A0A077Z0E2_TRITR Loading...

26S proteasome non-ATPase regulatory subunit 13

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A077Z0E2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 395 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
1M63.2Low79.9Confident114 Ų11463.6 Ų63.656%0.56230%0.303SS*.  0141.10-167168.5-91.300107.2Q5 Y6 E9M1-Q5 HydrophobicContact CG-CB 3.71Å; M1-Y6 VanDerWaalsContact SD-CA 3.56Å; M1-Y6 HydrophobicContact SD-CD2 3.75Å; M1-Y6 HydrophobicContact SD-CG 4.22Å; M1-E9 WeakPolarHBondContact CE-OE2 3.35Å
2S78.4Confident80Confident42 Ų4274.8 Ų74.829%0.29434%0.34SS..  trans-69.9152.4169.970.60000109.3E4 Q5 Y6S2-E4 PolarHBondContact O-N 3Å; S2-Q5 PolarHBondContact O-N 3.4Å; S2-Q5 WeakPolarHBondContact OG-CB 3.38Å; S2-Q5 WeakPolarHBondContact OG-CG 3.29Å; S2-Q5 PolarHBondContact OG-N 3.42Å; S2-Y6 PolarHBondContact O-N 2.79Å
3P79.5Confident80Confident12 Ų1274.2 Ų74.28%0.07836%0.356CS..Hα-helixtrans-57.7-36.4178.219.1-29.9000111.9Y6 I7 Y30 F64 H67P3-Y6 PolarHBondContact O-N 3.04Å; P3-I7 WeakPolarHBondContact O-CG1 3.45Å; P3-I7 PolarHBondContact O-N 2.93Å; P3-Y30 HydrophobicContact CG-CE1 4.08Å; P3-Y30 WeakPolarHBondContact CG-OH 3.43Å; P3-F64 HydrophobicContact CB-CD2 3.94Å; P3-F64 HydrophobicContact CB-CE2 4.47Å; P3-H67 HydrophobicContact CG-CB 4.39Å
4E80.1Confident79.7Confident88 Ų8869.9 Ų69.941%0.41134%0.34SS..Hα-helixtrans-64.1-46.7176.7-64.8165.9-175.400112.1S2 Y6 I7 E8 H31S2-E4 PolarHBondContact O-N 3Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.44Å; E4-I7 PolarHBondContact O-N 2.92Å; E4-E8 PolarHBondContact O-N 2.89Å; E4-H31 IonicContact OE1-CE1 2.67Å; E4-H31 PolarHBondContact OE1-CE1 2.94Å; E4-H31 IonicContact OE1-ND1 3.39Å
5Q82.6Confident79.2Confident121 Ų12170.6 Ų70.657%0.56537%0.372SS*.Hα-helixtrans-60.6-40.5176.4-76.6169.8-8.400111.7M1 S2 E8 E9M1-Q5 HydrophobicContact CG-CB 3.71Å; S2-Q5 PolarHBondContact O-N 3.4Å; S2-Q5 WeakPolarHBondContact OG-CB 3.38Å; S2-Q5 WeakPolarHBondContact OG-CG 3.29Å; S2-Q5 PolarHBondContact OG-N 3.42Å; Q5-E8 PolarHBondContact O-N 3.12Å; Q5-E9 WeakPolarHBondContact O-CB 3.44Å; Q5-E9 PolarHBondContact O-N 3.4Å
6Y83.8Confident79.4Confident14 Ų1469.2 Ų69.26%0.05537%0.365CS..Hα-helixtrans-64.9-46.2178-177.7-114000111.4M1 S2 P3 E4 E8 E9 R10 W23 F60 N63 F64M1-Y6 VanDerWaalsContact SD-CA 3.56Å; M1-Y6 HydrophobicContact SD-CD2 3.75Å; M1-Y6 HydrophobicContact SD-CG 4.22Å; S2-Y6 PolarHBondContact O-N 2.79Å; P3-Y6 PolarHBondContact O-N 3.04Å; E4-Y6 VanDerWaalsContact C-N 3.29Å; E4-Y6 PolarHBondContact O-N 3.44Å; Y6-E8 VanDerWaalsContact C-N 3.33Å; Y6-E8 PolarHBondContact O-N 3.32Å; Y6-E9 PolarHBondContact O-N 2.84Å; Y6-R10 HydrophobicContact CD2-CG 4.26Å; Y6-R10 HydrophobicContact CE1-CG 4.23Å; Y6-R10 HydrophobicContact CE2-CG 3.93Å; Y6-R10 VanDerWaalsContact O-CG 3.29Å; Y6-R10 WeakPolarHBondContact O-CG 3.48Å; Y6-R10 PolarHBondContact O-N 3.41Å; Y6-W23 HydrophobicContact CD1-CH2 4.21Å; Y6-W23 AromaticContact CE1-CH2 3.8Å; Y6-W23 HydrophobicContact CE1-CH2 3.8Å; Y6-F60 PolarHBondContact OH-N 2.93Å; Y6-N63 HydrophobicContact CD1-CB 3.65Å; Y6-N63 HydrophobicContact CD2-CB 3.68Å; Y6-N63 HydrophobicContact CE1-CB 3.85Å; Y6-N63 HydrophobicContact CE2-CB 3.9Å; Y6-N63 HydrophobicContact CG-CB 3.56Å; Y6-F64 HydrophobicContact CD1-CB 4.2Å; Y6-F64 HydrophobicContact CE1-CB 4.38Å
7I82.4Confident79.7Confident0 Ų069.8 Ų69.80%038%0.382CS..Hα-helixtrans-60.1-44.9177.3-64.7163.2000110.8P3 E4 R10 K11 W23 E27 F64P3-I7 WeakPolarHBondContact O-CG1 3.45Å; P3-I7 PolarHBondContact O-N 2.93Å; E4-I7 PolarHBondContact O-N 2.92Å; I7-R10 PolarHBondContact O-N 3.12Å; I7-K11 HydrophobicContact CG2-CD 4.06Å; I7-K11 HydrophobicContact CG2-CG 4.22Å; I7-K11 WeakPolarHBondContact O-CB 3.3Å; I7-K11 WeakPolarHBondContact O-CG 3.48Å; I7-K11 PolarHBondContact O-N 3.4Å; I7-W23 HydrophobicContact CB-CE3 4.28Å; I7-W23 HydrophobicContact CB-CZ3 4.49Å; I7-W23 HydrophobicContact CG1-CE3 3.86Å; I7-W23 HydrophobicContact CG1-CZ3 3.76Å; I7-W23 HydrophobicContact CG2-CB 4.25Å; I7-W23 HydrophobicContact CG2-CE3 3.94Å; I7-E27 HydrophobicContact CD1-CB 4.13Å; I7-E27 HydrophobicContact CD1-CG 4.26Å; I7-E27 HydrophobicContact CG2-CB 4.14Å; I7-E27 HydrophobicContact CG2-CG 4.49Å; I7-F64 HydrophobicContact CD1-CD2 4.04Å; I7-F64 HydrophobicContact CD1-CE2 3.61Å; I7-F64 HydrophobicContact CD1-CZ 4.31Å; I7-F64 HydrophobicContact CG1-CD2 4.25Å; I7-F64 HydrophobicContact CG1-CE2 4.25Å
8E82.5Confident80Confident93 Ų9371.6 Ų71.644%0.43538%0.383SS..Hα-helixtrans-67.6-38.2-177.7-170.2160.5174.100112.6E4 Q5 Y6 K11 R12E4-E8 PolarHBondContact O-N 2.89Å; Q5-E8 PolarHBondContact O-N 3.12Å; Y6-E8 VanDerWaalsContact C-N 3.33Å; Y6-E8 PolarHBondContact O-N 3.32Å; E8-K11 PolarHBondContact O-N 3.19Å; E8-R12 WeakPolarHBondContact O-CG 3.42Å; E8-R12 PolarHBondContact O-N 3.02Å; E8-R12 VanDerWaalsContact O-N 3.13Å; E8-R12 IonicContact OE1-CZ 3.64Å; E8-R12 IonicContact OE1-NE 3.76Å; E8-R12 IonicContact OE1-NH2 2.76Å; E8-R12 PolarHBondContact OE1-NH2 2.95Å
9E84Confident80.2Confident107 Ų10767.8 Ų67.850%0.536%0.363SS..Hα-helixtrans-61.6-44.8172.3-173.7177.1176.700111.5M1 Q5 Y6 R12 A13M1-E9 WeakPolarHBondContact CE-OE2 3.35Å; Q5-E9 WeakPolarHBondContact O-CB 3.44Å; Q5-E9 PolarHBondContact O-N 3.4Å; Y6-E9 PolarHBondContact O-N 2.84Å; E9-R12 PolarHBondContact O-N 3.16Å; E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 3.13Å
10R82.4Confident80.5Confident62 Ų6266.9 Ų66.923%0.23436%0.359CS..Hα-helixtrans-69.4-35.4178.9-63.1-50-63.8-177.8-2.1112.8Y6 I7 R12 A13 A14 W23 Q54 E55Y6-R10 HydrophobicContact CD2-CG 4.26Å; Y6-R10 HydrophobicContact CE1-CG 4.23Å; Y6-R10 HydrophobicContact CE2-CG 3.93Å; Y6-R10 VanDerWaalsContact O-CG 3.29Å; Y6-R10 WeakPolarHBondContact O-CG 3.48Å; Y6-R10 PolarHBondContact O-N 3.41Å; I7-R10 PolarHBondContact O-N 3.12Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3Å; R10-A13 PolarHBondContact O-N 2.93Å; R10-A14 VanDerWaalsContact O-CB 3.25Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.44Å; R10-W23 HydrophobicContact CB-CD2 4.47Å; R10-W23 HydrophobicContact CB-CZ2 3.83Å; R10-W23 HydrophobicContact CG-CH2 4.45Å; R10-W23 HydrophobicContact CG-CZ2 3.97Å; R10-Q54 PolarHBondContact NH2-O 2.79Å; R10-E55 IonicContact CZ-OE1 3.26Å; R10-E55 VanDerWaalsContact CZ-OE1 3.26Å; R10-E55 IonicContact CZ-OE2 3.12Å; R10-E55 IonicContact NE-OE1 2.93Å; R10-E55 PolarHBondContact NE-OE1 3.29Å; R10-E55 IonicContact NE-OE2 2.72Å; R10-E55 PolarHBondContact NE-OE2 3.25Å; R10-E55 IonicContact NH2-OE1 2.73Å; R10-E55 PolarHBondContact NH2-OE1 3.12Å; R10-E55 IonicContact NH2-OE2 2.94Å; R10-E55 PolarHBondContact NH2-OE2 2.83Å
11K80.5Confident80.9Confident47 Ų4769.3 Ų69.320%0.20437%0.369CS..Hα-helixtrans-60.4-39.5171.4-79.2178.8173.7-173.70112.6I7 E8 W23 A24 E27I7-K11 HydrophobicContact CG2-CD 4.06Å; I7-K11 HydrophobicContact CG2-CG 4.22Å; I7-K11 WeakPolarHBondContact O-CB 3.3Å; I7-K11 WeakPolarHBondContact O-CG 3.48Å; I7-K11 PolarHBondContact O-N 3.4Å; E8-K11 PolarHBondContact O-N 3.19Å; K11-W23 HydrophobicContact CD-CB 4.42Å; K11-W23 HydrophobicContact CG-CB 3.66Å; K11-W23 HydrophobicContact CG-CG 4.37Å; K11-A24 VanDerWaalsContact CE-N 3.31Å; K11-E27 IonicContact NZ-OE2 2.53Å; K11-E27 PolarHBondContact NZ-OE2 3.16Å
12R80.4Confident82Confident198 Ų19864.8 Ų64.875%0.74735%0.346SS*.Hα-helixtrans-72.8-33.4176.9-68.8178.2-169-178.25.7112.5E8 E9 R10E8-R12 WeakPolarHBondContact O-CG 3.42Å; E8-R12 PolarHBondContact O-N 3.02Å; E8-R12 VanDerWaalsContact O-N 3.13Å; E8-R12 IonicContact OE1-CZ 3.64Å; E8-R12 IonicContact OE1-NE 3.76Å; E8-R12 IonicContact OE1-NH2 2.76Å; E8-R12 PolarHBondContact OE1-NH2 2.95Å; E9-R12 PolarHBondContact O-N 3.16Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3Å
13A80.1Confident82.5Confident66 Ų6662.8 Ų62.855%0.54533%0.332SS..Hα-helixtrans-79.8-22.5177.600000113.6E9 R10 G15E9-A13 WeakPolarHBondContact O-CB 3.42Å; E9-A13 PolarHBondContact O-N 3.13Å; R10-A13 PolarHBondContact O-N 2.93Å; A13-G15 PolarHBondContact O-N 3.41Å
14A75.3Confident82.8Confident15 Ų1563.9 Ų63.912%0.12434%0.342CS..  trans-70.5114.4-179.400000111R10 I19 V20R10-A14 VanDerWaalsContact O-CB 3.25Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.44Å; A14-I19 HydrophobicContact CB-CB 4.37Å; A14-I19 HydrophobicContact CB-CG2 4.02Å; A14-V20 HydrophobicContact CB-CG2 3.7Å
15G73Confident83.3Confident80 Ų8063 Ų6383%0.82534%0.341SS*.  trans-81-14.717600000114.5A13A13-G15 PolarHBondContact O-N 3.41Å
16D81.4Confident83.5Confident48 Ų4857.2 Ų57.226%0.25731%0.314SS..SBendtrans-101.9124.5-178.6-171.3-17.3000110.6Y18 I19 V20 K50D16-Y18 PolarHBondContact O-N 2.87Å; D16-Y18 PolarHBondContact OD1-N 3.41Å; D16-I19 HydrophobicContact CB-CB 4.46Å; D16-I19 HydrophobicContact CB-CG1 4.07Å; D16-I19 PolarHBondContact O-N 2.85Å; D16-V20 PolarHBondContact O-N 3.37Å; D16-V20 VanDerWaalsContact O-N 3.16Å; D16-K50 IonicContact OD2-NZ 3.49Å
17A84.5Confident83.7Confident79 Ų7958.5 Ų58.565%0.65332%0.32SS*.Hα-helixtrans-56.2-34.6179.700000112.8I19 V20 E21A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 2.97Å; A17-V20 PolarHBondContact O-N 3.34Å; A17-E21 PolarHBondContact O-N 2.88Å
18Y86.3Confident84Confident102 Ų10262.2 Ų62.240%0.434%0.34SS..Hα-helixtrans-66-36.7178.1169.4-99000112.3D16 E21 L22 D48 K50D16-Y18 PolarHBondContact O-N 2.87Å; D16-Y18 PolarHBondContact OD1-N 3.41Å; Y18-E21 PolarHBondContact O-N 3.35Å; Y18-L22 WeakPolarHBondContact O-CB 3.27Å; Y18-L22 PolarHBondContact O-N 3.28Å; Y18-D48 WeakPolarHBondContact CE1-OD2 3.44Å; Y18-D48 PolarHBondContact OH-OD2 2.88Å; Y18-K50 HydrophobicContact CD1-CD 4.32Å
19I84.2Confident84.3Confident0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-73.8-37178.5-59.6-61.5000110.6A14 D16 A17 L22 W23 K50 F51A14-I19 HydrophobicContact CB-CB 4.37Å; A14-I19 HydrophobicContact CB-CG2 4.02Å; D16-I19 HydrophobicContact CB-CB 4.46Å; D16-I19 HydrophobicContact CB-CG1 4.07Å; D16-I19 PolarHBondContact O-N 2.85Å; A17-I19 VanDerWaalsContact C-N 3.34Å; A17-I19 PolarHBondContact O-N 2.97Å; I19-L22 PolarHBondContact O-N 2.93Å; I19-W23 VanDerWaalsContact O-CD1 3.22Å; I19-W23 PolarHBondContact O-N 3.3Å; I19-K50 HydrophobicContact CD1-CB 4.17Å; I19-F51 HydrophobicContact CD1-CB 3.96Å; I19-F51 HydrophobicContact CD1-CD2 4.15Å; I19-F51 HydrophobicContact CG2-CD2 4.34Å
20V85.3Confident84.5Confident49 Ų4956.2 Ų56.230%0.29731%0.311SS..Hα-helixtrans-60.9-44.8173178.30000111.1A14 D16 A17 W23 A24A14-V20 HydrophobicContact CB-CG2 3.7Å; D16-V20 PolarHBondContact O-N 3.37Å; D16-V20 VanDerWaalsContact O-N 3.16Å; A17-V20 PolarHBondContact O-N 3.34Å; V20-W23 PolarHBondContact O-N 2.84Å; V20-A24 WeakPolarHBondContact O-CB 3.38Å; V20-A24 PolarHBondContact O-N 3.41Å
21E88.1Confident84.8Confident119 Ų11958 Ų5856%0.55632%0.321SS*.Hα-helixtrans-63-42.2176-171.9-177.6173.300111.6A17 Y18 W23 A24 N25A17-E21 PolarHBondContact O-N 2.88Å; Y18-E21 PolarHBondContact O-N 3.35Å; E21-W23 PolarHBondContact O-N 3.41Å; E21-A24 PolarHBondContact O-N 3.17Å; E21-A24 VanDerWaalsContact O-N 3.16Å; E21-N25 WeakPolarHBondContact O-CB 3.49Å; E21-N25 VanDerWaalsContact O-CG 3.29Å; E21-N25 PolarHBondContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.3Å
22L87.2Confident85.2Confident18 Ų1863.5 Ų63.59%0.09434%0.341CS..Hα-helixtrans-60.3-44.6177.1-170.767.5000111.8Y18 I19 N25 M26 T41 A45 F51Y18-L22 WeakPolarHBondContact O-CB 3.27Å; Y18-L22 PolarHBondContact O-N 3.28Å; I19-L22 PolarHBondContact O-N 2.93Å; L22-N25 PolarHBondContact O-N 2.86Å; L22-M26 HydrophobicContact CD1-CE 4.44Å; L22-M26 HydrophobicContact CD2-CE 4.36Å; L22-M26 HydrophobicContact CG-CE 4.04Å; L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 2.9Å; L22-T41 HydrophobicContact CD1-CG2 3.83Å; L22-A45 HydrophobicContact CD2-CB 3.69Å; L22-A45 HydrophobicContact CG-CB 4.44Å; L22-F51 HydrophobicContact CD2-CD2 3.7Å; L22-F51 HydrophobicContact CD2-CE2 4.22Å; L22-F51 HydrophobicContact CD2-CG 4.36Å
23W88Confident85.6Confident0 Ų061 Ų610%034%0.335CS..Hα-helixtrans-64.1-38.6173.6-82.4120.5000112.7Y6 I7 R10 K11 I19 V20 E21 M26 E27 F51 E55 F60 F64Y6-W23 HydrophobicContact CD1-CH2 4.21Å; Y6-W23 AromaticContact CE1-CH2 3.8Å; Y6-W23 HydrophobicContact CE1-CH2 3.8Å; I7-W23 HydrophobicContact CB-CE3 4.28Å; I7-W23 HydrophobicContact CB-CZ3 4.49Å; I7-W23 HydrophobicContact CG1-CE3 3.86Å; I7-W23 HydrophobicContact CG1-CZ3 3.76Å; I7-W23 HydrophobicContact CG2-CB 4.25Å; I7-W23 HydrophobicContact CG2-CE3 3.94Å; R10-W23 HydrophobicContact CB-CD2 4.47Å; R10-W23 HydrophobicContact CB-CZ2 3.83Å; R10-W23 HydrophobicContact CG-CH2 4.45Å; R10-W23 HydrophobicContact CG-CZ2 3.97Å; K11-W23 HydrophobicContact CD-CB 4.42Å; K11-W23 HydrophobicContact CG-CB 3.66Å; K11-W23 HydrophobicContact CG-CG 4.37Å; I19-W23 VanDerWaalsContact O-CD1 3.22Å; I19-W23 PolarHBondContact O-N 3.3Å; V20-W23 PolarHBondContact O-N 2.84Å; E21-W23 PolarHBondContact O-N 3.41Å; W23-M26 HydrophobicContact CE3-SD 4.27Å; W23-M26 HydrophobicContact CZ3-SD 4.42Å; W23-M26 PolarHBondContact O-N 3.34Å; W23-E27 WeakPolarHBondContact O-CB 3.42Å; W23-E27 PolarHBondContact O-N 2.66Å; W23-F51 AromaticContact CE2-CE2 3.92Å; W23-F51 HydrophobicContact CZ2-CE2 4.05Å; W23-F51 HydrophobicContact CZ2-CZ 4.02Å; W23-F51 AromaticContact NE1-CE2 3.93Å; W23-E55 HydrophobicContact CZ2-CG 4.35Å; W23-E55 PolarHBondContact NE1-OE1 3.21Å; W23-F60 AromaticContact CH2-CD2 3.46Å; W23-F60 HydrophobicContact CH2-CD2 3.46Å; W23-F60 VanDerWaalsContact CH2-CD2 3.46Å; W23-F60 AromaticContact CH2-CE2 3.52Å; W23-F60 HydrophobicContact CH2-CE2 3.52Å; W23-F60 HydrophobicContact CZ2-CD2 4.08Å; W23-F60 HydrophobicContact CZ2-CE2 4.24Å; W23-F60 HydrophobicContact CZ3-CD2 4.19Å; W23-F60 AromaticContact CZ3-CE2 3.81Å; W23-F60 HydrophobicContact CZ3-CE2 3.81Å; W23-F64 HydrophobicContact CZ3-CD1 4.44Å
24A87.2Confident86Confident35 Ų3560.3 Ų60.329%0.28932%0.322SS..Hα-helixtrans-64.9-41.3176.700000112.4K11 V20 E21 E27 D28K11-A24 VanDerWaalsContact CE-N 3.31Å; V20-A24 WeakPolarHBondContact O-CB 3.38Å; V20-A24 PolarHBondContact O-N 3.41Å; E21-A24 PolarHBondContact O-N 3.17Å; E21-A24 VanDerWaalsContact O-N 3.16Å; A24-E27 PolarHBondContact O-N 2.95Å; A24-D28 PolarHBondContact O-N 3.48Å
25N89.6Confident86.6Confident70 Ų7062.9 Ų62.937%0.37433%0.329SS..Hα-helixtrans-63.7-41.1174-70.4-27.7000111.6E21 L22 M29E21-N25 WeakPolarHBondContact O-CB 3.49Å; E21-N25 VanDerWaalsContact O-CG 3.29Å; E21-N25 PolarHBondContact O-N 3.1Å; E21-N25 PolarHBondContact O-ND2 3.3Å; L22-N25 PolarHBondContact O-N 2.86Å; N25-M29 WeakPolarHBondContact O-CB 3.47Å; N25-M29 WeakPolarHBondContact O-CG 3.32Å; N25-M29 PolarHBondContact O-N 2.88Å
26M88Confident87.3Confident0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-64.2-39.9175.2-71.9-172.3-16600112.6L22 W23 Y30 L38 T41 V42 A45 F60 F64L22-M26 HydrophobicContact CD1-CE 4.44Å; L22-M26 HydrophobicContact CD2-CE 4.36Å; L22-M26 HydrophobicContact CG-CE 4.04Å; L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 2.9Å; W23-M26 HydrophobicContact CE3-SD 4.27Å; W23-M26 HydrophobicContact CZ3-SD 4.42Å; W23-M26 PolarHBondContact O-N 3.34Å; M26-Y30 VanDerWaalsContact O-CB 3.23Å; M26-Y30 WeakPolarHBondContact O-CB 3.32Å; M26-Y30 PolarHBondContact O-N 3.42Å; M26-L38 HydrophobicContact CB-CD1 3.99Å; M26-L38 HydrophobicContact CG-CD1 4.06Å; M26-T41 HydrophobicContact CE-CG2 4.1Å; M26-T41 HydrophobicContact CG-CG2 3.92Å; M26-V42 HydrophobicContact CE-CG2 4.3Å; M26-V42 HydrophobicContact SD-CG2 4.19Å; M26-A45 HydrophobicContact CE-CB 3.3Å; M26-F60 HydrophobicContact CE-CZ 4.19Å; M26-F60 HydrophobicContact SD-CE2 4.12Å; M26-F60 HydrophobicContact SD-CZ 4.04Å; M26-F64 HydrophobicContact CB-CE1 4.34Å; M26-F64 HydrophobicContact CB-CZ 4.19Å; M26-F64 HydrophobicContact SD-CE1 3.91Å
27E87.3Confident87.6Confident40 Ų4067.5 Ų67.519%0.18733%0.327CS..Hα-helixtrans-64.8-48176.9-169.3177.1-145.900112I7 K11 W23 A24 M29 Y30 H31I7-E27 HydrophobicContact CD1-CB 4.13Å; I7-E27 HydrophobicContact CD1-CG 4.26Å; I7-E27 HydrophobicContact CG2-CB 4.14Å; I7-E27 HydrophobicContact CG2-CG 4.49Å; K11-E27 IonicContact NZ-OE2 2.53Å; K11-E27 PolarHBondContact NZ-OE2 3.16Å; W23-E27 WeakPolarHBondContact O-CB 3.42Å; W23-E27 PolarHBondContact O-N 2.66Å; A24-E27 PolarHBondContact O-N 2.95Å; E27-M29 PolarHBondContact O-N 2.88Å; E27-Y30 PolarHBondContact O-N 3.27Å; E27-H31 PolarHBondContact O-CD2 2.83Å; E27-H31 VanDerWaalsContact O-CD2 3.25Å; E27-H31 PolarHBondContact O-N 2.74Å
28D89.3Confident87.9Confident78 Ų7863.8 Ų63.842%0.41730%0.296SS..Hα-helixtrans-58.9-48.2176.5-177.563.2000111A24 Y30 H31 R32A24-D28 PolarHBondContact O-N 3.48Å; D28-Y30 VanDerWaalsContact C-N 3.29Å; D28-Y30 PolarHBondContact O-N 2.89Å; D28-H31 PolarHBondContact O-N 3.38Å; D28-R32 VanDerWaalsContact O-CB 3.31Å; D28-R32 WeakPolarHBondContact O-CB 3.4Å; D28-R32 VanDerWaalsContact O-CG 3.27Å; D28-R32 WeakPolarHBondContact O-CG 3.38Å; D28-R32 PolarHBondContact O-N 3.44Å; D28-R32 VanDerWaalsContact OD1-CD 3.31Å; D28-R32 WeakPolarHBondContact OD1-CD 3.39Å; D28-R32 WeakPolarHBondContact OD2-CD 3.44Å; D28-R32 IonicContact OD2-NH1 3.55Å; D28-R32 PolarHBondContact OD2-NH1 3.04Å
29M88.8Confident88Confident30 Ų3059.1 Ų59.115%0.14828%0.279CS..Hα-helixtrans-62.1-35.9177.6-71175.3-178.700112.3N25 E27 K33 L34 E37 L38 T41N25-M29 WeakPolarHBondContact O-CB 3.47Å; N25-M29 WeakPolarHBondContact O-CG 3.32Å; N25-M29 PolarHBondContact O-N 2.88Å; E27-M29 PolarHBondContact O-N 2.88Å; M29-K33 PolarHBondContact O-N 3.47Å; M29-L34 HydrophobicContact CB-CB 4.32Å; M29-L34 HydrophobicContact CG-CB 4.48Å; M29-L34 PolarHBondContact O-N 2.92Å; M29-E37 HydrophobicContact CE-CB 4.06Å; M29-E37 HydrophobicContact SD-CB 3.92Å; M29-L38 HydrophobicContact CB-CB 4.11Å; M29-L38 HydrophobicContact CB-CD1 4.2Å; M29-T41 PolarHBondContact SD-OG1 2.78Å
30Y87.7Confident88.2Confident45 Ų4562.2 Ų62.218%0.17629%0.294CS..Hα-helixtrans-67.3-48.4176.2-179.3-98.1000111.6P3 M26 E27 D28 R32 K33 W35 L38 F64 F68P3-Y30 HydrophobicContact CG-CE1 4.08Å; P3-Y30 WeakPolarHBondContact CG-OH 3.43Å; M26-Y30 VanDerWaalsContact O-CB 3.23Å; M26-Y30 WeakPolarHBondContact O-CB 3.32Å; M26-Y30 PolarHBondContact O-N 3.42Å; E27-Y30 PolarHBondContact O-N 3.27Å; D28-Y30 VanDerWaalsContact C-N 3.29Å; D28-Y30 PolarHBondContact O-N 2.89Å; Y30-R32 PolarHBondContact O-N 2.93Å; Y30-K33 PolarHBondContact O-N 3.07Å; Y30-K33 VanDerWaalsContact O-N 3.08Å; Y30-W35 HydrophobicContact CD2-CH2 4.23Å; Y30-W35 AromaticContact CD2-CZ3 3.91Å; Y30-W35 HydrophobicContact CD2-CZ3 3.91Å; Y30-W35 HydrophobicContact CE2-CH2 4.16Å; Y30-W35 HydrophobicContact CE2-CZ3 4.11Å; Y30-L38 HydrophobicContact CD2-CD2 4.21Å; Y30-F64 HydrophobicContact CD2-CE2 4.15Å; Y30-F64 HydrophobicContact CG-CE2 4.33Å; Y30-F68 HydrophobicContact CD2-CD1 4.08Å; Y30-F68 HydrophobicContact CD2-CE1 4.39Å; Y30-F68 AromaticContact CE2-CD1 3.89Å; Y30-F68 HydrophobicContact CE2-CD1 3.89Å
31H88.2Confident88.4Confident98 Ų9860.7 Ų60.745%0.45428%0.284SS..Hα-helixtrans-62.8-41.5176.8-75.6-56.9000112.6E4 E27 D28 K33E4-H31 IonicContact OE1-CE1 2.67Å; E4-H31 PolarHBondContact OE1-CE1 2.94Å; E4-H31 IonicContact OE1-ND1 3.39Å; E27-H31 PolarHBondContact O-CD2 2.83Å; E27-H31 VanDerWaalsContact O-CD2 3.25Å; E27-H31 PolarHBondContact O-N 2.74Å; D28-H31 PolarHBondContact O-N 3.38Å; H31-K33 PolarHBondContact O-N 3.32Å
32R90.2Very high88.4Confident164 Ų16455 Ų5562%0.61926%0.258SS*.THydrogen-bonded Turntrans-77.4-3.2176.9-63.4177.575.2-1703.4113.1D28 Y30 L34D28-R32 VanDerWaalsContact O-CB 3.31Å; D28-R32 WeakPolarHBondContact O-CB 3.4Å; D28-R32 VanDerWaalsContact O-CG 3.27Å; D28-R32 WeakPolarHBondContact O-CG 3.38Å; D28-R32 PolarHBondContact O-N 3.44Å; D28-R32 VanDerWaalsContact OD1-CD 3.31Å; D28-R32 WeakPolarHBondContact OD1-CD 3.39Å; D28-R32 WeakPolarHBondContact OD2-CD 3.44Å; D28-R32 IonicContact OD2-NH1 3.55Å; D28-R32 PolarHBondContact OD2-NH1 3.04Å; Y30-R32 PolarHBondContact O-N 2.93Å; R32-L34 HydrophobicContact CB-CD1 4.05Å; R32-L34 HydrophobicContact CB-CG 3.92Å; R32-L34 PolarHBondContact O-N 3.28Å
33K87.5Confident88.5Confident144 Ų14457.2 Ų57.263%0.62627%0.267SS*.THydrogen-bonded Turntrans57.734.4178.9-56.6178.3-178.5174.50113.1M29 Y30 H31 W35M29-K33 PolarHBondContact O-N 3.47Å; Y30-K33 PolarHBondContact O-N 3.07Å; Y30-K33 VanDerWaalsContact O-N 3.08Å; H31-K33 PolarHBondContact O-N 3.32Å; K33-W35 HydrophobicContact CB-CZ2 3.79Å; K33-W35 HydrophobicContact CD-CZ2 4.46Å; K33-W35 HydrophobicContact CG-CH2 4.48Å; K33-W35 HydrophobicContact CG-CZ2 3.85Å; K33-W35 VanDerWaalsContact O-CD1 3.28Å; K33-W35 PolarHBondContact O-N 3.16Å; K33-W35 PolarHBondContact O-NE1 2.92Å
34L89Confident88.5Confident52 Ų5264.2 Ų64.227%0.27230%0.297SS..  trans-81.665.7178.1-62.7175.1000110.6M29 R32 H36 E37 L38M29-L34 HydrophobicContact CB-CB 4.32Å; M29-L34 HydrophobicContact CG-CB 4.48Å; M29-L34 PolarHBondContact O-N 2.92Å; R32-L34 HydrophobicContact CB-CD1 4.05Å; R32-L34 HydrophobicContact CB-CG 3.92Å; R32-L34 PolarHBondContact O-N 3.28Å; L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.42Å; L34-E37 HydrophobicContact CB-CB 4.32Å; L34-E37 PolarHBondContact O-N 2.97Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 3.26Å
35W88.3Confident88.6Confident70 Ų7062.6 Ų62.627%0.26528%0.284SS..Hα-helixtrans-58.4-35.6-168.5-54.8117.1000115Y30 K33 L38 T39 F68 R71Y30-W35 HydrophobicContact CD2-CH2 4.23Å; Y30-W35 AromaticContact CD2-CZ3 3.91Å; Y30-W35 HydrophobicContact CD2-CZ3 3.91Å; Y30-W35 HydrophobicContact CE2-CH2 4.16Å; Y30-W35 HydrophobicContact CE2-CZ3 4.11Å; K33-W35 HydrophobicContact CB-CZ2 3.79Å; K33-W35 HydrophobicContact CD-CZ2 4.46Å; K33-W35 HydrophobicContact CG-CH2 4.48Å; K33-W35 HydrophobicContact CG-CZ2 3.85Å; K33-W35 VanDerWaalsContact O-CD1 3.28Å; K33-W35 PolarHBondContact O-N 3.16Å; K33-W35 PolarHBondContact O-NE1 2.92Å; W35-L38 HydrophobicContact CE3-CD2 4.05Å; W35-L38 HydrophobicContact CZ3-CD2 4.1Å; W35-T39 WeakPolarHBondContact O-CB 2.86Å; W35-T39 PolarHBondContact O-N 2.78Å; W35-T39 PolarHBondContact O-OG1 3.26Å; W35-F68 HydrophobicContact CE3-CB 4.05Å; W35-F68 AromaticContact CE3-CD2 4Å; W35-F68 HydrophobicContact CE3-CD2 4Å; W35-F68 HydrophobicContact CE3-CG 4.19Å; W35-F68 HydrophobicContact CH2-CB 4.15Å; W35-F68 HydrophobicContact CZ3-CB 3.53Å; W35-F68 HydrophobicContact CZ3-CD1 4.49Å; W35-F68 HydrophobicContact CZ3-CD2 4.07Å; W35-F68 AromaticContact CZ3-CG 3.81Å; W35-F68 HydrophobicContact CZ3-CG 3.81Å; W35-R71 HydrophobicContact CB-CB 4.42Å; W35-R71 HydrophobicContact CD2-CB 3.94Å; W35-R71 HydrophobicContact CD2-CG 4.3Å; W35-R71 HydrophobicContact CE3-CB 4.34Å; W35-R71 HydrophobicContact CG-CB 3.95Å
36H86.4Confident88.5Confident127 Ų12759.3 Ų59.359%0.58827%0.266SS*.Hα-helixtrans-69.1-49.7179.6-17864.5000111.4L34 L38 T39 M40L34-H36 VanDerWaalsContact C-N 3.31Å; L34-H36 PolarHBondContact O-N 3.42Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 2.84Å; H36-T39 WeakPolarHBondContact O-CB 3.31Å; H36-T39 PolarHBondContact O-N 2.92Å; H36-M40 WeakPolarHBondContact O-CG 3.13Å; H36-M40 PolarHBondContact O-N 3.06Å
37E89.8Confident88.4Confident98 Ų9863 Ų6346%0.45829%0.286SS..Hα-helixtrans-62.4-43.2177.1-65.6175.7-15700110.5M29 L34 T39 M40 T41M29-E37 HydrophobicContact CE-CB 4.06Å; M29-E37 HydrophobicContact SD-CB 3.92Å; L34-E37 HydrophobicContact CB-CB 4.32Å; L34-E37 PolarHBondContact O-N 2.97Å; E37-T39 VanDerWaalsContact C-N 3.33Å; E37-T39 PolarHBondContact O-N 3.44Å; E37-M40 PolarHBondContact O-N 2.72Å; E37-M40 VanDerWaalsContact O-N 3.12Å; E37-T41 PolarHBondContact O-N 2.84Å; E37-T41 PolarHBondContact O-OG1 3.23Å; E37-T41 VanDerWaalsContact O-OG1 3.04Å
38L89.1Confident88.4Confident0 Ų062.7 Ų62.70%029%0.286CS..Hα-helixtrans-57.2-46174.1-176.759.4000111.4M26 M29 Y30 L34 W35 H36 M40 T41 V42 F64 F68M26-L38 HydrophobicContact CB-CD1 3.99Å; M26-L38 HydrophobicContact CG-CD1 4.06Å; M29-L38 HydrophobicContact CB-CB 4.11Å; M29-L38 HydrophobicContact CB-CD1 4.2Å; Y30-L38 HydrophobicContact CD2-CD2 4.21Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 3.26Å; W35-L38 HydrophobicContact CE3-CD2 4.05Å; W35-L38 HydrophobicContact CZ3-CD2 4.1Å; H36-L38 VanDerWaalsContact C-N 3.32Å; H36-L38 PolarHBondContact O-N 2.84Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 2.72Å; L38-T41 PolarHBondContact O-N 2.87Å; L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 HydrophobicContact CG-CG2 4.3Å; L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.46Å; L38-V42 WeakPolarHBondContact O-CG2 3.01Å; L38-V42 PolarHBondContact O-N 2.95Å; L38-F64 HydrophobicContact CD1-CE1 4.24Å; L38-F64 HydrophobicContact CD1-CZ 4.04Å; L38-F64 HydrophobicContact CD2-CZ 4.4Å; L38-F68 HydrophobicContact CD2-CD2 4.04Å; L38-F68 HydrophobicContact CD2-CE1 4.07Å; L38-F68 HydrophobicContact CD2-CE2 3.55Å; L38-F68 HydrophobicContact CD2-CG 4.5Å; L38-F68 HydrophobicContact CD2-CZ 3.58Å; L38-F68 HydrophobicContact CG-CE2 3.98Å; L38-F68 HydrophobicContact CG-CZ 4.02Å
39T88.5Confident88.1Confident5 Ų562 Ų623%0.03129%0.291CS..Hα-helixtrans-59.5-41.7177-60.10000111.8W35 H36 E37 K43 I72 Y76W35-T39 WeakPolarHBondContact O-CB 2.86Å; W35-T39 PolarHBondContact O-N 2.78Å; W35-T39 PolarHBondContact O-OG1 3.26Å; H36-T39 WeakPolarHBondContact O-CB 3.31Å; H36-T39 PolarHBondContact O-N 2.92Å; E37-T39 VanDerWaalsContact C-N 3.33Å; E37-T39 PolarHBondContact O-N 3.44Å; T39-K43 WeakPolarHBondContact O-CB 3.34Å; T39-K43 PolarHBondContact O-N 3.44Å; T39-I72 HydrophobicContact CG2-CG2 3.7Å; T39-Y76 HydrophobicContact CG2-CD1 4.2Å; T39-Y76 HydrophobicContact CG2-CG 3.85Å
40M88.9Confident87.9Confident64 Ų6465.4 Ų65.432%0.31531%0.305SS..Hα-helixtrans-69.5-40.5179.4-66.8-62.7-76.700111.7H36 E37 L38 K43 K44 Y76H36-M40 WeakPolarHBondContact O-CG 3.13Å; H36-M40 PolarHBondContact O-N 3.06Å; E37-M40 PolarHBondContact O-N 2.72Å; E37-M40 VanDerWaalsContact O-N 3.12Å; L38-M40 VanDerWaalsContact C-N 3.3Å; L38-M40 PolarHBondContact O-N 2.72Å; M40-K43 PolarHBondContact O-N 2.88Å; M40-K44 WeakPolarHBondContact O-CG 3.48Å; M40-K44 PolarHBondContact O-N 3.13Å; M40-Y76 HydrophobicContact SD-CD1 4.36Å; M40-Y76 HydrophobicContact SD-CE1 3.58Å; M40-Y76 VanDerWaalsContact SD-CE1 3.58Å
41T88.8Confident87.8Confident17 Ų1763.3 Ų63.310%0.10430%0.296CS..Hα-helixtrans-65.6-43175.2-57.60000111.3L22 M26 M29 E37 L38 K44 A45L22-T41 HydrophobicContact CD1-CG2 3.83Å; M26-T41 HydrophobicContact CE-CG2 4.1Å; M26-T41 HydrophobicContact CG-CG2 3.92Å; M29-T41 PolarHBondContact SD-OG1 2.78Å; E37-T41 PolarHBondContact O-N 2.84Å; E37-T41 PolarHBondContact O-OG1 3.23Å; E37-T41 VanDerWaalsContact O-OG1 3.04Å; L38-T41 PolarHBondContact O-N 2.87Å; T41-K44 WeakPolarHBondContact O-CB 3.48Å; T41-K44 PolarHBondContact O-N 3.32Å; T41-A45 WeakPolarHBondContact O-CB 2.96Å; T41-A45 PolarHBondContact O-N 2.76Å
42V89.6Confident87.5Confident0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-60.6-45.8173.8167.80000110.9M26 L38 K44 A45 V46 F60 F64 L65 F68 I80M26-V42 HydrophobicContact CE-CG2 4.3Å; M26-V42 HydrophobicContact SD-CG2 4.19Å; L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 HydrophobicContact CG-CG2 4.3Å; L38-V42 VanDerWaalsContact O-CB 3.31Å; L38-V42 WeakPolarHBondContact O-CB 3.46Å; L38-V42 WeakPolarHBondContact O-CG2 3.01Å; L38-V42 PolarHBondContact O-N 2.95Å; V42-K44 VanDerWaalsContact C-N 3.34Å; V42-K44 PolarHBondContact O-N 3.32Å; V42-A45 PolarHBondContact O-N 3.44Å; V42-V46 HydrophobicContact CG1-CG2 4.45Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3Å; V42-F60 HydrophobicContact CG1-CE1 3.98Å; V42-F60 HydrophobicContact CG1-CZ 4.21Å; V42-F60 HydrophobicContact CG2-CZ 4.29Å; V42-F64 HydrophobicContact CG2-CE1 4.21Å; V42-L65 HydrophobicContact CG1-CD1 3.92Å; V42-L65 HydrophobicContact CG1-CD2 3.8Å; V42-L65 HydrophobicContact CG1-CG 4.06Å; V42-L65 HydrophobicContact CG2-CD1 4.41Å; V42-F68 HydrophobicContact CG2-CZ 4.47Å; V42-I80 HydrophobicContact CG1-CD1 3.87Å
43K88.3Confident87Confident65 Ų6560.1 Ų60.128%0.28329%0.292SS..Hα-helixtrans-58.7-46.6175.6-175.4-172176.9-61.60111.1T39 M40 A45 V46 D47 Y76 I80T39-K43 WeakPolarHBondContact O-CB 3.34Å; T39-K43 PolarHBondContact O-N 3.44Å; M40-K43 PolarHBondContact O-N 2.88Å; K43-A45 VanDerWaalsContact C-N 3.34Å; K43-A45 PolarHBondContact O-N 3Å; K43-V46 PolarHBondContact O-N 3.3Å; K43-D47 IonicContact NZ-OD2 3.25Å; K43-D47 PolarHBondContact NZ-OD2 3.01Å; K43-D47 PolarHBondContact O-N 3.4Å; K43-Y76 HydrophobicContact CD-CD1 4.11Å; K43-Y76 HydrophobicContact CD-CE1 4.22Å; K43-I80 HydrophobicContact CB-CD1 4.45Å; K43-I80 HydrophobicContact CB-CG1 4.34Å
44K89.1Confident86.6Confident147 Ų14756.8 Ų56.864%0.63928%0.279SS*.Hα-helixtrans-59-44.4176.7-73.6174.6-179.2-178.50111.7M40 T41 V42 D47 D48M40-K44 WeakPolarHBondContact O-CG 3.48Å; M40-K44 PolarHBondContact O-N 3.13Å; T41-K44 WeakPolarHBondContact O-CB 3.48Å; T41-K44 PolarHBondContact O-N 3.32Å; V42-K44 VanDerWaalsContact C-N 3.34Å; V42-K44 PolarHBondContact O-N 3.32Å; K44-D47 PolarHBondContact O-N 3.21Å; K44-D48 WeakPolarHBondContact O-CB 3.46Å; K44-D48 PolarHBondContact O-N 3.43Å
