakPolarHBondContact O-CG 3.34Å; A467-K471 PolarHBondContact O-N 3.5Å; D468-K471 WeakPolarHBondContact O-CB 3.43Å; D468-K471 PolarHBondContact O-N 3.16Å; D468-K471 IonicContact OD1-NZ 3.74Å; D468-K471 PolarHBondContact OD1-NZ 3.13Å; L469-K471 VanDerWaalsContact C-N 3.25Å; L469-K471 PolarHBondContact O-N 3.44Å; K471-W475 WeakPolarHBondContact O-CB 3.31Å; K471-W475 PolarHBondContact O-N 3.44Å
472Y90.3Very high85.4Confident8 Ų870 Ų703%0.03140%0.404CS..Hα-helixtrans-65.5-43.5177-68.8-71.1000111.4P241 N351 P353 W354 Y369 D468 L469 W475 M476P241-Y472 HydrophobicContact CB-CE2 4.26Å; N351-Y472 VanDerWaalsContact O-CE1 3.27Å; N351-Y472 WeakPolarHBondContact O-CE1 3.42Å; N351-Y472 PolarHBondContact O-OH 3.42Å; P353-Y472 HydrophobicContact CG-CD1 4.09Å; P353-Y472 HydrophobicContact CG-CE1 4.18Å; W354-Y472 HydrophobicContact CH2-CE1 4.35Å; W354-Y472 HydrophobicContact CZ3-CD1 4.2Å; W354-Y472 HydrophobicContact CZ3-CE1 4.04Å; Y369-Y472 HydrophobicContact CE2-CD1 4.49Å; Y369-Y472 HydrophobicContact CE2-CG 4.11Å; D468-Y472 HydrophobicContact CB-CE2 4.47Å; D468-Y472 WeakPolarHBondContact O-CD2 3.47Å; D468-Y472 PolarHBondContact O-N 3.41Å; L469-Y472 PolarHBondContact O-N 3.47Å; Y472-W475 PolarHBondContact O-N 3.4Å; Y472-M476 VanDerWaalsContact O-CB 3.3Å; Y472-M476 WeakPolarHBondContact O-CB 3.33Å; Y472-M476 VanDerWaalsContact O-CG 3.27Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 2.94Å
473E89.5Confident85.1Confident125 Ų12567.8 Ų67.858%0.58440%0.399SS*.Hα-helixtrans-61.8-45.8178-72.3-178.5179.700111.8L469 E470 W475 M476 A477L469-E473 PolarHBondContact O-N 2.97Å; E470-E473 PolarHBondContact O-N 2.81Å; E473-W475 PolarHBondContact O-N 2.97Å; E473-M476 PolarHBondContact O-N 3.33Å; E473-A477 WeakPolarHBondContact O-CB 3.5Å; E473-A477 PolarHBondContact O-N 3.04Å
474S91.5Very high85Confident82 Ų8267.9 Ų67.957%0.57340%0.396SS*.Hα-helixtrans-59.7-46.2176.1-179.20000111.9E470 M476 A477 E478E470-S474 VanDerWaalsContact O-CB 3.32Å; E470-S474 WeakPolarHBondContact O-CB 3.44Å; E470-S474 PolarHBondContact O-N 3.29Å; S474-M476 PolarHBondContact O-N 2.89Å; S474-A477 PolarHBondContact O-N 3.48Å; S474-E478 PolarHBondContact O-N 2.98Å
475W90.4Very high84.8Confident21 Ų2171.1 Ų71.18%0.0841%0.414CS..Hα-helixtrans-65.3-39177.5-17293.2000112.4L237 V239 P353 R367 K471 Y472 E473 E478 F479L237-W475 HydrophobicContact CD2-CH2 4.43Å; V239-W475 HydrophobicContact CB-CZ3 4.5Å; V239-W475 HydrophobicContact CG1-CH2 4.14Å; V239-W475 HydrophobicContact CG1-CZ3 3.94Å; V239-W475 HydrophobicContact CG2-CZ3 4.09Å; P353-W475 HydrophobicContact CB-CD2 3.79Å; P353-W475 HydrophobicContact CB-CE3 3.93Å; P353-W475 HydrophobicContact CB-CG 4.48Å; P353-W475 HydrophobicContact CB-CH2 3.82Å; P353-W475 HydrophobicContact CB-CZ2 3.67Å; P353-W475 HydrophobicContact CB-CZ3 3.95Å; P353-W475 HydrophobicContact CG-CD2 3.95Å; P353-W475 HydrophobicContact CG-CE3 4.11Å; P353-W475 HydrophobicContact CG-CG 4.26Å; P353-W475 PolarHBondContact O-NE1 3.36Å; R367-W475 HydrophobicContact CG-CH2 4.39Å; K471-W475 WeakPolarHBondContact O-CB 3.31Å; K471-W475 PolarHBondContact O-N 3.44Å; Y472-W475 PolarHBondContact O-N 3.4Å; E473-W475 PolarHBondContact O-N 2.97Å; W475-E478 PolarHBondContact O-N 3.45Å; W475-F479 AromaticContact CD1-CD2 3.75Å; W475-F479 HydrophobicContact CD2-CB 4.34Å; W475-F479 HydrophobicContact CD2-CD2 4.09Å; W475-F479 AromaticContact CE2-CD2 3.71Å; W475-F479 HydrophobicContact CE3-CB 4.43Å; W475-F479 HydrophobicContact CG-CD2 4.11Å; W475-F479 HydrophobicContact CH2-CB 4.11Å; W475-F479 HydrophobicContact CZ2-CB 3.99Å; W475-F479 HydrophobicContact CZ2-CD2 4.28Å; W475-F479 HydrophobicContact CZ2-CG 4.4Å; W475-F479 HydrophobicContact CZ3-CB 4.32Å; W475-F479 AromaticContact NE1-CD2 3.52Å; W475-F479 PolarHBondContact O-N 3.11Å