45A88.1Confident86.1Confident0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-61.9-44.2178.200000112.4L22 M26 T41 V42 K43 D47 D48 F51L22-A45 HydrophobicContact CD2-CB 3.69Å; L22-A45 HydrophobicContact CG-CB 4.44Å; M26-A45 HydrophobicContact CE-CB 3.3Å; T41-A45 WeakPolarHBondContact O-CB 2.96Å; T41-A45 PolarHBondContact O-N 2.76Å; V42-A45 PolarHBondContact O-N 3.44Å; K43-A45 VanDerWaalsContact C-N 3.34Å; K43-A45 PolarHBondContact O-N 3Å; A45-D47 VanDerWaalsContact C-N 3.27Å; A45-D47 PolarHBondContact O-N 2.91Å; A45-D48 WeakPolarHBondContact O-CB 3.4Å; A45-D48 PolarHBondContact O-N 3.1Å; A45-F51 HydrophobicContact CB-CD1 4.05Å; A45-F51 HydrophobicContact CB-CD2 4.24Å; A45-F51 HydrophobicContact CB-CE1 4.15Å; A45-F51 HydrophobicContact CB-CE2 4.32Å; A45-F51 HydrophobicContact CB-CG 4.09Å; A45-F51 HydrophobicContact CB-CZ 4.29Å; A45-F51 WeakPolarHBondContact O-CB 3.27Å; A45-F51 VanDerWaalsContact O-CD1 3.29Å; A45-F51 WeakPolarHBondContact O-CD1 3.44Å
46V87.5Confident85.9Confident1 Ų154.5 Ų54.51%0.00628%0.277CS..Hα-helixtrans-68.6-27.3178.3174.50000111.9V42 K43 C52 L57 F60 I80 T83 I84 K87V42-V46 HydrophobicContact CG1-CG2 4.45Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3Å; K43-V46 PolarHBondContact O-N 3.3Å; V46-C52 PolarHBondContact O-SG 3.29Å; V46-L57 HydrophobicContact CG2-CD2 4.4Å; V46-F60 HydrophobicContact CG2-CD1 4.32Å; V46-F60 HydrophobicContact CG2-CE1 3.91Å; V46-I80 HydrophobicContact CG1-CG2 4.49Å; V46-I80 HydrophobicContact CG2-CG2 4.12Å; V46-T83 HydrophobicContact CG1-CG2 3.69Å; V46-I84 HydrophobicContact CG1-CG1 3.96Å; V46-K87 PolarHBondContact O-NZ 3.1Å
47D85.7Confident85.8Confident77 Ų7749 Ų4941%0.41225%0.252SS..Hα-helixtrans-79-28.1173.3-72-29.4000112.2K43 K44 A45K43-D47 IonicContact NZ-OD2 3.25Å; K43-D47 PolarHBondContact NZ-OD2 3.01Å; K43-D47 PolarHBondContact O-N 3.4Å; K44-D47 PolarHBondContact O-N 3.21Å; A45-D47 VanDerWaalsContact C-N 3.27Å; A45-D47 PolarHBondContact O-N 2.91Å
48D87Confident85.5Confident35 Ų3545.4 Ų45.419%0.18724%0.235CC..  trans-68.5126.5-177.6-162.9-27000112.9Y18 K44 A45 K50 F51 C52Y18-D48 WeakPolarHBondContact CE1-OD2 3.44Å; Y18-D48 PolarHBondContact OH-OD2 2.88Å; K44-D48 WeakPolarHBondContact O-CB 3.46Å; K44-D48 PolarHBondContact O-N 3.43Å; A45-D48 WeakPolarHBondContact O-CB 3.4Å; A45-D48 PolarHBondContact O-N 3.1Å; D48-K50 VanDerWaalsContact C-N 3.34Å; D48-K50 PolarHBondContact O-N 3.25Å; D48-K50 PolarHBondContact OD1-N 3.41Å; D48-F51 HydrophobicContact CB-CB 4.14Å; D48-C52 PolarHBondContact O-N 3.01Å; D48-C52 PolarHBondContact O-SG 3.3Å
49A84.1Confident85.3Confident63 Ų6346.8 Ų46.852%0.52125%0.247SC..Hα-helixtrans-64.9-36.3179.200000112.5C52 Q53A49-C52 PolarHBondContact O-N 3.1Å; A49-Q53 WeakPolarHBondContact O-CG 3.4Å; A49-Q53 PolarHBondContact O-N 3.12Å
50K84.5Confident85.2Confident102 Ų10246.6 Ų46.644%0.44325%0.245SC..Hα-helixtrans-67.2-45.7-178.6-68.1-174.3174.9-167.80111.5D16 Y18 I19 D48 C52 Q53 Q54D16-K50 IonicContact OD2-NZ 3.49Å; Y18-K50 HydrophobicContact CD1-CD 4.32Å; I19-K50 HydrophobicContact CD1-CB 4.17Å; D48-K50 VanDerWaalsContact C-N 3.34Å; D48-K50 PolarHBondContact O-N 3.25Å; D48-K50 PolarHBondContact OD1-N 3.41Å; K50-C52 VanDerWaalsContact C-N 3.33Å; K50-C52 PolarHBondContact O-N 2.8Å; K50-Q53 PolarHBondContact O-N 2.83Å; K50-Q54 PolarHBondContact O-N 2.81Å
51F84.7Confident85.1Confident0 Ų043.7 Ų43.70%023%0.231CC..Hα-helixtrans-60.5-45.5177-173.3-95.5000110.7I19 L22 W23 A45 D48 Q53 Q54 E55 L57 F60I19-F51 HydrophobicContact CD1-CB 3.96Å; I19-F51 HydrophobicContact CD1-CD2 4.15Å; I19-F51 HydrophobicContact CG2-CD2 4.34Å; L22-F51 HydrophobicContact CD2-CD2 3.7Å; L22-F51 HydrophobicContact CD2-CE2 4.22Å; L22-F51 HydrophobicContact CD2-CG 4.36Å; W23-F51 AromaticContact CE2-CE2 3.92Å; W23-F51 HydrophobicContact CZ2-CE2 4.05Å; W23-F51 HydrophobicContact CZ2-CZ 4.02Å; W23-F51 AromaticContact NE1-CE2 3.93Å; A45-F51 HydrophobicContact CB-CD1 4.05Å; A45-F51 HydrophobicContact CB-CD2 4.24Å; A45-F51 HydrophobicContact CB-CE1 4.15Å; A45-F51 HydrophobicContact CB-CE2 4.32Å; A45-F51 HydrophobicContact CB-CG 4.09Å; A45-F51 HydrophobicContact CB-CZ 4.29Å; A45-F51 WeakPolarHBondContact O-CB 3.27Å; A45-F51 VanDerWaalsContact O-CD1 3.29Å; A45-F51 WeakPolarHBondContact O-CD1 3.44Å; D48-F51 HydrophobicContact CB-CB 4.14Å; F51-Q53 PolarHBondContact O-N 3.43Å; F51-Q54 PolarHBondContact O-N 3.2Å; F51-E55 HydrophobicContact CD1-CB 4.22Å; F51-E55 HydrophobicContact CD1-CG 4.31Å; F51-E55 HydrophobicContact CD2-CG 3.96Å; F51-E55 HydrophobicContact CE1-CB 3.95Å; F51-E55 HydrophobicContact CE1-CG 4.05Å; F51-E55 HydrophobicContact CE2-CG 3.7Å; F51-E55 HydrophobicContact CG-CG 4.26Å; F51-E55 HydrophobicContact CZ-CB 4.11Å; F51-E55 HydrophobicContact CZ-CG 3.74Å; F51-E55 VanDerWaalsContact O-CB 3.3Å; F51-E55 WeakPolarHBondContact O-CB 3.32Å; F51-E55 PolarHBondContact O-N 2.84Å; F51-L57 HydrophobicContact CD1-CD2 4.26Å; F51-L57 HydrophobicContact CE1-CD2 4.17Å; F51-F60 HydrophobicContact CE1-CD1 4.25Å; F51-F60 HydrophobicContact CE1-CD2 4.38Å; F51-F60 HydrophobicContact CE1-CE1 4.24Å; F51-F60 HydrophobicContact CE1-CE2 4.4Å; F51-F60 HydrophobicContact CE1-CG 4.31Å; F51-F60 HydrophobicContact CE1-CZ 4.32Å; F51-F60 AromaticContact CZ-CD2 3.91Å; F51-F60 HydrophobicContact CZ-CD2 3.91Å; F51-F60 HydrophobicContact CZ-CE1 4.38Å; F51-F60 AromaticContact CZ-CE2 3.76Å; F51-F60 HydrophobicContact CZ-CE2 3.76Å; F51-F60 HydrophobicContact CZ-CG 4.29Å; F51-F60 HydrophobicContact CZ-CZ 4Å
52C82Confident85Confident33 Ų3346.3 Ų46.322%0.22324%0.244CC..Hα-helixtrans-65.7-21.3179.8-64.60000114.8V46 D48 A49 K50 K87V46-C52 PolarHBondContact O-SG 3.29Å; D48-C52 PolarHBondContact O-N 3.01Å; D48-C52 PolarHBondContact O-SG 3.3Å; A49-C52 PolarHBondContact O-N 3.1Å; K50-C52 VanDerWaalsContact C-N 3.33Å; K50-C52 PolarHBondContact O-N 2.8Å; C52-K87 HydrophobicContact CB-CD 4.44Å; C52-K87 PolarHBondContact SG-NZ 3.35Å
53Q81.1Confident84.9Confident163 Ų16348.6 Ų48.676%0.76226%0.256SS*.Hα-helixtrans-80.7-32.5176.6-75.8173.95.300112.3A49 K50 F51A49-Q53 WeakPolarHBondContact O-CG 3.4Å; A49-Q53 PolarHBondContact O-N 3.12Å; K50-Q53 PolarHBondContact O-N 2.83Å; F51-Q53 PolarHBondContact O-N 3.43Å
54Q78.4Confident84.8Confident73 Ų7345.5 Ų45.534%0.34124%0.243SC..Hα-helixtrans-91.5-31.3-177.8-65.1-174.3-3.100112.3R10 K50 F51R10-Q54 PolarHBondContact NH2-O 2.79Å; K50-Q54 PolarHBondContact O-N 2.81Å; F51-Q54 PolarHBondContact O-N 3.2Å
55E78.3Confident84.7Confident8 Ų838.5 Ų38.54%0.03721%0.213CC..SBendtrans-109.4134-170.4-61.6-63.8145.600112.8R10 W23 F51 L57R10-E55 IonicContact CZ-OE1 3.26Å; R10-E55 VanDerWaalsContact CZ-OE1 3.26Å; R10-E55 IonicContact CZ-OE2 3.12Å; R10-E55 IonicContact NE-OE1 2.93Å; R10-E55 PolarHBondContact NE-OE1 3.29Å; R10-E55 IonicContact NE-OE2 2.72Å; R10-E55 PolarHBondContact NE-OE2 3.25Å; R10-E55 IonicContact NH2-OE1 2.73Å; R10-E55 PolarHBondContact NH2-OE1 3.12Å; R10-E55 IonicContact NH2-OE2 2.94Å; R10-E55 PolarHBondContact NH2-OE2 2.83Å; W23-E55 HydrophobicContact CZ2-CG 4.35Å; W23-E55 PolarHBondContact NE1-OE1 3.21Å; F51-E55 HydrophobicContact CD1-CB 4.22Å; F51-E55 HydrophobicContact CD1-CG 4.31Å; F51-E55 HydrophobicContact CD2-CG 3.96Å; F51-E55 HydrophobicContact CE1-CB 3.95Å; F51-E55 HydrophobicContact CE1-CG 4.05Å; F51-E55 HydrophobicContact CE2-CG 3.7Å; F51-E55 HydrophobicContact CG-CG 4.26Å; F51-E55 HydrophobicContact CZ-CB 4.11Å; F51-E55 HydrophobicContact CZ-CG 3.74Å; F51-E55 VanDerWaalsContact O-CB 3.3Å; F51-E55 WeakPolarHBondContact O-CB 3.32Å; F51-E55 PolarHBondContact O-N 2.84Å; E55-L57 PolarHBondContact O-N 3.29Å
56S83.6Confident84.6Confident66 Ų6644.5 Ų44.546%0.46224%0.235SC..  trans-75.5112.3166.11730000109.3M58 A59 F60S56-M58 VanDerWaalsContact C-N 3.25Å; S56-M58 PolarHBondContact O-N 3.31Å; S56-A59 PolarHBondContact O-N 3.36Å; S56-F60 WeakPolarHBondContact O-CB 3.36Å; S56-F60 PolarHBondContact O-N 2.84Å
57L84.1Confident84.5Confident12 Ų1248.9 Ų48.96%0.06326%0.255CS..Hα-helixtrans-63-28.4-177.1-64.6179.7000113.9V46 F51 E55 Y61 I84 K87V46-L57 HydrophobicContact CG2-CD2 4.4Å; F51-L57 HydrophobicContact CD1-CD2 4.26Å; F51-L57 HydrophobicContact CE1-CD2 4.17Å; E55-L57 PolarHBondContact O-N 3.29Å; L57-Y61 PolarHBondContact O-N 3.45Å; L57-I84 HydrophobicContact CB-CB 4.37Å; L57-I84 HydrophobicContact CB-CG1 4.07Å; L57-I84 HydrophobicContact CB-CG2 3.8Å; L57-I84 HydrophobicContact CD1-CG1 4.34Å; L57-K87 HydrophobicContact CD1-CB 3.9Å; L57-K87 HydrophobicContact CD1-CD 3.76Å; L57-K87 HydrophobicContact CD1-CG 4.42Å
58M84.7Confident84.5Confident23 Ų2345.4 Ų45.411%0.11324%0.237CC..Hα-helixtrans-73-44.4174.9-66-66.4-10800110.7S56 F60 Y61 D62 I84 H88 E93 F97S56-M58 VanDerWaalsContact C-N 3.25Å; S56-M58 PolarHBondContact O-N 3.31Å; M58-F60 VanDerWaalsContact C-N 3.27Å; M58-F60 PolarHBondContact O-N 3.31Å; M58-Y61 WeakPolarHBondContact O-CB 3.41Å; M58-Y61 PolarHBondContact O-N 2.73Å; M58-Y61 VanDerWaalsContact O-N 3.12Å; M58-D62 PolarHBondContact O-N 3.15Å; M58-I84 HydrophobicContact CG-CG2 4.45Å; M58-I84 HydrophobicContact SD-CG2 3.74Å; M58-H88 WeakPolarHBondContact CG-CD2 3.47Å; M58-E93 HydrophobicContact CE-CB 3.98Å; M58-F97 HydrophobicContact CE-CB 3.92Å; M58-F97 HydrophobicContact CE-CD1 4.47Å; M58-F97 HydrophobicContact CE-CG 4.2Å; M58-F97 HydrophobicContact SD-CD1 4.2Å; M58-F97 HydrophobicContact SD-CG 4.25Å
59A84.1Confident84.5Confident29 Ų2945.5 Ų45.524%0.2424%0.236CC..Hα-helixtrans-63.2-36.9174.100000111.5S56 Y61 D62 N63S56-A59 PolarHBondContact O-N 3.36Å; A59-Y61 VanDerWaalsContact C-N 3.34Å; A59-D62 PolarHBondContact O-N 3.2Å; A59-N63 VanDerWaalsContact O-CB 3.27Å; A59-N63 WeakPolarHBondContact O-CB 3.36Å; A59-N63 PolarHBondContact O-N 3.3Å; A59-N63 PolarHBondContact O-ND2 3.49Å
60F86.6Confident84.5Confident0 Ų047.5 Ų47.50%025%0.246CC..Hα-helixtrans-61.8-41.6173177.4-115.9000111.7Y6 W23 M26 V42 V46 F51 S56 M58 F64 L65Y6-F60 PolarHBondContact OH-N 2.93Å; W23-F60 AromaticContact CH2-CD2 3.46Å; W23-F60 HydrophobicContact CH2-CD2 3.46Å; W23-F60 VanDerWaalsContact CH2-CD2 3.46Å; W23-F60 AromaticContact CH2-CE2 3.52Å; W23-F60 HydrophobicContact CH2-CE2 3.52Å; W23-F60 HydrophobicContact CZ2-CD2 4.08Å; W23-F60 HydrophobicContact CZ2-CE2 4.24Å; W23-F60 HydrophobicContact CZ3-CD2 4.19Å; W23-F60 AromaticContact CZ3-CE2 3.81Å; W23-F60 HydrophobicContact CZ3-CE2 3.81Å; M26-F60 HydrophobicContact CE-CZ 4.19Å; M26-F60 HydrophobicContact SD-CE2 4.12Å; M26-F60 HydrophobicContact SD-CZ 4.04Å; V42-F60 HydrophobicContact CG1-CE1 3.98Å; V42-F60 HydrophobicContact CG1-CZ 4.21Å; V42-F60 HydrophobicContact CG2-CZ 4.29Å; V46-F60 HydrophobicContact CG2-CD1 4.32Å; V46-F60 HydrophobicContact CG2-CE1 3.91Å; F51-F60 HydrophobicContact CE1-CD1 4.25Å; F51-F60 HydrophobicContact CE1-CD2 4.38Å; F51-F60 HydrophobicContact CE1-CE1 4.24Å; F51-F60 HydrophobicContact CE1-CE2 4.4Å; F51-F60 HydrophobicContact CE1-CG 4.31Å; F51-F60 HydrophobicContact CE1-CZ 4.32Å; F51-F60 AromaticContact CZ-CD2 3.91Å; F51-F60 HydrophobicContact CZ-CD2 3.91Å; F51-F60 HydrophobicContact CZ-CE1 4.38Å; F51-F60 AromaticContact CZ-CE2 3.76Å; F51-F60 HydrophobicContact CZ-CE2 3.76Å; F51-F60 HydrophobicContact CZ-CG 4.29Å; F51-F60 HydrophobicContact CZ-CZ 4Å; S56-F60 WeakPolarHBondContact O-CB 3.36Å; S56-F60 PolarHBondContact O-N 2.84Å; M58-F60 VanDerWaalsContact C-N 3.27Å; M58-F60 PolarHBondContact O-N 3.31Å; F60-F64 HydrophobicContact CD2-CB 4.36Å; F60-F64 HydrophobicContact CD2-CD1 4.3Å; F60-F64 HydrophobicContact CE2-CB 4.42Å; F60-F64 AromaticContact CE2-CD1 3.55Å; F60-F64 HydrophobicContact CE2-CD1 3.55Å; F60-F64 HydrophobicContact CE2-CE1 4.28Å; F60-F64 HydrophobicContact CE2-CG 4.36Å; F60-F64 AromaticContact CZ-CD1 3.93Å; F60-F64 HydrophobicContact CZ-CD1 3.93Å; F60-F64 HydrophobicContact CZ-CE1 4.45Å; F60-F64 VanDerWaalsContact O-CB 3.3Å; F60-F64 WeakPolarHBondContact O-CB 3.46Å; F60-F64 PolarHBondContact O-N 2.72Å; F60-F64 VanDerWaalsContact O-N 3.16Å; F60-L65 HydrophobicContact CD1-CD1 3.74Å; F60-L65 HydrophobicContact CD2-CD1 4.43Å; F60-L65 HydrophobicContact CE1-CD1 3.3Å; F60-L65 HydrophobicContact CE1-CD2 4.38Å; F60-L65 HydrophobicContact CE1-CG 4.48Å; F60-L65 HydrophobicContact CE2-CD1 4.06Å; F60-L65 HydrophobicContact CG-CD1 4.3Å; F60-L65 HydrophobicContact CZ-CD1 3.48Å; F60-L65 VanDerWaalsContact CZ-CD1 3.48Å; F60-L65 PolarHBondContact O-N 3.32Å
61Y87.6Confident84.6Confident3 Ų350.8 Ų50.81%0.01226%0.256CS..Hα-helixtrans-62.8-55.6174.2-178.2-88000111.6L57 M58 A59 N63 L65 R66 E69 L77 F97 I101L57-Y61 PolarHBondContact O-N 3.45Å; M58-Y61 WeakPolarHBondContact O-CB 3.41Å; M58-Y61 PolarHBondContact O-N 2.73Å; M58-Y61 VanDerWaalsContact O-N 3.12Å; A59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-N63 PolarHBondContact O-N 2.65Å; Y61-L65 HydrophobicContact CD2-CB 3.9Å; Y61-L65 HydrophobicContact CD2-CD2 4.02Å; Y61-L65 HydrophobicContact CE2-CB 4.21Å; Y61-L65 HydrophobicContact CG-CB 4.49Å; Y61-L65 PolarHBondContact O-N 3.4Å; Y61-L65 VanDerWaalsContact O-N 3.11Å; Y61-R66 HydrophobicContact CE1-CB 4.12Å; Y61-R66 HydrophobicContact CE1-CG 4.33Å; Y61-R66 WeakPolarHBondContact O-CB 3.35Å; Y61-R66 PolarHBondContact O-N 3.2Å; Y61-E69 PolarHBondContact OH-OE2 3.23Å; Y61-L77 HydrophobicContact CE2-CD1 4.21Å; Y61-F97 HydrophobicContact CD1-CD2 4.25Å; Y61-F97 AromaticContact CD1-CE2 3.51Å; Y61-F97 HydrophobicContact CD1-CE2 3.51Å; Y61-F97 HydrophobicContact CD1-CZ 4.36Å; Y61-F97 AromaticContact CD2-CE2 3.61Å; Y61-F97 HydrophobicContact CD2-CE2 3.61Å; Y61-F97 AromaticContact CD2-CZ 3.69Å; Y61-F97 HydrophobicContact CD2-CZ 3.69Å; Y61-F97 HydrophobicContact CE1-CD2 4.35Å; Y61-F97 AromaticContact CE1-CE2 3.64Å; Y61-F97 HydrophobicContact CE1-CE2 3.64Å; Y61-F97 AromaticContact CE2-CE2 3.7Å; Y61-F97 HydrophobicContact CE2-CE2 3.7Å; Y61-F97 AromaticContact CE2-CZ 3.96Å; Y61-F97 HydrophobicContact CE2-CZ 3.96Å; Y61-F97 AromaticContact CG-CE2 3.52Å; Y61-F97 HydrophobicContact CG-CE2 3.52Å; Y61-F97 AromaticContact CG-CZ 3.92Å; Y61-F97 HydrophobicContact CG-CZ 3.92Å; Y61-F97 AromaticContact CZ-CE2 3.74Å; Y61-I101 HydrophobicContact CE2-CD1 3.75Å; Y61-I101 WeakPolarHBondContact OH-CD1 3.37Å
62D86Confident84.7Confident73 Ų7351.2 Ų51.239%0.3926%0.258SS..Hα-helixtrans-67-38.5-171.4-82-41.9000113.3M58 A59 R66M58-D62 PolarHBondContact O-N 3.15Å; A59-D62 PolarHBondContact O-N 3.2Å; D62-R66 IonicContact OD1-NH1 3.78Å; D62-R66 PolarHBondContact OD1-NH1 3.2Å; D62-R66 VanDerWaalsContact OD1-NH1 3.15Å
63N87.3Confident84.9Confident47 Ų4752.5 Ų52.525%0.25127%0.268SS..Hα-helixtrans-92.8-13.3-175.7-60.5-59.6000113.9Y6 A59 Y61 H67Y6-N63 HydrophobicContact CD1-CB 3.65Å; Y6-N63 HydrophobicContact CD2-CB 3.68Å; Y6-N63 HydrophobicContact CE1-CB 3.85Å; Y6-N63 HydrophobicContact CE2-CB 3.9Å; Y6-N63 HydrophobicContact CG-CB 3.56Å; A59-N63 VanDerWaalsContact O-CB 3.27Å; A59-N63 WeakPolarHBondContact O-CB 3.36Å; A59-N63 PolarHBondContact O-N 3.3Å; A59-N63 PolarHBondContact O-ND2 3.49Å; Y61-N63 PolarHBondContact O-N 2.65Å; N63-H67 PolarHBondContact O-CD2 3.39Å; N63-H67 VanDerWaalsContact O-CD2 3.26Å; N63-H67 PolarHBondContact O-NE2 3.04Å
64F87.1Confident85.3Confident0 Ų050.8 Ų50.80%025%0.254CS..THydrogen-bonded Turntrans-127.7-65.9-178.9-173.1-123000113P3 Y6 I7 W23 M26 Y30 L38 V42 F60 R66 H67 F68P3-F64 HydrophobicContact CB-CD2 3.94Å; P3-F64 HydrophobicContact CB-CE2 4.47Å; Y6-F64 HydrophobicContact CD1-CB 4.2Å; Y6-F64 HydrophobicContact CE1-CB 4.38Å; I7-F64 HydrophobicContact CD1-CD2 4.04Å; I7-F64 HydrophobicContact CD1-CE2 3.61Å; I7-F64 HydrophobicContact CD1-CZ 4.31Å; I7-F64 HydrophobicContact CG1-CD2 4.25Å; I7-F64 HydrophobicContact CG1-CE2 4.25Å; W23-F64 HydrophobicContact CZ3-CD1 4.44Å; M26-F64 HydrophobicContact CB-CE1 4.34Å; M26-F64 HydrophobicContact CB-CZ 4.19Å; M26-F64 HydrophobicContact SD-CE1 3.91Å; Y30-F64 HydrophobicContact CD2-CE2 4.15Å; Y30-F64 HydrophobicContact CG-CE2 4.33Å; L38-F64 HydrophobicContact CD1-CE1 4.24Å; L38-F64 HydrophobicContact CD1-CZ 4.04Å; L38-F64 HydrophobicContact CD2-CZ 4.4Å; V42-F64 HydrophobicContact CG2-CE1 4.21Å; F60-F64 HydrophobicContact CD2-CB 4.36Å; F60-F64 HydrophobicContact CD2-CD1 4.3Å; F60-F64 HydrophobicContact CE2-CB 4.42Å; F60-F64 AromaticContact CE2-CD1 3.55Å; F60-F64 HydrophobicContact CE2-CD1 3.55Å; F60-F64 HydrophobicContact CE2-CE1 4.28Å; F60-F64 HydrophobicContact CE2-CG 4.36Å; F60-F64 AromaticContact CZ-CD1 3.93Å; F60-F64 HydrophobicContact CZ-CD1 3.93Å; F60-F64 HydrophobicContact CZ-CE1 4.45Å; F60-F64 VanDerWaalsContact O-CB 3.3Å; F60-F64 WeakPolarHBondContact O-CB 3.46Å; F60-F64 PolarHBondContact O-N 2.72Å; F60-F64 VanDerWaalsContact O-N 3.16Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.95Å; F64-H67 PolarHBondContact O-N 3.44Å; F64-F68 AromaticContact CD1-CE1 3.98Å; F64-F68 HydrophobicContact CD1-CE1 3.98Å; F64-F68 HydrophobicContact CD1-CZ 4.19Å; F64-F68 HydrophobicContact CD2-CE1 4.1Å; F64-F68 AromaticContact CE1-CE1 3.81Å; F64-F68 HydrophobicContact CE1-CE1 3.81Å; F64-F68 AromaticContact CE1-CZ 3.82Å; F64-F68 HydrophobicContact CE1-CZ 3.82Å; F64-F68 AromaticContact CE2-CE1 3.91Å; F64-F68 HydrophobicContact CE2-CE1 3.91Å; F64-F68 HydrophobicContact CG-CE1 4.12Å; F64-F68 AromaticContact CZ-CE1 3.77Å; F64-F68 HydrophobicContact CZ-CE1 3.77Å; F64-F68 HydrophobicContact CZ-CZ 4.07Å; F64-F68 WeakPolarHBondContact O-CD1 3.17Å; F64-F68 VanDerWaalsContact O-CE1 3.24Å; F64-F68 WeakPolarHBondContact O-CE1 3.35Å
65L86Confident85.8Confident0 Ų049.5 Ų49.50%025%0.251CS..G310 helixtrans-62.9-37-172.5-84.360.1000112.9V42 F60 Y61 H67 F68 E69 I80V42-L65 HydrophobicContact CG1-CD1 3.92Å; V42-L65 HydrophobicContact CG1-CD2 3.8Å; V42-L65 HydrophobicContact CG1-CG 4.06Å; V42-L65 HydrophobicContact CG2-CD1 4.41Å; F60-L65 HydrophobicContact CD1-CD1 3.74Å; F60-L65 HydrophobicContact CD2-CD1 4.43Å; F60-L65 HydrophobicContact CE1-CD1 3.3Å; F60-L65 HydrophobicContact CE1-CD2 4.38Å; F60-L65 HydrophobicContact CE1-CG 4.48Å; F60-L65 HydrophobicContact CE2-CD1 4.06Å; F60-L65 HydrophobicContact CG-CD1 4.3Å; F60-L65 HydrophobicContact CZ-CD1 3.48Å; F60-L65 VanDerWaalsContact CZ-CD1 3.48Å; F60-L65 PolarHBondContact O-N 3.32Å; Y61-L65 HydrophobicContact CD2-CB 3.9Å; Y61-L65 HydrophobicContact CD2-CD2 4.02Å; Y61-L65 HydrophobicContact CE2-CB 4.21Å; Y61-L65 HydrophobicContact CG-CB 4.49Å; Y61-L65 PolarHBondContact O-N 3.4Å; Y61-L65 VanDerWaalsContact O-N 3.11Å; L65-H67 PolarHBondContact O-N 3.22Å; L65-H67 VanDerWaalsContact O-N 3.13Å; L65-F68 HydrophobicContact CD1-CZ 4.42Å; L65-F68 HydrophobicContact CG-CZ 4.28Å; L65-F68 CarbonylContact O-C 3.57Å; L65-F68 PolarHBondContact O-N 2.89Å; L65-E69 PolarHBondContact O-N 3.48Å; L65-I80 HydrophobicContact CD2-CG2 3.85Å
66R87.1Confident86.3Confident127 Ų12752.7 Ų52.748%0.47926%0.263SS..G310 helixtrans-57.6-28.2-178.8-166.9171.9-176168.7-3113Y61 D62 F64 F68Y61-R66 HydrophobicContact CE1-CB 4.12Å; Y61-R66 HydrophobicContact CE1-CG 4.33Å; Y61-R66 WeakPolarHBondContact O-CB 3.35Å; Y61-R66 PolarHBondContact O-N 3.2Å; D62-R66 IonicContact OD1-NH1 3.78Å; D62-R66 PolarHBondContact OD1-NH1 3.2Å; D62-R66 VanDerWaalsContact OD1-NH1 3.15Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 2.95Å; R66-F68 VanDerWaalsContact C-N 3.3Å; R66-F68 PolarHBondContact O-N 2.97Å
67H85.4Confident86.6Confident92 Ų9249.9 Ų49.943%0.42624%0.243SC..G310 helixtrans-70.3-23.8179.1-68.6-71000113.9P3 N63 F64 L65P3-H67 HydrophobicContact CG-CB 4.39Å; N63-H67 PolarHBondContact O-CD2 3.39Å; N63-H67 VanDerWaalsContact O-CD2 3.26Å; N63-H67 PolarHBondContact O-NE2 3.04Å; F64-H67 PolarHBondContact O-N 3.44Å; L65-H67 PolarHBondContact O-N 3.22Å; L65-H67 VanDerWaalsContact O-N 3.13Å
68F85.8Confident86.9Confident4 Ų449.3 Ų49.32%0.01824%0.24CC..THydrogen-bonded Turntrans-131.414.7-177.763.3-87.5000113.8Y30 W35 L38 V42 F64 L65 R66 S70 R71 I72Y30-F68 HydrophobicContact CD2-CD1 4.08Å; Y30-F68 HydrophobicContact CD2-CE1 4.39Å; Y30-F68 AromaticContact CE2-CD1 3.89Å; Y30-F68 HydrophobicContact CE2-CD1 3.89Å; W35-F68 HydrophobicContact CE3-CB 4.05Å; W35-F68 AromaticContact CE3-CD2 4Å; W35-F68 HydrophobicContact CE3-CD2 4Å; W35-F68 HydrophobicContact CE3-CG 4.19Å; W35-F68 HydrophobicContact CH2-CB 4.15Å; W35-F68 HydrophobicContact CZ3-CB 3.53Å; W35-F68 HydrophobicContact CZ3-CD1 4.49Å; W35-F68 HydrophobicContact CZ3-CD2 4.07Å; W35-F68 AromaticContact CZ3-CG 3.81Å; W35-F68 HydrophobicContact CZ3-CG 3.81Å; L38-F68 HydrophobicContact CD2-CD2 4.04Å; L38-F68 HydrophobicContact CD2-CE1 4.07Å; L38-F68 HydrophobicContact CD2-CE2 3.55Å; L38-F68 HydrophobicContact CD2-CG 4.5Å; L38-F68 HydrophobicContact CD2-CZ 3.58Å; L38-F68 HydrophobicContact CG-CE2 3.98Å; L38-F68 HydrophobicContact CG-CZ 4.02Å; V42-F68 HydrophobicContact CG2-CZ 4.47Å; F64-F68 AromaticContact CD1-CE1 3.98Å; F64-F68 HydrophobicContact CD1-CE1 3.98Å; F64-F68 HydrophobicContact CD1-CZ 4.19Å; F64-F68 HydrophobicContact CD2-CE1 4.1Å; F64-F68 AromaticContact CE1-CE1 3.81Å; F64-F68 HydrophobicContact CE1-CE1 3.81Å; F64-F68 AromaticContact CE1-CZ 3.82Å; F64-F68 HydrophobicContact CE1-CZ 3.82Å; F64-F68 AromaticContact CE2-CE1 3.91Å; F64-F68 HydrophobicContact CE2-CE1 3.91Å; F64-F68 HydrophobicContact CG-CE1 4.12Å; F64-F68 AromaticContact CZ-CE1 3.77Å; F64-F68 HydrophobicContact CZ-CE1 3.77Å; F64-F68 HydrophobicContact CZ-CZ 4.07Å; F64-F68 WeakPolarHBondContact O-CD1 3.17Å; F64-F68 VanDerWaalsContact O-CE1 3.24Å; F64-F68 WeakPolarHBondContact O-CE1 3.35Å; L65-F68 HydrophobicContact CD1-CZ 4.42Å; L65-F68 HydrophobicContact CG-CZ 4.28Å; L65-F68 CarbonylContact O-C 3.57Å; L65-F68 PolarHBondContact O-N 2.89Å; R66-F68 VanDerWaalsContact C-N 3.3Å; R66-F68 PolarHBondContact O-N 2.97Å; F68-S70 PolarHBondContact O-N 3.45Å; F68-S70 VanDerWaalsContact O-N 3.09Å; F68-R71 WeakPolarHBondContact O-CB 3.37Å; F68-R71 PolarHBondContact O-N 3.03Å; F68-I72 HydrophobicContact CD2-CD1 3.72Å; F68-I72 HydrophobicContact CD2-CG1 3.67Å; F68-I72 HydrophobicContact CE2-CD1 3.5Å; F68-I72 HydrophobicContact CE2-CG1 3.82Å; F68-I72 HydrophobicContact CZ-CD1 4.42Å; F68-I72 PolarHBondContact O-N 3.2Å
69E86.4Confident87.1Confident37 Ų3749.2 Ų49.217%0.17324%0.241CC..G310 helixtrans-51.5-36-18067.1-176.1-163.300113.4Y61 L65 R71 I72 L77Y61-E69 PolarHBondContact OH-OE2 3.23Å; L65-E69 PolarHBondContact O-N 3.48Å; E69-R71 PolarHBondContact O-N 2.97Å; E69-I72 PolarHBondContact O-N 3.29Å; E69-L77 HydrophobicContact CB-CD1 4.47Å; E69-L77 HydrophobicContact CB-CD2 4.4Å
70S84.5Confident87.4Confident105 Ų10548 Ų4873%0.73423%0.23SC*.G310 helixtrans-67.5-18.4178.762.70000113.9F68F68-S70 PolarHBondContact O-N 3.45Å; F68-S70 VanDerWaalsContact O-N 3.09Å
71R85.6Confident87.6Confident171 Ų17148 Ų4865%0.64523%0.231SC*.G310 helixtrans-96.7-13.8178-56-61.4-174.8177.8-0.7112.7W35 F68 E69W35-R71 HydrophobicContact CB-CB 4.42Å; W35-R71 HydrophobicContact CD2-CB 3.94Å; W35-R71 HydrophobicContact CD2-CG 4.3Å; W35-R71 HydrophobicContact CE3-CB 4.34Å; W35-R71 HydrophobicContact CG-CB 3.95Å; F68-R71 WeakPolarHBondContact O-CB 3.37Å; F68-R71 PolarHBondContact O-N 3.03Å; E69-R71 PolarHBondContact O-N 2.97Å
72I86.6Confident87.6Confident9 Ų948.2 Ų48.25%0.04623%0.231CC..SBendtrans-78.1142177.7-58.4177.2000109.1T39 F68 E69 R74 L77T39-I72 HydrophobicContact CG2-CG2 3.7Å; F68-I72 HydrophobicContact CD2-CD1 3.72Å; F68-I72 HydrophobicContact CD2-CG1 3.67Å; F68-I72 HydrophobicContact CE2-CD1 3.5Å; F68-I72 HydrophobicContact CE2-CG1 3.82Å; F68-I72 HydrophobicContact CZ-CD1 4.42Å; F68-I72 PolarHBondContact O-N 3.2Å; E69-I72 PolarHBondContact O-N 3.29Å; I72-R74 PolarHBondContact O-N 3.37Å; I72-L77 HydrophobicContact CD1-CD1 4.31Å; I72-L77 HydrophobicContact CG2-CB 3.99Å
73S87.7Confident87.7Confident61 Ų6145.8 Ų45.843%0.42722%0.219SC..  trans-60.1126.6170.2165.90000110.3V75 Y76 L77S73-V75 PolarHBondContact O-N 3.3Å; S73-Y76 PolarHBondContact O-N 3.36Å; S73-L77 PolarHBondContact O-N 2.9Å
74R89.1Confident87.7Confident127 Ų12743.5 Ų43.548%0.47921%0.207SC..Hα-helixtrans-51.1-35.9-174.9-64.8177.1-178.8146.21113.5I72 A78 V105 A111I72-R74 PolarHBondContact O-N 3.37Å; R74-A78 WeakPolarHBondContact O-CB 3.49Å; R74-A78 PolarHBondContact O-N 2.9Å; R74-V105 HydrophobicContact CB-CB 4.24Å; R74-V105 HydrophobicContact CB-CG1 4.08Å; R74-V105 HydrophobicContact CG-CG1 4.46Å; R74-A111 HydrophobicContact CB-CB 3.95Å; R74-A111 VanDerWaalsContact O-CB 3.27Å; R74-A111 WeakPolarHBondContact O-CB 3.21Å
75V87.7Confident87.7Confident45 Ų4543.6 Ų43.627%0.27321%0.208SC..Hα-helixtrans-69.6-42.5179.1179.30000111.4S73 A78 T79 A110 A111 L114S73-V75 PolarHBondContact O-N 3.3Å; V75-A78 PolarHBondContact O-N 3.04Å; V75-T79 WeakPolarHBondContact O-CB 3.43Å; V75-T79 PolarHBondContact O-N 3.24Å; V75-T79 PolarHBondContact O-OG1 2.93Å; V75-A110 HydrophobicContact CG2-CB 4.02Å; V75-A111 HydrophobicContact CG2-CB 4.32Å; V75-L114 HydrophobicContact CG1-CD1 4.19Å
76Y88.8Confident87.7Confident76 Ų7648 Ų4830%0.29822%0.224SC..Hα-helixtrans-68.1-40.8176.7-74.4-86000111.2T39 M40 K43 S73 A78 T79 I80T39-Y76 HydrophobicContact CG2-CD1 4.2Å; T39-Y76 HydrophobicContact CG2-CG 3.85Å; M40-Y76 HydrophobicContact SD-CD1 4.36Å; M40-Y76 HydrophobicContact SD-CE1 3.58Å; M40-Y76 VanDerWaalsContact SD-CE1 3.58Å; K43-Y76 HydrophobicContact CD-CD1 4.11Å; K43-Y76 HydrophobicContact CD-CE1 4.22Å; S73-Y76 PolarHBondContact O-N 3.36Å; Y76-A78 PolarHBondContact O-N 3.1Å; Y76-T79 PolarHBondContact O-N 3.32Å; Y76-T79 VanDerWaalsContact O-N 3.17Å; Y76-I80 WeakPolarHBondContact O-CB 3.12Å; Y76-I80 WeakPolarHBondContact O-CD1 3.37Å; Y76-I80 VanDerWaalsContact O-CG1 3.29Å; Y76-I80 WeakPolarHBondContact O-CG1 3.2Å; Y76-I80 PolarHBondContact O-N 3.36Å
77L89.6Confident87.5Confident6 Ų646.6 Ų46.63%0.03122%0.222CC..Hα-helixtrans-56.7-48.6173.9-176.164.4000111.2Y61 E69 I72 S73 T79 I80 A81 I101 V105Y61-L77 HydrophobicContact CE2-CD1 4.21Å; E69-L77 HydrophobicContact CB-CD1 4.47Å; E69-L77 HydrophobicContact CB-CD2 4.4Å; I72-L77 HydrophobicContact CD1-CD1 4.31Å; I72-L77 HydrophobicContact CG2-CB 3.99Å; S73-L77 PolarHBondContact O-N 2.9Å; L77-T79 VanDerWaalsContact C-N 3.34Å; L77-T79 PolarHBondContact O-N 3.29Å; L77-I80 PolarHBondContact O-N 3.39Å; L77-A81 VanDerWaalsContact O-CB 3.32Å; L77-A81 WeakPolarHBondContact O-CB 3.42Å; L77-A81 PolarHBondContact O-N 3.43Å; L77-I101 HydrophobicContact CD1-CD1 4.49Å; L77-I101 HydrophobicContact CG-CD1 4.47Å; L77-I101 HydrophobicContact CG-CG2 4.31Å; L77-V105 HydrophobicContact CD2-CG1 4.1Å
78A90.3Very high87.4Confident0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-63.3-37.6176.600000112.9R74 V75 Y76 L82 A111 L114R74-A78 WeakPolarHBondContact O-CB 3.49Å; R74-A78 PolarHBondContact O-N 2.9Å; V75-A78 PolarHBondContact O-N 3.04Å; Y76-A78 PolarHBondContact O-N 3.1Å; A78-L82 VanDerWaalsContact O-CB 3.28Å; A78-L82 WeakPolarHBondContact O-CB 3.41Å; A78-L82 PolarHBondContact O-N 2.91Å; A78-A111 HydrophobicContact CB-CB 3.96Å; A78-L114 HydrophobicContact CB-CB 3.97Å; A78-L114 HydrophobicContact CB-CD1 4.25Å
79T89.5Confident87Confident22 Ų2248.7 Ų48.714%0.13525%0.248CC..Hα-helixtrans-67.5-42.6177.9-55.50000111.6V75 Y76 L77 T83V75-T79 WeakPolarHBondContact O-CB 3.43Å; V75-T79 PolarHBondContact O-N 3.24Å; V75-T79 PolarHBondContact O-OG1 2.93Å; Y76-T79 PolarHBondContact O-N 3.32Å; Y76-T79 VanDerWaalsContact O-N 3.17Å; L77-T79 VanDerWaalsContact C-N 3.34Å; L77-T79 PolarHBondContact O-N 3.29Å; T79-T83 PolarHBondContact O-N 2.95Å; T79-T83 VanDerWaalsContact O-N 3.11Å; T79-T83 PolarHBondContact O-OG1 3.39Å
80I90.2Very high86.8Confident3 Ų348.8 Ų48.82%0.01525%0.253CS..Hα-helixtrans-63.7-50.3175.5-70.3161.1000109.4V42 K43 V46 L65 Y76 L77 L82 T83 I84V42-I80 HydrophobicContact CG1-CD1 3.87Å; K43-I80 HydrophobicContact CB-CD1 4.45Å; K43-I80 HydrophobicContact CB-CG1 4.34Å; V46-I80 HydrophobicContact CG1-CG2 4.49Å; V46-I80 HydrophobicContact CG2-CG2 4.12Å; L65-I80 HydrophobicContact CD2-CG2 3.85Å; Y76-I80 WeakPolarHBondContact O-CB 3.12Å; Y76-I80 WeakPolarHBondContact O-CD1 3.37Å; Y76-I80 VanDerWaalsContact O-CG1 3.29Å; Y76-I80 WeakPolarHBondContact O-CG1 3.2Å; Y76-I80 PolarHBondContact O-N 3.36Å; L77-I80 PolarHBondContact O-N 3.39Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 2.95Å; I80-T83 WeakPolarHBondContact O-CA 3.31Å; I80-T83 WeakPolarHBondContact O-CB 3.23Å; I80-T83 PolarHBondContact O-N 3.28Å; I80-I84 HydrophobicContact CG2-CD1 3.68Å; I80-I84 HydrophobicContact CG2-CG1 4.22Å; I80-I84 WeakPolarHBondContact O-CG1 3.36Å; I80-I84 PolarHBondContact O-N 2.9Å