476M87.6Confident84.6Confident37 Ų3772.5 Ų72.518%0.18242%0.419CS..Hα-helixtrans-69.8-32.1176.7-76.8-59-59.600112.5V239 Y369 Y472 E473 S474 E478 G480V239-M476 HydrophobicContact CG2-CG 4.39Å; V239-M476 HydrophobicContact CG2-SD 3.48Å; V239-M476 WeakPolarHBondContact CG2-SD 3.41Å; Y369-M476 HydrophobicContact CD2-CG 4.13Å; Y369-M476 HydrophobicContact CG-CG 4.11Å; Y472-M476 VanDerWaalsContact O-CB 3.3Å; Y472-M476 WeakPolarHBondContact O-CB 3.33Å; Y472-M476 VanDerWaalsContact O-CG 3.27Å; Y472-M476 WeakPolarHBondContact O-CG 3.43Å; Y472-M476 PolarHBondContact O-N 2.94Å; E473-M476 PolarHBondContact O-N 3.33Å; S474-M476 PolarHBondContact O-N 2.89Å; M476-E478 VanDerWaalsContact C-N 3.28Å; M476-E478 PolarHBondContact O-N 3.12Å; M476-G480 WeakPolarHBondContact O-CA 3.47Å; M476-G480 PolarHBondContact O-N 2.91Å
477A88.3Confident84.3Confident92 Ų9273.1 Ų73.176%0.7641%0.413SS*.Hα-helixtrans-65.4-34.3173.400000111.8E473 S474E473-A477 WeakPolarHBondContact O-CB 3.5Å; E473-A477 PolarHBondContact O-N 3.04Å; S474-A477 PolarHBondContact O-N 3.48Å
478E88.4Confident83.9Confident138 Ų13874.5 Ų74.565%0.64541%0.411SS*.Hα-helixtrans-83.9-41.9-179.8-167.3-179.4173.200113.1S474 W475 M476S474-E478 PolarHBondContact O-N 2.98Å; W475-E478 PolarHBondContact O-N 3.45Å; M476-E478 VanDerWaalsContact C-N 3.28Å; M476-E478 PolarHBondContact O-N 3.12Å
479F84.3Confident83.6Confident56 Ų5676.4 Ų76.425%0.24642%0.423CS..Hα-helixtrans-121.3-5.2-169.5-59-63.8000114.8R367 W475R367-F479 WeakPolarHBondContact CD-O 3.44Å; R367-F479 PolarHBondContact NH1-O 3.38Å; W475-F479 AromaticContact CD1-CD2 3.75Å; W475-F479 HydrophobicContact CD2-CB 4.34Å; W475-F479 HydrophobicContact CD2-CD2 4.09Å; W475-F479 AromaticContact CE2-CD2 3.71Å; W475-F479 HydrophobicContact CE3-CB 4.43Å; W475-F479 HydrophobicContact CG-CD2 4.11Å; W475-F479 HydrophobicContact CH2-CB 4.11Å; W475-F479 HydrophobicContact CZ2-CB 3.99Å; W475-F479 HydrophobicContact CZ2-CD2 4.28Å; W475-F479 HydrophobicContact CZ2-CG 4.4Å; W475-F479 HydrophobicContact CZ3-CB 4.32Å; W475-F479 AromaticContact NE1-CD2 3.52Å; W475-F479 PolarHBondContact O-N 3.11Å
480G75Confident83.2Confident22 Ų2278.8 Ų78.823%0.22744%0.437CS..  trans-65.1134.918000000112.1M476 V482M476-G480 WeakPolarHBondContact O-CA 3.47Å; M476-G480 PolarHBondContact O-N 2.91Å; G480-V482 PolarHBondContact O-N 3.29Å
481S65.8Low82.6Confident29 Ų2974.3 Ų74.320%0.20342%0.422CS..  trans-92.987.6167.747.90000108.2K366 R367K366-S481 PolarHBondContact NZ-O 3.05Å; R367-S481 PolarHBondContact N-OG 3.37Å; R367-S481 PolarHBondContact O-OG 3Å
482V48.6Very low81.8Confident179 Ų17971.7 Ų71.7100%1.08542%0.42SS*.  trans-50.60170.2-174.10000109.1K366 G480K366-V482 PolarHBondContact NZ-OXT 3.39Å; G480-V482 PolarHBondContact O-N 3.29Å

Retrieved 482 of 482 residues in 77.5 ms (Link to these results)

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