81A90.4Very high86.7Confident1 Ų146.8 Ų46.81%0.00824%0.236CC..Hα-helixtrans-56.8-43178.900000112.4L77 T83 I84 S85 F97 L98 I101L77-A81 VanDerWaalsContact O-CB 3.32Å; L77-A81 WeakPolarHBondContact O-CB 3.42Å; L77-A81 PolarHBondContact O-N 3.43Å; A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 3Å; A81-I84 PolarHBondContact O-N 3.39Å; A81-S85 WeakPolarHBondContact O-CB 3.28Å; A81-S85 PolarHBondContact O-N 3.37Å; A81-S85 PolarHBondContact O-OG 3.34Å; A81-F97 HydrophobicContact CB-CE1 3.74Å; A81-F97 HydrophobicContact CB-CZ 3.84Å; A81-L98 HydrophobicContact CB-CD2 4.07Å; A81-I101 HydrophobicContact CB-CB 4.35Å; A81-I101 HydrophobicContact CB-CG1 3.86Å; A81-I101 HydrophobicContact CB-CG2 4.04Å
82L88.9Confident86.7Confident6 Ų646 Ų463%0.03124%0.239CC..Hα-helixtrans-61.5-36.5175-179.262.9000112.6A78 I80 S85 R86 L114 E162A78-L82 VanDerWaalsContact O-CB 3.28Å; A78-L82 WeakPolarHBondContact O-CB 3.41Å; A78-L82 PolarHBondContact O-N 2.91Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 2.95Å; L82-S85 PolarHBondContact O-OG 3.17Å; L82-R86 WeakPolarHBondContact O-CB 3.27Å; L82-R86 WeakPolarHBondContact O-CD 3.4Å; L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 2.86Å; L82-L114 HydrophobicContact CD2-CD2 4.33Å; L82-E162 HydrophobicContact CD2-CG 4.28Å
83T88Confident86.7Confident22 Ų2250.2 Ų50.214%0.13526%0.259CS..Hα-helixtrans-73.3-41.8179-53.70000111V46 T79 I80 A81 R86 K87V46-T83 HydrophobicContact CG1-CG2 3.69Å; T79-T83 PolarHBondContact O-N 2.95Å; T79-T83 VanDerWaalsContact O-N 3.11Å; T79-T83 PolarHBondContact O-OG1 3.39Å; I80-T83 WeakPolarHBondContact O-CA 3.31Å; I80-T83 WeakPolarHBondContact O-CB 3.23Å; I80-T83 PolarHBondContact O-N 3.28Å; A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 3Å; T83-R86 PolarHBondContact O-N 2.9Å; T83-K87 PolarHBondContact O-N 3.4Å
84I87.5Confident86.6Confident0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-60-50.9174.4-65175.5000110.3V46 L57 M58 I80 A81 R86 K87 H88 F97V46-I84 HydrophobicContact CG1-CG1 3.96Å; L57-I84 HydrophobicContact CB-CB 4.37Å; L57-I84 HydrophobicContact CB-CG1 4.07Å; L57-I84 HydrophobicContact CB-CG2 3.8Å; L57-I84 HydrophobicContact CD1-CG1 4.34Å; M58-I84 HydrophobicContact CG-CG2 4.45Å; M58-I84 HydrophobicContact SD-CG2 3.74Å; I80-I84 HydrophobicContact CG2-CD1 3.68Å; I80-I84 HydrophobicContact CG2-CG1 4.22Å; I80-I84 WeakPolarHBondContact O-CG1 3.36Å; I80-I84 PolarHBondContact O-N 2.9Å; A81-I84 PolarHBondContact O-N 3.39Å; I84-R86 PolarHBondContact O-N 2.92Å; I84-K87 PolarHBondContact O-N 3.36Å; I84-K87 VanDerWaalsContact O-N 3.1Å; I84-H88 WeakPolarHBondContact O-CB 3.44Å; I84-H88 PolarHBondContact O-N 3.34Å; I84-F97 HydrophobicContact CB-CE1 4.2Å; I84-F97 HydrophobicContact CD1-CZ 4.47Å; I84-F97 HydrophobicContact CG2-CE1 4.07Å
85S87Confident86.6Confident1 Ų143.4 Ų43.41%0.00723%0.226CC..Hα-helixtrans-63.7-26.7-179.671.50000113A81 L82 R125A81-S85 WeakPolarHBondContact O-CB 3.28Å; A81-S85 PolarHBondContact O-N 3.37Å; A81-S85 PolarHBondContact O-OG 3.34Å; L82-S85 PolarHBondContact O-OG 3.17Å; S85-R125 PolarHBondContact O-NH1 3.34Å; S85-R125 VanDerWaalsContact O-NH1 3.12Å
86R84.8Confident86.6Confident93 Ų9347.7 Ų47.735%0.35124%0.243SC..Hα-helixtrans-72.1-36176.2-80.7169.4-177.8-178.8-1.3112.5L82 T83 I84 R125 E162L82-R86 WeakPolarHBondContact O-CB 3.27Å; L82-R86 WeakPolarHBondContact O-CD 3.4Å; L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 2.86Å; T83-R86 PolarHBondContact O-N 2.9Å; I84-R86 PolarHBondContact O-N 2.92Å; R86-R125 PolarHBondContact O-NH2 2.74Å; R86-E162 IonicContact CZ-OE1 3.98Å; R86-E162 IonicContact CZ-OE2 2.6Å; R86-E162 IonicContact NH1-OE1 3.13Å; R86-E162 PolarHBondContact NH1-OE1 3.39Å; R86-E162 IonicContact NH1-OE2 3.48Å; R86-E162 PolarHBondContact NH1-OE2 2.86Å; R86-E162 IonicContact NH2-OE1 3.33Å; R86-E162 IonicContact NH2-OE2 3.4Å; R86-E162 PolarHBondContact NH2-OE2 3.44Å
87K84.5Confident86.6Confident98 Ų9844.9 Ų44.943%0.42623%0.232SC..Hα-helixtrans-88.4-16.4-177.2-68.8-179.5175.1-177.70113.4V46 C52 L57 T83 I84V46-K87 PolarHBondContact O-NZ 3.1Å; C52-K87 HydrophobicContact CB-CD 4.44Å; C52-K87 PolarHBondContact SG-NZ 3.35Å; L57-K87 HydrophobicContact CD1-CB 3.9Å; L57-K87 HydrophobicContact CD1-CD 3.76Å; L57-K87 HydrophobicContact CD1-CG 4.42Å; T83-K87 PolarHBondContact O-N 3.4Å; I84-K87 PolarHBondContact O-N 3.36Å; I84-K87 VanDerWaalsContact O-N 3.1Å
88H82.5Confident86.6Confident44 Ų4444.7 Ų44.720%0.20423%0.231CC..  trans-85.3144.8179.5-166-88.4000112.8M58 I84 S90 E93 C94M58-H88 WeakPolarHBondContact CG-CD2 3.47Å; I84-H88 WeakPolarHBondContact O-CB 3.44Å; I84-H88 PolarHBondContact O-N 3.34Å; H88-S90 PolarHBondContact ND1-N 3.41Å; H88-E93 IonicContact CE1-OE2 3.08Å; H88-E93 PolarHBondContact CE1-OE2 3.47Å; H88-E93 IonicContact NE2-OE2 3.69Å; H88-C94 VanDerWaalsContact CB-SG 3.58Å
89A77.8Confident86.7Confident96 Ų9649.4 Ų49.479%0.79325%0.253SS*.SBendtrans-81.4-44-173.400000113.5V91A89-V91 PolarHBondContact O-N 3.38Å
90S82.9Confident86.7Confident38 Ų3851.7 Ų51.727%0.26626%0.262SS..  trans-71.8113.7-177.1179.60000111.5H88 E93 C94H88-S90 PolarHBondContact ND1-N 3.41Å; S90-E93 WeakPolarHBondContact OG-CG 3.34Å; S90-E93 PolarHBondContact OG-N 2.85Å; S90-C94 WeakPolarHBondContact O-CB 3.45Å; S90-C94 PolarHBondContact O-N 2.93Å; S90-C94 VanDerWaalsContact O-N 3.15Å; S90-C94 PolarHBondContact O-SG 2.9Å
91V82.1Confident86.7Confident63 Ų6351.5 Ų51.538%0.38226%0.261SS..Hα-helixtrans-66.3-38.4178179.10000111.4A89 C94 H95 L122A89-V91 PolarHBondContact O-N 3.38Å; V91-C94 PolarHBondContact O-N 3.37Å; V91-H95 WeakPolarHBondContact O-CB 3.38Å; V91-H95 PolarHBondContact O-N 3Å; V91-L122 HydrophobicContact CG1-CB 4.47Å
92Q85Confident86.7Confident154 Ų15452.1 Ų52.172%0.7227%0.266SS*.Hα-helixtrans-67.9-45.8-178.3-69.9-179.9-12.100111.9C94 H95 Q96Q92-C94 PolarHBondContact O-N 2.94Å; Q92-H95 WeakPolarHBondContact O-CB 3.46Å; Q92-H95 PolarHBondContact O-N 2.89Å; Q92-Q96 PolarHBondContact O-N 2.83Å; Q92-Q96 VanDerWaalsContact O-N 3.12Å
93E85.9Confident86.7Confident99 Ų9955.1 Ų55.146%0.46329%0.291SS..Hα-helixtrans-64.8-41176.5-69.9171.4-158.600111.4M58 H88 S90 H95 Q96 F97M58-E93 HydrophobicContact CE-CB 3.98Å; H88-E93 IonicContact CE1-OE2 3.08Å; H88-E93 PolarHBondContact CE1-OE2 3.47Å; H88-E93 IonicContact NE2-OE2 3.69Å; S90-E93 WeakPolarHBondContact OG-CG 3.34Å; S90-E93 PolarHBondContact OG-N 2.85Å; E93-H95 PolarHBondContact O-N 3.37Å; E93-Q96 PolarHBondContact O-N 3.48Å; E93-F97 WeakPolarHBondContact O-CB 3.44Å; E93-F97 PolarHBondContact O-N 3.13Å
94C87Confident86.7Confident0 Ų057.5 Ų57.50%030%0.303CS..Hα-helixtrans-60.7-36.3174.4-69.40000112.3H88 S90 V91 Q92 L98 L122H88-C94 VanDerWaalsContact CB-SG 3.58Å; S90-C94 WeakPolarHBondContact O-CB 3.45Å; S90-C94 PolarHBondContact O-N 2.93Å; S90-C94 VanDerWaalsContact O-N 3.15Å; S90-C94 PolarHBondContact O-SG 2.9Å; V91-C94 PolarHBondContact O-N 3.37Å; Q92-C94 PolarHBondContact O-N 2.94Å; C94-L98 WeakPolarHBondContact O-CB 3.42Å; C94-L98 WeakPolarHBondContact O-CG 3.45Å; C94-L98 PolarHBondContact O-N 3.23Å; C94-L122 VanDerWaalsContact C-CD1 3.5Å; C94-L122 HydrophobicContact CB-CD1 3.48Å; C94-L122 VanDerWaalsContact CB-CD1 3.48Å; C94-L122 HydrophobicContact CB-CD2 3.74Å; C94-L122 HydrophobicContact CB-CG 4.27Å
95H87.5Confident86.7Confident44 Ų4457.6 Ų57.620%0.20430%0.303CS..Hα-helixtrans-66.6-51.5179.8-176.142000111V91 Q92 E93 F97 L98 E99 L122V91-H95 WeakPolarHBondContact O-CB 3.38Å; V91-H95 PolarHBondContact O-N 3Å; Q92-H95 WeakPolarHBondContact O-CB 3.46Å; Q92-H95 PolarHBondContact O-N 2.89Å; E93-H95 PolarHBondContact O-N 3.37Å; H95-F97 VanDerWaalsContact C-N 3.3Å; H95-F97 PolarHBondContact O-N 3.08Å; H95-L98 PolarHBondContact O-N 3.43Å; H95-E99 IonicContact CE1-OE1 3.15Å; H95-E99 PolarHBondContact CE1-OE1 2.72Å; H95-E99 IonicContact ND1-OE1 3.19Å; H95-E99 IonicContact NE2-OE1 3.75Å; H95-E99 PolarHBondContact NE2-OE1 3.05Å; H95-E99 WeakPolarHBondContact O-CG 3.39Å; H95-E99 PolarHBondContact O-N 3.01Å; H95-L122 HydrophobicContact CB-CD1 4.35Å
96Q88.6Confident86.6Confident135 Ų13560.9 Ų60.963%0.63133%0.326SS*.Hα-helixtrans-60.3-41.5176.9-67.7178-2.400111.7Q92 E93 E99 H100Q92-Q96 PolarHBondContact O-N 2.83Å; Q92-Q96 VanDerWaalsContact O-N 3.12Å; E93-Q96 PolarHBondContact O-N 3.48Å; Q96-E99 PolarHBondContact O-N 3.45Å; Q96-H100 PolarHBondContact O-N 2.83Å
97F89.7Confident86.7Confident18 Ų1859.7 Ų59.78%0.07934%0.336CS..Hα-helixtrans-59.9-51.3175.8173.7-118.4000111.9M58 Y61 A81 I84 E93 H95 E99 H100 I101M58-F97 HydrophobicContact CE-CB 3.92Å; M58-F97 HydrophobicContact CE-CD1 4.47Å; M58-F97 HydrophobicContact CE-CG 4.2Å; M58-F97 HydrophobicContact SD-CD1 4.2Å; M58-F97 HydrophobicContact SD-CG 4.25Å; Y61-F97 HydrophobicContact CD1-CD2 4.25Å; Y61-F97 AromaticContact CD1-CE2 3.51Å; Y61-F97 HydrophobicContact CD1-CE2 3.51Å; Y61-F97 HydrophobicContact CD1-CZ 4.36Å; Y61-F97 AromaticContact CD2-CE2 3.61Å; Y61-F97 HydrophobicContact CD2-CE2 3.61Å; Y61-F97 AromaticContact CD2-CZ 3.69Å; Y61-F97 HydrophobicContact CD2-CZ 3.69Å; Y61-F97 HydrophobicContact CE1-CD2 4.35Å; Y61-F97 AromaticContact CE1-CE2 3.64Å; Y61-F97 HydrophobicContact CE1-CE2 3.64Å; Y61-F97 AromaticContact CE2-CE2 3.7Å; Y61-F97 HydrophobicContact CE2-CE2 3.7Å; Y61-F97 AromaticContact CE2-CZ 3.96Å; Y61-F97 HydrophobicContact CE2-CZ 3.96Å; Y61-F97 AromaticContact CG-CE2 3.52Å; Y61-F97 HydrophobicContact CG-CE2 3.52Å; Y61-F97 AromaticContact CG-CZ 3.92Å; Y61-F97 HydrophobicContact CG-CZ 3.92Å; Y61-F97 AromaticContact CZ-CE2 3.74Å; A81-F97 HydrophobicContact CB-CE1 3.74Å; A81-F97 HydrophobicContact CB-CZ 3.84Å; I84-F97 HydrophobicContact CB-CE1 4.2Å; I84-F97 HydrophobicContact CD1-CZ 4.47Å; I84-F97 HydrophobicContact CG2-CE1 4.07Å; E93-F97 WeakPolarHBondContact O-CB 3.44Å; E93-F97 PolarHBondContact O-N 3.13Å; H95-F97 VanDerWaalsContact C-N 3.3Å; H95-F97 PolarHBondContact O-N 3.08Å; F97-E99 VanDerWaalsContact C-N 3.32Å; F97-E99 PolarHBondContact O-N 2.91Å; F97-H100 WeakPolarHBondContact O-CB 3.29Å; F97-H100 PolarHBondContact O-N 3.35Å; F97-I101 HydrophobicContact CD2-CG1 4.31Å; F97-I101 HydrophobicContact CE2-CD1 3.96Å; F97-I101 HydrophobicContact CE2-CG1 3.9Å; F97-I101 HydrophobicContact CZ-CD1 4.29Å; F97-I101 HydrophobicContact CZ-CG1 4.06Å; F97-I101 WeakPolarHBondContact O-CG1 3.28Å; F97-I101 PolarHBondContact O-N 3.45Å
98L89.6Confident86.8Confident1 Ų156.2 Ų56.21%0.00532%0.324CS..Hα-helixtrans-66.4-32.5179-72.5-175.8000112.9A81 C94 H95 I101 C102 I119 L122A81-L98 HydrophobicContact CB-CD2 4.07Å; C94-L98 WeakPolarHBondContact O-CB 3.42Å; C94-L98 WeakPolarHBondContact O-CG 3.45Å; C94-L98 PolarHBondContact O-N 3.23Å; H95-L98 PolarHBondContact O-N 3.43Å; L98-I101 PolarHBondContact O-N 3.34Å; L98-C102 WeakPolarHBondContact O-CB 3.03Å; L98-C102 PolarHBondContact O-N 3.04Å; L98-I119 HydrophobicContact CB-CD1 4.33Å; L98-I119 HydrophobicContact CB-CG1 3.69Å; L98-I119 HydrophobicContact CD1-CG1 4.1Å; L98-L122 HydrophobicContact CD1-CD1 3.63Å; L98-L122 HydrophobicContact CD1-CG 4.23Å; L98-L122 HydrophobicContact CG-CD1 4.39Å
99E90.5Very high87.1Confident99 Ų9956.4 Ų56.446%0.46333%0.329SS..Hα-helixtrans-64.5-43.3173.6-76.6-174.5155.500111.9H95 Q96 F97 C102 A103 I119H95-E99 IonicContact CE1-OE1 3.15Å; H95-E99 PolarHBondContact CE1-OE1 2.72Å; H95-E99 IonicContact ND1-OE1 3.19Å; H95-E99 IonicContact NE2-OE1 3.75Å; H95-E99 PolarHBondContact NE2-OE1 3.05Å; H95-E99 WeakPolarHBondContact O-CG 3.39Å; H95-E99 PolarHBondContact O-N 3.01Å; Q96-E99 PolarHBondContact O-N 3.45Å; F97-E99 VanDerWaalsContact C-N 3.32Å; F97-E99 PolarHBondContact O-N 2.91Å; E99-C102 WeakPolarHBondContact O-CB 3.41Å; E99-C102 PolarHBondContact O-N 3.41Å; E99-A103 PolarHBondContact O-N 2.93Å; E99-I119 HydrophobicContact CG-CD1 4.15Å
100H90.7Very high87.6Confident70 Ų7052.3 Ų52.332%0.32430%0.295SS..Hα-helixtrans-58.4-49.8174.3175.160.6000111.5Q96 F97 C102 A103 L104Q96-H100 PolarHBondContact O-N 2.83Å; F97-H100 WeakPolarHBondContact O-CB 3.29Å; F97-H100 PolarHBondContact O-N 3.35Å; H100-C102 VanDerWaalsContact C-N 3.33Å; H100-C102 PolarHBondContact O-N 3.35Å; H100-A103 PolarHBondContact O-N 3.29Å; H100-L104 PolarHBondContact O-N 3.22Å
101I89.4Confident87.8Confident0 Ų050.5 Ų50.50%028%0.283CS..Hα-helixtrans-62.4-42176.9-57.6-62.5000111.1Y61 L77 A81 F97 L98 A103 L104 V105Y61-I101 HydrophobicContact CE2-CD1 3.75Å; Y61-I101 WeakPolarHBondContact OH-CD1 3.37Å; L77-I101 HydrophobicContact CD1-CD1 4.49Å; L77-I101 HydrophobicContact CG-CD1 4.47Å; L77-I101 HydrophobicContact CG-CG2 4.31Å; A81-I101 HydrophobicContact CB-CB 4.35Å; A81-I101 HydrophobicContact CB-CG1 3.86Å; A81-I101 HydrophobicContact CB-CG2 4.04Å; F97-I101 HydrophobicContact CD2-CG1 4.31Å; F97-I101 HydrophobicContact CE2-CD1 3.96Å; F97-I101 HydrophobicContact CE2-CG1 3.9Å; F97-I101 HydrophobicContact CZ-CD1 4.29Å; F97-I101 HydrophobicContact CZ-CG1 4.06Å; F97-I101 WeakPolarHBondContact O-CG1 3.28Å; F97-I101 PolarHBondContact O-N 3.45Å; L98-I101 PolarHBondContact O-N 3.34Å; I101-A103 VanDerWaalsContact C-N 3.27Å; I101-A103 PolarHBondContact O-N 3.33Å; I101-L104 WeakPolarHBondContact O-CB 3.3Å; I101-L104 PolarHBondContact O-N 3.49Å; I101-L104 VanDerWaalsContact O-N 3.09Å; I101-V105 HydrophobicContact CG2-CG1 4.08Å; I101-V105 WeakPolarHBondContact O-CG2 3.26Å; I101-V105 PolarHBondContact O-N 3.21Å
102C90Very high88.1Confident14 Ų1449.7 Ų49.710%0.09528%0.275CS..Hα-helixtrans-57.3-40.8-179.9-168.30000111.8L98 E99 H100 V105 S106 H112 C115 I119L98-C102 WeakPolarHBondContact O-CB 3.03Å; L98-C102 PolarHBondContact O-N 3.04Å; E99-C102 WeakPolarHBondContact O-CB 3.41Å; E99-C102 PolarHBondContact O-N 3.41Å; H100-C102 VanDerWaalsContact C-N 3.33Å; H100-C102 PolarHBondContact O-N 3.35Å; C102-V105 PolarHBondContact O-N 2.94Å; C102-S106 PolarHBondContact O-N 3.36Å; C102-H112 VanDerWaalsContact SG-CE1 3.52Å; C102-H112 PolarHBondContact SG-ND1 2.65Å; C102-H112 VanDerWaalsContact SG-ND1 3.37Å; C102-C115 HydrophobicContact CB-CB 3.76Å; C102-I119 HydrophobicContact CB-CD1 4.47Å
103A90.3Very high88.3Confident69 Ų6942.3 Ų42.357%0.5724%0.24SC*.Hα-helixtrans-63.1-44175.700000111.9E99 H100 I101 V105 S106E99-A103 PolarHBondContact O-N 2.93Å; H100-A103 PolarHBondContact O-N 3.29Å; I101-A103 VanDerWaalsContact C-N 3.27Å; I101-A103 PolarHBondContact O-N 3.33Å; A103-V105 PolarHBondContact O-N 3.07Å; A103-S106 PolarHBondContact O-OG 2.86Å
104L88.1Confident88.5Confident72 Ų7237.7 Ų37.738%0.37722%0.219SC..Hα-helixtrans-66.5-35.9179.4-65.9174000113.1H100 I101H100-L104 PolarHBondContact O-N 3.22Å; I101-L104 WeakPolarHBondContact O-CB 3.3Å; I101-L104 PolarHBondContact O-N 3.49Å; I101-L104 VanDerWaalsContact O-N 3.09Å
105V87.4Confident88.7Confident1 Ų137.7 Ų37.71%0.00622%0.219CC..Hα-helixtrans-98.11.5-175.3-52.80000114.5R74 L77 I101 C102 A103 A107 S108 A111 C115R74-V105 HydrophobicContact CB-CB 4.24Å; R74-V105 HydrophobicContact CB-CG1 4.08Å; R74-V105 HydrophobicContact CG-CG1 4.46Å; L77-V105 HydrophobicContact CD2-CG1 4.1Å; I101-V105 HydrophobicContact CG2-CG1 4.08Å; I101-V105 WeakPolarHBondContact O-CG2 3.26Å; I101-V105 PolarHBondContact O-N 3.21Å; C102-V105 PolarHBondContact O-N 2.94Å; A103-V105 PolarHBondContact O-N 3.07Å; V105-A107 PolarHBondContact O-N 3.25Å; V105-S108 PolarHBondContact O-N 3.48Å; V105-A111 HydrophobicContact CB-CB 3.63Å; V105-A111 HydrophobicContact CG1-CB 4.26Å; V105-A111 HydrophobicContact CG2-CB 3.79Å; V105-C115 HydrophobicContact CG2-CB 4.49Å; V105-C115 WeakPolarHBondContact CG2-SG 3.38Å
106S85.4Confident88.8Confident71 Ų7136 Ų3650%0.49721%0.211SC..THydrogen-bonded Turntrans-49.9-31.7-178.557.70000114.4C102 A103 S108C102-S106 PolarHBondContact O-N 3.36Å; A103-S106 PolarHBondContact O-OG 2.86Å; S106-S108 VanDerWaalsContact C-N 3.27Å; S106-S108 PolarHBondContact O-N 3.24Å
107A86.1Confident88.9Confident68 Ų6829.7 Ų29.756%0.56218%0.182SC*.THydrogen-bonded Turntrans-68.9-17.3177.200000114.7V105V105-A107 PolarHBondContact O-N 3.25Å
108S87.3Confident88.8Confident25 Ų2529 Ų2918%0.17518%0.179CC..SBendtrans-108.8114.5177.6174.40000110.5V105 S106 A110 A111 H112V105-S108 PolarHBondContact O-N 3.48Å; S106-S108 VanDerWaalsContact C-N 3.27Å; S106-S108 PolarHBondContact O-N 3.24Å; S108-A110 VanDerWaalsContact C-N 3.27Å; S108-A110 PolarHBondContact O-N 3.15Å; S108-A111 PolarHBondContact O-N 2.91Å; S108-A111 VanDerWaalsContact O-N 3.16Å; S108-H112 VanDerWaalsContact O-CB 3.3Å; S108-H112 WeakPolarHBondContact O-CB 3.4Å; S108-H112 PolarHBondContact O-N 2.88Å
109P87.7Confident88.8Confident47 Ų4729.4 Ų29.431%0.30518%0.182SC..Hα-helixtrans-58.2-36.2-177.6-24.832.7000113.9G113 S149 L153P109-G113 PolarHBondContact O-N 3.48Å; P109-S149 WeakPolarHBondContact CB-O 3.48Å; P109-L153 HydrophobicContact CB-CD2 4.21Å
110A87.7Confident88.6Confident10 Ų1024.7 Ų24.78%0.08316%0.16CC..Hα-helixtrans-68.4-44.1178.100000112.2V75 S108 L114 L153 A159V75-A110 HydrophobicContact CG2-CB 4.02Å; S108-A110 VanDerWaalsContact C-N 3.27Å; S108-A110 PolarHBondContact O-N 3.15Å; A110-L114 WeakPolarHBondContact O-CG 3.2Å; A110-L114 PolarHBondContact O-N 2.96Å; A110-L114 VanDerWaalsContact O-N 3.11Å; A110-L153 HydrophobicContact CB-CD1 3.79Å; A110-L153 HydrophobicContact CB-CD2 4.19Å; A110-A159 HydrophobicContact CB-CB 4.47Å
111A87.8Confident88.4Confident0 Ų022.8 Ų22.80%016%0.159CC..Hα-helixtrans-73.5-40.3-17900000111.8R74 V75 A78 V105 S108 L114 C115R74-A111 HydrophobicContact CB-CB 3.95Å; R74-A111 VanDerWaalsContact O-CB 3.27Å; R74-A111 WeakPolarHBondContact O-CB 3.21Å; V75-A111 HydrophobicContact CG2-CB 4.32Å; A78-A111 HydrophobicContact CB-CB 3.96Å; V105-A111 HydrophobicContact CB-CB 3.63Å; V105-A111 HydrophobicContact CG1-CB 4.26Å; V105-A111 HydrophobicContact CG2-CB 3.79Å; S108-A111 PolarHBondContact O-N 2.91Å; S108-A111 VanDerWaalsContact O-N 3.16Å; A111-L114 PolarHBondContact O-N 3.01Å; A111-C115 PolarHBondContact O-N 2.89Å; A111-C115 PolarHBondContact O-SG 3.23Å
112H89.5Confident88.2Confident46 Ų4623 Ų2321%0.21316%0.161CC..Hα-helixtrans-60.7-45.8173.7-173.962.1000111.2C102 S108 L114 C115 L116C102-H112 VanDerWaalsContact SG-CE1 3.52Å; C102-H112 PolarHBondContact SG-ND1 2.65Å; C102-H112 VanDerWaalsContact SG-ND1 3.37Å; S108-H112 VanDerWaalsContact O-CB 3.3Å; S108-H112 WeakPolarHBondContact O-CB 3.4Å; S108-H112 PolarHBondContact O-N 2.88Å; H112-L114 PolarHBondContact O-N 2.67Å; H112-C115 PolarHBondContact O-N 2.88Å; H112-L116 WeakPolarHBondContact O-CG 3.45Å; H112-L116 PolarHBondContact O-N 3.46Å
113G89Confident87.8Confident0 Ų024.3 Ų24.30%017%0.165CC..Hα-helixtrans-56-46.5173.400000112.8P109 C115 L116 I117P109-G113 PolarHBondContact O-N 3.48Å; G113-C115 PolarHBondContact O-N 2.91Å; G113-L116 PolarHBondContact O-N 3.47Å; G113-I117 WeakPolarHBondContact O-CB 3.48Å; G113-I117 VanDerWaalsContact O-CD1 3.23Å; G113-I117 WeakPolarHBondContact O-CD1 3.48Å; G113-I117 WeakPolarHBondContact O-CG1 3.46Å; G113-I117 PolarHBondContact O-N 3.2Å
114L89.7Confident87.2Confident1 Ų121.9 Ų21.91%0.00515%0.146CC..Hα-helixtrans-59.9-41.1176.6-76.1171.3000113V75 A78 L82 A110 A111 H112 I117 G118 A159 E162V75-L114 HydrophobicContact CG1-CD1 4.19Å; A78-L114 HydrophobicContact CB-CB 3.97Å; A78-L114 HydrophobicContact CB-CD1 4.25Å; L82-L114 HydrophobicContact CD2-CD2 4.33Å; A110-L114 WeakPolarHBondContact O-CG 3.2Å; A110-L114 PolarHBondContact O-N 2.96Å; A110-L114 VanDerWaalsContact O-N 3.11Å; A111-L114 PolarHBondContact O-N 3.01Å; H112-L114 PolarHBondContact O-N 2.67Å; L114-I117 PolarHBondContact O-N 3.31Å; L114-G118 PolarHBondContact O-N 2.74Å; L114-A159 HydrophobicContact CD2-CB 4.26Å; L114-A159 HydrophobicContact CG-CB 4.03Å; L114-E162 HydrophobicContact CD2-CB 3.9Å; L114-E162 HydrophobicContact CD2-CG 4.01Å
115C89.9Confident86.8Confident1 Ų123.4 Ų23.41%0.00715%0.147CC..Hα-helixtrans-66.6-45.8177.8-64.50000111.4C102 V105 A111 H112 G113 I117 G118 I119C102-C115 HydrophobicContact CB-CB 3.76Å; V105-C115 HydrophobicContact CG2-CB 4.49Å; V105-C115 WeakPolarHBondContact CG2-SG 3.38Å; A111-C115 PolarHBondContact O-N 2.89Å; A111-C115 PolarHBondContact O-SG 3.23Å; H112-C115 PolarHBondContact O-N 2.88Å; G113-C115 PolarHBondContact O-N 2.91Å; C115-I117 VanDerWaalsContact C-N 3.28Å; C115-I117 PolarHBondContact O-N 2.83Å; C115-G118 WeakPolarHBondContact O-CA 3.34Å; C115-G118 PolarHBondContact O-N 3.08Å; C115-G118 VanDerWaalsContact O-N 3.07Å; C115-I119 WeakPolarHBondContact O-CG1 3.42Å; C115-I119 PolarHBondContact O-N 3.12Å
116L91.2Very high86.2Confident7 Ų724.8 Ų24.84%0.03716%0.159CC..Hα-helixtrans-58.9-40.4175.7-68.6175000111.9H112 G113 I119 A120 L142 Q145 A146H112-L116 WeakPolarHBondContact O-CG 3.45Å; H112-L116 PolarHBondContact O-N 3.46Å; G113-L116 PolarHBondContact O-N 3.47Å; L116-I119 PolarHBondContact O-N 3.04Å; L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 2.55Å; L116-L142 HydrophobicContact CD2-CD2 3.85Å; L116-Q145 HydrophobicContact CD1-CB 3.75Å; L116-A146 HydrophobicContact CB-CB 4.04Å; L116-A146 HydrophobicContact CD1-CB 4.4Å
117I90.4Very high85.7Confident3 Ų329 Ų292%0.01516%0.164CC..Hα-helixtrans-63.5-41.9174.5-68.9157.5000111.2G113 L114 C115 A120 G121 A146 I150 E162 A166G113-I117 WeakPolarHBondContact O-CB 3.48Å; G113-I117 VanDerWaalsContact O-CD1 3.23Å; G113-I117 WeakPolarHBondContact O-CD1 3.48Å; G113-I117 WeakPolarHBondContact O-CG1 3.46Å; G113-I117 PolarHBondContact O-N 3.2Å; L114-I117 PolarHBondContact O-N 3.31Å; C115-I117 VanDerWaalsContact C-N 3.28Å; C115-I117 PolarHBondContact O-N 2.83Å; I117-A120 PolarHBondContact O-N 3.47Å; I117-G121 PolarHBondContact O-N 3.34Å; I117-A146 HydrophobicContact CD1-CB 4.42Å; I117-A146 HydrophobicContact CG1-CB 3.89Å; I117-I150 HydrophobicContact CD1-CD1 3.97Å; I117-E162 HydrophobicContact CD1-CB 4.41Å; I117-E162 HydrophobicContact CG2-CB 4.38Å; I117-A166 HydrophobicContact CG2-CB 3.61Å
118G87.8Confident84.9Confident3 Ų329.4 Ų29.43%0.03116%0.156CC..Hα-helixtrans-60.2-47.4175.200000112.4L114 C115 A120 G121 L122L114-G118 PolarHBondContact O-N 2.74Å; C115-G118 WeakPolarHBondContact O-CA 3.34Å; C115-G118 PolarHBondContact O-N 3.08Å; C115-G118 VanDerWaalsContact O-N 3.07Å; G118-A120 PolarHBondContact O-N 3Å; G118-G121 PolarHBondContact O-N 3.2Å; G118-G121 VanDerWaalsContact O-N 3.16Å; G118-L122 PolarHBondContact O-N 3.28Å
119I88.2Confident84Confident10 Ų1038 Ų385%0.05119%0.194CC..Hα-helixtrans-62-45.7176.7-61.2168.3000109.7L98 E99 C102 C115 L116 G121 L122 K123 L142L98-I119 HydrophobicContact CB-CD1 4.33Å; L98-I119 HydrophobicContact CB-CG1 3.69Å; L98-I119 HydrophobicContact CD1-CG1 4.1Å; E99-I119 HydrophobicContact CG-CD1 4.15Å; C102-I119 HydrophobicContact CB-CD1 4.47Å; C115-I119 WeakPolarHBondContact O-CG1 3.42Å; C115-I119 PolarHBondContact O-N 3.12Å; L116-I119 PolarHBondContact O-N 3.04Å; I119-G121 VanDerWaalsContact C-N 3.25Å; I119-G121 PolarHBondContact O-N 2.88Å; I119-L122 WeakPolarHBondContact O-CB 3.37Å; I119-L122 PolarHBondContact O-N 2.81Å; I119-L122 VanDerWaalsContact O-N 3.09Å; I119-K123 HydrophobicContact CG2-CG 4.32Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3.15Å; I119-L142 HydrophobicContact CB-CD1 4.14Å; I119-L142 HydrophobicContact CG2-CD1 3.58Å
120A87.5Confident83Confident0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-58-38.6175.800000112.2L116 I117 G118 K123 G124 M139 L142 L143L116-A120 WeakPolarHBondContact O-CB 3.32Å; L116-A120 PolarHBondContact O-N 2.55Å; I117-A120 PolarHBondContact O-N 3.47Å; G118-A120 PolarHBondContact O-N 3Å; A120-K123 PolarHBondContact O-N 3.44Å; A120-G124 PolarHBondContact O-N 3.27Å; A120-M139 HydrophobicContact CB-CG 4.13Å; A120-L142 HydrophobicContact CB-CB 3.88Å; A120-L142 HydrophobicContact CB-CD1 4.21Å; A120-L143 HydrophobicContact CB-CD2 4.33Å; A120-L143 HydrophobicContact CB-CG 4.27Å
121G85.9Confident82Confident31 Ų3143.7 Ų43.732%0.3223%0.229SC..Hα-helixtrans-64.7-39.3174.700000113.4I117 G118 I119 G124 R125I117-G121 PolarHBondContact O-N 3.34Å; G118-G121 PolarHBondContact O-N 3.2Å; G118-G121 VanDerWaalsContact O-N 3.16Å; I119-G121 VanDerWaalsContact C-N 3.25Å; I119-G121 PolarHBondContact O-N 2.88Å; G121-G124 PolarHBondContact O-N 3.46Å; G121-R125 PolarHBondContact O-N 2.88Å
122L85.1Confident81Confident5 Ų550.6 Ų50.63%0.02626%0.259CS..Hα-helixtrans-66-43.8174.1-66.4177.2000111.7V91 C94 H95 L98 G118 I119 G124 R125V91-L122 HydrophobicContact CG1-CB 4.47Å; C94-L122 VanDerWaalsContact C-CD1 3.5Å; C94-L122 HydrophobicContact CB-CD1 3.48Å; C94-L122 VanDerWaalsContact CB-CD1 3.48Å; C94-L122 HydrophobicContact CB-CD2 3.74Å; C94-L122 HydrophobicContact CB-CG 4.27Å; H95-L122 HydrophobicContact CB-CD1 4.35Å; L98-L122 HydrophobicContact CD1-CD1 3.63Å; L98-L122 HydrophobicContact CD1-CG 4.23Å; L98-L122 HydrophobicContact CG-CD1 4.39Å; G118-L122 PolarHBondContact O-N 3.28Å; I119-L122 WeakPolarHBondContact O-CB 3.37Å; I119-L122 PolarHBondContact O-N 2.81Å; I119-L122 VanDerWaalsContact O-N 3.09Å; L122-G124 PolarHBondContact O-N 3.36Å; L122-R125 WeakPolarHBondContact O-CB 3.48Å; L122-R125 PolarHBondContact O-N 3.39Å
123K82.7Confident80.1Confident41 Ų4149.3 Ų49.318%0.17826%0.255CS..Hα-helixtrans-60-34.7174.6-62.8-66.8-178.3-179.30111.7I119 A120 R125 A126 E135 L142I119-K123 HydrophobicContact CG2-CG 4.32Å; I119-K123 VanDerWaalsContact O-CG 3.27Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 3.15Å; A120-K123 PolarHBondContact O-N 3.44Å; K123-R125 VanDerWaalsContact C-N 3.28Å; K123-R125 PolarHBondContact O-N 3.47Å; K123-A126 WeakPolarHBondContact O-CB 3.21Å; K123-A126 PolarHBondContact O-N 2.91Å; K123-E135 HydrophobicContact CB-CB 4.23Å; K123-E135 HydrophobicContact CD-CB 4.46Å; K123-E135 WeakPolarHBondContact CD-OE1 3.11Å; K123-E135 WeakPolarHBondContact CD-OE2 3.27Å; K123-E135 IonicContact NZ-OE1 2.7Å; K123-E135 PolarHBondContact NZ-OE1 3.18Å; K123-E135 IonicContact NZ-OE2 3.68Å; K123-E135 PolarHBondContact NZ-OE2 3.44Å; K123-L142 HydrophobicContact CG-CD1 4.17Å
124G77.7Confident79.3Confident18 Ų1853 Ų5319%0.18628%0.277CS..THydrogen-bonded Turntrans-69-18.1172.200000115.1A120 G121 L122 C133A120-G124 PolarHBondContact O-N 3.27Å; G121-G124 PolarHBondContact O-N 3.46Å; L122-G124 PolarHBondContact O-N 3.36Å; G124-C133 PolarHBondContact O-SG 2.7Å
125R78.1Confident78.8Confident104 Ų10455.9 Ų55.939%0.39229%0.291SS..THydrogen-bonded Turntrans-79.9-21.5174.4-66.2173.5175.4-176.8-10.4112.6S85 R86 G121 L122 K123 R127S85-R125 PolarHBondContact O-NH1 3.34Å; S85-R125 VanDerWaalsContact O-NH1 3.12Å; R86-R125 PolarHBondContact O-NH2 2.74Å; G121-R125 PolarHBondContact O-N 2.88Å; L122-R125 WeakPolarHBondContact O-CB 3.48Å; L122-R125 PolarHBondContact O-N 3.39Å; K123-R125 VanDerWaalsContact C-N 3.28Å; K123-R125 PolarHBondContact O-N 3.47Å; R125-R127 PolarHBondContact O-N 3.27Å; R125-R127 VanDerWaalsContact O-N 3.09Å
126A75.9Confident78.4Confident30 Ų3058.5 Ų58.525%0.24830%0.304CS..  trans-66.8107.6174.300000109K123 C133 T134K123-A126 WeakPolarHBondContact O-CB 3.21Å; K123-A126 PolarHBondContact O-N 2.91Å; A126-C133 WeakPolarHBondContact O-CA 3.47Å; A126-T134 PolarHBondContact O-N 3.2Å; A126-T134 VanDerWaalsContact O-N 3.13Å
127R73.8Confident78.1Confident159 Ų15964.4 Ų64.460%0.634%0.335SS*.BIsolated β-bridgetrans-112.4138.5179.5-71.5-174.6173.7-170.8-5.2110.4R125 K132R125-R127 PolarHBondContact O-N 3.27Å; R125-R127 VanDerWaalsContact O-N 3.09Å; R127-K132 CarbonylContact C-O 3.57Å; R127-K132 VanDerWaalsContact CA-O 3.31Å; R127-K132 WeakPolarHBondContact CA-O 3.27Å
128D70.9Confident77.9Confident77 Ų7765.7 Ų65.741%0.41235%0.345SS..  trans-75.4171.8168.3-66-34000111.4N130 G131 K132 T134D128-N130 PolarHBondContact O-N 3.44Å; D128-N130 VanDerWaalsContact O-N 3.07Å; D128-G131 PolarHBondContact O-N 3.19Å; D128-K132 PolarHBondContact N-O 3Å; D128-T134 PolarHBondContact N-OG1 2.9Å; D128-T134 VanDerWaalsContact OD1-CB 3.3Å; D128-T134 WeakPolarHBondContact OD1-CB 3.47Å; D128-T134 WeakPolarHBondContact OD1-CG2 3.45Å; D128-T134 PolarHBondContact OD1-OG1 2.87Å
129E68.6Low77.9Confident206 Ų20665.8 Ų65.896%0.96335%0.345SS*.THydrogen-bonded Turntrans-52.7-29.6174.7-62.5178176.300113.2G131E129-G131 VanDerWaalsContact C-N 3.28Å; E129-G131 PolarHBondContact O-N 3.36Å
130N65.7Low77.9Confident140 Ų14070.1 Ų70.175%0.74936%0.363SS*.THydrogen-bonded Turntrans-84.25.6177.7-67.8-34.9000114.1D128 K132D128-N130 PolarHBondContact O-N 3.44Å; D128-N130 VanDerWaalsContact O-N 3.07Å; N130-K132 PolarHBondContact O-N 3.38Å
131G66.9Low78.1Confident36 Ų3675.4 Ų75.437%0.37139%0.388SS..SBendtrans73.94.3-17800000115.3D128 E129D128-G131 PolarHBondContact O-N 3.19Å; E129-G131 VanDerWaalsContact C-N 3.28Å; E129-G131 PolarHBondContact O-N 3.36Å
132K67.4Low78.3Confident145 Ų14575.2 Ų75.263%0.6338%0.38SS*.  trans-84.5150.4177.3-66.1-178.2-178.91760111R127 D128 N130 T134R127-K132 CarbonylContact C-O 3.57Å; R127-K132 VanDerWaalsContact CA-O 3.31Å; R127-K132 WeakPolarHBondContact CA-O 3.27Å; D128-K132 PolarHBondContact N-O 3Å; N130-K132 PolarHBondContact O-N 3.38Å; K132-T134 PolarHBondContact O-N 3.44Å
133C70Confident78.5Confident19 Ų1975.1 Ų75.113%0.12838%0.379CS..BIsolated β-bridgetrans-69.5121.5173.7-66.10000111.4G124 A126G124-C133 PolarHBondContact O-SG 2.7Å; A126-C133 WeakPolarHBondContact O-CA 3.47Å
134T72.1Confident79Confident76 Ų7677.1 Ų77.147%0.46639%0.392SS..THydrogen-bonded Turntrans-68.3-38.5179.1-37.80000111.7A126 D128 K132 L136A126-T134 PolarHBondContact O-N 3.2Å; A126-T134 VanDerWaalsContact O-N 3.13Å; D128-T134 PolarHBondContact N-OG1 2.9Å; D128-T134 VanDerWaalsContact OD1-CB 3.3Å; D128-T134 WeakPolarHBondContact OD1-CB 3.47Å; D128-T134 WeakPolarHBondContact OD1-CG2 3.45Å; D128-T134 PolarHBondContact OD1-OG1 2.87Å; K132-T134 PolarHBondContact O-N 3.44Å; T134-L136 PolarHBondContact O-N 3.2Å
135E79.8Confident79.6Confident63 Ų6381 Ų8129%0.29441%0.405SS..THydrogen-bonded Turntrans-103.140.2-168-66.6-177.1119.800113.6K123 I137 A138 M139K123-E135 HydrophobicContact CB-CB 4.23Å; K123-E135 HydrophobicContact CD-CB 4.46Å; K123-E135 WeakPolarHBondContact CD-OE1 3.11Å; K123-E135 WeakPolarHBondContact CD-OE2 3.27Å; K123-E135 IonicContact NZ-OE1 2.7Å; K123-E135 PolarHBondContact NZ-OE1 3.18Å; K123-E135 IonicContact NZ-OE2 3.68Å; K123-E135 PolarHBondContact NZ-OE2 3.44Å; E135-I137 VanDerWaalsContact C-N 3.3Å; E135-I137 PolarHBondContact O-N 2.98Å; E135-A138 HydrophobicContact CB-CB 4.37Å; E135-A138 PolarHBondContact O-N 3.2Å; E135-M139 WeakPolarHBondContact O-CB 3.25Å; E135-M139 PolarHBondContact O-N 2.96Å
136L81.2Confident80.1Confident55 Ų5576 Ų7629%0.28839%0.386SS..Hα-helixtrans-60.2-36.8-178-171.572.4000113.2T134 K140 Y170 E173 I174T134-L136 PolarHBondContact O-N 3.2Å; L136-K140 PolarHBondContact O-N 2.92Å; L136-K140 VanDerWaalsContact O-N 3.09Å; L136-Y170 HydrophobicContact CD1-CD2 3.62Å; L136-Y170 HydrophobicContact CD1-CE2 3.26Å; L136-Y170 HydrophobicContact CG-CE2 3.72Å; L136-Y170 WeakPolarHBondContact O-CE2 3.46Å; L136-E173 HydrophobicContact CD1-CB 4.49Å; L136-I174 HydrophobicContact CD1-CG1 3.81Å; L136-I174 HydrophobicContact CD2-CG1 3.99Å; L136-I174 HydrophobicContact CG-CG1 4.34Å
137I85.4Confident80.8Confident132 Ų13276 Ų7668%0.67739%0.386SS*.Hα-helixtrans-67.7-46179.9-62.2170.2000110.5E135 K140 Q141E135-I137 VanDerWaalsContact C-N 3.3Å; E135-I137 PolarHBondContact O-N 2.98Å; I137-K140 WeakPolarHBondContact O-CB 3.47Å; I137-K140 PolarHBondContact O-N 2.68Å; I137-Q141 WeakPolarHBondContact O-CG 3.38Å; I137-Q141 PolarHBondContact O-N 3.21Å; I137-Q141 VanDerWaalsContact O-N 3.1Å
138A86.1Confident81.6Confident29 Ų2971 Ų7124%0.2438%0.379CS..Hα-helixtrans-64.7-41.517800000111.3E135 K140 Q141 L142E135-A138 HydrophobicContact CB-CB 4.37Å; E135-A138 PolarHBondContact O-N 3.2Å; A138-K140 VanDerWaalsContact C-N 3.29Å; A138-K140 PolarHBondContact O-N 2.95Å; A138-Q141 PolarHBondContact O-N 2.94Å; A138-L142 WeakPolarHBondContact O-CG 3.27Å; A138-L142 PolarHBondContact O-N 3.34Å
139M86.6Confident82.3Confident5 Ų567.9 Ų67.93%0.02536%0.363CS..Hα-helixtrans-57.3-43174.9-169.7-179.6-174.300111.5A120 E135 L143 Y170A120-M139 HydrophobicContact CB-CG 4.13Å; E135-M139 WeakPolarHBondContact O-CB 3.25Å; E135-M139 PolarHBondContact O-N 2.96Å; M139-L143 HydrophobicContact CE-CD1 4.41Å; M139-L143 HydrophobicContact CG-CD1 4.2Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 VanDerWaalsContact O-CG 3.27Å; M139-L143 WeakPolarHBondContact O-CG 3.33Å; M139-L143 PolarHBondContact O-N 3.29Å; M139-Y170 HydrophobicContact CB-CD2 4.17Å; M139-Y170 HydrophobicContact CB-CE2 4.41Å; M139-Y170 HydrophobicContact CE-CD2 4.49Å; M139-Y170 HydrophobicContact CG-CD2 3.87Å; M139-Y170 HydrophobicContact SD-CD2 3.63Å; M139-Y170 HydrophobicContact SD-CG 4.28Å
140K89.2Confident83.1Confident101 Ų10158.4 Ų58.444%0.43932%0.319SS..Hα-helixtrans-61.3-49.7176.2-166-174.2175.9-179.30112.3L136 I137 A138 L142 L143 D144 Y170L136-K140 PolarHBondContact O-N 2.92Å; L136-K140 VanDerWaalsContact O-N 3.09Å; I137-K140 WeakPolarHBondContact O-CB 3.47Å; I137-K140 PolarHBondContact O-N 2.68Å; A138-K140 VanDerWaalsContact C-N 3.29Å; A138-K140 PolarHBondContact O-N 2.95Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.29Å; K140-L143 PolarHBondContact O-N 3.27Å; K140-D144 PolarHBondContact O-N 2.83Å; K140-Y170 HydrophobicContact CB-CE1 4.34Å; K140-Y170 HydrophobicContact CB-CE2 3.97Å; K140-Y170 VanDerWaalsContact CB-OH 3.29Å; K140-Y170 WeakPolarHBondContact CB-OH 2.9Å; K140-Y170 WeakPolarHBondContact CD-OH 3.43Å; K140-Y170 HydrophobicContact CG-CE1 4.09Å; K140-Y170 WeakPolarHBondContact CG-OH 3.24Å
141Q91.6Very high84Confident112 Ų11256.1 Ų56.152%0.52331%0.314SS..Hα-helixtrans-59.5-42.7-178.3-71.7175.1-15.100111.5I137 A138 D144 Q145I137-Q141 WeakPolarHBondContact O-CG 3.38Å; I137-Q141 PolarHBondContact O-N 3.21Å; I137-Q141 VanDerWaalsContact O-N 3.1Å; A138-Q141 PolarHBondContact O-N 2.94Å; Q141-D144 PolarHBondContact O-N 3.28Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.46Å; Q141-Q145 PolarHBondContact O-N 3.09Å
142L89.7Confident85Confident26 Ų2661.6 Ų61.614%0.13633%0.328CS..Hα-helixtrans-66.6-39.9176.7-68.5170000112.3L116 I119 A120 K123 A138 K140 Q145 A146L116-L142 HydrophobicContact CD2-CD2 3.85Å; I119-L142 HydrophobicContact CB-CD1 4.14Å; I119-L142 HydrophobicContact CG2-CD1 3.58Å; A120-L142 HydrophobicContact CB-CB 3.88Å; A120-L142 HydrophobicContact CB-CD1 4.21Å; K123-L142 HydrophobicContact CG-CD1 4.17Å; A138-L142 WeakPolarHBondContact O-CG 3.27Å; A138-L142 PolarHBondContact O-N 3.34Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.29Å; L142-Q145 PolarHBondContact O-N 2.92Å; L142-A146 WeakPolarHBondContact O-CB 3.28Å; L142-A146 PolarHBondContact O-N 2.91Å
143L90.3Very high85.6Confident4 Ų456.8 Ų56.82%0.02131%0.308CS..Hα-helixtrans-66.4-37.6175-72.7174.1000112.2A120 M139 K140 A146 A147 Y163 A166 Y170A120-L143 HydrophobicContact CB-CD2 4.33Å; A120-L143 HydrophobicContact CB-CG 4.27Å; M139-L143 HydrophobicContact CE-CD1 4.41Å; M139-L143 HydrophobicContact CG-CD1 4.2Å; M139-L143 WeakPolarHBondContact O-CB 3.32Å; M139-L143 VanDerWaalsContact O-CG 3.27Å; M139-L143 WeakPolarHBondContact O-CG 3.33Å; M139-L143 PolarHBondContact O-N 3.29Å; K140-L143 PolarHBondContact O-N 3.27Å; L143-A146 PolarHBondContact O-N 3.41Å; L143-A147 WeakPolarHBondContact O-CB 3.35Å; L143-A147 PolarHBondContact O-N 2.8Å; L143-Y163 HydrophobicContact CB-CE2 4.45Å; L143-Y163 HydrophobicContact CD2-CD2 4.31Å; L143-Y163 HydrophobicContact CD2-CE2 4.35Å; L143-Y163 WeakPolarHBondContact O-CE2 3.24Å; L143-A166 HydrophobicContact CD2-CB 3.89Å; L143-Y170 HydrophobicContact CD1-CD1 4.04Å; L143-Y170 HydrophobicContact CD1-CD2 4.32Å; L143-Y170 HydrophobicContact CD1-CG 3.72Å
144D91.8Very high85.9Confident82 Ų8266.2 Ų66.244%0.43935%0.347SS..Hα-helixtrans-66.9-40.4176.2-71.3-22.5000110.9K140 Q141 A147 A148K140-D144 PolarHBondContact O-N 2.83Å; Q141-D144 PolarHBondContact O-N 3.28Å; D144-A147 PolarHBondContact O-N 2.99Å; D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 3.42Å
145Q91Very high86.1Confident99 Ų9966.1 Ų66.146%0.46335%0.35SS..Hα-helixtrans-65.3-41172.8-70.5173.72000112.4L116 Q141 L142 A148 S149L116-Q145 HydrophobicContact CD1-CB 3.75Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.46Å; Q141-Q145 PolarHBondContact O-N 3.09Å; L142-Q145 PolarHBondContact O-N 2.92Å; Q145-A148 PolarHBondContact O-N 3.4Å; Q145-S149 PolarHBondContact O-N 3.12Å; Q145-S149 PolarHBondContact O-OG 3.26Å
146A89Confident86Confident0 Ų068.1 Ų68.10%037%0.366CS..Hα-helixtrans-62.7-43.8174.600000110.7L116 I117 L142 L143 A148 S149 I150 Y163L116-A146 HydrophobicContact CB-CB 4.04Å; L116-A146 HydrophobicContact CD1-CB 4.4Å; I117-A146 HydrophobicContact CD1-CB 4.42Å; I117-A146 HydrophobicContact CG1-CB 3.89Å; L142-A146 WeakPolarHBondContact O-CB 3.28Å; L142-A146 PolarHBondContact O-N 2.91Å; L143-A146 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 2.92Å; A146-S149 PolarHBondContact O-N 3.08Å; A146-S149 VanDerWaalsContact O-N 3.16Å; A146-I150 WeakPolarHBondContact O-CB 3.2Å; A146-I150 WeakPolarHBondContact O-CG1 3.31Å; A146-I150 PolarHBondContact O-N 3.29Å; A146-Y163 HydrophobicContact CB-CD2 4.32Å
147A90.2Very high85.9Confident29 Ų2967.6 Ų67.624%0.2437%0.365CS..Hα-helixtrans-60.4-42.6176.100000112L143 D144 S149 I150 S151 Y163L143-A147 WeakPolarHBondContact O-CB 3.35Å; L143-A147 PolarHBondContact O-N 2.8Å; D144-A147 PolarHBondContact O-N 2.99Å; A147-S149 VanDerWaalsContact C-N 3.29Å; A147-S149 PolarHBondContact O-N 3.01Å; A147-I150 PolarHBondContact O-N 3.1Å; A147-S151 WeakPolarHBondContact O-CB 3.36Å; A147-S151 PolarHBondContact O-N 3.42Å; A147-S151 PolarHBondContact O-OG 3.23Å; A147-Y163 HydrophobicContact CB-CE2 3.77Å
148A89.9Confident85.8Confident54 Ų5465.1 Ų65.145%0.44636%0.356SS..Hα-helixtrans-67.2-28.5176.600000113.3D144 Q145 A146 S151D144-A148 WeakPolarHBondContact O-CB 3.42Å; D144-A148 PolarHBondContact O-N 3.42Å; Q145-A148 PolarHBondContact O-N 3.4Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 2.92Å; A148-S151 PolarHBondContact O-OG 3.14Å; A148-S151 VanDerWaalsContact O-OG 3.08Å
149S86.8Confident85.7Confident13 Ų1363.9 Ų63.99%0.09135%0.345CS..Hα-helixtrans-77.6-41.6174.6-60.50000111.4P109 Q145 A146 A147 K152P109-S149 WeakPolarHBondContact CB-O 3.48Å; Q145-S149 PolarHBondContact O-N 3.12Å; Q145-S149 PolarHBondContact O-OG 3.26Å; A146-S149 PolarHBondContact O-N 3.08Å; A146-S149 VanDerWaalsContact O-N 3.16Å; A147-S149 VanDerWaalsContact C-N 3.29Å; A147-S149 PolarHBondContact O-N 3.01Å; S149-K152 WeakPolarHBondContact O-CB 3.45Å; S149-K152 PolarHBondContact O-N 3.13Å
150I85.6Confident85.7Confident6 Ų664.9 Ų64.93%0.03135%0.35CS..Hα-helixtrans-73.2-33.5-178.4-69.4168.1000111.5I117 A146 A147 K152 L153 A159 H160 Y163I117-I150 HydrophobicContact CD1-CD1 3.97Å; A146-I150 WeakPolarHBondContact O-CB 3.2Å; A146-I150 WeakPolarHBondContact O-CG1 3.31Å; A146-I150 PolarHBondContact O-N 3.29Å; A147-I150 PolarHBondContact O-N 3.1Å; I150-K152 PolarHBondContact O-N 3.49Å; I150-K152 VanDerWaalsContact O-N 3.1Å; I150-L153 HydrophobicContact CG2-CD1 4.48Å; I150-L153 VanDerWaalsContact O-CB 3.25Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.88Å; I150-A159 HydrophobicContact CD1-CB 4.13Å; I150-A159 WeakPolarHBondContact CD1-O 3.24Å; I150-A159 HydrophobicContact CG1-CB 4.13Å; I150-H160 WeakPolarHBondContact CG2-CD2 3.29Å; I150-H160 VanDerWaalsContact CG2-CE1 3.45Å; I150-H160 WeakPolarHBondContact CG2-CE1 3.45Å; I150-H160 WeakPolarHBondContact CG2-NE2 3.18Å; I150-Y163 HydrophobicContact CD1-CD2 4.34Å; I150-Y163 HydrophobicContact CD1-CG 4.03Å
151S84.4Confident85.6Confident92 Ų9261 Ų6164%0.64334%0.335SS*.THydrogen-bonded Turntrans-61.8-19.2177.4660000113.9A147 A148 L153A147-S151 WeakPolarHBondContact O-CB 3.36Å; A147-S151 PolarHBondContact O-N 3.42Å; A147-S151 PolarHBondContact O-OG 3.23Å; A148-S151 PolarHBondContact O-OG 3.14Å; A148-S151 VanDerWaalsContact O-OG 3.08Å; S151-L153 VanDerWaalsContact C-N 3.27Å
152K86.1Confident85.4Confident152 Ų15257 Ų5766%0.66132%0.317SS*.THydrogen-bonded Turntrans-75.3-17.3173.8-61.7172.6-176.7176.10112.6S149 I150S149-K152 WeakPolarHBondContact O-CB 3.45Å; S149-K152 PolarHBondContact O-N 3.13Å; I150-K152 PolarHBondContact O-N 3.49Å; I150-K152 VanDerWaalsContact O-N 3.1Å
153L81.7Confident85.4Confident43 Ų4357 Ų5723%0.22532%0.315CS..  trans-80.7133.9178.9-57.5174.2000109.7P109 A110 I150 S151P109-L153 HydrophobicContact CB-CD2 4.21Å; A110-L153 HydrophobicContact CB-CD1 3.79Å; A110-L153 HydrophobicContact CB-CD2 4.19Å; I150-L153 HydrophobicContact CG2-CD1 4.48Å; I150-L153 VanDerWaalsContact O-CB 3.25Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 2.88Å; S151-L153 VanDerWaalsContact C-N 3.27Å
154K75.7Confident85.5Confident218 Ų21857.2 Ų57.295%0.94832%0.316SS*.SBendtrans-82.8-23179.7-64.4-177.4179.4-179.70113.4
155S76.9Confident85.4Confident73 Ų7357.8 Ų57.851%0.5132%0.315SS..SBendtrans-115.8150.7-175.9610000111.5T157 H160S155-T157 PolarHBondContact O-N 3.31Å; S155-H160 PolarHBondContact O-CE1 2.98Å
156V76.9Confident85.2Confident106 Ų10653.8 Ų53.864%0.64230%0.298SS*.  trans-65.1129.1168.9-177.30000108.2H160 T190V156-H160 HydrophobicContact CG1-CB 4.27Å; V156-T190 HydrophobicContact CG1-CG2 3.87Å
157T80.1Confident85.3Confident44 Ų4453.8 Ų53.827%0.2730%0.299SS..  trans-134.7170.3-176.555.80000109.7S155 A159 H160 S161S155-T157 PolarHBondContact O-N 3.31Å; T157-A159 PolarHBondContact O-N 3.25Å; T157-A159 VanDerWaalsContact O-N 3.1Å; T157-H160 PolarHBondContact N-ND1 3.35Å; T157-H160 WeakPolarHBondContact O-CB 3.34Å; T157-H160 PolarHBondContact O-N 2.9Å; T157-H160 PolarHBondContact OG1-ND1 2.91Å; T157-S161 PolarHBondContact O-N 2.93Å
158V82.5Confident85.3Confident80 Ų8052.9 Ų52.949%0.48529%0.291SS..Hα-helixtrans-54.1-28.8173-175.90000112.4H160 S161 E162V158-H160 VanDerWaalsContact C-N 3.29Å; V158-H160 PolarHBondContact O-N 3.39Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.26Å; V158-E162 HydrophobicContact CG1-CG 4.42Å; V158-E162 PolarHBondContact O-N 3.3Å; V158-E162 VanDerWaalsContact O-N 3.11Å
159A84.2Confident85.2Confident2 Ų252.6 Ų52.62%0.01729%0.285CS..Hα-helixtrans-63.4-34.6174.500000112.7A110 L114 I150 T157 Y163A110-A159 HydrophobicContact CB-CB 4.47Å; L114-A159 HydrophobicContact CD2-CB 4.26Å; L114-A159 HydrophobicContact CG-CB 4.03Å; I150-A159 HydrophobicContact CD1-CB 4.13Å; I150-A159 WeakPolarHBondContact CD1-O 3.24Å; I150-A159 HydrophobicContact CG1-CB 4.13Å; T157-A159 PolarHBondContact O-N 3.25Å; T157-A159 VanDerWaalsContact O-N 3.1Å; A159-Y163 WeakPolarHBondContact O-CB 3.42Å; A159-Y163 PolarHBondContact O-N 3.16Å
160H86.8Confident85.3Confident27 Ų2752.7 Ų52.713%0.12528%0.284CS..Hα-helixtrans-69.6-44.6177.6-69.883.2000111.8I150 S155 V156 T157 V158 Y163 F164I150-H160 WeakPolarHBondContact CG2-CD2 3.29Å; I150-H160 VanDerWaalsContact CG2-CE1 3.45Å; I150-H160 WeakPolarHBondContact CG2-CE1 3.45Å; I150-H160 WeakPolarHBondContact CG2-NE2 3.18Å; S155-H160 PolarHBondContact O-CE1 2.98Å; V156-H160 HydrophobicContact CG1-CB 4.27Å; T157-H160 PolarHBondContact N-ND1 3.35Å; T157-H160 WeakPolarHBondContact O-CB 3.34Å; T157-H160 PolarHBondContact O-N 2.9Å; T157-H160 PolarHBondContact OG1-ND1 2.91Å; V158-H160 VanDerWaalsContact C-N 3.29Å; V158-H160 PolarHBondContact O-N 3.39Å; H160-Y163 PolarHBondContact O-N 3.01Å; H160-F164 HydrophobicContact CB-CE2 3.99Å; H160-F164 HydrophobicContact CB-CZ 4.35Å; H160-F164 WeakPolarHBondContact O-CD2 3.45Å; H160-F164 VanDerWaalsContact O-CG 3.22Å; H160-F164 WeakPolarHBondContact O-CG 3.26Å; H160-F164 PolarHBondContact O-N 3.06Å
161S86.9Confident85.5Confident18 Ų1854.3 Ų54.313%0.12629%0.29CS..Hα-helixtrans-62.8-46.5178.959.30000110.8T157 V158 Y163 F164 K165 Y187 T190T157-S161 PolarHBondContact O-N 2.93Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.26Å; S161-Y163 VanDerWaalsContact C-N 3.33Å; S161-Y163 PolarHBondContact O-N 3.44Å; S161-F164 PolarHBondContact O-N 3.1Å; S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 PolarHBondContact O-N 2.62Å; S161-Y187 WeakPolarHBondContact O-CD2 3.3Å; S161-T190 VanDerWaalsContact CB-OG1 3.28Å; S161-T190 WeakPolarHBondContact CB-OG1 3.49Å
162E87.2Confident85.5Confident30 Ų3054.2 Ų54.214%0.1428%0.276CS..Hα-helixtrans-64.5-36.5176.6-71.8-65.2176.600112.6L82 R86 L114 I117 V158 K165 A166L82-E162 HydrophobicContact CD2-CG 4.28Å; R86-E162 IonicContact CZ-OE1 3.98Å; R86-E162 IonicContact CZ-OE2 2.6Å; R86-E162 IonicContact NH1-OE1 3.13Å; R86-E162 PolarHBondContact NH1-OE1 3.39Å; R86-E162 IonicContact NH1-OE2 3.48Å; R86-E162 PolarHBondContact NH1-OE2 2.86Å; R86-E162 IonicContact NH2-OE1 3.33Å; R86-E162 IonicContact NH2-OE2 3.4Å; R86-E162 PolarHBondContact NH2-OE2 3.44Å; L114-E162 HydrophobicContact CD2-CB 3.9Å; L114-E162 HydrophobicContact CD2-CG 4.01Å; I117-E162 HydrophobicContact CD1-CB 4.41Å; I117-E162 HydrophobicContact CG2-CB 4.38Å; V158-E162 HydrophobicContact CG1-CG 4.42Å; V158-E162 PolarHBondContact O-N 3.3Å; V158-E162 VanDerWaalsContact O-N 3.11Å; E162-K165 PolarHBondContact O-N 2.97Å; E162-A166 WeakPolarHBondContact O-CB 3.19Å; E162-A166 PolarHBondContact O-N 2.87Å
163Y90.4Very high85.5Confident25 Ų2549.9 Ų49.910%0.09826%0.258CS..Hα-helixtrans-63.3-46.4174.1170.6-103.3000112.1L143 A146 A147 I150 A159 H160 S161 K165 A166 S167L143-Y163 HydrophobicContact CB-CE2 4.45Å; L143-Y163 HydrophobicContact CD2-CD2 4.31Å; L143-Y163 HydrophobicContact CD2-CE2 4.35Å; L143-Y163 WeakPolarHBondContact O-CE2 3.24Å; A146-Y163 HydrophobicContact CB-CD2 4.32Å; A147-Y163 HydrophobicContact CB-CE2 3.77Å; I150-Y163 HydrophobicContact CD1-CD2 4.34Å; I150-Y163 HydrophobicContact CD1-CG 4.03Å; A159-Y163 WeakPolarHBondContact O-CB 3.42Å; A159-Y163 PolarHBondContact O-N 3.16Å; H160-Y163 PolarHBondContact O-N 3.01Å; S161-Y163 VanDerWaalsContact C-N 3.33Å; S161-Y163 PolarHBondContact O-N 3.44Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 3.3Å; Y163-A166 PolarHBondContact O-N 3.21Å; Y163-S167 WeakPolarHBondContact CE2-OG 3.35Å; Y163-S167 VanDerWaalsContact CZ-OG 3.25Å; Y163-S167 WeakPolarHBondContact O-CB 3.11Å; Y163-S167 PolarHBondContact O-N 2.78Å; Y163-S167 PolarHBondContact O-OG 2.78Å
164F90.9Very high85.7Confident9 Ų951.2 Ų51.24%0.03926%0.264CS..Hα-helixtrans-64-39.1178.6-62.2-36.4000111.3H160 S161 A168 Q183 R186 T190H160-F164 HydrophobicContact CB-CE2 3.99Å; H160-F164 HydrophobicContact CB-CZ 4.35Å; H160-F164 WeakPolarHBondContact O-CD2 3.45Å; H160-F164 VanDerWaalsContact O-CG 3.22Å; H160-F164 WeakPolarHBondContact O-CG 3.26Å; H160-F164 PolarHBondContact O-N 3.06Å; S161-F164 PolarHBondContact O-N 3.1Å; F164-A168 VanDerWaalsContact O-CB 3.26Å; F164-A168 WeakPolarHBondContact O-CB 3.49Å; F164-A168 PolarHBondContact O-N 3.35Å; F164-Q183 VanDerWaalsContact CD1-OE1 3.28Å; F164-R186 HydrophobicContact CB-CB 4.47Å; F164-R186 HydrophobicContact CD1-CB 4.05Å; F164-R186 HydrophobicContact CD2-CB 3.81Å; F164-R186 HydrophobicContact CE1-CB 4.3Å; F164-R186 VanDerWaalsContact CE1-NE 3.32Å; F164-R186 VanDerWaalsContact CE1-NH2 3.33Å; F164-R186 HydrophobicContact CE2-CB 4.03Å; F164-R186 HydrophobicContact CG-CB 3.84Å; F164-R186 HydrophobicContact CZ-CB 4.29Å; F164-R186 VanDerWaalsContact CZ-CZ 3.42Å; F164-R186 VanDerWaalsContact CZ-NH2 3.33Å; F164-T190 HydrophobicContact CD2-CG2 3.9Å; F164-T190 HydrophobicContact CE2-CG2 3.8Å
165K89.6Confident86Confident94 Ų9442 Ų4241%0.40923%0.231SC..Hα-helixtrans-61.9-49.6175-170177.1-176.8172.10112.2S161 E162 Y163 A168 S169 Y187S161-K165 WeakPolarHBondContact O-CB 3.34Å; S161-K165 PolarHBondContact O-N 2.62Å; E162-K165 PolarHBondContact O-N 2.97Å; Y163-K165 VanDerWaalsContact C-N 3.31Å; Y163-K165 PolarHBondContact O-N 3.3Å; K165-A168 PolarHBondContact O-N 3.11Å; K165-S169 PolarHBondContact O-N 3.09Å; K165-Y187 HydrophobicContact CB-CD2 3.81Å; K165-Y187 HydrophobicContact CB-CE2 3.74Å; K165-Y187 HydrophobicContact CB-CG 4.42Å; K165-Y187 HydrophobicContact CD-CE2 4.03Å; K165-Y187 HydrophobicContact CG-CE2 4.18Å
166A88.6Confident86.5Confident14 Ų1440 Ų4012%0.11622%0.215CC..Hα-helixtrans-67.3-39.7179.700000112.2I117 L143 E162 Y163 S169 Y170I117-A166 HydrophobicContact CG2-CB 3.61Å; L143-A166 HydrophobicContact CD2-CB 3.89Å; E162-A166 WeakPolarHBondContact O-CB 3.19Å; E162-A166 PolarHBondContact O-N 2.87Å; Y163-A166 PolarHBondContact O-N 3.21Å; A166-S169 WeakPolarHBondContact O-CB 3.47Å; A166-S169 PolarHBondContact O-N 2.95Å; A166-Y170 PolarHBondContact O-N 3.45Å
167S90.4Very high87.1Confident1 Ų136.4 Ų36.41%0.00719%0.19CC..Hα-helixtrans-64.6-39.5174.9-62.40000111.9Y163 Y170 Y171Y163-S167 WeakPolarHBondContact CE2-OG 3.35Å; Y163-S167 VanDerWaalsContact CZ-OG 3.25Å; Y163-S167 WeakPolarHBondContact O-CB 3.11Å; Y163-S167 PolarHBondContact O-N 2.78Å; Y163-S167 PolarHBondContact O-OG 2.78Å; S167-Y170 WeakPolarHBondContact O-CB 3.39Å; S167-Y170 PolarHBondContact O-N 3Å; S167-Y171 WeakPolarHBondContact O-CD2 3.25Å; S167-Y171 PolarHBondContact O-N 3.11Å
168A89.3Confident87.5Confident9 Ų934.6 Ų34.67%0.07418%0.179CC..Hα-helixtrans-61.1-47.6172.500000110.3F164 K165 Y170 Y171 R172 Y180 Q183 A184F164-A168 VanDerWaalsContact O-CB 3.26Å; F164-A168 WeakPolarHBondContact O-CB 3.49Å; F164-A168 PolarHBondContact O-N 3.35Å; K165-A168 PolarHBondContact O-N 3.11Å; A168-Y170 VanDerWaalsContact C-N 3.3Å; A168-Y170 PolarHBondContact O-N 2.91Å; A168-Y171 PolarHBondContact O-N 3.06Å; A168-R172 WeakPolarHBondContact O-CB 3.49Å; A168-R172 PolarHBondContact O-N 3.15Å; A168-Y180 HydrophobicContact CB-CD2 3.91Å; A168-Y180 HydrophobicContact CB-CE2 3.97Å; A168-Y180 VanDerWaalsContact O-CD2 3.22Å; A168-Y180 WeakPolarHBondContact O-CD2 3.32Å; A168-Q183 HydrophobicContact CB-CB 4.16Å; A168-A184 HydrophobicContact CB-CB 4.49Å
169S87.6Confident87.8Confident48 Ų4836.5 Ų36.534%0.33618%0.178SC..Hα-helixtrans-55.5-45.8175.1-164.10000111.9K165 A166 R172 E173K165-S169 PolarHBondContact O-N 3.09Å; A166-S169 WeakPolarHBondContact O-CB 3.47Å; A166-S169 PolarHBondContact O-N 2.95Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 3.37Å; S169-E173 WeakPolarHBondContact O-CG 3.28Å; S169-E173 PolarHBondContact O-N 2.95Å
170Y89.3Confident88.2Confident16 Ų1637.3 Ų37.36%0.06318%0.18CC..Hα-helixtrans-58.5-51.9177.1173.4-111000113.2L136 M139 K140 L143 A166 S167 A168 R172 E173 I174L136-Y170 HydrophobicContact CD1-CD2 3.62Å; L136-Y170 HydrophobicContact CD1-CE2 3.26Å; L136-Y170 HydrophobicContact CG-CE2 3.72Å; L136-Y170 WeakPolarHBondContact O-CE2 3.46Å; M139-Y170 HydrophobicContact CB-CD2 4.17Å; M139-Y170 HydrophobicContact CB-CE2 4.41Å; M139-Y170 HydrophobicContact CE-CD2 4.49Å; M139-Y170 HydrophobicContact CG-CD2 3.87Å; M139-Y170 HydrophobicContact SD-CD2 3.63Å; M139-Y170 HydrophobicContact SD-CG 4.28Å; K140-Y170 HydrophobicContact CB-CE1 4.34Å; K140-Y170 HydrophobicContact CB-CE2 3.97Å; K140-Y170 VanDerWaalsContact CB-OH 3.29Å; K140-Y170 WeakPolarHBondContact CB-OH 2.9Å; K140-Y170 WeakPolarHBondContact CD-OH 3.43Å; K140-Y170 HydrophobicContact CG-CE1 4.09Å; K140-Y170 WeakPolarHBondContact CG-OH 3.24Å; L143-Y170 HydrophobicContact CD1-CD1 4.04Å; L143-Y170 HydrophobicContact CD1-CD2 4.32Å; L143-Y170 HydrophobicContact CD1-CG 3.72Å; A166-Y170 PolarHBondContact O-N 3.45Å; S167-Y170 WeakPolarHBondContact O-CB 3.39Å; S167-Y170 PolarHBondContact O-N 3Å; A168-Y170 VanDerWaalsContact C-N 3.3Å; A168-Y170 PolarHBondContact O-N 2.91Å; Y170-R172 PolarHBondContact O-N 2.92Å; Y170-E173 PolarHBondContact O-N 3.39Å; Y170-E173 VanDerWaalsContact O-N 3.13Å; Y170-I174 HydrophobicContact CD1-CD1 3.68Å; Y170-I174 HydrophobicContact CD2-CD1 4.27Å; Y170-I174 HydrophobicContact CE1-CD1 3.14Å; Y170-I174 HydrophobicContact CE1-CG1 4.35Å; Y170-I174 HydrophobicContact CE2-CD1 3.82Å; Y170-I174 HydrophobicContact CE2-CG1 4.26Å; Y170-I174 HydrophobicContact CG-CD1 4.2Å; Y170-I174 WeakPolarHBondContact O-CG1 3.28Å; Y170-I174 PolarHBondContact O-N 3.03Å; Y170-I174 VanDerWaalsContact O-N 3.13Å; Y170-I174 WeakPolarHBondContact OH-CD1 3.29Å
171Y89.6Confident88.2Confident39 Ų3936.2 Ų36.215%0.15318%0.176CC..Hα-helixtrans-66.3-26.2-179.3-70.4-56000113.1S167 A168 I174 G175 D176 R179 Q183S167-Y171 WeakPolarHBondContact O-CD2 3.25Å; S167-Y171 PolarHBondContact O-N 3.11Å; A168-Y171 PolarHBondContact O-N 3.06Å; Y171-I174 HydrophobicContact CD1-CD1 3.89Å; Y171-I174 HydrophobicContact CE1-CD1 4.36Å; Y171-G175 PolarHBondContact O-N 3.05Å; Y171-D176 HydrophobicContact CD1-CB 4.31Å; Y171-D176 PolarHBondContact O-N 3.17Å; Y171-R179 HydrophobicContact CD1-CB 3.63Å; Y171-R179 HydrophobicContact CD1-CG 4.41Å; Y171-R179 HydrophobicContact CD2-CB 3.71Å; Y171-R179 HydrophobicContact CE1-CB 3.84Å; Y171-R179 HydrophobicContact CE1-CG 4.25Å; Y171-R179 HydrophobicContact CE2-CB 3.91Å; Y171-R179 HydrophobicContact CG-CB 3.58Å; Y171-Q183 HydrophobicContact CD2-CG 3.85Å; Y171-Q183 HydrophobicContact CE2-CG 3.79Å
172R85.9Confident88.3Confident91 Ų9140.8 Ų40.834%0.34319%0.193SC..Hα-helixtrans-64.5-47.4171.2-171.4-171.869.6174.40.9111.1A168 S169 Y170 I174 G175 Y180A168-R172 WeakPolarHBondContact O-CB 3.49Å; A168-R172 PolarHBondContact O-N 3.15Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 3.37Å; Y170-R172 PolarHBondContact O-N 2.92Å; R172-I174 VanDerWaalsContact C-N 3.27Å; R172-I174 PolarHBondContact O-N 3.26Å; R172-G175 PolarHBondContact O-N 3.48Å; R172-Y180 HydrophobicContact CB-CD2 4Å; R172-Y180 HydrophobicContact CB-CE2 4.26Å
173E84.3Confident88.5Confident61 Ų6140.3 Ų40.329%0.28519%0.191SC..Hα-helixtrans-64.8-31.2179.2-59.8-56.214000112.3L136 S169 Y170 G175L136-E173 HydrophobicContact CD1-CB 4.49Å; S169-E173 WeakPolarHBondContact O-CG 3.28Å; S169-E173 PolarHBondContact O-N 2.95Å; Y170-E173 PolarHBondContact O-N 3.39Å; Y170-E173 VanDerWaalsContact O-N 3.13Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.11Å
174I86.5Confident88.4Confident71 Ų7139.3 Ų39.336%0.36419%0.188SC..Hα-helixtrans-70.4-25.9172.4-61.5164.8000112.2L136 Y170 Y171 R172 D176L136-I174 HydrophobicContact CD1-CG1 3.81Å; L136-I174 HydrophobicContact CD2-CG1 3.99Å; L136-I174 HydrophobicContact CG-CG1 4.34Å; Y170-I174 HydrophobicContact CD1-CD1 3.68Å; Y170-I174 HydrophobicContact CD2-CD1 4.27Å; Y170-I174 HydrophobicContact CE1-CD1 3.14Å; Y170-I174 HydrophobicContact CE1-CG1 4.35Å; Y170-I174 HydrophobicContact CE2-CD1 3.82Å; Y170-I174 HydrophobicContact CE2-CG1 4.26Å; Y170-I174 HydrophobicContact CG-CD1 4.2Å; Y170-I174 WeakPolarHBondContact O-CG1 3.28Å; Y170-I174 PolarHBondContact O-N 3.03Å; Y170-I174 VanDerWaalsContact O-N 3.13Å; Y170-I174 WeakPolarHBondContact OH-CD1 3.29Å; Y171-I174 HydrophobicContact CD1-CD1 3.89Å; Y171-I174 HydrophobicContact CE1-CD1 4.36Å; R172-I174 VanDerWaalsContact C-N 3.27Å; R172-I174 PolarHBondContact O-N 3.26Å; I174-D176 HydrophobicContact CG2-CB 4.23Å
175G82.7Confident88.3Confident24 Ų2442 Ų4225%0.24720%0.202CC..THydrogen-bonded Turntrans77.822-167.600000113.9Y171 R172 E173 F177Y171-G175 PolarHBondContact O-N 3.05Å; R172-G175 PolarHBondContact O-N 3.48Å; E173-G175 VanDerWaalsContact C-N 3.28Å; E173-G175 PolarHBondContact O-N 3.11Å; G175-F177 WeakPolarHBondContact O-CD2 3.31Å; G175-F177 PolarHBondContact O-N 3.02Å
176D88Confident88.2Confident31 Ų3143.1 Ų43.117%0.16620%0.204CC..  trans-89.884172.6-173.2-19.1000110.7Y171 I174 T178 R179 Y180Y171-D176 HydrophobicContact CD1-CB 4.31Å; Y171-D176 PolarHBondContact O-N 3.17Å; I174-D176 HydrophobicContact CG2-CB 4.23Å; D176-T178 VanDerWaalsContact C-N 3.26Å; D176-T178 PolarHBondContact O-N 2.97Å; D176-T178 PolarHBondContact OD1-N 2.92Å; D176-R179 PolarHBondContact O-N 3.25Å; D176-R179 PolarHBondContact OD1-N 3.33Å; D176-R179 WeakPolarHBondContact OD2-CD 3.34Å; D176-R179 VanDerWaalsContact OD2-CG 3.3Å; D176-R179 WeakPolarHBondContact OD2-CG 3.47Å; D176-R179 IonicContact OD2-CZ 2.83Å; D176-R179 IonicContact OD2-NE 2.92Å; D176-R179 IonicContact OD2-NH1 3.73Å; D176-R179 PolarHBondContact OD2-NH1 2.96Å; D176-Y180 VanDerWaalsContact O-CB 3.3Å; D176-Y180 WeakPolarHBondContact O-CB 3.34Å; D176-Y180 PolarHBondContact O-N 3.41Å
177F88Confident88.1Confident30 Ų3044.7 Ų44.713%0.13221%0.207CC..Hα-helixtrans-62.9-30.2-177.8-60.5-69.6000113.7G175 L181 A211 L214G175-F177 WeakPolarHBondContact O-CD2 3.31Å; G175-F177 PolarHBondContact O-N 3.02Å; F177-L181 VanDerWaalsContact O-CB 3.28Å; F177-L181 WeakPolarHBondContact O-CB 3.07Å; F177-L181 PolarHBondContact O-N 2.97Å; F177-A211 HydrophobicContact CB-CB 4.23Å; F177-A211 HydrophobicContact CD1-CB 4.08Å; F177-L214 HydrophobicContact CB-CB 4.19Å; F177-L214 HydrophobicContact CD1-CB 4.39Å; F177-L214 HydrophobicContact CD1-CD1 4.43Å; F177-L214 HydrophobicContact CD2-CB 3.45Å; F177-L214 VanDerWaalsContact CD2-CB 3.45Å; F177-L214 HydrophobicContact CD2-CD1 4.02Å; F177-L214 HydrophobicContact CD2-CG 4.39Å; F177-L214 HydrophobicContact CE1-CD1 4.01Å; F177-L214 HydrophobicContact CE2-CB 3.87Å; F177-L214 HydrophobicContact CE2-CD1 3.54Å; F177-L214 HydrophobicContact CE2-CG 4.35Å; F177-L214 HydrophobicContact CG-CB 3.75Å; F177-L214 HydrophobicContact CG-CD1 4.43Å; F177-L214 HydrophobicContact CZ-CB 4.49Å; F177-L214 HydrophobicContact CZ-CD1 3.54Å
178T87.9Confident87.9Confident7 Ų745.3 Ų45.34%0.04321%0.21CC..Hα-helixtrans-68.7-47.2179.8-66.60000111D176 K182 S215 D216 K217 I218D176-T178 VanDerWaalsContact C-N 3.26Å; D176-T178 PolarHBondContact O-N 2.97Å; D176-T178 PolarHBondContact OD1-N 2.92Å; T178-K182 WeakPolarHBondContact O-CG 3.22Å; T178-K182 PolarHBondContact O-N 3.47Å; T178-S215 WeakPolarHBondContact OG1-CA 3.45Å; T178-S215 VanDerWaalsContact OG1-CB 3.31Å; T178-S215 WeakPolarHBondContact OG1-CB 3.48Å; T178-D216 WeakPolarHBondContact CB-OD1 3.46Å; T178-D216 PolarHBondContact OG1-N 3.44Å; T178-D216 PolarHBondContact OG1-OD1 2.97Å; T178-K217 HydrophobicContact CG2-CB 3.92Å; T178-K217 HydrophobicContact CG2-CD 4.25Å; T178-K217 HydrophobicContact CG2-CG 4.43Å; T178-I218 HydrophobicContact CG2-CD1 4.38Å; T178-I218 HydrophobicContact CG2-CG1 4.47Å
179R89.9Confident87.6Confident120 Ų12049.5 Ų49.545%0.45324%0.239SC..Hα-helixtrans-72.6-38.1177.2-68.8-173.3176.682.8-9.1111.3Y171 D176 K182 Q183Y171-R179 HydrophobicContact CD1-CB 3.63Å; Y171-R179 HydrophobicContact CD1-CG 4.41Å; Y171-R179 HydrophobicContact CD2-CB 3.71Å; Y171-R179 HydrophobicContact CE1-CB 3.84Å; Y171-R179 HydrophobicContact CE1-CG 4.25Å; Y171-R179 HydrophobicContact CE2-CB 3.91Å; Y171-R179 HydrophobicContact CG-CB 3.58Å; D176-R179 PolarHBondContact O-N 3.25Å; D176-R179 PolarHBondContact OD1-N 3.33Å; D176-R179 WeakPolarHBondContact OD2-CD 3.34Å; D176-R179 VanDerWaalsContact OD2-CG 3.3Å; D176-R179 WeakPolarHBondContact OD2-CG 3.47Å; D176-R179 IonicContact OD2-CZ 2.83Å; D176-R179 IonicContact OD2-NE 2.92Å; D176-R179 IonicContact OD2-NH1 3.73Å; D176-R179 PolarHBondContact OD2-NH1 2.96Å; R179-K182 PolarHBondContact O-N 3.37Å; R179-Q183 WeakPolarHBondContact O-CG 3.38Å; R179-Q183 PolarHBondContact O-N 2.93Å
180Y91.5Very high87.3Confident18 Ų1849.2 Ų49.27%0.07124%0.235CC..Hα-helixtrans-53.9-55.3172.3168.3-102.8000111.5A168 R172 D176 K182 Q183 A184 A211A168-Y180 HydrophobicContact CB-CD2 3.91Å; A168-Y180 HydrophobicContact CB-CE2 3.97Å; A168-Y180 VanDerWaalsContact O-CD2 3.22Å; A168-Y180 WeakPolarHBondContact O-CD2 3.32Å; R172-Y180 HydrophobicContact CB-CD2 4Å; R172-Y180 HydrophobicContact CB-CE2 4.26Å; D176-Y180 VanDerWaalsContact O-CB 3.3Å; D176-Y180 WeakPolarHBondContact O-CB 3.34Å; D176-Y180 PolarHBondContact O-N 3.41Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 3.01Å; Y180-Q183 PolarHBondContact O-N 2.99Å; Y180-Q183 VanDerWaalsContact O-N 3.13Å; Y180-A184 HydrophobicContact CE2-CB 4.44Å; Y180-A184 WeakPolarHBondContact O-CB 3.22Å; Y180-A184 PolarHBondContact O-N 3.43Å; Y180-A211 HydrophobicContact CD1-CB 3.38Å; Y180-A211 HydrophobicContact CE1-CB 3.61Å
181L88.7Confident86.8Confident5 Ų550 Ų503%0.02624%0.24CC..Hα-helixtrans-60.4-41-177.3179.457000111.5F177 A184 L185 L208 A211 A212 I218F177-L181 VanDerWaalsContact O-CB 3.28Å; F177-L181 WeakPolarHBondContact O-CB 3.07Å; F177-L181 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 2.73Å; L181-L185 HydrophobicContact CD1-CD1 4.02Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.99Å; L181-L185 HydrophobicContact CG-CG 4.47Å; L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 VanDerWaalsContact O-CG 3.25Å; L181-L185 WeakPolarHBondContact O-CG 3.35Å; L181-L185 PolarHBondContact O-N 3.44Å; L181-L208 HydrophobicContact CD1-CD2 3.64Å; L181-A211 HydrophobicContact CB-CB 4.33Å; L181-A212 HydrophobicContact CD2-CB 3.64Å; L181-I218 HydrophobicContact CB-CD1 4.14Å; L181-I218 HydrophobicContact CD2-CD1 3.57Å; L181-I218 HydrophobicContact CD2-CG2 4.48Å; L181-I218 HydrophobicContact CG-CD1 4.03Å
182K89.1Confident86.2Confident113 Ų11351.4 Ų51.449%0.49126%0.256SS..Hα-helixtrans-60.6-46.6175.2-74.3179.6178.9-172.30112.4T178 R179 Y180 R186T178-K182 WeakPolarHBondContact O-CG 3.22Å; T178-K182 PolarHBondContact O-N 3.47Å; R179-K182 PolarHBondContact O-N 3.37Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 3.01Å; K182-R186 VanDerWaalsContact O-CG 3.31Å; K182-R186 WeakPolarHBondContact O-CG 3.36Å; K182-R186 PolarHBondContact O-N 3.04Å; K182-R186 VanDerWaalsContact O-N 3.09Å
183Q89.8Confident85.6Confident20 Ų2050 Ų509%0.09325%0.252CS..Hα-helixtrans-71-35.3179.4-61.7-62.43.600112F164 A168 Y171 R179 Y180 R186 Y187F164-Q183 VanDerWaalsContact CD1-OE1 3.28Å; A168-Q183 HydrophobicContact CB-CB 4.16Å; Y171-Q183 HydrophobicContact CD2-CG 3.85Å; Y171-Q183 HydrophobicContact CE2-CG 3.79Å; R179-Q183 WeakPolarHBondContact O-CG 3.38Å; R179-Q183 PolarHBondContact O-N 2.93Å; Y180-Q183 PolarHBondContact O-N 2.99Å; Y180-Q183 VanDerWaalsContact O-N 3.13Å; Q183-R186 PolarHBondContact O-N 3.02Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 3.22Å
184A89Confident85.1Confident5 Ų553.4 Ų53.44%0.04127%0.273CS..Hα-helixtrans-66-40.817600000111.8A168 Y180 L181 Y187 M188 L208A168-A184 HydrophobicContact CB-CB 4.49Å; Y180-A184 HydrophobicContact CE2-CB 4.44Å; Y180-A184 WeakPolarHBondContact O-CB 3.22Å; Y180-A184 PolarHBondContact O-N 3.43Å; L181-A184 PolarHBondContact O-N 2.73Å; A184-Y187 WeakPolarHBondContact O-CB 3.45Å; A184-Y187 PolarHBondContact O-N 3.14Å; A184-M188 WeakPolarHBondContact O-CG 3.49Å; A184-M188 PolarHBondContact O-N 3.13Å; A184-L208 HydrophobicContact CB-CD2 3.57Å
185L88.2Confident84.5Confident64 Ų6455.3 Ų55.334%0.33528%0.283SS..Hα-helixtrans-63.5-40.1172.5-71.2166.2000111.9L181 M188 S189L181-L185 HydrophobicContact CD1-CD1 4.02Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.99Å; L181-L185 HydrophobicContact CG-CG 4.47Å; L181-L185 WeakPolarHBondContact O-CB 3.25Å; L181-L185 VanDerWaalsContact O-CG 3.25Å; L181-L185 WeakPolarHBondContact O-CG 3.35Å; L181-L185 PolarHBondContact O-N 3.44Å; L185-M188 HydrophobicContact CD2-CE 3.54Å; L185-M188 HydrophobicContact CG-CE 4.27Å; L185-M188 PolarHBondContact O-N 3.11Å; L185-S189 PolarHBondContact O-N 3.43Å
186R87.7Confident84.2Confident118 Ų11855 Ų5545%0.44528%0.276SS..Hα-helixtrans-63.8-42.1174-70.6174.879.5-174.411111.5F164 K182 Q183 S189 T190F164-R186 HydrophobicContact CB-CB 4.47Å; F164-R186 HydrophobicContact CD1-CB 4.05Å; F164-R186 HydrophobicContact CD2-CB 3.81Å; F164-R186 HydrophobicContact CE1-CB 4.3Å; F164-R186 VanDerWaalsContact CE1-NE 3.32Å; F164-R186 VanDerWaalsContact CE1-NH2 3.33Å; F164-R186 HydrophobicContact CE2-CB 4.03Å; F164-R186 HydrophobicContact CG-CB 3.84Å; F164-R186 HydrophobicContact CZ-CB 4.29Å; F164-R186 VanDerWaalsContact CZ-CZ 3.42Å; F164-R186 VanDerWaalsContact CZ-NH2 3.33Å; K182-R186 VanDerWaalsContact O-CG 3.31Å; K182-R186 WeakPolarHBondContact O-CG 3.36Å; K182-R186 PolarHBondContact O-N 3.04Å; K182-R186 VanDerWaalsContact O-N 3.09Å; Q183-R186 PolarHBondContact O-N 3.02Å; R186-S189 WeakPolarHBondContact CA-OG 3.36Å; R186-S189 PolarHBondContact O-N 3.4Å; R186-S189 PolarHBondContact O-OG 3.31Å; R186-T190 WeakPolarHBondContact O-CG2 3.33Å; R186-T190 PolarHBondContact O-N 2.96Å
187Y87.1Confident83.8Confident47 Ų4761.4 Ų61.418%0.18430%0.298CS..Hα-helixtrans-58.1-49.6173.7176.1-111.7000111.2S161 K165 Q183 A184 S189 T190 I191S161-Y187 WeakPolarHBondContact O-CD2 3.3Å; K165-Y187 HydrophobicContact CB-CD2 3.81Å; K165-Y187 HydrophobicContact CB-CE2 3.74Å; K165-Y187 HydrophobicContact CB-CG 4.42Å; K165-Y187 HydrophobicContact CD-CE2 4.03Å; K165-Y187 HydrophobicContact CG-CE2 4.18Å; Q183-Y187 WeakPolarHBondContact O-CB 3.19Å; Q183-Y187 PolarHBondContact O-N 3.22Å; A184-Y187 WeakPolarHBondContact O-CB 3.45Å; A184-Y187 PolarHBondContact O-N 3.14Å; Y187-S189 PolarHBondContact O-N 3.42Å; Y187-T190 PolarHBondContact O-N 2.99Å; Y187-T190 PolarHBondContact O-OG1 3.29Å; Y187-I191 HydrophobicContact CD1-CD1 4.05Å; Y187-I191 HydrophobicContact CE1-CD1 3.52Å; Y187-I191 HydrophobicContact CE2-CG2 3.98Å; Y187-I191 PolarHBondContact O-N 2.93Å
188M84.9Confident83.3Confident14 Ų1464.2 Ų64.27%0.06932%0.319CS..Hα-helixtrans-61.8-30.5177.3-69.6-171.5-57.800113.2A184 L185 T190 I191 L204 L208 I229A184-M188 WeakPolarHBondContact O-CG 3.49Å; A184-M188 PolarHBondContact O-N 3.13Å; L185-M188 HydrophobicContact CD2-CE 3.54Å; L185-M188 HydrophobicContact CG-CE 4.27Å; L185-M188 PolarHBondContact O-N 3.11Å; M188-T190 PolarHBondContact O-N 2.91Å; M188-I191 VanDerWaalsContact O-O 3.08Å; M188-L204 HydrophobicContact SD-CD2 4.48Å; M188-L208 HydrophobicContact CE-CD1 3.55Å; M188-L208 HydrophobicContact CE-CD2 4.18Å; M188-L208 HydrophobicContact SD-CD1 3.57Å; M188-L208 VanDerWaalsContact SD-CD1 3.57Å; M188-I229 HydrophobicContact SD-CD1 4Å
189S83.5Confident82.9Confident97 Ų9770.8 Ų70.868%0.67835%0.349SS*.Hα-helixtrans-72-15.8173.971.60000114.2L185 R186 Y187L185-S189 PolarHBondContact O-N 3.43Å; R186-S189 WeakPolarHBondContact CA-OG 3.36Å; R186-S189 PolarHBondContact O-N 3.4Å; R186-S189 PolarHBondContact O-OG 3.31Å; Y187-S189 PolarHBondContact O-N 3.42Å
190T82.1Confident82.6Confident42 Ų4268.7 Ų68.726%0.25835%0.347SS..Hα-helixtrans-98.7-11.2-179.557.90000114.3V156 S161 F164 R186 Y187 M188V156-T190 HydrophobicContact CG1-CG2 3.87Å; S161-T190 VanDerWaalsContact CB-OG1 3.28Å; S161-T190 WeakPolarHBondContact CB-OG1 3.49Å; F164-T190 HydrophobicContact CD2-CG2 3.9Å; F164-T190 HydrophobicContact CE2-CG2 3.8Å; R186-T190 WeakPolarHBondContact O-CG2 3.33Å; R186-T190 PolarHBondContact O-N 2.96Å; Y187-T190 PolarHBondContact O-N 2.99Å; Y187-T190 PolarHBondContact O-OG1 3.29Å; M188-T190 PolarHBondContact O-N 2.91Å
191I78.9Confident82.3Confident32 Ų3270.1 Ų70.116%0.16435%0.352CS..SBendtrans-116.1155.8-179.861.8173.4000109.7Y187 M188 I196Y187-I191 HydrophobicContact CD1-CD1 4.05Å; Y187-I191 HydrophobicContact CE1-CD1 3.52Å; Y187-I191 HydrophobicContact CE2-CG2 3.98Å; Y187-I191 PolarHBondContact O-N 2.93Å; M188-I191 VanDerWaalsContact O-O 3.08Å; I191-I196 HydrophobicContact CD1-CD1 3.81Å; I191-I196 HydrophobicContact CD1-CG1 3.66Å
192S77.3Confident82.2Confident69 Ų6971.5 Ų71.548%0.48336%0.362SS..  trans-79.6148.5168.8-55.10000109.3D194 D195S192-D194 PolarHBondContact O-N 3.46Å; S192-D195 WeakPolarHBondContact CB-OD2 3.4Å; S192-D195 PolarHBondContact N-OD2 3.32Å; S192-D195 WeakPolarHBondContact O-CB 3.48Å; S192-D195 PolarHBondContact O-N 2.86Å
193F71.5Confident82.1Confident61 Ų6170.4 Ų70.427%0.26836%0.359SS..G310 helixtrans-57.7-30.1176.1-175.7-105.1000112D195 I196 R201 P228 I229 T232F193-D195 VanDerWaalsContact C-N 3.31Å; F193-D195 PolarHBondContact O-N 2.93Å; F193-I196 PolarHBondContact O-N 3.42Å; F193-R201 PolarHBondContact O-NH2 2.82Å; F193-P228 HydrophobicContact CD2-CB 4.11Å; F193-P228 HydrophobicContact CE1-CB 4.37Å; F193-P228 HydrophobicContact CE2-CB 3.86Å; F193-P228 HydrophobicContact CG-CB 4.48Å; F193-P228 HydrophobicContact CZ-CB 3.99Å; F193-I229 HydrophobicContact CE2-CB 4.27Å; F193-T232 HydrophobicContact CZ-CG2 4.11Å
194D74.3Confident82Confident133 Ų13370.8 Ų70.871%0.71136%0.361SS*.G310 helixtrans-71.9-20.9178.5-59.6-40.2000113.9S192 I196S192-D194 PolarHBondContact O-N 3.46Å; D194-I196 PolarHBondContact O-N 3.3Å
195D74.9Confident81.9Confident111 Ų11170.6 Ų70.659%0.59436%0.359SS*.G310 helixtrans-74-16.3177.5-61-36.7000112.1S192 F193S192-D195 WeakPolarHBondContact CB-OD2 3.4Å; S192-D195 PolarHBondContact N-OD2 3.32Å; S192-D195 WeakPolarHBondContact O-CB 3.48Å; S192-D195 PolarHBondContact O-N 2.86Å; F193-D195 VanDerWaalsContact C-N 3.31Å; F193-D195 PolarHBondContact O-N 2.93Å
196I76Confident81.9Confident18 Ų1869 Ų699%0.09235%0.351CS..SBendtrans-85.7120.8177.8-51.3171.8000108.5I191 F193 D194 D200 R201 L204I191-I196 HydrophobicContact CD1-CD1 3.81Å; I191-I196 HydrophobicContact CD1-CG1 3.66Å; F193-I196 PolarHBondContact O-N 3.42Å; D194-I196 PolarHBondContact O-N 3.3Å; I196-D200 HydrophobicContact CG2-CB 4.49Å; I196-R201 HydrophobicContact CB-CG 4.2Å; I196-R201 HydrophobicContact CG2-CG 3.68Å; I196-R201 PolarHBondContact O-NE 2.98Å; I196-R201 PolarHBondContact O-NH2 2.83Å; I196-R201 VanDerWaalsContact O-NH2 3.09Å; I196-L204 HydrophobicContact CD1-CD2 4.18Å
197R79.8Confident81.9Confident165 Ų16567.5 Ų67.562%0.62335%0.345SS*.  trans-53.2134.6173.9-65.1-179178.2-175.7-2.6110.4E199 D200 R201R197-E199 PolarHBondContact O-N 3.36Å; R197-E199 VanDerWaalsContact O-N 3.15Å; R197-D200 HydrophobicContact CB-CB 4.48Å; R197-D200 PolarHBondContact O-N 3.3Å; R197-R201 WeakPolarHBondContact O-CG 3.45Å; R197-R201 PolarHBondContact O-N 3.28Å
198P76.2Confident82Confident89 Ų8965.3 Ų65.358%0.57834%0.336SS*.THydrogen-bonded Turntrans-58.9-31-176.824.1-33.7000112.8P202P198-P202 WeakPolarHBondContact O-CD 3.25Å
199E80.5Confident82.2Confident146 Ų14664.6 Ų64.668%0.68233%0.333SS*.THydrogen-bonded Turntrans-63.7-37.1176.6-62.9143-148.300113.2R197 P202R197-E199 PolarHBondContact O-N 3.36Å; R197-E199 VanDerWaalsContact O-N 3.15Å; E199-P202 WeakPolarHBondContact O-CD 3.22Å
200D83.4Confident82.5Confident75 Ų7560.7 Ų60.740%0.40130%0.304SS..THydrogen-bonded Turntrans-86.9-18.7-175.4-65.9-34.8000112.7I196 R197 E203 L204I196-D200 HydrophobicContact CG2-CB 4.49Å; R197-D200 HydrophobicContact CB-CB 4.48Å; R197-D200 PolarHBondContact O-N 3.3Å; D200-E203 PolarHBondContact O-N 3.18Å; D200-L204 WeakPolarHBondContact O-CB 3.38Å; D200-L204 PolarHBondContact O-N 2.96Å
201R86.2Confident82.8Confident48 Ų4858.7 Ų58.718%0.18129%0.292CS..Hα-helixtrans-55.5-51.7-179-68.3177.4-169.3-175.5-5.1113.6F193 I196 R197 E203 L204 A205 T232F193-R201 PolarHBondContact O-NH2 2.82Å; I196-R201 HydrophobicContact CB-CG 4.2Å; I196-R201 HydrophobicContact CG2-CG 3.68Å; I196-R201 PolarHBondContact O-NE 2.98Å; I196-R201 PolarHBondContact O-NH2 2.83Å; I196-R201 VanDerWaalsContact O-NH2 3.09Å; R197-R201 WeakPolarHBondContact O-CG 3.45Å; R197-R201 PolarHBondContact O-N 3.28Å; R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 3.31Å; R201-L204 PolarHBondContact O-N 3.11Å; R201-A205 WeakPolarHBondContact O-CB 3.43Å; R201-A205 PolarHBondContact O-N 2.97Å; R201-T232 HydrophobicContact CB-CG2 4.13Å
202P86Confident83.3Confident35 Ų3557.2 Ų57.223%0.22729%0.285CS..Hα-helixtrans-64.2-38.6-179.225.1-35000112.1P198 E199 A205 I206 T236P198-P202 WeakPolarHBondContact O-CD 3.25Å; E199-P202 WeakPolarHBondContact O-CD 3.22Å; P202-A205 WeakPolarHBondContact O-CB 3.45Å; P202-A205 PolarHBondContact O-N 3.16Å; P202-I206 VanDerWaalsContact O-CG1 3.27Å; P202-I206 WeakPolarHBondContact O-CG1 3.42Å; P202-I206 PolarHBondContact O-N 2.86Å; P202-T236 HydrophobicContact CB-CG2 4.15Å
203E86.7Confident83.8Confident90 Ų9054 Ų5442%0.42126%0.262SS..Hα-helixtrans-65.5-42.5178.3-163.7-170-169.800111.4D200 R201 A205 I206 R207D200-E203 PolarHBondContact O-N 3.18Å; R201-E203 VanDerWaalsContact C-N 3.34Å; R201-E203 PolarHBondContact O-N 3.31Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.21Å; E203-I206 PolarHBondContact O-N 2.88Å; E203-R207 VanDerWaalsContact O-CG 3.26Å; E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 3.33Å; E203-R207 IonicContact OE1-CZ 2.62Å; E203-R207 VanDerWaalsContact OE1-CZ 3.25Å; E203-R207 IonicContact OE1-NE 3.44Å; E203-R207 IonicContact OE1-NH2 3.21Å; E203-R207 PolarHBondContact OE1-NH2 2.87Å; E203-R207 IonicContact OE2-CZ 3.76Å; E203-R207 IonicContact OE2-NH1 3.55Å; E203-R207 PolarHBondContact OE2-NH1 3.38Å; E203-R207 IonicContact OE2-NH2 2.8Å; E203-R207 PolarHBondContact OE2-NH2 3.33Å
204L86.9Confident84.6Confident28 Ų2851.2 Ų51.215%0.14725%0.25CS..Hα-helixtrans-62.8-40.4174.6-178.658.8000111.5M188 I196 D200 R201 R207 L208 I229M188-L204 HydrophobicContact SD-CD2 4.48Å; I196-L204 HydrophobicContact CD1-CD2 4.18Å; D200-L204 WeakPolarHBondContact O-CB 3.38Å; D200-L204 PolarHBondContact O-N 2.96Å; R201-L204 PolarHBondContact O-N 3.11Å; L204-R207 PolarHBondContact O-N 2.98Å; L204-L208 HydrophobicContact CD1-CD1 4.23Å; L204-L208 HydrophobicContact CD1-CG 4.26Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 WeakPolarHBondContact O-CB 3.27Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.38Å; L204-I229 HydrophobicContact CB-CD1 3.93Å; L204-I229 HydrophobicContact CD2-CD1 3.49Å; L204-I229 VanDerWaalsContact CD2-CD1 3.49Å; L204-I229 HydrophobicContact CG-CD1 3.53Å
205A87.1Confident85.2Confident0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-60.6-47.1175.800000112.2R201 P202 E203 R207 L208 A209 I229 L233R201-A205 WeakPolarHBondContact O-CB 3.43Å; R201-A205 PolarHBondContact O-N 2.97Å; P202-A205 WeakPolarHBondContact O-CB 3.45Å; P202-A205 PolarHBondContact O-N 3.16Å; E203-A205 VanDerWaalsContact C-N 3.32Å; E203-A205 PolarHBondContact O-N 3.21Å; A205-R207 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 2.85Å; A205-A209 WeakPolarHBondContact O-CB 3.18Å; A205-A209 PolarHBondContact O-N 2.99Å; A205-I229 HydrophobicContact CB-CG1 3.98Å; A205-I229 WeakPolarHBondContact CB-O 3.4Å; A205-L233 HydrophobicContact CB-CD1 3.71Å; A205-L233 HydrophobicContact CB-CD2 3.74Å; A205-L233 HydrophobicContact CB-CG 3.53Å
206I88.7Confident85.6Confident32 Ų3243.2 Ų43.216%0.16421%0.207CC..Hα-helixtrans-58.8-48.5176.7-67164.4000110.3P202 E203 L208 A209 I210 L233 H238 L241P202-I206 VanDerWaalsContact O-CG1 3.27Å; P202-I206 WeakPolarHBondContact O-CG1 3.42Å; P202-I206 PolarHBondContact O-N 2.86Å; E203-I206 PolarHBondContact O-N 2.88Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.42Å; I206-A209 PolarHBondContact O-N 3Å; I206-I210 HydrophobicContact CG2-CD1 3.68Å; I206-I210 HydrophobicContact CG2-CG1 4.4Å; I206-I210 WeakPolarHBondContact O-CG1 3.4Å; I206-I210 PolarHBondContact O-N 3.32Å; I206-L233 HydrophobicContact CG1-CD2 3.8Å; I206-H238 HydrophobicContact CD1-CB 4.41Å; I206-H238 VanDerWaalsContact CD1-CD2 3.4Å; I206-H238 WeakPolarHBondContact CD1-CD2 3.35Å; I206-H238 HydrophobicContact CG1-CB 4.31Å; I206-L241 HydrophobicContact CB-CD1 4.18Å; I206-L241 HydrophobicContact CG1-CD1 3.92Å; I206-L241 HydrophobicContact CG2-CD1 3.96Å
207R87.9Confident85.9Confident86 Ų8648.1 Ų48.133%0.32523%0.228SC..Hα-helixtrans-60.6-42.8179.9-71170-177.7160.9-3.8112E203 L204 A205 A211E203-R207 VanDerWaalsContact O-CG 3.26Å; E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 3.33Å; E203-R207 IonicContact OE1-CZ 2.62Å; E203-R207 VanDerWaalsContact OE1-CZ 3.25Å; E203-R207 IonicContact OE1-NE 3.44Å; E203-R207 IonicContact OE1-NH2 3.21Å; E203-R207 PolarHBondContact OE1-NH2 2.87Å; E203-R207 IonicContact OE2-CZ 3.76Å; E203-R207 IonicContact OE2-NH1 3.55Å; E203-R207 PolarHBondContact OE2-NH1 3.38Å; E203-R207 IonicContact OE2-NH2 2.8Å; E203-R207 PolarHBondContact OE2-NH2 3.33Å; L204-R207 PolarHBondContact O-N 2.98Å; A205-R207 PolarHBondContact O-N 3.37Å; R207-A211 VanDerWaalsContact O-CB 3.27Å; R207-A211 WeakPolarHBondContact O-CB 3.25Å; R207-A211 PolarHBondContact O-N 2.84Å
208L89.4Confident85.9Confident0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-66.2-41.3177.2-71.8168.1000112.1L181 A184 M188 L204 A205 I206 A211 A212 L224 I229L181-L208 HydrophobicContact CD1-CD2 3.64Å; A184-L208 HydrophobicContact CB-CD2 3.57Å; M188-L208 HydrophobicContact CE-CD1 3.55Å; M188-L208 HydrophobicContact CE-CD2 4.18Å; M188-L208 HydrophobicContact SD-CD1 3.57Å; M188-L208 VanDerWaalsContact SD-CD1 3.57Å; L204-L208 HydrophobicContact CD1-CD1 4.23Å; L204-L208 HydrophobicContact CD1-CG 4.26Å; L204-L208 HydrophobicContact CG-CD1 4.03Å; L204-L208 WeakPolarHBondContact O-CB 3.27Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 2.85Å; I206-L208 VanDerWaalsContact C-N 3.34Å; I206-L208 PolarHBondContact O-N 3.42Å; L208-A211 PolarHBondContact O-N 3.18Å; L208-A212 WeakPolarHBondContact O-CB 3.38Å; L208-A212 PolarHBondContact O-N 3.38Å; L208-L224 HydrophobicContact CB-CD1 3.97Å; L208-L224 HydrophobicContact CD1-CD1 4.41Å; L208-I229 HydrophobicContact CD1-CD1 4.07Å; L208-I229 HydrophobicContact CD1-CG2 4.13Å
209A89Confident86.1Confident0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-62-49.817700000111.6A205 I206 A211 A212 L213 L241 L245A205-A209 WeakPolarHBondContact O-CB 3.18Å; A205-A209 PolarHBondContact O-N 2.99Å; I206-A209 PolarHBondContact O-N 3Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.07Å; A209-A212 WeakPolarHBondContact O-CB 3.46Å; A209-A212 PolarHBondContact O-N 2.93Å; A209-L213 WeakPolarHBondContact O-CG 3.21Å; A209-L213 PolarHBondContact O-N 3.38Å; A209-L241 HydrophobicContact CB-CB 4.39Å; A209-L241 HydrophobicContact CB-CD1 4.35Å; A209-L241 HydrophobicContact CB-CD2 4.34Å; A209-L245 HydrophobicContact CB-CD1 3.76Å
210I88.9Confident86Confident14 Ų1432.2 Ų32.27%0.07216%0.16CC..Hα-helixtrans-60.9-45.2177.4-67.3171.3000110.4I206 A212 L213 L214 L241 D268 L269I206-I210 HydrophobicContact CG2-CD1 3.68Å; I206-I210 HydrophobicContact CG2-CG1 4.4Å; I206-I210 WeakPolarHBondContact O-CG1 3.4Å; I206-I210 PolarHBondContact O-N 3.32Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 3.37Å; I210-L213 PolarHBondContact O-N 2.96Å; I210-L214 HydrophobicContact CG2-CD1 3.7Å; I210-L214 HydrophobicContact CG2-CG 4.27Å; I210-L214 WeakPolarHBondContact O-CB 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.32Å; I210-L214 PolarHBondContact O-N 3.36Å; I210-L241 HydrophobicContact CG1-CD2 4.48Å; I210-D268 HydrophobicContact CG2-CB 4.36Å; I210-L269 HydrophobicContact CG2-CD2 4.23Å
211A89Confident85.9Confident1 Ų128.8 Ų28.81%0.00814%0.142CC..Hα-helixtrans-62.3-38.7177.100000113F177 Y180 L181 R207 L208 A209 S215F177-A211 HydrophobicContact CB-CB 4.23Å; F177-A211 HydrophobicContact CD1-CB 4.08Å; Y180-A211 HydrophobicContact CD1-CB 3.38Å; Y180-A211 HydrophobicContact CE1-CB 3.61Å; L181-A211 HydrophobicContact CB-CB 4.33Å; R207-A211 VanDerWaalsContact O-CB 3.27Å; R207-A211 WeakPolarHBondContact O-CB 3.25Å; R207-A211 PolarHBondContact O-N 2.84Å; L208-A211 PolarHBondContact O-N 3.18Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A211 PolarHBondContact O-N 3.07Å; A211-S215 VanDerWaalsContact O-CB 3.29Å; A211-S215 WeakPolarHBondContact O-CB 3.26Å; A211-S215 PolarHBondContact O-N 3.04Å
212A88.8Confident85.4Confident1 Ų126.8 Ų26.81%0.00814%0.136CC..Hα-helixtrans-62.7-4417500000111.2L181 L208 A209 I210 S215 F221 L224 L245 K279L181-A212 HydrophobicContact CD2-CB 3.64Å; L208-A212 WeakPolarHBondContact O-CB 3.38Å; L208-A212 PolarHBondContact O-N 3.38Å; A209-A212 WeakPolarHBondContact O-CB 3.46Å; A209-A212 PolarHBondContact O-N 2.93Å; I210-A212 VanDerWaalsContact C-N 3.32Å; I210-A212 PolarHBondContact O-N 3.37Å; A212-S215 PolarHBondContact O-OG 3.33Å; A212-F221 HydrophobicContact CB-CD1 4.05Å; A212-F221 HydrophobicContact CB-CE1 4.08Å; A212-L224 HydrophobicContact CB-CD2 3.76Å; A212-L245 HydrophobicContact CB-CD2 4.3Å; A212-K279 PolarHBondContact O-NZ 3.01Å
213L88.7Confident85Confident0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-63.6-46.9178.2-67.6169.1000111.6A209 I210 S215 F221 L241 L244 L245 F248 L269 L276 K279A209-L213 WeakPolarHBondContact O-CG 3.21Å; A209-L213 PolarHBondContact O-N 3.38Å; I210-L213 PolarHBondContact O-N 2.96Å; L213-S215 VanDerWaalsContact C-N 3.33Å; L213-S215 PolarHBondContact O-N 3.15Å; L213-F221 HydrophobicContact CD2-CE1 4.46Å; L213-L241 HydrophobicContact CD1-CD2 4.36Å; L213-L244 HydrophobicContact CD1-CD2 3.58Å; L213-L244 HydrophobicContact CD1-CG 4.22Å; L213-L244 HydrophobicContact CD2-CD2 4.47Å; L213-L244 HydrophobicContact CD2-CG 4.33Å; L213-L245 HydrophobicContact CD2-CD2 3.88Å; L213-L245 HydrophobicContact CG-CD2 4Å; L213-F248 HydrophobicContact CD2-CD1 4.15Å; L213-F248 HydrophobicContact CD2-CD2 3.48Å; L213-F248 VanDerWaalsContact CD2-CD2 3.48Å; L213-F248 HydrophobicContact CD2-CE1 4.26Å; L213-F248 HydrophobicContact CD2-CE2 3.58Å; L213-F248 HydrophobicContact CD2-CG 3.79Å; L213-F248 HydrophobicContact CD2-CZ 4Å; L213-L269 HydrophobicContact CB-CD2 4.27Å; L213-L269 HydrophobicContact CD1-CD2 4.32Å; L213-L276 HydrophobicContact CB-CD2 4.04Å; L213-K279 WeakPolarHBondContact O-CD 3.49Å; L213-K279 PolarHBondContact O-NZ 3.16Å
214L88.1Confident84.9Confident4 Ų429.4 Ų29.42%0.02114%0.139CC..Hα-helixtrans-79.9-9.1-176.3-65-178.7000115.1F177 I210 D268 L269 R272 L276F177-L214 HydrophobicContact CB-CB 4.19Å; F177-L214 HydrophobicContact CD1-CB 4.39Å; F177-L214 HydrophobicContact CD1-CD1 4.43Å; F177-L214 HydrophobicContact CD2-CB 3.45Å; F177-L214 VanDerWaalsContact CD2-CB 3.45Å; F177-L214 HydrophobicContact CD2-CD1 4.02Å; F177-L214 HydrophobicContact CD2-CG 4.39Å; F177-L214 HydrophobicContact CE1-CD1 4.01Å; F177-L214 HydrophobicContact CE2-CB 3.87Å; F177-L214 HydrophobicContact CE2-CD1 3.54Å; F177-L214 HydrophobicContact CE2-CG 4.35Å; F177-L214 HydrophobicContact CG-CB 3.75Å; F177-L214 HydrophobicContact CG-CD1 4.43Å; F177-L214 HydrophobicContact CZ-CB 4.49Å; F177-L214 HydrophobicContact CZ-CD1 3.54Å; I210-L214 HydrophobicContact CG2-CD1 3.7Å; I210-L214 HydrophobicContact CG2-CG 4.27Å; I210-L214 WeakPolarHBondContact O-CB 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.32Å; I210-L214 PolarHBondContact O-N 3.36Å; L214-D268 HydrophobicContact CD1-CB 3.98Å; L214-L269 HydrophobicContact CD1-CD2 4.34Å; L214-L269 HydrophobicContact CD2-CD2 3.85Å; L214-L269 HydrophobicContact CG-CD2 3.93Å; L214-R272 HydrophobicContact CD2-CB 3.85Å; L214-R272 HydrophobicContact CD2-CG 4.39Å; L214-L276 HydrophobicContact CD2-CD2 4.3Å
215S86.3Confident84.7Confident1 Ų129.8 Ų29.81%0.00714%0.142CC..  trans-67.7137.8177.365.80000112.5T178 A211 A212 L213 I218 F275 K279T178-S215 WeakPolarHBondContact OG1-CA 3.45Å; T178-S215 VanDerWaalsContact OG1-CB 3.31Å; T178-S215 WeakPolarHBondContact OG1-CB 3.48Å; A211-S215 VanDerWaalsContact O-CB 3.29Å; A211-S215 WeakPolarHBondContact O-CB 3.26Å; A211-S215 PolarHBondContact O-N 3.04Å; A212-S215 PolarHBondContact O-OG 3.33Å; L213-S215 VanDerWaalsContact C-N 3.33Å; L213-S215 PolarHBondContact O-N 3.15Å; S215-I218 WeakPolarHBondContact OG-CB 3.22Å; S215-I218 PolarHBondContact OG-O 3.37Å; S215-F275 WeakPolarHBondContact O-CZ 3.4Å; S215-K279 PolarHBondContact O-NZ 3.07Å; S215-K279 PolarHBondContact OG-NZ 3.34Å
216D83.3Confident84.4Confident74 Ų7436.2 Ų36.240%0.39617%0.171SC..SBendtrans-82.5-28-179.466.5-30.4000113.8T178 Y219 F275T178-D216 WeakPolarHBondContact CB-OD1 3.46Å; T178-D216 PolarHBondContact OG1-N 3.44Å; T178-D216 PolarHBondContact OG1-OD1 2.97Å; D216-Y219 VanDerWaalsContact O-CE2 3.27Å; D216-Y219 WeakPolarHBondContact O-CE2 3.43Å; D216-Y219 PolarHBondContact O-OH 3.19Å; D216-F275 HydrophobicContact CB-CZ 4.42Å
217K82.7Confident84.1Confident122 Ų12236.9 Ų36.953%0.5317%0.174SC..SBendtrans-108.4-8.3-172.9-64.8172.6-166.1-178.90114.2T178T178-K217 HydrophobicContact CG2-CB 3.92Å; T178-K217 HydrophobicContact CG2-CD 4.25Å; T178-K217 HydrophobicContact CG2-CG 4.43Å
218I80.4Confident83.8Confident30 Ų3035.5 Ų35.515%0.15418%0.176CC..  trans-105.8111.4-176.9-55.3166.5000108.7T178 L181 S215 K279T178-I218 HydrophobicContact CG2-CD1 4.38Å; T178-I218 HydrophobicContact CG2-CG1 4.47Å; L181-I218 HydrophobicContact CB-CD1 4.14Å; L181-I218 HydrophobicContact CD2-CD1 3.57Å; L181-I218 HydrophobicContact CD2-CG2 4.48Å; L181-I218 HydrophobicContact CG-CD1 4.03Å; S215-I218 WeakPolarHBondContact OG-CB 3.22Å; S215-I218 PolarHBondContact OG-O 3.37Å; I218-K279 VanDerWaalsContact O-CE 3.28Å; I218-K279 WeakPolarHBondContact O-CE 3.3Å; I218-K279 PolarHBondContact O-NZ 3.37Å
219Y80.4Confident83.3Confident10 Ų1035.5 Ų35.54%0.03918%0.176CC..  trans-111.8-11.3178.4-67.6-91.4000112.1D216 F221 K279 M282 L283 R325 L327D216-Y219 VanDerWaalsContact O-CE2 3.27Å; D216-Y219 WeakPolarHBondContact O-CE2 3.43Å; D216-Y219 PolarHBondContact O-OH 3.19Å; Y219-F221 WeakPolarHBondContact O-CD2 3.42Å; Y219-F221 WeakPolarHBondContact O-CE2 3.4Å; Y219-K279 HydrophobicContact CE1-CG 4.23Å; Y219-M282 HydrophobicContact CE1-CB 4.4Å; Y219-M282 HydrophobicContact CE1-CE 4.11Å; Y219-M282 HydrophobicContact CE1-SD 4.19Å; Y219-L283 HydrophobicContact CD1-CD2 3.99Å; Y219-L283 HydrophobicContact CD1-CG 4.22Å; Y219-L283 WeakPolarHBondContact O-CD2 3.2Å; Y219-R325 WeakPolarHBondContact OH-CD 3.48Å; Y219-R325 PolarHBondContact OH-NH1 3.44Å; Y219-L327 HydrophobicContact CD1-CD1 4.04Å; Y219-L327 HydrophobicContact CD1-CD2 4.21Å; Y219-L327 HydrophobicContact CD2-CD2 3.48Å; Y219-L327 VanDerWaalsContact CD2-CD2 3.48Å; Y219-L327 HydrophobicContact CE1-CD1 3.65Å; Y219-L327 HydrophobicContact CE1-CD2 4.3Å; Y219-L327 HydrophobicContact CE2-CD1 4.25Å; Y219-L327 HydrophobicContact CE2-CD2 3.62Å; Y219-L327 HydrophobicContact CE2-CG 4.45Å; Y219-L327 HydrophobicContact CG-CD1 4.46Å; Y219-L327 HydrophobicContact CG-CD2 3.79Å
220G78.3Confident82.9Confident26 Ų2635.6 Ų35.627%0.26818%0.176SC..  trans-97.8108.5176.300000111.2
221F81.5Confident82.5Confident2 Ų240.7 Ų40.71%0.00920%0.2CC..  trans-93.7-8.8179.2-56.6-82.7000113.4A212 L213 Y219 Y223 L224 L225 L245 F248 L283A212-F221 HydrophobicContact CB-CD1 4.05Å; A212-F221 HydrophobicContact CB-CE1 4.08Å; L213-F221 HydrophobicContact CD2-CE1 4.46Å; Y219-F221 WeakPolarHBondContact O-CD2 3.42Å; Y219-F221 WeakPolarHBondContact O-CE2 3.4Å; F221-Y223 VanDerWaalsContact C-N 3.31Å; F221-Y223 PolarHBondContact O-N 3.28Å; F221-L224 PolarHBondContact O-N 3.18Å; F221-L224 VanDerWaalsContact O-N 3.07Å; F221-L225 HydrophobicContact CB-CD1 4.2Å; F221-L225 WeakPolarHBondContact O-CG 3.39Å; F221-L225 PolarHBondContact O-N 3.24Å; F221-L245 HydrophobicContact CD1-CD2 3.54Å; F221-L245 HydrophobicContact CE1-CD2 4.03Å; F221-L245 HydrophobicContact CG-CD2 4.27Å; F221-F248 HydrophobicContact CD2-CB 3.99Å; F221-F248 HydrophobicContact CE2-CB 3.69Å; F221-F248 HydrophobicContact CE2-CD1 4.17Å; F221-F248 HydrophobicContact CE2-CG 4.37Å; F221-F248 HydrophobicContact CZ-CB 4.01Å; F221-F248 AromaticContact CZ-CD1 3.94Å; F221-F248 HydrophobicContact CZ-CD1 3.94Å; F221-F248 HydrophobicContact CZ-CG 4.28Å; F221-L283 HydrophobicContact CE2-CD1 3.64Å; F221-L283 HydrophobicContact CE2-CD2 4.33Å; F221-L283 HydrophobicContact CZ-CD1 4.27Å
222G75.6Confident82Confident6 Ų642 Ų426%0.06221%0.208CC..Hα-helixtrans-58.2-37-174.500000114.2L224 L225 Q226G222-L224 VanDerWaalsContact C-N 3.29Å; G222-L224 PolarHBondContact O-N 3.48Å; G222-L225 PolarHBondContact O-N 3.09Å; G222-Q226 WeakPolarHBondContact O-CB 3.22Å; G222-Q226 VanDerWaalsContact O-CG 3.28Å; G222-Q226 WeakPolarHBondContact O-CG 3.2Å; G222-Q226 PolarHBondContact O-N 2.7Å
223Y78Confident81.5Confident172 Ų17242 Ų4268%0.67521%0.207SC*.Hα-helixtrans-63.2-40.4178.5-74.8-68.1000111F221 H227 I348F221-Y223 VanDerWaalsContact C-N 3.31Å; F221-Y223 PolarHBondContact O-N 3.28Å; Y223-H227 PolarHBondContact O-N 2.75Å; Y223-I348 HydrophobicContact CD1-CD1 3.56Å; Y223-I348 HydrophobicContact CD2-CD1 3.13Å; Y223-I348 HydrophobicContact CD2-CG1 4.24Å; Y223-I348 HydrophobicContact CE1-CD1 3.7Å; Y223-I348 HydrophobicContact CE2-CD1 3.27Å; Y223-I348 HydrophobicContact CE2-CG1 3.95Å; Y223-I348 HydrophobicContact CG-CD1 3.25Å
224L83.4Confident80.8Confident8 Ų847.3 Ų47.34%0.04223%0.231CC..Hα-helixtrans-70.9-48.4178-175.361.8000109.7L208 A212 F221 G222 Q226 H227 I229 M230 L245L208-L224 HydrophobicContact CB-CD1 3.97Å; L208-L224 HydrophobicContact CD1-CD1 4.41Å; A212-L224 HydrophobicContact CB-CD2 3.76Å; F221-L224 PolarHBondContact O-N 3.18Å; F221-L224 VanDerWaalsContact O-N 3.07Å; G222-L224 VanDerWaalsContact C-N 3.29Å; G222-L224 PolarHBondContact O-N 3.48Å; L224-Q226 PolarHBondContact O-N 2.97Å; L224-H227 VanDerWaalsContact O-CB 3.24Å; L224-H227 WeakPolarHBondContact O-CB 3.23Å; L224-H227 PolarHBondContact O-N 2.67Å; L224-I229 HydrophobicContact CD1-CG2 4.49Å; L224-M230 HydrophobicContact CD1-CG 4.18Å; L224-M230 HydrophobicContact CD1-SD 3.92Å; L224-M230 HydrophobicContact CD2-SD 4.25Å; L224-M230 HydrophobicContact CG-CG 4Å; L224-M230 HydrophobicContact CG-SD 3.76Å; L224-M230 WeakPolarHBondContact O-CG 3.22Å; L224-L245 HydrophobicContact CD2-CD1 3.91Å; L224-L245 HydrophobicContact CD2-CD2 4.48Å
225L82.6Confident79.9Confident37 Ų3756 Ų5619%0.19427%0.271CS..Hα-helixtrans-59.1-30.8179.8-72.1170.5000113.9F221 G222 N242 L245 N246F221-L225 HydrophobicContact CB-CD1 4.2Å; F221-L225 WeakPolarHBondContact O-CG 3.39Å; F221-L225 PolarHBondContact O-N 3.24Å; G222-L225 PolarHBondContact O-N 3.09Å; L225-N242 VanDerWaalsContact CD2-OD1 3.24Å; L225-N242 WeakPolarHBondContact CD2-OD1 3.46Å; L225-L245 HydrophobicContact CD2-CB 3.75Å; L225-L245 HydrophobicContact CG-CB 4.38Å; L225-N246 WeakPolarHBondContact CD1-OD1 3.26Å
226Q82.3Confident79.3Confident134 Ų13458 Ų5863%0.62628%0.283SS*.THydrogen-bonded Turntrans-84.6-10.7175.8-70.5175.61.500113.4G222 L224G222-Q226 WeakPolarHBondContact O-CB 3.22Å; G222-Q226 VanDerWaalsContact O-CG 3.28Å; G222-Q226 WeakPolarHBondContact O-CG 3.2Å; G222-Q226 PolarHBondContact O-N 2.7Å; L224-Q226 PolarHBondContact O-N 2.97Å
227H81.7Confident79Confident47 Ų4764 Ų6422%0.21831%0.306CS..SBendtrans-75.8136.9-177.8-165.5-89.7000110.6Y223 L224 I229 M230Y223-H227 PolarHBondContact O-N 2.75Å; L224-H227 VanDerWaalsContact O-CB 3.24Å; L224-H227 WeakPolarHBondContact O-CB 3.23Å; L224-H227 PolarHBondContact O-N 2.67Å; H227-I229 HydrophobicContact CB-CG2 4.24Å; H227-I229 WeakPolarHBondContact ND1-CB 3.48Å; H227-I229 WeakPolarHBondContact ND1-CG2 3.3Å; H227-I229 PolarHBondContact ND1-N 3.4Å; H227-I229 VanDerWaalsContact ND1-N 3.2Å; H227-I229 PolarHBondContact O-N 2.97Å; H227-M230 WeakPolarHBondContact O-CB 3.03Å; H227-M230 PolarHBondContact O-N 2.99Å
228P80.7Confident78.8Confident56 Ų5660.9 Ų60.936%0.36429%0.293SS..G310 helixtrans-55.4-25.9-180-27.634.9000114.3F193 M230 E231F193-P228 HydrophobicContact CD2-CB 4.11Å; F193-P228 HydrophobicContact CE1-CB 4.37Å; F193-P228 HydrophobicContact CE2-CB 3.86Å; F193-P228 HydrophobicContact CG-CB 4.48Å; F193-P228 HydrophobicContact CZ-CB 3.99Å; P228-M230 PolarHBondContact O-N 3.39Å; P228-E231 WeakPolarHBondContact O-CB 3.35Å; P228-E231 PolarHBondContact O-N 3.17Å
229I79.7Confident78.7Confident0 Ų064.2 Ų64.20%031%0.308CS..G310 helixtrans-63.3-20.4175.8-149162.7000113.8M188 F193 L204 A205 L208 L224 H227 T232M188-I229 HydrophobicContact SD-CD1 4Å; F193-I229 HydrophobicContact CE2-CB 4.27Å; L204-I229 HydrophobicContact CB-CD1 3.93Å; L204-I229 HydrophobicContact CD2-CD1 3.49Å; L204-I229 VanDerWaalsContact CD2-CD1 3.49Å; L204-I229 HydrophobicContact CG-CD1 3.53Å; A205-I229 HydrophobicContact CB-CG1 3.98Å; A205-I229 WeakPolarHBondContact CB-O 3.4Å; L208-I229 HydrophobicContact CD1-CD1 4.07Å; L208-I229 HydrophobicContact CD1-CG2 4.13Å; L224-I229 HydrophobicContact CD1-CG2 4.49Å; H227-I229 HydrophobicContact CB-CG2 4.24Å; H227-I229 WeakPolarHBondContact ND1-CB 3.48Å; H227-I229 WeakPolarHBondContact ND1-CG2 3.3Å; H227-I229 PolarHBondContact ND1-N 3.4Å; H227-I229 VanDerWaalsContact ND1-N 3.2Å; H227-I229 PolarHBondContact O-N 2.97Å; I229-T232 PolarHBondContact O-OG1 3.36Å
230M80.5Confident78.9Confident2 Ų265.1 Ų65.11%0.0131%0.311CS..G310 helixtrans-81.5-20.8174.5-66.5-55.6-63.400112L224 H227 P228 T232 L233 N242 L245L224-M230 HydrophobicContact CD1-CG 4.18Å; L224-M230 HydrophobicContact CD1-SD 3.92Å; L224-M230 HydrophobicContact CD2-SD 4.25Å; L224-M230 HydrophobicContact CG-CG 4Å; L224-M230 HydrophobicContact CG-SD 3.76Å; L224-M230 WeakPolarHBondContact O-CG 3.22Å; H227-M230 WeakPolarHBondContact O-CB 3.03Å; H227-M230 PolarHBondContact O-N 2.99Å; P228-M230 PolarHBondContact O-N 3.39Å; M230-T232 VanDerWaalsContact C-N 3.31Å; M230-L233 HydrophobicContact CE-CD1 3.49Å; M230-L233 VanDerWaalsContact CE-CD1 3.49Å; M230-L233 PolarHBondContact O-N 3.24Å; M230-L233 HydrophobicContact SD-CD1 3.79Å; M230-N242 HydrophobicContact CE-CB 4.45Å; M230-L245 HydrophobicContact CE-CD1 3.3Å; M230-L245 HydrophobicContact SD-CD1 4.33Å
231E79.9Confident79.3Confident121 Ų12163.9 Ų63.957%0.56530%0.299SS*.Hα-helixtrans-69.5-33.8174.3-56.5-167.4140.500110.9P228 L233 K234P228-E231 WeakPolarHBondContact O-CB 3.35Å; P228-E231 PolarHBondContact O-N 3.17Å; E231-L233 PolarHBondContact O-N 3.13Å; E231-L233 VanDerWaalsContact O-N 3.11Å; E231-K234 WeakPolarHBondContact O-CB 3.42Å; E231-K234 PolarHBondContact O-N 2.98Å
232T78.1Confident79.5Confident29 Ų2964.5 Ų64.518%0.17830%0.302CS..Hα-helixtrans-63.9-17.2175.367.20000113.1F193 R201 I229 M230 T236F193-T232 HydrophobicContact CZ-CG2 4.11Å; R201-T232 HydrophobicContact CB-CG2 4.13Å; I229-T232 PolarHBondContact O-OG1 3.36Å; M230-T232 VanDerWaalsContact C-N 3.31Å; T232-T236 VanDerWaalsContact O-CG2 3.25Å; T232-T236 WeakPolarHBondContact O-CG2 3.46Å
233L78.5Confident80Confident0 Ų067.7 Ų67.70%032%0.318CS..Hα-helixtrans-80.2-25.7174.1-70172.9000113.1A205 I206 M230 E231 E235 T236 H238A205-L233 HydrophobicContact CB-CD1 3.71Å; A205-L233 HydrophobicContact CB-CD2 3.74Å; A205-L233 HydrophobicContact CB-CG 3.53Å; I206-L233 HydrophobicContact CG1-CD2 3.8Å; M230-L233 HydrophobicContact CE-CD1 3.49Å; M230-L233 VanDerWaalsContact CE-CD1 3.49Å; M230-L233 PolarHBondContact O-N 3.24Å; M230-L233 HydrophobicContact SD-CD1 3.79Å; E231-L233 PolarHBondContact O-N 3.13Å; E231-L233 VanDerWaalsContact O-N 3.11Å; L233-E235 PolarHBondContact O-N 2.96Å; L233-T236 WeakPolarHBondContact CA-OG1 3.34Å; L233-T236 PolarHBondContact O-N 2.93Å; L233-T236 VanDerWaalsContact O-N 3.07Å; L233-T236 PolarHBondContact O-OG1 3.25Å; L233-H238 HydrophobicContact CD2-CB 4.1Å
234K73.9Confident80.4Confident113 Ų11359.5 Ų59.549%0.49129%0.286SS..Hα-helixtrans-63.4-30.9-177.2-65.7178.2-178.51680112.3E231 T236E231-K234 WeakPolarHBondContact O-CB 3.42Å; E231-K234 PolarHBondContact O-N 2.98Å; K234-T236 VanDerWaalsContact C-N 3.3Å
235E70.2Confident80.6Confident186 Ų18659.1 Ų59.187%0.86928%0.284SS*.THydrogen-bonded Turntrans-85.2-4.3179.1-61.1-178.5170.500113L233L233-E235 PolarHBondContact O-N 2.96Å
236T74.7Confident80.8Confident42 Ų4260.2 Ų60.226%0.25829%0.29SS..SBendtrans-108.7166-172.669.10000112.4P202 T232 L233 K234 H238 Q239P202-T236 HydrophobicContact CB-CG2 4.15Å; T232-T236 VanDerWaalsContact O-CG2 3.25Å; T232-T236 WeakPolarHBondContact O-CG2 3.46Å; L233-T236 WeakPolarHBondContact CA-OG1 3.34Å; L233-T236 PolarHBondContact O-N 2.93Å; L233-T236 VanDerWaalsContact O-N 3.07Å; L233-T236 PolarHBondContact O-OG1 3.25Å; K234-T236 VanDerWaalsContact C-N 3.3Å; T236-H238 PolarHBondContact O-N 3.03Å; T236-H238 PolarHBondContact OG1-N 3.45Å; T236-Q239 PolarHBondContact O-N 2.95Å
237K75.7Confident81Confident200 Ų20054 Ų5487%0.8726%0.261SS*.THydrogen-bonded Turntrans-59.8-6.8172.2-60.7-178.9-178.8179.40114
238H78.2Confident81.2Confident57 Ų5751.8 Ų51.826%0.26425%0.251SS..THydrogen-bonded Turntrans-102.917.9-176.5-60.4-74.1000113.8I206 L233 T236 W240 L241I206-H238 HydrophobicContact CD1-CB 4.41Å; I206-H238 VanDerWaalsContact CD1-CD2 3.4Å; I206-H238 WeakPolarHBondContact CD1-CD2 3.35Å; I206-H238 HydrophobicContact CG1-CB 4.31Å; L233-H238 HydrophobicContact CD2-CB 4.1Å; T236-H238 PolarHBondContact O-N 3.03Å; T236-H238 PolarHBondContact OG1-N 3.45Å; H238-W240 AromaticContact ND1-NE1 3.74Å; H238-W240 PolarHBondContact O-N 3.04Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 WeakPolarHBondContact O-CB 3.29Å; H238-L241 PolarHBondContact O-N 3.41Å
239Q79.8Confident81.3Confident100 Ų10049.6 Ų49.647%0.46724%0.237SC..Hα-helixtrans-50.4-33.4175-176.6179.1-6.200112.8T236 L241 N242 D243T236-Q239 PolarHBondContact O-N 2.95Å; Q239-L241 PolarHBondContact O-N 3.28Å; Q239-L241 VanDerWaalsContact O-N 3.11Å; Q239-N242 WeakPolarHBondContact O-CA 3.35Å; Q239-N242 VanDerWaalsContact O-CB 3.29Å; Q239-N242 WeakPolarHBondContact O-CB 3.4Å; Q239-N242 PolarHBondContact O-N 2.95Å; Q239-D243 PolarHBondContact O-N 2.91Å; Q239-D243 VanDerWaalsContact O-N 3.12Å
240W84.6Confident81.4Confident29 Ų2952.6 Ų52.611%0.1125%0.253CS..Hα-helixtrans-55.2-28.2175.667.8-99.1000114.1H238 N242 D243 L244 L259 Q262 W263 Q266 L269H238-W240 AromaticContact ND1-NE1 3.74Å; H238-W240 PolarHBondContact O-N 3.04Å; W240-N242 VanDerWaalsContact C-N 3.33Å; W240-D243 PolarHBondContact O-N 3.13Å; W240-L244 HydrophobicContact CE3-CD2 4.32Å; W240-L244 HydrophobicContact CZ3-CD2 3.95Å; W240-L244 WeakPolarHBondContact O-CB 3.29Å; W240-L244 PolarHBondContact O-N 3.2Å; W240-L259 HydrophobicContact CB-CD2 4.33Å; W240-Q262 HydrophobicContact CD2-CB 4.42Å; W240-Q262 HydrophobicContact CG-CB 4.42Å; W240-W263 HydrophobicContact CE3-CB 4.23Å; W240-W263 HydrophobicContact CH2-CB 4.13Å; W240-W263 HydrophobicContact CZ3-CB 3.53Å; W240-Q266 HydrophobicContact CH2-CG 3.87Å; W240-Q266 HydrophobicContact CZ2-CG 4.04Å; W240-L269 HydrophobicContact CH2-CD1 4.18Å; W240-L269 HydrophobicContact CZ3-CD1 4.3Å
241L85.5Confident81.4Confident1 Ų152.6 Ų52.61%0.00525%0.253CS..Hα-helixtrans-67.2-36.8174.1-78.9171.1000111.5I206 A209 I210 L213 H238 Q239 L245I206-L241 HydrophobicContact CB-CD1 4.18Å; I206-L241 HydrophobicContact CG1-CD1 3.92Å; I206-L241 HydrophobicContact CG2-CD1 3.96Å; A209-L241 HydrophobicContact CB-CB 4.39Å; A209-L241 HydrophobicContact CB-CD1 4.35Å; A209-L241 HydrophobicContact CB-CD2 4.34Å; I210-L241 HydrophobicContact CG1-CD2 4.48Å; L213-L241 HydrophobicContact CD1-CD2 4.36Å; H238-L241 HydrophobicContact CB-CD1 4.13Å; H238-L241 WeakPolarHBondContact O-CB 3.29Å; H238-L241 PolarHBondContact O-N 3.41Å; Q239-L241 PolarHBondContact O-N 3.28Å; Q239-L241 VanDerWaalsContact O-N 3.11Å; L241-L245 WeakPolarHBondContact O-CB 3.27Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.04Å
242N85.7Confident81.6Confident15 Ų1549.5 Ų49.58%0.0824%0.241CC..Hα-helixtrans-69.7-42.7176.2-164.311.5000110.5L225 M230 Q239 W240 L244 L245 N246L225-N242 VanDerWaalsContact CD2-OD1 3.24Å; L225-N242 WeakPolarHBondContact CD2-OD1 3.46Å; M230-N242 HydrophobicContact CE-CB 4.45Å; Q239-N242 WeakPolarHBondContact O-CA 3.35Å; Q239-N242 VanDerWaalsContact O-CB 3.29Å; Q239-N242 WeakPolarHBondContact O-CB 3.4Å; Q239-N242 PolarHBondContact O-N 2.95Å; W240-N242 VanDerWaalsContact C-N 3.33Å; N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 3.41Å; N242-L245 PolarHBondContact O-N 2.88Å; N242-N246 WeakPolarHBondContact O-CB 3.44Å; N242-N246 PolarHBondContact O-N 3.37Å; N242-N246 PolarHBondContact O-ND2 2.96Å
243D85.7Confident81.8Confident72 Ų7249.5 Ų49.539%0.38524%0.239SC..Hα-helixtrans-63-40.4174.9-62.3-28.8000111.3Q239 W240 N246 A247 L259Q239-D243 PolarHBondContact O-N 2.91Å; Q239-D243 VanDerWaalsContact O-N 3.12Å; W240-D243 PolarHBondContact O-N 3.13Å; D243-N246 PolarHBondContact O-N 3.49Å; D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.03Å; D243-L259 HydrophobicContact CB-CD1 4.04Å
244L87Confident82Confident1 Ų157.1 Ų57.11%0.00528%0.275CS..Hα-helixtrans-61.9-48.1173.7-171.161.7000111L213 W240 N242 N246 A247 F248 F256 L259 W263L213-L244 HydrophobicContact CD1-CD2 3.58Å; L213-L244 HydrophobicContact CD1-CG 4.22Å; L213-L244 HydrophobicContact CD2-CD2 4.47Å; L213-L244 HydrophobicContact CD2-CG 4.33Å; W240-L244 HydrophobicContact CE3-CD2 4.32Å; W240-L244 HydrophobicContact CZ3-CD2 3.95Å; W240-L244 WeakPolarHBondContact O-CB 3.29Å; W240-L244 PolarHBondContact O-N 3.2Å; N242-L244 VanDerWaalsContact C-N 3.31Å; N242-L244 PolarHBondContact O-N 3.41Å; L244-N246 VanDerWaalsContact C-N 3.28Å; L244-N246 PolarHBondContact O-N 3.29Å; L244-A247 WeakPolarHBondContact O-CB 3.39Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-A247 VanDerWaalsContact O-N 3.15Å; L244-F248 HydrophobicContact CD1-CD2 4.01Å; L244-F248 HydrophobicContact CD1-CE2 3.75Å; L244-F248 HydrophobicContact CG-CD2 4.02Å; L244-F248 HydrophobicContact CG-CE2 3.96Å; L244-F248 VanDerWaalsContact O-CD2 3.27Å; L244-F248 WeakPolarHBondContact O-CD2 3.43Å; L244-F248 PolarHBondContact O-N 3.4Å; L244-F256 HydrophobicContact CD1-CD2 3.66Å; L244-F256 HydrophobicContact CD1-CE2 4.21Å; L244-L259 HydrophobicContact CB-CD1 4.18Å; L244-L259 HydrophobicContact CD1-CD1 4.31Å; L244-W263 HydrophobicContact CD2-CB 4.06Å; L244-W263 HydrophobicContact CD2-CG 4.33Å
245L87.6Confident82.4Confident0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-62.6-35.3176.8-73.6169.2000112.6A209 A212 L213 F221 L224 L225 M230 L241 N242 F248 S249A209-L245 HydrophobicContact CB-CD1 3.76Å; A212-L245 HydrophobicContact CB-CD2 4.3Å; L213-L245 HydrophobicContact CD2-CD2 3.88Å; L213-L245 HydrophobicContact CG-CD2 4Å; F221-L245 HydrophobicContact CD1-CD2 3.54Å; F221-L245 HydrophobicContact CE1-CD2 4.03Å; F221-L245 HydrophobicContact CG-CD2 4.27Å; L224-L245 HydrophobicContact CD2-CD1 3.91Å; L224-L245 HydrophobicContact CD2-CD2 4.48Å; L225-L245 HydrophobicContact CD2-CB 3.75Å; L225-L245 HydrophobicContact CG-CB 4.38Å; M230-L245 HydrophobicContact CE-CD1 3.3Å; M230-L245 HydrophobicContact SD-CD1 4.33Å; L241-L245 WeakPolarHBondContact O-CB 3.27Å; L241-L245 VanDerWaalsContact O-CG 3.26Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.04Å; N242-L245 PolarHBondContact O-N 2.88Å; L245-F248 PolarHBondContact O-N 3.43Å; L245-S249 WeakPolarHBondContact O-CB 3.45Å; L245-S249 PolarHBondContact O-N 2.99Å
246N86.4Confident83.1Confident60 Ų6045.4 Ų45.432%0.32123%0.225SC..Hα-helixtrans-66.8-41.5172.5-77.6-47.7000111.9L225 N242 D243 L244 S249 N250L225-N246 WeakPolarHBondContact CD1-OD1 3.26Å; N242-N246 WeakPolarHBondContact O-CB 3.44Å; N242-N246 PolarHBondContact O-N 3.37Å; N242-N246 PolarHBondContact O-ND2 2.96Å; D243-N246 PolarHBondContact O-N 3.49Å; L244-N246 VanDerWaalsContact C-N 3.28Å; L244-N246 PolarHBondContact O-N 3.29Å; N246-S249 PolarHBondContact O-N 2.88Å; N246-N250 PolarHBondContact O-N 3.36Å; N246-N250 PolarHBondContact O-ND2 3.26Å
247A86.3Confident83.6Confident3 Ų347.3 Ų47.33%0.02523%0.234CC..Hα-helixtrans-59.5-45.5173.600000111.2D243 L244 N250 G251 D252 T255D243-A247 WeakPolarHBondContact O-CB 3.45Å; D243-A247 PolarHBondContact O-N 3.03Å; L244-A247 WeakPolarHBondContact O-CB 3.39Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-A247 VanDerWaalsContact O-N 3.15Å; A247-N250 PolarHBondContact O-N 3.01Å; A247-G251 WeakPolarHBondContact O-CA 3.44Å; A247-G251 PolarHBondContact O-N 3.09Å; A247-D252 PolarHBondContact O-N 2.84Å; A247-T255 VanDerWaalsContact CB-OG1 3.25Å; A247-T255 WeakPolarHBondContact CB-OG1 3.49Å
248F86.4Confident84.1Confident0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-63.1-42.2174.2-89.9-96.7000112.2L213 F221 L244 L245 N250 G251 F256 L276 K279 I280 L283L213-F248 HydrophobicContact CD2-CD1 4.15Å; L213-F248 HydrophobicContact CD2-CD2 3.48Å; L213-F248 VanDerWaalsContact CD2-CD2 3.48Å; L213-F248 HydrophobicContact CD2-CE1 4.26Å; L213-F248 HydrophobicContact CD2-CE2 3.58Å; L213-F248 HydrophobicContact CD2-CG 3.79Å; L213-F248 HydrophobicContact CD2-CZ 4Å; F221-F248 HydrophobicContact CD2-CB 3.99Å; F221-F248 HydrophobicContact CE2-CB 3.69Å; F221-F248 HydrophobicContact CE2-CD1 4.17Å; F221-F248 HydrophobicContact CE2-CG 4.37Å; F221-F248 HydrophobicContact CZ-CB 4.01Å; F221-F248 AromaticContact CZ-CD1 3.94Å; F221-F248 HydrophobicContact CZ-CD1 3.94Å; F221-F248 HydrophobicContact CZ-CG 4.28Å; L244-F248 HydrophobicContact CD1-CD2 4.01Å; L244-F248 HydrophobicContact CD1-CE2 3.75Å; L244-F248 HydrophobicContact CG-CD2 4.02Å; L244-F248 HydrophobicContact CG-CE2 3.96Å; L244-F248 VanDerWaalsContact O-CD2 3.27Å; L244-F248 WeakPolarHBondContact O-CD2 3.43Å; L244-F248 PolarHBondContact O-N 3.4Å; L245-F248 PolarHBondContact O-N 3.43Å; F248-N250 VanDerWaalsContact C-N 3.35Å; F248-N250 PolarHBondContact O-N 3.35Å; F248-G251 PolarHBondContact O-N 2.97Å; F248-F256 HydrophobicContact CD2-CD2 4.46Å; F248-F256 AromaticContact CE2-CD2 3.6Å; F248-F256 HydrophobicContact CE2-CD2 3.6Å; F248-F256 AromaticContact CE2-CE2 3.7Å; F248-F256 HydrophobicContact CE2-CE2 3.7Å; F248-F256 HydrophobicContact CZ-CD2 4.07Å; F248-F256 AromaticContact CZ-CE2 3.82Å; F248-F256 HydrophobicContact CZ-CE2 3.82Å; F248-L276 HydrophobicContact CZ-CB 4.22Å; F248-L276 HydrophobicContact CZ-CD2 4Å; F248-K279 HydrophobicContact CD1-CG 4.43Å; F248-K279 HydrophobicContact CE1-CB 4.15Å; F248-K279 HydrophobicContact CE1-CD 4.16Å; F248-K279 HydrophobicContact CE1-CG 4.03Å; F248-I280 HydrophobicContact CD1-CB 4.45Å; F248-I280 HydrophobicContact CE1-CB 4.05Å; F248-I280 HydrophobicContact CZ-CB 4.23Å; F248-L283 HydrophobicContact CB-CD1 4.2Å; F248-L283 HydrophobicContact CD1-CD1 3.5Å; F248-L283 VanDerWaalsContact CD1-CD1 3.5Å; F248-L283 HydrophobicContact CE1-CD1 4.34Å; F248-L283 HydrophobicContact CG-CD1 4.3Å; F248-L283 WeakPolarHBondContact O-CD1 3.41Å
249S82.6Confident84.4Confident10 Ų1039.6 Ų39.67%0.0721%0.21CC..Hα-helixtrans-60.6-44.8176.9-171.50000111.4L245 N246 K347L245-S249 WeakPolarHBondContact O-CB 3.45Å; L245-S249 PolarHBondContact O-N 2.99Å; N246-S249 PolarHBondContact O-N 2.88Å; S249-K347 VanDerWaalsContact O-CE 3.26Å; S249-K347 WeakPolarHBondContact O-CE 3.35Å; S249-K347 PolarHBondContact O-NZ 3.32Å; S249-K347 WeakPolarHBondContact OG-CE 3.42Å
250N81.6Confident84.5Confident64 Ų6438.7 Ų38.734%0.34221%0.205SC..Hα-helixtrans-84.3-11.4-177.9-62.6-29000113.7N246 A247 F248 D252 N350N246-N250 PolarHBondContact O-N 3.36Å; N246-N250 PolarHBondContact O-ND2 3.26Å; A247-N250 PolarHBondContact O-N 3.01Å; F248-N250 VanDerWaalsContact C-N 3.35Å; F248-N250 PolarHBondContact O-N 3.35Å; N250-D252 VanDerWaalsContact C-N 3.34Å; N250-N350 PolarHBondContact OD1-ND2 3.25Å
251G81.6Confident84.4Confident1 Ų141.4 Ų41.41%0.0123%0.226CC..THydrogen-bonded Turntrans6735.5-175.100000112.9A247 F248 S284A247-G251 WeakPolarHBondContact O-CA 3.44Å; A247-G251 PolarHBondContact O-N 3.09Å; F248-G251 PolarHBondContact O-N 2.97Å; G251-S284 WeakPolarHBondContact O-CB 3.38Å; G251-S284 PolarHBondContact O-OG 3.31Å
252D83Confident84.2Confident57 Ų5745.2 Ų45.231%0.30524%0.244SC..  trans-92.3107.7-178.6-178.111.2000111.2A247 N250 Q254 T255 F256 I280A247-D252 PolarHBondContact O-N 2.84Å; N250-D252 VanDerWaalsContact C-N 3.34Å; D252-Q254 PolarHBondContact OD1-N 3.06Å; D252-Q254 VanDerWaalsContact OD1-N 3.1Å; D252-T255 VanDerWaalsContact CB-OG1 3.3Å; D252-T255 WeakPolarHBondContact CB-OG1 3.43Å; D252-T255 PolarHBondContact O-OG1 3.1Å; D252-T255 WeakPolarHBondContact OD2-CB 3.46Å; D252-T255 WeakPolarHBondContact OD2-CG2 3.27Å; D252-T255 PolarHBondContact OD2-OG1 3.49Å; D252-F256 PolarHBondContact O-N 2.79Å; D252-I280 VanDerWaalsContact O-CD1 3.32Å; D252-I280 WeakPolarHBondContact O-CD1 3.35Å
253I82.2Confident83.9Confident28 Ų2844.5 Ų44.514%0.14424%0.24CC..Hα-helixtrans-74.8-30.7-176.4-59.7175.7000110.7F256 D257 I280 R281 V308I253-F256 PolarHBondContact O-N 2.6Å; I253-D257 PolarHBondContact O-N 3.48Å; I253-I280 HydrophobicContact CG1-CG1 4.49Å; I253-R281 HydrophobicContact CD1-CG 4.29Å; I253-V308 HydrophobicContact CD1-CB 4.45Å; I253-V308 HydrophobicContact CD1-CG1 4.36Å; I253-V308 VanDerWaalsContact CD1-O 3.32Å; I253-V308 WeakPolarHBondContact CD1-O 3.16Å
254Q83.4Confident83.6Confident161 Ų16142.8 Ų42.875%0.75223%0.234SC*.Hα-helixtrans-68.4-44.6-176.8-62.6-177.7-5.900111.3D252 F256 D257 S258D252-Q254 PolarHBondContact OD1-N 3.06Å; D252-Q254 VanDerWaalsContact OD1-N 3.1Å; Q254-F256 VanDerWaalsContact C-N 3.32Å; Q254-F256 PolarHBondContact O-N 3.04Å; Q254-D257 PolarHBondContact O-N 3.37Å; Q254-S258 PolarHBondContact O-N 3.02Å
255T82Confident83.4Confident51 Ų5149.8 Ų49.831%0.31327%0.267SS..Hα-helixtrans-65.6-37.2176.2440000111.4A247 D252 S258 L259A247-T255 VanDerWaalsContact CB-OG1 3.25Å; A247-T255 WeakPolarHBondContact CB-OG1 3.49Å; D252-T255 VanDerWaalsContact CB-OG1 3.3Å; D252-T255 WeakPolarHBondContact CB-OG1 3.43Å; D252-T255 PolarHBondContact O-OG1 3.1Å; D252-T255 WeakPolarHBondContact OD2-CB 3.46Å; D252-T255 WeakPolarHBondContact OD2-CG2 3.27Å; D252-T255 PolarHBondContact OD2-OG1 3.49Å; T255-S258 PolarHBondContact O-N 3.24Å; T255-S258 PolarHBondContact O-OG 3.12Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.37Å; T255-L259 VanDerWaalsContact O-N 3.15Å
256F85.5Confident83.1Confident1 Ų152.5 Ų52.50%0.00428%0.279CS..Hα-helixtrans-62.7-45.5174173.7-94000113.8L244 F248 D252 I253 Q254 S258 L259 K260 W263 L276 E277 I280L244-F256 HydrophobicContact CD1-CD2 3.66Å; L244-F256 HydrophobicContact CD1-CE2 4.21Å; F248-F256 HydrophobicContact CD2-CD2 4.46Å; F248-F256 AromaticContact CE2-CD2 3.6Å; F248-F256 HydrophobicContact CE2-CD2 3.6Å; F248-F256 AromaticContact CE2-CE2 3.7Å; F248-F256 HydrophobicContact CE2-CE2 3.7Å; F248-F256 HydrophobicContact CZ-CD2 4.07Å; F248-F256 AromaticContact CZ-CE2 3.82Å; F248-F256 HydrophobicContact CZ-CE2 3.82Å; D252-F256 PolarHBondContact O-N 2.79Å; I253-F256 PolarHBondContact O-N 2.6Å; Q254-F256 VanDerWaalsContact C-N 3.32Å; Q254-F256 PolarHBondContact O-N 3.04Å; F256-S258 VanDerWaalsContact C-N 3.3Å; F256-S258 PolarHBondContact O-N 3.29Å; F256-L259 PolarHBondContact O-N 3.03Å; F256-K260 PolarHBondContact O-N 3.45Å; F256-W263 AromaticContact CE1-CZ2 3.9Å; F256-W263 HydrophobicContact CE1-CZ2 3.9Å; F256-W263 AromaticContact CE2-CE2 3.93Å; F256-W263 HydrophobicContact CE2-CZ2 4.01Å; F256-W263 AromaticContact CE2-NE1 3.74Å; F256-W263 AromaticContact CZ-CE2 3.81Å; F256-W263 HydrophobicContact CZ-CH2 4.19Å; F256-W263 AromaticContact CZ-CZ2 3.4Å; F256-W263 HydrophobicContact CZ-CZ2 3.4Å; F256-W263 VanDerWaalsContact CZ-CZ2 3.4Å; F256-W263 AromaticContact CZ-NE1 3.98Å; F256-W263 PolarHBondContact O-NE1 3.44Å; F256-L276 HydrophobicContact CE2-CB 4.26Å; F256-L276 HydrophobicContact CZ-CB 4.14Å; F256-E277 HydrophobicContact CE1-CG 3.91Å; F256-E277 HydrophobicContact CZ-CG 4.22Å; F256-I280 HydrophobicContact CB-CD1 3.18Å; F256-I280 HydrophobicContact CD1-CD1 4.28Å; F256-I280 HydrophobicContact CD1-CG2 4.18Å; F256-I280 HydrophobicContact CD2-CD1 3.82Å; F256-I280 HydrophobicContact CE1-CG2 4.37Å; F256-I280 HydrophobicContact CG-CD1 3.51Å; F256-I280 HydrophobicContact CG-CG2 4.32Å
257D84.4Confident82.9Confident83 Ų8353.9 Ų53.944%0.44429%0.291SS..Hα-helixtrans-65.2-36.7178.2-73.4-26.8000111.2I253 Q254 L259 K260I253-D257 PolarHBondContact O-N 3.48Å; Q254-D257 PolarHBondContact O-N 3.37Å; D257-L259 VanDerWaalsContact C-N 3.27Å; D257-L259 PolarHBondContact O-N 3.48Å; D257-K260 WeakPolarHBondContact O-CB 3.46Å; D257-K260 PolarHBondContact O-N 2.85Å
258S85.8Confident82.7Confident77 Ų7757.5 Ų57.554%0.53831%0.31SS..Hα-helixtrans-64.4-30.4174.978.70000113.4Q254 T255 F256 P261Q254-S258 PolarHBondContact O-N 3.02Å; T255-S258 PolarHBondContact O-N 3.24Å; T255-S258 PolarHBondContact O-OG 3.12Å; F256-S258 VanDerWaalsContact C-N 3.3Å; F256-S258 PolarHBondContact O-N 3.29Å; S258-P261 WeakPolarHBondContact O-CD 3.38Å
259L85Confident82.5Confident18 Ų1857.5 Ų57.59%0.09431%0.31CS..Hα-helixtrans-89.1-5.6-180-67.8173.5000113.4W240 D243 L244 T255 F256 D257 P261 Q262 W263W240-L259 HydrophobicContact CB-CD2 4.33Å; D243-L259 HydrophobicContact CB-CD1 4.04Å; L244-L259 HydrophobicContact CB-CD1 4.18Å; L244-L259 HydrophobicContact CD1-CD1 4.31Å; T255-L259 WeakPolarHBondContact O-CG 3.38Å; T255-L259 PolarHBondContact O-N 3.37Å; T255-L259 VanDerWaalsContact O-N 3.15Å; F256-L259 PolarHBondContact O-N 3.03Å; D257-L259 VanDerWaalsContact C-N 3.27Å; D257-L259 PolarHBondContact O-N 3.48Å; L259-P261 VanDerWaalsContact C-CD 3.45Å; L259-Q262 PolarHBondContact O-N 3.38Å; L259-W263 PolarHBondContact O-N 2.98Å; L259-W263 VanDerWaalsContact O-N 3.11Å
260K82.7Confident82.5Confident80 Ų8061.4 Ų61.435%0.34833%0.328SS..Hα-helixtrans-43.9-50.1175.4-165.6159-174.1163.90114.9F256 D257 Q262 W263 S264 E277F256-K260 PolarHBondContact O-N 3.45Å; D257-K260 WeakPolarHBondContact O-CB 3.46Å; D257-K260 PolarHBondContact O-N 2.85Å; K260-Q262 PolarHBondContact O-N 3.25Å; K260-Q262 VanDerWaalsContact O-N 3.15Å; K260-W263 HydrophobicContact CB-CZ2 4.05Å; K260-W263 HydrophobicContact CD-CZ2 4.09Å; K260-W263 HydrophobicContact CG-CH2 4.14Å; K260-W263 HydrophobicContact CG-CZ2 3.61Å; K260-S264 WeakPolarHBondContact O-CB 3.45Å; K260-S264 PolarHBondContact O-N 3.25Å; K260-S264 PolarHBondContact O-OG 2.88Å; K260-E277 IonicContact NZ-OE1 2.79Å; K260-E277 PolarHBondContact NZ-OE1 2.89Å
261P82.1Confident82.6Confident87 Ų8762.8 Ų62.857%0.56534%0.342SS*.Hα-helixtrans-63-23.2179.624.5-35.6000114.4S258 L259 Q265S258-P261 WeakPolarHBondContact O-CD 3.38Å; L259-P261 VanDerWaalsContact C-CD 3.45Å; P261-Q265 WeakPolarHBondContact O-CG 3.27Å; P261-Q265 PolarHBondContact O-NE2 3.35Å
262Q80.2Confident82.8Confident81 Ų8167.5 Ų67.538%0.37936%0.36SS..Hα-helixtrans-89.1-46.9-177.5-61.3-179.8600111.3W240 L259 K260 Q265W240-Q262 HydrophobicContact CD2-CB 4.42Å; W240-Q262 HydrophobicContact CG-CB 4.42Å; L259-Q262 PolarHBondContact O-N 3.38Å; K260-Q262 PolarHBondContact O-N 3.25Å; K260-Q262 VanDerWaalsContact O-N 3.15Å; Q262-Q265 WeakPolarHBondContact O-CB 3.36Å; Q262-Q265 PolarHBondContact O-N 2.92Å
263W80.8Confident82.9Confident0 Ų065.7 Ų65.70%035%0.353CS..Hα-helixtrans-75.7-24.9-179.665-110.7000113.1W240 L244 F256 L259 K260 Q265 Q266 L269 A273 L276W240-W263 HydrophobicContact CE3-CB 4.23Å; W240-W263 HydrophobicContact CH2-CB 4.13Å; W240-W263 HydrophobicContact CZ3-CB 3.53Å; L244-W263 HydrophobicContact CD2-CB 4.06Å; L244-W263 HydrophobicContact CD2-CG 4.33Å; F256-W263 AromaticContact CE1-CZ2 3.9Å; F256-W263 HydrophobicContact CE1-CZ2 3.9Å; F256-W263 AromaticContact CE2-CE2 3.93Å; F256-W263 HydrophobicContact CE2-CZ2 4.01Å; F256-W263 AromaticContact CE2-NE1 3.74Å; F256-W263 AromaticContact CZ-CE2 3.81Å; F256-W263 HydrophobicContact CZ-CH2 4.19Å; F256-W263 AromaticContact CZ-CZ2 3.4Å; F256-W263 HydrophobicContact CZ-CZ2 3.4Å; F256-W263 VanDerWaalsContact CZ-CZ2 3.4Å; F256-W263 AromaticContact CZ-NE1 3.98Å; F256-W263 PolarHBondContact O-NE1 3.44Å; L259-W263 PolarHBondContact O-N 2.98Å; L259-W263 VanDerWaalsContact O-N 3.11Å; K260-W263 HydrophobicContact CB-CZ2 4.05Å; K260-W263 HydrophobicContact CD-CZ2 4.09Å; K260-W263 HydrophobicContact CG-CH2 4.14Å; K260-W263 HydrophobicContact CG-CZ2 3.61Å; W263-Q265 PolarHBondContact O-N 3.02Å; W263-Q266 PolarHBondContact O-N 3.46Å; W263-Q266 VanDerWaalsContact O-N 3.09Å; W263-L269 HydrophobicContact CB-CD1 3.92Å; W263-L269 HydrophobicContact CE3-CB 4.22Å; W263-A273 HydrophobicContact CH2-CB 3.96Å; W263-A273 HydrophobicContact CZ3-CB 3.93Å; W263-L276 HydrophobicContact CE3-CD1 4.4Å; W263-L276 HydrophobicContact CZ3-CD1 4.42Å
264S79.5Confident83.1Confident36 Ų3668.1 Ų68.125%0.25238%0.377SS..THydrogen-bonded Turntrans-64-16.5173.3-75.90000114.1K260 Q266 Q270K260-S264 WeakPolarHBondContact O-CB 3.45Å; K260-S264 PolarHBondContact O-N 3.25Å; K260-S264 PolarHBondContact O-OG 2.88Å; S264-Q266 VanDerWaalsContact C-N 3.25Å; S264-Q266 PolarHBondContact O-N 3.32Å; S264-Q270 VanDerWaalsContact CA-OE1 3.25Å; S264-Q270 PolarHBondContact OG-OE1 3.41Å
265Q82.2Confident83.3Confident148 Ų14862.8 Ų62.869%0.69235%0.351SS*.THydrogen-bonded Turntrans-71.5-22.7174.4-61.1177.38.700112.2P261 Q262 W263P261-Q265 WeakPolarHBondContact O-CG 3.27Å; P261-Q265 PolarHBondContact O-NE2 3.35Å; Q262-Q265 WeakPolarHBondContact O-CB 3.36Å; Q262-Q265 PolarHBondContact O-N 2.92Å; W263-Q265 PolarHBondContact O-N 3.02Å
266Q81.1Confident83.6Confident56 Ų5660.3 Ų60.326%0.26234%0.336SS..SBendtrans-85.9119.9178.7-66-62-45.200109.9W240 W263 S264 D268 L269 Q270W240-Q266 HydrophobicContact CH2-CG 3.87Å; W240-Q266 HydrophobicContact CZ2-CG 4.04Å; W263-Q266 PolarHBondContact O-N 3.46Å; W263-Q266 VanDerWaalsContact O-N 3.09Å; S264-Q266 VanDerWaalsContact C-N 3.25Å; S264-Q266 PolarHBondContact O-N 3.32Å; Q266-D268 VanDerWaalsContact C-N 3.29Å; Q266-D268 PolarHBondContact O-N 3.19Å; Q266-L269 HydrophobicContact CB-CB 4.31Å; Q266-L269 HydrophobicContact CB-CD1 4.11Å; Q266-L269 HydrophobicContact CB-CG 4.15Å; Q266-L269 PolarHBondContact O-N 3Å; Q266-Q270 PolarHBondContact O-N 2.71Å
267P81.6Confident83.7Confident89 Ų8962.5 Ų62.558%0.57835%0.346SS*.Hα-helixtrans-62-36.7-173.524.1-33.6000112.6L269 Q270 S271P267-L269 VanDerWaalsContact C-N 3.34Å; P267-L269 PolarHBondContact O-N 3.38Å; P267-Q270 PolarHBondContact O-N 3.2Å; P267-S271 WeakPolarHBondContact O-CB 3.49Å; P267-S271 PolarHBondContact O-N 2.93Å; P267-S271 PolarHBondContact O-OG 2.85Å
268D82.2Confident83.8Confident79 Ų7960.4 Ų60.442%0.42233%0.334SS..Hα-helixtrans-64.5-37.8179.8-66.3-22.5000112.3I210 L214 Q266 S271I210-D268 HydrophobicContact CG2-CB 4.36Å; L214-D268 HydrophobicContact CD1-CB 3.98Å; Q266-D268 VanDerWaalsContact C-N 3.29Å; Q266-D268 PolarHBondContact O-N 3.19Å; D268-S271 PolarHBondContact O-OG 2.86Å; D268-S271 VanDerWaalsContact O-OG 3.04Å
269L82.5Confident84Confident0 Ų056.7 Ų56.70%031%0.308CS..Hα-helixtrans-77.9-41.1178.4-61.5-179.1000111I210 L213 L214 W240 W263 Q266 P267 R272 A273 L276I210-L269 HydrophobicContact CG2-CD2 4.23Å; L213-L269 HydrophobicContact CB-CD2 4.27Å; L213-L269 HydrophobicContact CD1-CD2 4.32Å; L214-L269 HydrophobicContact CD1-CD2 4.34Å; L214-L269 HydrophobicContact CD2-CD2 3.85Å; L214-L269 HydrophobicContact CG-CD2 3.93Å; W240-L269 HydrophobicContact CH2-CD1 4.18Å; W240-L269 HydrophobicContact CZ3-CD1 4.3Å; W263-L269 HydrophobicContact CB-CD1 3.92Å; W263-L269 HydrophobicContact CE3-CB 4.22Å; Q266-L269 HydrophobicContact CB-CB 4.31Å; Q266-L269 HydrophobicContact CB-CD1 4.11Å; Q266-L269 HydrophobicContact CB-CG 4.15Å; Q266-L269 PolarHBondContact O-N 3Å; P267-L269 VanDerWaalsContact C-N 3.34Å; P267-L269 PolarHBondContact O-N 3.38Å; L269-R272 CarbonylContact O-C 3.26Å; L269-R272 VanDerWaalsContact O-C 3.26Å; L269-R272 PolarHBondContact O-N 3.38Å; L269-R272 VanDerWaalsContact O-N 3.14Å; L269-A273 PolarHBondContact O-N 2.85Å; L269-L276 HydrophobicContact CB-CD1 3.98Å; L269-L276 HydrophobicContact CD2-CD1 3.98Å; L269-L276 HydrophobicContact CG-CD1 4.49Å
270Q83Confident84.1Confident93 Ų9356 Ų5644%0.43530%0.304SS..Hα-helixtrans-63.9-42.9-179.7-172.564.111.100112.1S264 Q266 P267 R272 A273S264-Q270 VanDerWaalsContact CA-OE1 3.25Å; S264-Q270 PolarHBondContact OG-OE1 3.41Å; Q266-Q270 PolarHBondContact O-N 2.71Å; P267-Q270 PolarHBondContact O-N 3.2Å; Q270-R272 PolarHBondContact O-N 3.17Å; Q270-R272 VanDerWaalsContact O-N 3.13Å; Q270-A273 WeakPolarHBondContact O-CB 3.36Å; Q270-A273 PolarHBondContact O-N 3.11Å
271S84Confident84.4Confident92 Ų9255.6 Ų55.664%0.64330%0.301SS*.THydrogen-bonded Turntrans-60.6-23176.6670000113.2P267 D268P267-S271 WeakPolarHBondContact O-CB 3.49Å; P267-S271 PolarHBondContact O-N 2.93Å; P267-S271 PolarHBondContact O-OG 2.85Å; D268-S271 PolarHBondContact O-OG 2.86Å; D268-S271 VanDerWaalsContact O-OG 3.04Å
272R85.6Confident84.7Confident101 Ų10151.6 Ų51.638%0.38127%0.274SS..THydrogen-bonded Turntrans-118.425.8-179-65.9-177.2177.6-165.37.7112.8L214 L269 Q270 A274 F275 L276L214-R272 HydrophobicContact CD2-CB 3.85Å; L214-R272 HydrophobicContact CD2-CG 4.39Å; L269-R272 CarbonylContact O-C 3.26Å; L269-R272 VanDerWaalsContact O-C 3.26Å; L269-R272 PolarHBondContact O-N 3.38Å; L269-R272 VanDerWaalsContact O-N 3.14Å; Q270-R272 PolarHBondContact O-N 3.17Å; Q270-R272 VanDerWaalsContact O-N 3.13Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 3.44Å; R272-F275 HydrophobicContact CB-CB 4.36Å; R272-F275 WeakPolarHBondContact O-CB 3.37Å; R272-F275 PolarHBondContact O-N 2.97Å; R272-L276 PolarHBondContact O-N 3.04Å; R272-L276 VanDerWaalsContact O-N 3.12Å
273A85.3Confident85Confident19 Ų1948 Ų4816%0.15726%0.258CS..Hα-helixtrans-55.1-45.5-17700000113.1W263 L269 Q270 F275 L276 E277W263-A273 HydrophobicContact CH2-CB 3.96Å; W263-A273 HydrophobicContact CZ3-CB 3.93Å; L269-A273 PolarHBondContact O-N 2.85Å; Q270-A273 WeakPolarHBondContact O-CB 3.36Å; Q270-A273 PolarHBondContact O-N 3.11Å; A273-F275 PolarHBondContact O-N 3.4Å; A273-L276 WeakPolarHBondContact O-CB 3.46Å; A273-L276 PolarHBondContact O-N 3.44Å; A273-L276 VanDerWaalsContact O-N 3.08Å; A273-E277 PolarHBondContact O-N 2.87Å
274A86.4Confident85.2Confident79 Ų7948.1 Ų48.165%0.65326%0.258SS*.Hα-helixtrans-60.9-33.5178.100000112.9R272 E278R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 3.44Å; A274-E278 PolarHBondContact O-N 3.44Å
275F88.1Confident85.5Confident48 Ų4846.5 Ų46.521%0.21125%0.247CC..Hα-helixtrans-70.2-39.2175.6170.3-94000111.5S215 D216 R272 A273 E278 K279S215-F275 WeakPolarHBondContact O-CZ 3.4Å; D216-F275 HydrophobicContact CB-CZ 4.42Å; R272-F275 HydrophobicContact CB-CB 4.36Å; R272-F275 WeakPolarHBondContact O-CB 3.37Å; R272-F275 PolarHBondContact O-N 2.97Å; A273-F275 PolarHBondContact O-N 3.4Å; F275-E278 PolarHBondContact O-N 3.17Å; F275-K279 HydrophobicContact CE1-CD 4.01Å; F275-K279 HydrophobicContact CZ-CD 4.2Å; F275-K279 WeakPolarHBondContact O-CB 3.34Å; F275-K279 PolarHBondContact O-N 2.95Å
276L87.1Confident85.5Confident0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-65.2-42.9175.3-66174.6000111.6L213 L214 F248 F256 W263 L269 R272 A273 K279 I280L213-L276 HydrophobicContact CB-CD2 4.04Å; L214-L276 HydrophobicContact CD2-CD2 4.3Å; F248-L276 HydrophobicContact CZ-CB 4.22Å; F248-L276 HydrophobicContact CZ-CD2 4Å; F256-L276 HydrophobicContact CE2-CB 4.26Å; F256-L276 HydrophobicContact CZ-CB 4.14Å; W263-L276 HydrophobicContact CE3-CD1 4.4Å; W263-L276 HydrophobicContact CZ3-CD1 4.42Å; L269-L276 HydrophobicContact CB-CD1 3.98Å; L269-L276 HydrophobicContact CD2-CD1 3.98Å; L269-L276 HydrophobicContact CG-CD1 4.49Å; R272-L276 PolarHBondContact O-N 3.04Å; R272-L276 VanDerWaalsContact O-N 3.12Å; A273-L276 WeakPolarHBondContact O-CB 3.46Å; A273-L276 PolarHBondContact O-N 3.44Å; A273-L276 VanDerWaalsContact O-N 3.08Å; L276-K279 PolarHBondContact O-N 3.2Å; L276-I280 PolarHBondContact O-N 3.09Å
277E87.4Confident85.5Confident47 Ų4738 Ų3822%0.2221%0.209CC..Hα-helixtrans-61.4-45175.3-73-176.8-175.300111.7F256 K260 A273 K279 I280 R281F256-E277 HydrophobicContact CE1-CG 3.91Å; F256-E277 HydrophobicContact CZ-CG 4.22Å; K260-E277 IonicContact NZ-OE1 2.79Å; K260-E277 PolarHBondContact NZ-OE1 2.89Å; A273-E277 PolarHBondContact O-N 2.87Å; E277-K279 VanDerWaalsContact C-N 3.33Å; E277-K279 PolarHBondContact O-N 3.09Å; E277-I280 WeakPolarHBondContact O-CG2 3.44Å; E277-R281 WeakPolarHBondContact O-CG 3.43Å; E277-R281 PolarHBondContact O-N 3.35Å; E277-R281 IonicContact OE2-NH2 2.73Å
278E87.5Confident85.4Confident38 Ų3834.5 Ų34.518%0.17819%0.185CC..Hα-helixtrans-62.6-43174.5-168.8-173.9-143.100111.2A274 F275 R281 M282 K321 R325A274-E278 PolarHBondContact O-N 3.44Å; F275-E278 PolarHBondContact O-N 3.17Å; E278-R281 PolarHBondContact O-N 3.29Å; E278-M282 HydrophobicContact CB-CE 4.48Å; E278-M282 HydrophobicContact CG-CE 3.88Å; E278-M282 WeakPolarHBondContact O-CE 3.37Å; E278-M282 PolarHBondContact O-N 3.43Å; E278-K321 VanDerWaalsContact OE1-CD 3.27Å; E278-K321 WeakPolarHBondContact OE1-CD 3.44Å; E278-K321 WeakPolarHBondContact OE1-CE 3.33Å; E278-K321 IonicContact OE1-NZ 3.56Å; E278-K321 PolarHBondContact OE1-NZ 3.28Å; E278-R325 IonicContact OE1-NH2 3.89Å; E278-R325 IonicContact OE2-CZ 2.72Å; E278-R325 IonicContact OE2-NH2 3.83Å; E278-R325 PolarHBondContact OE2-NH2 3.33Å
279K88.9Confident85.2Confident0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-63.4-44-177.7-172174.1-176.3179.90112.5A212 L213 S215 I218 Y219 F248 F275 L276 E277 M282 L283A212-K279 PolarHBondContact O-NZ 3.01Å; L213-K279 WeakPolarHBondContact O-CD 3.49Å; L213-K279 PolarHBondContact O-NZ 3.16Å; S215-K279 PolarHBondContact O-NZ 3.07Å; S215-K279 PolarHBondContact OG-NZ 3.34Å; I218-K279 VanDerWaalsContact O-CE 3.28Å; I218-K279 WeakPolarHBondContact O-CE 3.3Å; I218-K279 PolarHBondContact O-NZ 3.37Å; Y219-K279 HydrophobicContact CE1-CG 4.23Å; F248-K279 HydrophobicContact CD1-CG 4.43Å; F248-K279 HydrophobicContact CE1-CB 4.15Å; F248-K279 HydrophobicContact CE1-CD 4.16Å; F248-K279 HydrophobicContact CE1-CG 4.03Å; F275-K279 HydrophobicContact CE1-CD 4.01Å; F275-K279 HydrophobicContact CZ-CD 4.2Å; F275-K279 WeakPolarHBondContact O-CB 3.34Å; F275-K279 PolarHBondContact O-N 2.95Å; L276-K279 PolarHBondContact O-N 3.2Å; E277-K279 VanDerWaalsContact C-N 3.33Å; E277-K279 PolarHBondContact O-N 3.09Å; K279-M282 HydrophobicContact CB-CE 4.37Å; K279-M282 PolarHBondContact O-N 3.5Å; K279-L283 HydrophobicContact CG-CD1 4.15Å; K279-L283 WeakPolarHBondContact O-CD1 3.31Å; K279-L283 WeakPolarHBondContact O-CG 3.17Å; K279-L283 PolarHBondContact O-N 2.96Å; K279-L283 VanDerWaalsContact O-N 3.08Å
280I88.6Confident84.8Confident2 Ų235.2 Ų35.21%0.0119%0.186CC..Hα-helixtrans-68.1-37177.8-165.6168.2000112.2F248 D252 I253 F256 L276 E277 M282 L283 S284F248-I280 HydrophobicContact CD1-CB 4.45Å; F248-I280 HydrophobicContact CE1-CB 4.05Å; F248-I280 HydrophobicContact CZ-CB 4.23Å; D252-I280 VanDerWaalsContact O-CD1 3.32Å; D252-I280 WeakPolarHBondContact O-CD1 3.35Å; I253-I280 HydrophobicContact CG1-CG1 4.49Å; F256-I280 HydrophobicContact CB-CD1 3.18Å; F256-I280 HydrophobicContact CD1-CD1 4.28Å; F256-I280 HydrophobicContact CD1-CG2 4.18Å; F256-I280 HydrophobicContact CD2-CD1 3.82Å; F256-I280 HydrophobicContact CE1-CG2 4.37Å; F256-I280 HydrophobicContact CG-CD1 3.51Å; F256-I280 HydrophobicContact CG-CG2 4.32Å; L276-I280 PolarHBondContact O-N 3.09Å; E277-I280 WeakPolarHBondContact O-CG2 3.44Å; I280-M282 VanDerWaalsContact C-N 3.33Å; I280-M282 PolarHBondContact O-N 3.32Å; I280-L283 PolarHBondContact O-N 3.19Å; I280-L283 VanDerWaalsContact O-N 3.13Å; I280-S284 PolarHBondContact O-N 3.09Å
281R88.5Confident84.1Confident73 Ų7335.2 Ų35.228%0.27519%0.188SC..Hα-helixtrans-61.8-40.7174.2-69.3178.6-171.3159.312111.9I253 E277 E278 L283 S284 L285 V308 L318I253-R281 HydrophobicContact CD1-CG 4.29Å; E277-R281 WeakPolarHBondContact O-CG 3.43Å; E277-R281 PolarHBondContact O-N 3.35Å; E277-R281 IonicContact OE2-NH2 2.73Å; E278-R281 PolarHBondContact O-N 3.29Å; R281-L283 VanDerWaalsContact C-N 3.34Å; R281-L283 PolarHBondContact O-N 3.34Å; R281-S284 PolarHBondContact O-N 2.95Å; R281-L285 PolarHBondContact O-N 2.83Å; R281-V308 HydrophobicContact CB-CG1 3.52Å; R281-V308 HydrophobicContact CG-CG1 3.5Å; R281-V308 VanDerWaalsContact CG-CG1 3.5Å; R281-L318 HydrophobicContact CB-CD1 3.57Å
282M87.4Confident82.9Confident3 Ų332.6 Ų32.62%0.01518%0.176CC..Hα-helixtrans-62-39.6172.7-77.2-177.2-77.700112.6Y219 E278 K279 I280 L285 L286 L327Y219-M282 HydrophobicContact CE1-CB 4.4Å; Y219-M282 HydrophobicContact CE1-CE 4.11Å; Y219-M282 HydrophobicContact CE1-SD 4.19Å; E278-M282 HydrophobicContact CB-CE 4.48Å; E278-M282 HydrophobicContact CG-CE 3.88Å; E278-M282 WeakPolarHBondContact O-CE 3.37Å; E278-M282 PolarHBondContact O-N 3.43Å; K279-M282 HydrophobicContact CB-CE 4.37Å; K279-M282 PolarHBondContact O-N 3.5Å; I280-M282 VanDerWaalsContact C-N 3.33Å; I280-M282 PolarHBondContact O-N 3.32Å; M282-L285 PolarHBondContact O-N 3.26Å; M282-L286 PolarHBondContact O-N 3.43Å; M282-L327 HydrophobicContact CB-CD1 4.23Å; M282-L327 HydrophobicContact CG-CD1 4.47Å; M282-L327 HydrophobicContact SD-CD1 3.97Å
283L87.1Confident81.2Confident5 Ų532.8 Ų32.83%0.02619%0.19CC..Hα-helixtrans-71.5-35.1178.1-70.4158.7000112.1Y219 F221 F248 K279 I280 R281 L286 S287Y219-L283 HydrophobicContact CD1-CD2 3.99Å; Y219-L283 HydrophobicContact CD1-CG 4.22Å; Y219-L283 WeakPolarHBondContact O-CD2 3.2Å; F221-L283 HydrophobicContact CE2-CD1 3.64Å; F221-L283 HydrophobicContact CE2-CD2 4.33Å; F221-L283 HydrophobicContact CZ-CD1 4.27Å; F248-L283 HydrophobicContact CB-CD1 4.2Å; F248-L283 HydrophobicContact CD1-CD1 3.5Å; F248-L283 VanDerWaalsContact CD1-CD1 3.5Å; F248-L283 HydrophobicContact CE1-CD1 4.34Å; F248-L283 HydrophobicContact CG-CD1 4.3Å; F248-L283 WeakPolarHBondContact O-CD1 3.41Å; K279-L283 HydrophobicContact CG-CD1 4.15Å; K279-L283 WeakPolarHBondContact O-CD1 3.31Å; K279-L283 WeakPolarHBondContact O-CG 3.17Å; K279-L283 PolarHBondContact O-N 2.96Å; K279-L283 VanDerWaalsContact O-N 3.08Å; I280-L283 PolarHBondContact O-N 3.19Å; I280-L283 VanDerWaalsContact O-N 3.13Å; R281-L283 VanDerWaalsContact C-N 3.34Å; R281-L283 PolarHBondContact O-N 3.34Å; L283-L286 HydrophobicContact CD2-CD2 4.49Å; L283-L286 WeakPolarHBondContact O-CB 3.49Å; L283-L286 PolarHBondContact O-N 3.25Å; L283-S287 PolarHBondContact O-N 2.91Å
284S85.1Confident79.5Confident2 Ų235.8 Ų35.81%0.01420%0.204CC..Hα-helixtrans-61.2-46.4171.9-161.20000111.1G251 I280 R281 L286 S287 M288G251-S284 WeakPolarHBondContact O-CB 3.38Å; G251-S284 PolarHBondContact O-OG 3.31Å; I280-S284 PolarHBondContact O-N 3.09Å; R281-S284 PolarHBondContact O-N 2.95Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.49Å; S284-S287 PolarHBondContact O-N 2.95Å; S284-S287 PolarHBondContact O-OG 3.45Å; S284-M288 PolarHBondContact O-N 3.32Å
285L85.3Confident77.8Confident2 Ų240.1 Ų40.11%0.0122%0.216CC..Hα-helixtrans-58.7-41.7172.1176.165.2000112R281 M282 S287 M288 A289 L299 V304 L318 I319 A322 I328R281-L285 PolarHBondContact O-N 2.83Å; M282-L285 PolarHBondContact O-N 3.26Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.31Å; L285-M288 WeakPolarHBondContact O-CB 3.29Å; L285-M288 PolarHBondContact O-N 3.32Å; L285-A289 PolarHBondContact O-N 3.31Å; L285-L299 HydrophobicContact CD1-CD1 4.41Å; L285-V304 HydrophobicContact CD1-CG1 3.89Å; L285-V304 HydrophobicContact CD1-CG2 3.94Å; L285-L318 HydrophobicContact CB-CD2 3.98Å; L285-L318 HydrophobicContact CD2-CD2 3.82Å; L285-L318 HydrophobicContact CG-CD2 4.44Å; L285-I319 HydrophobicContact CD1-CG1 4.31Å; L285-I319 HydrophobicContact CD2-CG1 3.89Å; L285-A322 HydrophobicContact CD2-CB 3.84Å; L285-I328 HydrophobicContact CD2-CD1 4.04Å
286L83.7Confident76.2Confident15 Ų1541.6 Ų41.68%0.07923%0.232CC..Hα-helixtrans-62.5-41.7177.5-163.875.5000111.7M282 L283 S284 M288 A289 F290 L327 I328 V344 M345M282-L286 PolarHBondContact O-N 3.43Å; L283-L286 HydrophobicContact CD2-CD2 4.49Å; L283-L286 WeakPolarHBondContact O-CB 3.49Å; L283-L286 PolarHBondContact O-N 3.25Å; S284-L286 VanDerWaalsContact C-N 3.31Å; S284-L286 PolarHBondContact O-N 3.49Å; L286-M288 VanDerWaalsContact C-N 3.34Å; L286-M288 PolarHBondContact O-N 3.06Å; L286-A289 PolarHBondContact O-N 2.96Å; L286-F290 PolarHBondContact O-N 2.94Å; L286-F290 VanDerWaalsContact O-N 3.1Å; L286-L327 HydrophobicContact CD1-CB 4.39Å; L286-I328 HydrophobicContact CD1-CG2 4.02Å; L286-V344 HydrophobicContact CD1-CG1 3.41Å; L286-V344 VanDerWaalsContact CD1-CG1 3.41Å; L286-V344 HydrophobicContact CG-CG1 4.01Å; L286-M345 HydrophobicContact CD1-CB 4.49Å
287S79.9Confident75.3Confident11 Ų1147.1 Ų47.18%0.07725%0.253CS..Hα-helixtrans-63.8-38.8176.781.70000112L283 S284 L285 F290 I291 R307L283-S287 PolarHBondContact O-N 2.91Å; S284-S287 PolarHBondContact O-N 2.95Å; S284-S287 PolarHBondContact O-OG 3.45Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-S287 PolarHBondContact O-N 3.31Å; S287-F290 PolarHBondContact O-N 3.3Å; S287-I291 WeakPolarHBondContact O-CG1 3.46Å; S287-I291 PolarHBondContact O-N 3.19Å; S287-I291 VanDerWaalsContact O-N 3.13Å; S287-R307 PolarHBondContact OG-NH1 3.36Å; S287-R307 PolarHBondContact OG-NH2 3.25Å; S287-R307 VanDerWaalsContact OG-NH2 3.15Å
288M79.4Confident74.9Confident15 Ų1549.2 Ų49.27%0.07426%0.263CS..Hα-helixtrans-63-44.7174.3-73.4-17869.100112S284 L285 L286 F290 L299 S303 V304 R307S284-M288 PolarHBondContact O-N 3.32Å; L285-M288 WeakPolarHBondContact O-CB 3.29Å; L285-M288 PolarHBondContact O-N 3.32Å; L286-M288 VanDerWaalsContact C-N 3.34Å; L286-M288 PolarHBondContact O-N 3.06Å; M288-F290 PolarHBondContact O-N 2.78Å; M288-L299 HydrophobicContact CB-CD1 4.26Å; M288-S303 WeakPolarHBondContact CE-OG 3.14Å; M288-V304 HydrophobicContact CE-CG2 4.16Å; M288-R307 HydrophobicContact CE-CB 4.3Å; M288-R307 HydrophobicContact CG-CG 4.22Å; M288-R307 HydrophobicContact SD-CB 3.56Å; M288-R307 VanDerWaalsContact SD-CB 3.56Å; M288-R307 HydrophobicContact SD-CG 3.8Å
289A79.2Confident74.6Confident11 Ų1148.8 Ų48.89%0.09126%0.262CS..Hα-helixtrans-64.9-26.6179.500000112.6L285 L286 I341 V344L285-A289 PolarHBondContact O-N 3.31Å; L286-A289 PolarHBondContact O-N 2.96Å; A289-I341 HydrophobicContact CB-CD1 3.43Å; A289-I341 VanDerWaalsContact CB-CD1 3.43Å; A289-I341 HydrophobicContact CB-CG2 4.49Å; A289-V344 HydrophobicContact CB-CG2 3.79Å
290F74.1Confident74.5Confident83 Ų8352.1 Ų52.136%0.36428%0.282SS..Hα-helixtrans-81.8-42.3179.5-168.9-95.2000113.2L286 S287 M288 G292 L349 E353L286-F290 PolarHBondContact O-N 2.94Å; L286-F290 VanDerWaalsContact O-N 3.1Å; S287-F290 PolarHBondContact O-N 3.3Å; M288-F290 PolarHBondContact O-N 2.78Å; F290-G292 PolarHBondContact O-N 3.23Å; F290-L349 HydrophobicContact CE1-CD2 3.68Å; F290-L349 HydrophobicContact CE2-CD2 3.79Å; F290-L349 HydrophobicContact CZ-CD1 3.83Å; F290-L349 HydrophobicContact CZ-CD2 3.26Å; F290-L349 HydrophobicContact CZ-CG 4.18Å; F290-E353 HydrophobicContact CE1-CB 4.32Å
291I67.4Low74.3Confident93 Ų9352.3 Ų52.348%0.47728%0.283SS..Hα-helixtrans-73.9-9.6-174.6-64.3165.7000112.9S287 P293S287-I291 WeakPolarHBondContact O-CG1 3.46Å; S287-I291 PolarHBondContact O-N 3.19Å; S287-I291 VanDerWaalsContact O-N 3.13Å; I291-P293 WeakPolarHBondContact O-CD 3.45Å
292G59.6Low74.1Confident38 Ų3856.4 Ų56.439%0.39231%0.305SS..  trans-48.7101.5177.700000112.6F290 N294F290-G292 PolarHBondContact O-N 3.23Å; G292-N294 PolarHBondContact O-N 3.4Å
293P49.7Very low73.9Confident104 Ų10458.5 Ų58.568%0.67532%0.32SS*.  trans-77.9-12.1-16813.9-7.3000112.9I291I291-P293 WeakPolarHBondContact O-CD 3.45Å
294N48.8Very low73.7Confident83 Ų8358.3 Ų58.344%0.44432%0.319SS..SBendtrans-124.1144.2-175.1-78.4-35.4000109.3G292 S296G292-N294 PolarHBondContact O-N 3.4Å; N294-S296 CarbonylContact O-C 3.28Å; N294-S296 VanDerWaalsContact O-C 3.28Å; N294-S296 PolarHBondContact O-N 3.32Å
295N51.7Low73.7Confident170 Ų17058.9 Ų58.991%0.90932%0.324SS*.SBendtrans-42.3-17.7171.9-100.9-10.6000115.4R297N295-R297 PolarHBondContact O-N 2.87Å
296S54.4Low73.6Confident79 Ų7963.2 Ų63.255%0.55236%0.355SS*.  trans-71.174.9164.260.30000110.8N294 E298N294-S296 CarbonylContact O-C 3.28Å; N294-S296 VanDerWaalsContact O-C 3.28Å; N294-S296 PolarHBondContact O-N 3.32Å; S296-E298 PolarHBondContact O-N 3.02Å
297R67.8Low73.4Confident116 Ų11667.6 Ų67.644%0.43837%0.37SS..  trans-69.936.5166.3-63.6-179.9179.2172.6-1.5111.9N295 V339 R340 I341 T342N295-R297 PolarHBondContact O-N 2.87Å; R297-V339 VanDerWaalsContact O-O 3.13Å; R297-R340 CarbonylContact O-C 3.54Å; R297-R340 VanDerWaalsContact O-CA 3.31Å; R297-R340 WeakPolarHBondContact O-CA 3.17Å; R297-I341 HydrophobicContact CB-CB 4.33Å; R297-I341 WeakPolarHBondContact CB-O 3.39Å; R297-I341 WeakPolarHBondContact CD-O 3.44Å; R297-I341 PolarHBondContact O-N 3.35Å; R297-T342 PolarHBondContact NH1-O 3.08Å
298E77.7Confident73.4Confident91 Ų9167.2 Ų67.243%0.42537%0.367SS..EExtended strand (participates in β ladder)trans-96.8110.7177.8-74.1-178.518000108.5S296 V339 R340S296-E298 PolarHBondContact O-N 3.02Å; E298-V339 WeakPolarHBondContact CA-O 3.41Å; E298-R340 HydrophobicContact CG-CB 4.09Å; E298-R340 HydrophobicContact CG-CG 4.17Å; E298-R340 IonicContact OE1-CZ 3.2Å; E298-R340 IonicContact OE1-NE 2.93Å; E298-R340 PolarHBondContact OE1-NE 3.47Å; E298-R340 IonicContact OE1-NH2 2.66Å; E298-R340 PolarHBondContact OE1-NH2 3.19Å
299L82.2Confident73.3Confident29 Ų2969.7 Ų69.715%0.15240%0.397CS..EExtended strand (participates in β ladder)trans-102.2129.9173.1-61.7-179.8000108.6L285 M288 V304 S338 V339 I341L285-L299 HydrophobicContact CD1-CD1 4.41Å; M288-L299 HydrophobicContact CB-CD1 4.26Å; L299-V304 HydrophobicContact CB-CG2 4.12Å; L299-V304 HydrophobicContact CD1-CG2 4.36Å; L299-S338 CarbonylContact O-C 3.48Å; L299-S338 VanDerWaalsContact O-CA 3.3Å; L299-S338 WeakPolarHBondContact O-CA 3.32Å; L299-V339 PolarHBondContact N-O 3.46Å; L299-V339 PolarHBondContact O-N 3.25Å; L299-I341 HydrophobicContact CD1-CD1 3.62Å; L299-I341 HydrophobicContact CG-CD1 4.33Å
300T86.1Confident73.2Confident69 Ų6970 Ų7042%0.42340%0.398SS..EExtended strand (participates in β ladder)trans-78.8148170.761.30000110.2Q302 S303 V304 K337T300-Q302 PolarHBondContact O-N 3.39Å; T300-S303 PolarHBondContact O-N 3.33Å; T300-S303 VanDerWaalsContact O-N 3.12Å; T300-S303 WeakPolarHBondContact OG1-CB 3.48Å; T300-S303 PolarHBondContact OG1-N 2.86Å; T300-V304 PolarHBondContact O-N 3.18Å; T300-V304 VanDerWaalsContact O-N 3.1Å; T300-K337 WeakPolarHBondContact CA-O 3.28Å
301F85.1Confident73.7Confident7 Ų770.4 Ų70.43%0.03140%0.403CS..Hα-helixtrans-58.6-33.1175.4-66.7-21.1000112.2V304 A305 E316 I319 I332 Q334 K337 V339F301-V304 PolarHBondContact O-N 2.9Å; F301-A305 WeakPolarHBondContact O-CB 3.48Å; F301-A305 PolarHBondContact O-N 2.81Å; F301-E316 HydrophobicContact CE2-CB 4.32Å; F301-E316 HydrophobicContact CE2-CG 4.29Å; F301-E316 HydrophobicContact CZ-CB 4.23Å; F301-E316 HydrophobicContact CZ-CG 3.97Å; F301-I319 HydrophobicContact CD1-CD1 3.75Å; F301-I319 HydrophobicContact CE1-CD1 3.82Å; F301-I332 HydrophobicContact CE1-CG2 4.25Å; F301-I332 HydrophobicContact CZ-CG2 3.73Å; F301-Q334 VanDerWaalsContact CE2-OE1 3.25Å; F301-K337 HydrophobicContact CB-CB 4.36Å; F301-K337 HydrophobicContact CD2-CB 3.52Å; F301-K337 HydrophobicContact CD2-CG 3.97Å; F301-K337 HydrophobicContact CE2-CB 4.07Å; F301-K337 HydrophobicContact CE2-CG 4.34Å; F301-K337 HydrophobicContact CG-CB 4.12Å; F301-K337 WeakPolarHBondContact CG-O 3.44Å; F301-K337 PolarHBondContact N-O 2.94Å; F301-V339 HydrophobicContact CD1-CG2 4Å; F301-V339 HydrophobicContact CE1-CG2 3.34Å; F301-V339 HydrophobicContact CZ-CG2 4.28Å
302Q83.8Confident74.2Confident158 Ų15867.9 Ų67.974%0.73840%0.396SS*.Hα-helixtrans-66.8-40.9176.5-170.5176.62.700112.1T300 V304 A305 S306T300-Q302 PolarHBondContact O-N 3.39Å; Q302-V304 VanDerWaalsContact C-N 3.35Å; Q302-A305 PolarHBondContact O-N 2.7Å; Q302-S306 WeakPolarHBondContact O-CB 3.37Å; Q302-S306 PolarHBondContact O-N 3.05Å; Q302-S306 PolarHBondContact O-OG 3.31Å
303S83.6Confident75.2Confident48 Ų4871.9 Ų71.934%0.33641%0.409SS..Hα-helixtrans-62.4-44.8175-178.60000110.7M288 T300 S306 R307M288-S303 WeakPolarHBondContact CE-OG 3.14Å; T300-S303 PolarHBondContact O-N 3.33Å; T300-S303 VanDerWaalsContact O-N 3.12Å; T300-S303 WeakPolarHBondContact OG1-CB 3.48Å; T300-S303 PolarHBondContact OG1-N 2.86Å; S303-S306 PolarHBondContact O-N 3.08Å; S303-S306 PolarHBondContact O-OG 3.01Å; S303-R307 PolarHBondContact O-N 3.46Å
304V83.6Confident76.8Confident1 Ų172.1 Ų72.11%0.00640%0.401CS..Hα-helixtrans-63.1-47.9176.4177.10000111.4L285 M288 L299 T300 F301 Q302 S306 R307 V308 A315 I319L285-V304 HydrophobicContact CD1-CG1 3.89Å; L285-V304 HydrophobicContact CD1-CG2 3.94Å; M288-V304 HydrophobicContact CE-CG2 4.16Å; L299-V304 HydrophobicContact CB-CG2 4.12Å; L299-V304 HydrophobicContact CD1-CG2 4.36Å; T300-V304 PolarHBondContact O-N 3.18Å; T300-V304 VanDerWaalsContact O-N 3.1Å; F301-V304 PolarHBondContact O-N 2.9Å; Q302-V304 VanDerWaalsContact C-N 3.35Å; V304-S306 VanDerWaalsContact C-N 3.33Å; V304-S306 PolarHBondContact O-N 3.1Å; V304-R307 PolarHBondContact O-N 3.2Å; V304-V308 HydrophobicContact CG1-CG2 4.11Å; V304-V308 VanDerWaalsContact O-CB 3.31Å; V304-V308 WeakPolarHBondContact O-CB 3.37Å; V304-V308 VanDerWaalsContact O-CG2 3.27Å; V304-V308 WeakPolarHBondContact O-CG2 2.84Å; V304-V308 PolarHBondContact O-N 3.29Å; V304-A315 HydrophobicContact CB-CB 4.46Å; V304-A315 HydrophobicContact CG1-CB 4.11Å; V304-I319 HydrophobicContact CG1-CD1 4.3Å; V304-I319 HydrophobicContact CG2-CD1 4.32Å
305A84.5Confident78.6Confident14 Ų1468.1 Ų68.112%0.11638%0.379CS..Hα-helixtrans-56.6-45.9177.800000111.9F301 Q302 R307 G309 V310 A315F301-A305 WeakPolarHBondContact O-CB 3.48Å; F301-A305 PolarHBondContact O-N 2.81Å; Q302-A305 PolarHBondContact O-N 2.7Å; A305-R307 PolarHBondContact O-N 2.9Å; A305-G309 WeakPolarHBondContact O-CA 3.46Å; A305-G309 PolarHBondContact O-N 3.31Å; A305-V310 WeakPolarHBondContact CA-O 3.27Å; A305-V310 VanDerWaalsContact CB-O 3.23Å; A305-V310 WeakPolarHBondContact CB-O 3.47Å; A305-V310 PolarHBondContact O-N 3.03Å; A305-A315 HydrophobicContact CB-CB 4.19Å
306S83.3Confident80.2Confident93 Ų9361.9 Ų61.965%0.6535%0.345SS*.Hα-helixtrans-63.2-39.7-179.569.30000113.3Q302 S303 V304Q302-S306 WeakPolarHBondContact O-CB 3.37Å; Q302-S306 PolarHBondContact O-N 3.05Å; Q302-S306 PolarHBondContact O-OG 3.31Å; S303-S306 PolarHBondContact O-N 3.08Å; S303-S306 PolarHBondContact O-OG 3.01Å; V304-S306 VanDerWaalsContact C-N 3.33Å; V304-S306 PolarHBondContact O-N 3.1Å
307R79.3Confident81.9Confident107 Ų10762.5 Ų62.540%0.40434%0.342SS..Hα-helixtrans-80.9-33.8-178.4-173.8144-175.5-122.4-11.9112.8S287 M288 S303 V304 A305S287-R307 PolarHBondContact OG-NH1 3.36Å; S287-R307 PolarHBondContact OG-NH2 3.25Å; S287-R307 VanDerWaalsContact OG-NH2 3.15Å; M288-R307 HydrophobicContact CE-CB 4.3Å; M288-R307 HydrophobicContact CG-CG 4.22Å; M288-R307 HydrophobicContact SD-CB 3.56Å; M288-R307 VanDerWaalsContact SD-CB 3.56Å; M288-R307 HydrophobicContact SD-CG 3.8Å; S303-R307 PolarHBondContact O-N 3.46Å; V304-R307 PolarHBondContact O-N 3.2Å; A305-R307 PolarHBondContact O-N 2.9Å
308V79.4Confident82.8Confident3 Ų357.7 Ų57.72%0.01832%0.324CS..Hα-helixtrans-84.9-16.4-179-178.80000111.9I253 R281 V304 V310 L318I253-V308 HydrophobicContact CD1-CB 4.45Å; I253-V308 HydrophobicContact CD1-CG1 4.36Å; I253-V308 VanDerWaalsContact CD1-O 3.32Å; I253-V308 WeakPolarHBondContact CD1-O 3.16Å; R281-V308 HydrophobicContact CB-CG1 3.52Å; R281-V308 HydrophobicContact CG-CG1 3.5Å; R281-V308 VanDerWaalsContact CG-CG1 3.5Å; V304-V308 HydrophobicContact CG1-CG2 4.11Å; V304-V308 VanDerWaalsContact O-CB 3.31Å; V304-V308 WeakPolarHBondContact O-CB 3.37Å; V304-V308 VanDerWaalsContact O-CG2 3.27Å; V304-V308 WeakPolarHBondContact O-CG2 2.84Å; V304-V308 PolarHBondContact O-N 3.29Å; V308-V310 HydrophobicContact CB-CG2 3.98Å; V308-V310 HydrophobicContact CG1-CB 4.49Å; V308-V310 HydrophobicContact CG1-CG1 3.98Å; V308-V310 HydrophobicContact CG1-CG2 3.78Å; V308-L318 HydrophobicContact CG1-CD2 4.48Å
309G77.3Confident83.4Confident67 Ų6753.5 Ų53.569%0.69131%0.305SS*.THydrogen-bonded Turntrans71.830.5-178.800000113.1A305A305-G309 WeakPolarHBondContact O-CA 3.46Å; A305-G309 PolarHBondContact O-N 3.31Å
310V78.8Confident83.7Confident18 Ų1856.2 Ų56.211%0.10932%0.318CS..  trans-121.6158.9-178.8-65.30000111A305 V308 Q314 A315A305-V310 WeakPolarHBondContact CA-O 3.27Å; A305-V310 VanDerWaalsContact CB-O 3.23Å; A305-V310 WeakPolarHBondContact CB-O 3.47Å; A305-V310 PolarHBondContact O-N 3.03Å; V308-V310 HydrophobicContact CB-CG2 3.98Å; V308-V310 HydrophobicContact CG1-CB 4.49Å; V308-V310 HydrophobicContact CG1-CG1 3.98Å; V308-V310 HydrophobicContact CG1-CG2 3.78Å; V310-Q314 HydrophobicContact CB-CB 4.01Å; V310-Q314 HydrophobicContact CG2-CB 4.33Å; V310-A315 HydrophobicContact CG2-CB 4.23Å
311D84Confident83.9Confident91 Ų9156.5 Ų56.549%0.48731%0.313SS..  trans-61.7155.3173.7-178.555.7000112N313 Q314 A315D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 WeakPolarHBondContact OD2-CB 3.44Å; D311-N313 PolarHBondContact OD2-N 3.13Å; D311-N313 VanDerWaalsContact OD2-N 3.1Å; D311-N313 PolarHBondContact OD2-ND2 3.12Å; D311-Q314 HydrophobicContact CB-CG 4.44Å; D311-Q314 PolarHBondContact O-N 2.94Å; D311-A315 PolarHBondContact O-N 3.31Å
312A78.3Confident84.1Confident39 Ų3956.2 Ų56.232%0.32231%0.312SS..Hα-helixtrans-57.2-36.4179.900000112.8A315 E316A312-A315 WeakPolarHBondContact O-CB 3.5Å; A312-A315 PolarHBondContact O-N 3.32Å; A312-E316 PolarHBondContact O-N 2.95Å
313N80.7Confident84.4Confident122 Ų12250.8 Ų50.865%0.65229%0.287SS*.Hα-helixtrans-70.3-35.5177.5-63.5-34.3000111.9D311 A315 L317D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 WeakPolarHBondContact OD2-CB 3.44Å; D311-N313 PolarHBondContact OD2-N 3.13Å; D311-N313 VanDerWaalsContact OD2-N 3.1Å; D311-N313 PolarHBondContact OD2-ND2 3.12Å; N313-A315 VanDerWaalsContact C-N 3.34Å; N313-L317 PolarHBondContact O-N 2.86Å
314Q83.3Confident84.7Confident109 Ų10952.8 Ų52.851%0.50930%0.301SS..Hα-helixtrans-72.7-30.6175.7-68.3-172.6-5.900111.9V310 D311 L317 L318V310-Q314 HydrophobicContact CB-CB 4.01Å; V310-Q314 HydrophobicContact CG2-CB 4.33Å; D311-Q314 HydrophobicContact CB-CG 4.44Å; D311-Q314 PolarHBondContact O-N 2.94Å; Q314-L317 PolarHBondContact O-N 3.06Å; Q314-L318 WeakPolarHBondContact O-CB 3.31Å; Q314-L318 PolarHBondContact O-N 2.9Å
315A84.9Confident85Confident0 Ų056.8 Ų56.80%032%0.316CS..Hα-helixtrans-61.7-44174.200000111.3V304 A305 V310 D311 A312 N313 L318 I319V304-A315 HydrophobicContact CB-CB 4.46Å; V304-A315 HydrophobicContact CG1-CB 4.11Å; A305-A315 HydrophobicContact CB-CB 4.19Å; V310-A315 HydrophobicContact CG2-CB 4.23Å; D311-A315 PolarHBondContact O-N 3.31Å; A312-A315 WeakPolarHBondContact O-CB 3.5Å; A312-A315 PolarHBondContact O-N 3.32Å; N313-A315 VanDerWaalsContact C-N 3.34Å; A315-L318 PolarHBondContact O-N 3.09Å; A315-I319 WeakPolarHBondContact O-CD1 3.31Å; A315-I319 WeakPolarHBondContact O-CG1 3.27Å; A315-I319 PolarHBondContact O-N 3.38Å
316E87.3Confident85.1Confident38 Ų3864.9 Ų64.918%0.17834%0.344CS..Hα-helixtrans-58.9-49174.6-174.4-177.5168.500111.5F301 A312 L318 I319 M320 Q334F301-E316 HydrophobicContact CE2-CB 4.32Å; F301-E316 HydrophobicContact CE2-CG 4.29Å; F301-E316 HydrophobicContact CZ-CB 4.23Å; F301-E316 HydrophobicContact CZ-CG 3.97Å; A312-E316 PolarHBondContact O-N 2.95Å; E316-L318 VanDerWaalsContact C-N 3.31Å; E316-L318 PolarHBondContact O-N 3.13Å; E316-I319 PolarHBondContact O-N 3.27Å; E316-M320 HydrophobicContact CG-CE 3.86Å; E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 2.86Å; E316-M320 WeakPolarHBondContact OE1-CE 3.47Å; E316-Q334 VanDerWaalsContact CD-NE2 3.31Å; E316-Q334 VanDerWaalsContact CD-OE1 3.31Å; E316-Q334 PolarHBondContact OE1-NE2 3.39Å; E316-Q334 PolarHBondContact OE1-OE1 3.13Å; E316-Q334 PolarHBondContact OE2-NE2 3.45Å; E316-Q334 PolarHBondContact OE2-OE1 2.8Å
317L88.7Confident85.3Confident93 Ų9360.6 Ų60.649%0.48731%0.314SS..Hα-helixtrans-61.3-39.2178.1-176.564.1000112.2N313 Q314 M320 K321N313-L317 PolarHBondContact O-N 2.86Å; Q314-L317 PolarHBondContact O-N 3.06Å; L317-M320 PolarHBondContact O-N 3.07Å; L317-K321 HydrophobicContact CG-CD 4.39Å; L317-K321 WeakPolarHBondContact O-CB 3.49Å; L317-K321 VanDerWaalsContact O-CG 3.29Å; L317-K321 WeakPolarHBondContact O-CG 3.22Å; L317-K321 PolarHBondContact O-N 2.72Å
318L87.9Confident85.7Confident14 Ų1455.6 Ų55.67%0.07330%0.295CS..Hα-helixtrans-64.8-41.1177.3-173.4117.4000111.4R281 L285 V308 Q314 A315 E316 K321 A322R281-L318 HydrophobicContact CB-CD1 3.57Å; L285-L318 HydrophobicContact CB-CD2 3.98Å; L285-L318 HydrophobicContact CD2-CD2 3.82Å; L285-L318 HydrophobicContact CG-CD2 4.44Å; V308-L318 HydrophobicContact CG1-CD2 4.48Å; Q314-L318 WeakPolarHBondContact O-CB 3.31Å; Q314-L318 PolarHBondContact O-N 2.9Å; A315-L318 PolarHBondContact O-N 3.09Å; E316-L318 VanDerWaalsContact C-N 3.31Å; E316-L318 PolarHBondContact O-N 3.13Å; L318-K321 PolarHBondContact O-N 3.06Å; L318-A322 WeakPolarHBondContact O-CB 3.29Å; L318-A322 PolarHBondContact O-N 2.94Å
319I88.6Confident86.1Confident3 Ų362.5 Ų62.52%0.01532%0.321CS..Hα-helixtrans-63.7-46.8175-67160.2000110.3L285 F301 V304 A315 E316 K321 A322 M323 I328 I332 V339L285-I319 HydrophobicContact CD1-CG1 4.31Å; L285-I319 HydrophobicContact CD2-CG1 3.89Å; F301-I319 HydrophobicContact CD1-CD1 3.75Å; F301-I319 HydrophobicContact CE1-CD1 3.82Å; V304-I319 HydrophobicContact CG1-CD1 4.3Å; V304-I319 HydrophobicContact CG2-CD1 4.32Å; A315-I319 WeakPolarHBondContact O-CD1 3.31Å; A315-I319 WeakPolarHBondContact O-CG1 3.27Å; A315-I319 PolarHBondContact O-N 3.38Å; E316-I319 PolarHBondContact O-N 3.27Å; I319-K321 VanDerWaalsContact C-N 3.31Å; I319-K321 PolarHBondContact O-N 3.42Å; I319-A322 PolarHBondContact O-N 3.27Å; I319-A322 VanDerWaalsContact O-N 3.17Å; I319-M323 HydrophobicContact CG2-CE 3.88Å; I319-M323 WeakPolarHBondContact O-CG 3.35Å; I319-M323 PolarHBondContact O-N 2.91Å; I319-I328 HydrophobicContact CG2-CD1 4.19Å; I319-I332 HydrophobicContact CG2-CD1 4.17Å; I319-I332 HydrophobicContact CG2-CG1 4.37Å; I319-V339 HydrophobicContact CD1-CG2 3.95Å; I319-V339 HydrophobicContact CG2-CG1 4.13Å; I319-V339 HydrophobicContact CG2-CG2 4.11Å
320M90.3Very high86.6Confident86 Ų8660.6 Ų60.642%0.42430%0.3SS..Hα-helixtrans-59.6-41.8176.8-71.5-175.5-179.600111.8E316 L317 M323 S324 I332E316-M320 HydrophobicContact CG-CE 3.86Å; E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 2.86Å; E316-M320 WeakPolarHBondContact OE1-CE 3.47Å; L317-M320 PolarHBondContact O-N 3.07Å; M320-M323 PolarHBondContact O-N 3.4Å; M320-S324 PolarHBondContact O-N 3.4Å; M320-I332 HydrophobicContact CE-CD1 4.3Å; M320-I332 HydrophobicContact CG-CD1 3.83Å
321K89.6Confident87.1Confident76 Ų7669.3 Ų69.333%0.3333%0.331SS..Hα-helixtrans-64.5-41.6174.1-75.4176.8172.8-172.90112.5E278 L317 L318 I319 M323 S324 R325E278-K321 VanDerWaalsContact OE1-CD 3.27Å; E278-K321 WeakPolarHBondContact OE1-CD 3.44Å; E278-K321 WeakPolarHBondContact OE1-CE 3.33Å; E278-K321 IonicContact OE1-NZ 3.56Å; E278-K321 PolarHBondContact OE1-NZ 3.28Å; L317-K321 HydrophobicContact CG-CD 4.39Å; L317-K321 WeakPolarHBondContact O-CB 3.49Å; L317-K321 VanDerWaalsContact O-CG 3.29Å; L317-K321 WeakPolarHBondContact O-CG 3.22Å; L317-K321 PolarHBondContact O-N 2.72Å; L318-K321 PolarHBondContact O-N 3.06Å; I319-K321 VanDerWaalsContact C-N 3.31Å; I319-K321 PolarHBondContact O-N 3.42Å; K321-M323 VanDerWaalsContact C-N 3.28Å; K321-M323 PolarHBondContact O-N 3.42Å; K321-S324 PolarHBondContact O-N 3.41Å; K321-S324 PolarHBondContact O-OG 3.39Å; K321-R325 WeakPolarHBondContact O-CG 3.34Å; K321-R325 PolarHBondContact O-N 2.93Å
322A89Confident87.3Confident1 Ų167.6 Ų67.61%0.00832%0.322CS..Hα-helixtrans-63.8-36.3176.400000111.6L285 L318 I319 R326 L327 I328L285-A322 HydrophobicContact CD2-CB 3.84Å; L318-A322 WeakPolarHBondContact O-CB 3.29Å; L318-A322 PolarHBondContact O-N 2.94Å; I319-A322 PolarHBondContact O-N 3.27Å; I319-A322 VanDerWaalsContact O-N 3.17Å; A322-R326 PolarHBondContact O-N 3.17Å; A322-L327 HydrophobicContact CB-CB 4.49Å; A322-L327 HydrophobicContact CB-CD1 4.47Å; A322-L327 WeakPolarHBondContact O-CB 3.24Å; A322-L327 PolarHBondContact O-N 2.56Å; A322-I328 HydrophobicContact CB-CD1 3.97Å; A322-I328 HydrophobicContact CB-CG1 3.87Å
323M90Very high87.7Confident43 Ų4368.7 Ų68.721%0.21232%0.322CS..Hα-helixtrans-67.4-44172.4-70.7-172.2-176.600112.4I319 M320 K321 R325 R326 I328 I332 V339I319-M323 HydrophobicContact CG2-CE 3.88Å; I319-M323 WeakPolarHBondContact O-CG 3.35Å; I319-M323 PolarHBondContact O-N 2.91Å; M320-M323 PolarHBondContact O-N 3.4Å; K321-M323 VanDerWaalsContact C-N 3.28Å; K321-M323 PolarHBondContact O-N 3.42Å; M323-R325 VanDerWaalsContact C-N 3.28Å; M323-R325 PolarHBondContact O-N 3.12Å; M323-R326 WeakPolarHBondContact O-CA 3.49Å; M323-R326 PolarHBondContact O-N 2.98Å; M323-I328 WeakPolarHBondContact CA-O 3.35Å; M323-I328 HydrophobicContact CE-CD1 4.35Å; M323-I328 HydrophobicContact CG-CD1 4.06Å; M323-I328 HydrophobicContact CG-CG1 3.81Å; M323-I332 HydrophobicContact CE-CD1 4.21Å; M323-I332 HydrophobicContact CE-CG1 3.76Å; M323-I332 HydrophobicContact SD-CD1 4.02Å; M323-I332 HydrophobicContact SD-CG1 4.12Å; M323-V339 HydrophobicContact CE-CG1 3.66Å
324S90.4Very high87.9Confident90 Ų9067.4 Ų67.463%0.62931%0.312SS*.Hα-helixtrans-65-32.8179.574.70000112.5M320 K321 R326M320-S324 PolarHBondContact O-N 3.4Å; K321-S324 PolarHBondContact O-N 3.41Å; K321-S324 PolarHBondContact O-OG 3.39Å; S324-R326 PolarHBondContact O-N 3.48Å
325R89Confident88Confident86 Ų8669.5 Ų69.533%0.32533%0.325SS..THydrogen-bonded Turntrans-79.92.3172.3-63.4-171.7-167.5-168.412.2113.9Y219 E278 K321 M323 L327Y219-R325 WeakPolarHBondContact OH-CD 3.48Å; Y219-R325 PolarHBondContact OH-NH1 3.44Å; E278-R325 IonicContact OE1-NH2 3.89Å; E278-R325 IonicContact OE2-CZ 2.72Å; E278-R325 IonicContact OE2-NH2 3.83Å; E278-R325 PolarHBondContact OE2-NH2 3.33Å; K321-R325 WeakPolarHBondContact O-CG 3.34Å; K321-R325 PolarHBondContact O-N 2.93Å; M323-R325 VanDerWaalsContact C-N 3.28Å; M323-R325 PolarHBondContact O-N 3.12Å; R325-L327 HydrophobicContact CB-CD1 4.37Å; R325-L327 HydrophobicContact CB-CG 4.03Å; R325-L327 PolarHBondContact O-N 2.99Å
326R88Confident88Confident183 Ų18376.1 Ų76.169%0.69136%0.356SS*.THydrogen-bonded Turntrans58.628.5-178.8-52.2178.4178.9-179.3-0.5113.8A322 M323 S324 W343A322-R326 PolarHBondContact O-N 3.17Å; M323-R326 WeakPolarHBondContact O-CA 3.49Å; M323-R326 PolarHBondContact O-N 2.98Å; S324-R326 PolarHBondContact O-N 3.48Å; R326-W343 WeakPolarHBondContact O-CZ3 3.47Å
327L86.8Confident88Confident4 Ų480.4 Ų80.42%0.02137%0.374CS..SBendtrans-76.1-36.6174.3-57.1179.4000111Y219 M282 L286 A322 R325 M345Y219-L327 HydrophobicContact CD1-CD1 4.04Å; Y219-L327 HydrophobicContact CD1-CD2 4.21Å; Y219-L327 HydrophobicContact CD2-CD2 3.48Å; Y219-L327 VanDerWaalsContact CD2-CD2 3.48Å; Y219-L327 HydrophobicContact CE1-CD1 3.65Å; Y219-L327 HydrophobicContact CE1-CD2 4.3Å; Y219-L327 HydrophobicContact CE2-CD1 4.25Å; Y219-L327 HydrophobicContact CE2-CD2 3.62Å; Y219-L327 HydrophobicContact CE2-CG 4.45Å; Y219-L327 HydrophobicContact CG-CD1 4.46Å; Y219-L327 HydrophobicContact CG-CD2 3.79Å; M282-L327 HydrophobicContact CB-CD1 4.23Å; M282-L327 HydrophobicContact CG-CD1 4.47Å; M282-L327 HydrophobicContact SD-CD1 3.97Å; L286-L327 HydrophobicContact CD1-CB 4.39Å; A322-L327 HydrophobicContact CB-CB 4.49Å; A322-L327 HydrophobicContact CB-CD1 4.47Å; A322-L327 WeakPolarHBondContact O-CB 3.24Å; A322-L327 PolarHBondContact O-N 2.56Å; R325-L327 HydrophobicContact CB-CD1 4.37Å; R325-L327 HydrophobicContact CB-CG 4.03Å; R325-L327 PolarHBondContact O-N 2.99Å; L327-M345 HydrophobicContact CD2-SD 3.74Å; L327-M345 WeakPolarHBondContact O-CB 3.21Å; L327-M345 PolarHBondContact O-N 3.32Å
328I88.4Confident87.9Confident2 Ų276.7 Ų76.71%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-132151.8175.557169.9000109.2L285 L286 I319 A322 M323 I341 W343 V344L285-I328 HydrophobicContact CD2-CD1 4.04Å; L286-I328 HydrophobicContact CD1-CG2 4.02Å; I319-I328 HydrophobicContact CG2-CD1 4.19Å; A322-I328 HydrophobicContact CB-CD1 3.97Å; A322-I328 HydrophobicContact CB-CG1 3.87Å; M323-I328 WeakPolarHBondContact CA-O 3.35Å; M323-I328 HydrophobicContact CE-CD1 4.35Å; M323-I328 HydrophobicContact CG-CD1 4.06Å; M323-I328 HydrophobicContact CG-CG1 3.81Å; I328-I341 HydrophobicContact CB-CG2 4.43Å; I328-I341 HydrophobicContact CD1-CD1 4.5Å; I328-W343 CarbonylContact C-O 3.39Å; I328-W343 WeakPolarHBondContact CA-O 3.36Å; I328-V344 HydrophobicContact CG2-CG2 4.46Å
329R87.4Confident87.9Confident148 Ų14876.1 Ų76.156%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-122.8140.6164-58.2-179.9175.4176.8-1.5108I341 T342 W343R329-I341 CarbonylContact O-C 3.55Å; R329-T342 PolarHBondContact O-N 3.45Å; R329-W343 HydrophobicContact CB-CB 4.05Å; R329-W343 HydrophobicContact CG-CB 4.39Å; R329-W343 HydrophobicContact CG-CE3 4.13Å; R329-W343 PolarHBondContact N-O 2.97Å; R329-W343 PolarHBondContact O-N 3.19Å
330G87.9Confident87.8Confident26 Ų2682.8 Ų82.827%0.26838%0.378SS..EExtended strand (participates in β ladder)trans-174.5-175.4-178.700000112.1R340G330-R340 CarbonylContact C-O 3.56Å; G330-R340 WeakPolarHBondContact CA-O 3.31Å
331R88.5Confident87.5Confident201 Ų20178.9 Ų78.976%0.75836%0.359SS*.EExtended strand (participates in β ladder)trans-114.8132.6170.5-65.8-175.2178.5-177.2-0.7108.5V339 R340R331-V339 WeakPolarHBondContact O-CA 3.33Å; R331-R340 PolarHBondContact N-O 3.3Å; R331-R340 PolarHBondContact O-N 2.96Å
332I88.2Confident87.2Confident56 Ų5679.6 Ų79.629%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-93.3125.5174.2-58.8174000107F301 I319 M320 M323 V339F301-I332 HydrophobicContact CE1-CG2 4.25Å; F301-I332 HydrophobicContact CZ-CG2 3.73Å; I319-I332 HydrophobicContact CG2-CD1 4.17Å; I319-I332 HydrophobicContact CG2-CG1 4.37Å; M320-I332 HydrophobicContact CE-CD1 4.3Å; M320-I332 HydrophobicContact CG-CD1 3.83Å; M323-I332 HydrophobicContact CE-CD1 4.21Å; M323-I332 HydrophobicContact CE-CG1 3.76Å; M323-I332 HydrophobicContact SD-CD1 4.02Å; M323-I332 HydrophobicContact SD-CG1 4.12Å; I332-V339 HydrophobicContact CB-CG2 4.48Å; I332-V339 HydrophobicContact CG1-CG1 4.32Å; I332-V339 HydrophobicContact CG1-CG2 4.14Å; I332-V339 HydrophobicContact CG2-CG2 4.28Å
333D88.2Confident87Confident62 Ų6284.5 Ų84.533%0.33239%0.388SS..EExtended strand (participates in β ladder)trans-104.8100.3170.1-170.5-30.2000108.8I335 H336 K337 S338D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact OD1-N 3.33Å; D333-I335 VanDerWaalsContact OD1-N 3.07Å; D333-H336 IonicContact OD1-CD2 3.77Å; D333-H336 PolarHBondContact OD1-N 2.99Å; D333-H336 IonicContact OD2-CD2 3.28Å; D333-H336 PolarHBondContact OD2-CD2 3.44Å; D333-H336 VanDerWaalsContact OD2-CD2 3.28Å; D333-H336 IonicContact OD2-CG 3.99Å; D333-K337 WeakPolarHBondContact O-CA 3.44Å; D333-K337 PolarHBondContact O-N 2.88Å; D333-S338 WeakPolarHBondContact CA-O 3.48Å; D333-S338 PolarHBondContact N-O 3.38Å; D333-S338 PolarHBondContact O-N 2.92Å
334Q84.5Confident86.7Confident95 Ų9583.7 Ų83.744%0.44439%0.385SS..THydrogen-bonded Turntrans-72.2-28.1-176.9-168.163.8-2.100112.9F301 E316 K337F301-Q334 VanDerWaalsContact CE2-OE1 3.25Å; E316-Q334 VanDerWaalsContact CD-NE2 3.31Å; E316-Q334 VanDerWaalsContact CD-OE1 3.31Å; E316-Q334 PolarHBondContact OE1-NE2 3.39Å; E316-Q334 PolarHBondContact OE1-OE1 3.13Å; E316-Q334 PolarHBondContact OE2-NE2 3.45Å; E316-Q334 PolarHBondContact OE2-OE1 2.8Å; Q334-K337 PolarHBondContact O-N 3.16Å
335I85.5Confident86.3Confident152 Ų15282.4 Ų82.478%0.77937%0.37SS*.THydrogen-bonded Turntrans-70.7-47.9-178.5-59.1173.1000108.9D333 K337D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact OD1-N 3.33Å; D333-I335 VanDerWaalsContact OD1-N 3.07Å; I335-K337 VanDerWaalsContact C-N 3.28Å; I335-K337 PolarHBondContact O-N 3.5Å
336H84.5Confident85.8Confident139 Ų13983.3 Ų83.364%0.64439%0.387SS*.THydrogen-bonded Turntrans-84.71.2177.7-68.7-65.5000113.8D333 S338D333-H336 IonicContact OD1-CD2 3.77Å; D333-H336 PolarHBondContact OD1-N 2.99Å; D333-H336 IonicContact OD2-CD2 3.28Å; D333-H336 PolarHBondContact OD2-CD2 3.44Å; D333-H336 VanDerWaalsContact OD2-CD2 3.28Å; D333-H336 IonicContact OD2-CG 3.99Å; H336-S338 PolarHBondContact O-N 3.45Å
337K86.5Confident85.2Confident129 Ų12976.5 Ų76.556%0.56136%0.362SS*.THydrogen-bonded Turntrans47.945.6-175.4-64.8-175.6-179.8-177.60111.8T300 F301 D333 Q334 I335T300-K337 WeakPolarHBondContact CA-O 3.28Å; F301-K337 HydrophobicContact CB-CB 4.36Å; F301-K337 HydrophobicContact CD2-CB 3.52Å; F301-K337 HydrophobicContact CD2-CG 3.97Å; F301-K337 HydrophobicContact CE2-CB 4.07Å; F301-K337 HydrophobicContact CE2-CG 4.34Å; F301-K337 HydrophobicContact CG-CB 4.12Å; F301-K337 WeakPolarHBondContact CG-O 3.44Å; F301-K337 PolarHBondContact N-O 2.94Å; D333-K337 WeakPolarHBondContact O-CA 3.44Å; D333-K337 PolarHBondContact O-N 2.88Å; Q334-K337 PolarHBondContact O-N 3.16Å; I335-K337 VanDerWaalsContact C-N 3.28Å; I335-K337 PolarHBondContact O-N 3.5Å
338S87.2Confident84.6Confident14 Ų1477.9 Ų77.910%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-134.9157.4-174.774.10000111.7L299 D333 H336L299-S338 CarbonylContact O-C 3.48Å; L299-S338 VanDerWaalsContact O-CA 3.3Å; L299-S338 WeakPolarHBondContact O-CA 3.32Å; D333-S338 WeakPolarHBondContact CA-O 3.48Å; D333-S338 PolarHBondContact N-O 3.38Å; D333-S338 PolarHBondContact O-N 2.92Å; H336-S338 PolarHBondContact O-N 3.45Å
339V87Confident83.8Confident2 Ų279.3 Ų79.31%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-132.2119.9-178.6-177.50000109.1R297 E298 L299 F301 I319 M323 R331 I332 I341R297-V339 VanDerWaalsContact O-O 3.13Å; E298-V339 WeakPolarHBondContact CA-O 3.41Å; L299-V339 PolarHBondContact N-O 3.46Å; L299-V339 PolarHBondContact O-N 3.25Å; F301-V339 HydrophobicContact CD1-CG2 4Å; F301-V339 HydrophobicContact CE1-CG2 3.34Å; F301-V339 HydrophobicContact CZ-CG2 4.28Å; I319-V339 HydrophobicContact CD1-CG2 3.95Å; I319-V339 HydrophobicContact CG2-CG1 4.13Å; I319-V339 HydrophobicContact CG2-CG2 4.11Å; M323-V339 HydrophobicContact CE-CG1 3.66Å; R331-V339 WeakPolarHBondContact O-CA 3.33Å; I332-V339 HydrophobicContact CB-CG2 4.48Å; I332-V339 HydrophobicContact CG1-CG1 4.32Å; I332-V339 HydrophobicContact CG1-CG2 4.14Å; I332-V339 HydrophobicContact CG2-CG2 4.28Å; V339-I341 HydrophobicContact CG1-CG1 4.1Å
340R86.7Confident83.1Confident143 Ų14374.6 Ų74.654%0.5436%0.363SS..EExtended strand (participates in β ladder)trans-89.1110.5171.5-170.4-179.9-67.4175.10.7109.6R297 E298 G330 R331R297-R340 CarbonylContact O-C 3.54Å; R297-R340 VanDerWaalsContact O-CA 3.31Å; R297-R340 WeakPolarHBondContact O-CA 3.17Å; E298-R340 HydrophobicContact CG-CB 4.09Å; E298-R340 HydrophobicContact CG-CG 4.17Å; E298-R340 IonicContact OE1-CZ 3.2Å; E298-R340 IonicContact OE1-NE 2.93Å; E298-R340 PolarHBondContact OE1-NE 3.47Å; E298-R340 IonicContact OE1-NH2 2.66Å; E298-R340 PolarHBondContact OE1-NH2 3.19Å; G330-R340 CarbonylContact C-O 3.56Å; G330-R340 WeakPolarHBondContact CA-O 3.31Å; R331-R340 PolarHBondContact N-O 3.3Å; R331-R340 PolarHBondContact O-N 2.96Å
341I85.1Confident82.7Confident5 Ų584.3 Ų84.33%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-87.1122.1179-58.9179.3000109.4A289 R297 L299 I328 R329 V339 W343 V344A289-I341 HydrophobicContact CB-CD1 3.43Å; A289-I341 VanDerWaalsContact CB-CD1 3.43Å; A289-I341 HydrophobicContact CB-CG2 4.49Å; R297-I341 HydrophobicContact CB-CB 4.33Å; R297-I341 WeakPolarHBondContact CB-O 3.39Å; R297-I341 WeakPolarHBondContact CD-O 3.44Å; R297-I341 PolarHBondContact O-N 3.35Å; L299-I341 HydrophobicContact CD1-CD1 3.62Å; L299-I341 HydrophobicContact CG-CD1 4.33Å; I328-I341 HydrophobicContact CB-CG2 4.43Å; I328-I341 HydrophobicContact CD1-CD1 4.5Å; R329-I341 CarbonylContact O-C 3.55Å; V339-I341 HydrophobicContact CG1-CG1 4.1Å; I341-W343 WeakPolarHBondContact CG2-O 3.01Å; I341-V344 HydrophobicContact CG2-CG2 3.66Å
342T83.3Confident82.2Confident90 Ų9084.4 Ų84.455%0.55239%0.392SS*.EExtended strand (participates in β ladder)trans-96.7-25.4179-46.70000112.2R297 R329R297-T342 PolarHBondContact NH1-O 3.08Å; R329-T342 PolarHBondContact O-N 3.45Å
343W84Confident81.6Confident104 Ų10482.7 Ų82.739%0.39438%0.383SS..EExtended strand (participates in β ladder)trans-153.8146-178-175.691.8000110.7R326 I328 R329 I341 M345 P346R326-W343 WeakPolarHBondContact O-CZ3 3.47Å; I328-W343 CarbonylContact C-O 3.39Å; I328-W343 WeakPolarHBondContact CA-O 3.36Å; R329-W343 HydrophobicContact CB-CB 4.05Å; R329-W343 HydrophobicContact CG-CB 4.39Å; R329-W343 HydrophobicContact CG-CE3 4.13Å; R329-W343 PolarHBondContact N-O 2.97Å; R329-W343 PolarHBondContact O-N 3.19Å; I341-W343 WeakPolarHBondContact CG2-O 3.01Å; W343-M345 HydrophobicContact CH2-CB 4.17Å; W343-M345 HydrophobicContact CZ3-CB 4.13Å; W343-P346 HydrophobicContact CZ2-CG 4.36Å
344V83.9Confident81.2Confident27 Ų2783.8 Ų83.816%0.16439%0.387CS..EExtended strand (participates in β ladder)trans-129.3141.1179.7-178.30000107.9L286 A289 I328 I341L286-V344 HydrophobicContact CD1-CG1 3.41Å; L286-V344 VanDerWaalsContact CD1-CG1 3.41Å; L286-V344 HydrophobicContact CG-CG1 4.01Å; A289-V344 HydrophobicContact CB-CG2 3.79Å; I328-V344 HydrophobicContact CG2-CG2 4.46Å; I341-V344 HydrophobicContact CG2-CG2 3.66Å
345M82.5Confident81.2Confident63 Ų6381 Ų8131%0.3138%0.384SS..  trans-57.1129.3176.8-177.9176.3-177.500110.5L286 L327 W343 K347L286-M345 HydrophobicContact CD1-CB 4.49Å; L327-M345 HydrophobicContact CD2-SD 3.74Å; L327-M345 WeakPolarHBondContact O-CB 3.21Å; L327-M345 PolarHBondContact O-N 3.32Å; W343-M345 HydrophobicContact CH2-CB 4.17Å; W343-M345 HydrophobicContact CZ3-CB 4.13Å; M345-K347 PolarHBondContact O-N 2.94Å
346P76.9Confident80.9Confident105 Ų10577.9 Ų77.968%0.68237%0.369SS*.  trans-57.2125.4174.7-24.833.5000110.7W343W343-P346 HydrophobicContact CZ2-CG 4.36Å
347K76.5Confident80.7Confident39 Ų3976.1 Ų76.117%0.1736%0.363CS..  trans-112.9150.2173.8-175-166.7157.5-164.30108.2S249 M345 L349 E353S249-K347 VanDerWaalsContact O-CE 3.26Å; S249-K347 WeakPolarHBondContact O-CE 3.35Å; S249-K347 PolarHBondContact O-NZ 3.32Å; S249-K347 WeakPolarHBondContact OG-CE 3.42Å; M345-K347 PolarHBondContact O-N 2.94Å; K347-L349 PolarHBondContact O-N 3.02Å; K347-E353 IonicContact NZ-OE1 2.97Å; K347-E353 PolarHBondContact NZ-OE1 2.91Å; K347-E353 IonicContact NZ-OE2 3.66Å
348I72.9Confident80.6Confident34 Ų3472.2 Ų72.217%0.17435%0.354CS..PPolyproline II helixtrans-69.1121165.9-66.2165.1000108.3Y223Y223-I348 HydrophobicContact CD1-CD1 3.56Å; Y223-I348 HydrophobicContact CD2-CD1 3.13Å; Y223-I348 HydrophobicContact CD2-CG1 4.24Å; Y223-I348 HydrophobicContact CE1-CD1 3.7Å; Y223-I348 HydrophobicContact CE2-CD1 3.27Å; Y223-I348 HydrophobicContact CE2-CG1 3.95Å; Y223-I348 HydrophobicContact CG-CD1 3.25Å
349L71.9Confident80.5Confident32 Ų3277.9 Ų77.917%0.16838%0.379CS..PPolyproline II helixtrans-80.8134.7-179.4-55.3179.9000110.2F290 K347 E353 I354 M357F290-L349 HydrophobicContact CE1-CD2 3.68Å; F290-L349 HydrophobicContact CE2-CD2 3.79Å; F290-L349 HydrophobicContact CZ-CD1 3.83Å; F290-L349 HydrophobicContact CZ-CD2 3.26Å; F290-L349 HydrophobicContact CZ-CG 4.18Å; K347-L349 PolarHBondContact O-N 3.02Å; L349-E353 VanDerWaalsContact CA-OE2 3.28Å; L349-E353 WeakPolarHBondContact CA-OE2 3.39Å; L349-E353 HydrophobicContact CB-CB 4.01Å; L349-E353 HydrophobicContact CD2-CB 4.07Å; L349-I354 HydrophobicContact CB-CD1 4.31Å; L349-I354 HydrophobicContact CB-CG1 3.63Å; L349-I354 HydrophobicContact CD1-CG1 4.38Å; L349-M357 HydrophobicContact CD1-CE 4.36Å; L349-M357 HydrophobicContact CD1-SD 3.94Å
350N73.9Confident80.2Confident49 Ų4980.2 Ų80.226%0.26240%0.398SS..PPolyproline II helixtrans-76.1169.3167.564.134.3000110N250 R352 E353 I354N250-N350 PolarHBondContact OD1-ND2 3.25Å; N350-R352 PolarHBondContact O-N 3.26Å; N350-R352 VanDerWaalsContact O-N 3.12Å; N350-R352 PolarHBondContact OD1-N 3.23Å; N350-E353 VanDerWaalsContact CG-OE2 3.24Å; N350-E353 PolarHBondContact N-OE2 2.92Å; N350-E353 PolarHBondContact ND2-OE2 2.91Å; N350-E353 PolarHBondContact O-N 3.19Å; N350-E353 WeakPolarHBondContact OD1-CB 3.42Å; N350-E353 WeakPolarHBondContact OD1-CG 3.14Å; N350-E353 PolarHBondContact OD1-N 3.3Å; N350-E353 PolarHBondContact OD1-OE2 2.99Å; N350-I354 WeakPolarHBondContact O-CG1 3.3Å; N350-I354 PolarHBondContact O-N 3.11Å
351R78.2Confident80Confident230 Ų23079.4 Ų79.487%0.86840%0.399SS*.Hα-helixtrans-59.3-27.7-177.2-167.1173.1-177.3179.10.7113.3G355R351-G355 PolarHBondContact O-N 3.26Å
352R78.1Confident80.1Confident203 Ų20386 Ų8677%0.76643%0.427SS*.Hα-helixtrans-73.3-51.5177.6-63.3-179.4-1761630.5110.9N350 I354 G355 D356N350-R352 PolarHBondContact O-N 3.26Å; N350-R352 VanDerWaalsContact O-N 3.12Å; N350-R352 PolarHBondContact OD1-N 3.23Å; R352-I354 VanDerWaalsContact C-N 3.27Å; R352-I354 PolarHBondContact O-N 3.34Å; R352-G355 VanDerWaalsContact O-CA 3.27Å; R352-G355 WeakPolarHBondContact O-CA 3.08Å; R352-G355 PolarHBondContact O-N 3.16Å; R352-D356 PolarHBondContact O-N 3.47Å
353E75.7Confident80.2Confident19 Ų1985.4 Ų85.49%0.08942%0.421CS..Hα-helixtrans-60.7-34.5177.3-69.5165.1152.600112.2F290 K347 L349 N350 G355 D356 M357F290-E353 HydrophobicContact CE1-CB 4.32Å; K347-E353 IonicContact NZ-OE1 2.97Å; K347-E353 PolarHBondContact NZ-OE1 2.91Å; K347-E353 IonicContact NZ-OE2 3.66Å; L349-E353 VanDerWaalsContact CA-OE2 3.28Å; L349-E353 WeakPolarHBondContact CA-OE2 3.39Å; L349-E353 HydrophobicContact CB-CB 4.01Å; L349-E353 HydrophobicContact CD2-CB 4.07Å; N350-E353 VanDerWaalsContact CG-OE2 3.24Å; N350-E353 PolarHBondContact N-OE2 2.92Å; N350-E353 PolarHBondContact ND2-OE2 2.91Å; N350-E353 PolarHBondContact O-N 3.19Å; N350-E353 WeakPolarHBondContact OD1-CB 3.42Å; N350-E353 WeakPolarHBondContact OD1-CG 3.14Å; N350-E353 PolarHBondContact OD1-N 3.3Å; N350-E353 PolarHBondContact OD1-OE2 2.99Å; E353-G355 VanDerWaalsContact C-N 3.3Å; E353-D356 PolarHBondContact O-N 2.93Å; E353-M357 WeakPolarHBondContact O-CB 3.42Å; E353-M357 PolarHBondContact O-N 3.47Å
354I81.2Confident80.1Confident85 Ų8588.1 Ų88.144%0.43643%0.431SS..Hα-helixtrans-64.5-38171.7-66.3164.7000110.8L349 N350 R352 M357 A358L349-I354 HydrophobicContact CB-CD1 4.31Å; L349-I354 HydrophobicContact CB-CG1 3.63Å; L349-I354 HydrophobicContact CD1-CG1 4.38Å; N350-I354 WeakPolarHBondContact O-CG1 3.3Å; N350-I354 PolarHBondContact O-N 3.11Å; R352-I354 VanDerWaalsContact C-N 3.27Å; R352-I354 PolarHBondContact O-N 3.34Å; I354-M357 PolarHBondContact O-N 3.12Å; I354-A358 WeakPolarHBondContact O-CB 3.4Å; I354-A358 PolarHBondContact O-N 3.15Å
355G83.6Confident80.2Confident36 Ų3688.4 Ų88.437%0.37143%0.434SS..Hα-helixtrans-60.4-48.3173.500000111.8R351 R352 E353 M357 A358 E359R351-G355 PolarHBondContact O-N 3.26Å; R352-G355 VanDerWaalsContact O-CA 3.27Å; R352-G355 WeakPolarHBondContact O-CA 3.08Å; R352-G355 PolarHBondContact O-N 3.16Å; E353-G355 VanDerWaalsContact C-N 3.3Å; G355-M357 VanDerWaalsContact C-N 3.32Å; G355-M357 PolarHBondContact O-N 3.03Å; G355-A358 WeakPolarHBondContact O-CB 3.46Å; G355-A358 PolarHBondContact O-N 3.21Å; G355-A358 VanDerWaalsContact O-N 3.16Å; G355-E359 PolarHBondContact O-N 3.24Å
356D80.1Confident80.5Confident87 Ų8789.6 Ų89.647%0.46544%0.442SS..Hα-helixtrans-61.8-40.7178-55.5-25.7000111.4R352 E353 E359 A360R352-D356 PolarHBondContact O-N 3.47Å; E353-D356 PolarHBondContact O-N 2.93Å; D356-E359 PolarHBondContact O-N 3.15Å; D356-A360 WeakPolarHBondContact O-CB 3.36Å; D356-A360 PolarHBondContact O-N 3.5Å
357M78.6Confident81Confident103 Ų10389.4 Ų89.451%0.50743%0.43SS..Hα-helixtrans-66.1-39.3175.8-170.3-179.272.400111.9L349 E353 I354 G355 E359 A360 F361L349-M357 HydrophobicContact CD1-CE 4.36Å; L349-M357 HydrophobicContact CD1-SD 3.94Å; E353-M357 WeakPolarHBondContact O-CB 3.42Å; E353-M357 PolarHBondContact O-N 3.47Å; I354-M357 PolarHBondContact O-N 3.12Å; G355-M357 VanDerWaalsContact C-N 3.32Å; G355-M357 PolarHBondContact O-N 3.03Å; M357-E359 VanDerWaalsContact C-N 3.32Å; M357-A360 PolarHBondContact O-N 3.5Å; M357-F361 WeakPolarHBondContact O-CB 3.5Å; M357-F361 PolarHBondContact O-N 3.38Å
358A84.9Confident81.5Confident47 Ų4789.8 Ų89.839%0.38844%0.44SS..Hα-helixtrans-65.3-37.6175.600000111.4I354 G355 F361 K362I354-A358 WeakPolarHBondContact O-CB 3.4Å; I354-A358 PolarHBondContact O-N 3.15Å; G355-A358 WeakPolarHBondContact O-CB 3.46Å; G355-A358 PolarHBondContact O-N 3.21Å; G355-A358 VanDerWaalsContact O-N 3.16Å; A358-F361 PolarHBondContact O-N 3Å; A358-K362 VanDerWaalsContact O-CG 3.32Å; A358-K362 WeakPolarHBondContact O-CG 3.3Å; A358-K362 PolarHBondContact O-N 3.48Å
359E85.3Confident82.3Confident133 Ų13393.8 Ų93.862%0.62146%0.456SS*.Hα-helixtrans-67.3-44.8174.1-172173.4-171.700112G355 D356 M357 F361 K362 L363G355-E359 PolarHBondContact O-N 3.24Å; D356-E359 PolarHBondContact O-N 3.15Å; M357-E359 VanDerWaalsContact C-N 3.32Å; E359-F361 VanDerWaalsContact C-N 3.29Å; E359-F361 PolarHBondContact O-N 3.39Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 3.05Å; E359-K362 VanDerWaalsContact O-N 3.16Å; E359-L363 PolarHBondContact O-N 3.21Å
360A80.4Confident83Confident50 Ų5098.5 Ų98.541%0.41348%0.479SS..Hα-helixtrans-60.4-39.6174.400000112D356 M357 L363 W364D356-A360 WeakPolarHBondContact O-CB 3.36Å; D356-A360 PolarHBondContact O-N 3.5Å; M357-A360 PolarHBondContact O-N 3.5Å; A360-L363 PolarHBondContact O-N 3.16Å; A360-W364 WeakPolarHBondContact O-CB 3.35Å; A360-W364 PolarHBondContact O-N 3.46Å
361F82.9Confident83.7Confident127 Ų127100.6 Ų100.656%0.55749%0.494SS*.Hα-helixtrans-67-39.1175.2-171.1-99.5000112.2M357 A358 E359 W364 C365M357-F361 WeakPolarHBondContact O-CB 3.5Å; M357-F361 PolarHBondContact O-N 3.38Å; A358-F361 PolarHBondContact O-N 3Å; E359-F361 VanDerWaalsContact C-N 3.29Å; E359-F361 PolarHBondContact O-N 3.39Å; F361-W364 HydrophobicContact CD2-CE3 4.18Å; F361-W364 AromaticContact CE2-CE3 3.88Å; F361-W364 HydrophobicContact CE2-CE3 3.88Å; F361-W364 AromaticContact CE2-CZ3 3.93Å; F361-W364 HydrophobicContact CE2-CZ3 3.93Å; F361-W364 HydrophobicContact CZ-CE3 4.47Å; F361-W364 HydrophobicContact CZ-CZ3 4.38Å; F361-W364 PolarHBondContact O-N 3.4Å; F361-C365 WeakPolarHBondContact CE1-SG 3.41Å; F361-C365 WeakPolarHBondContact O-CB 3.23Å; F361-C365 PolarHBondContact O-N 3.24Å; F361-C365 PolarHBondContact O-SG 2.53Å
362K87.5Confident84.1Confident142 Ų14294.5 Ų94.562%0.61748%0.477SS*.Hα-helixtrans-60.7-49.8172.3-76.4174.6-177.4-179.70111.1A358 E359 W364 C365 D366A358-K362 VanDerWaalsContact O-CG 3.32Å; A358-K362 WeakPolarHBondContact O-CG 3.3Å; A358-K362 PolarHBondContact O-N 3.48Å; E359-K362 WeakPolarHBondContact O-CB 3.38Å; E359-K362 PolarHBondContact O-N 3.05Å; E359-K362 VanDerWaalsContact O-N 3.16Å; K362-W364 VanDerWaalsContact C-N 3.26Å; K362-W364 PolarHBondContact O-N 3.05Å; K362-C365 WeakPolarHBondContact O-CB 3.3Å; K362-C365 PolarHBondContact O-N 3.22Å; K362-C365 VanDerWaalsContact O-N 3.1Å; K362-D366 VanDerWaalsContact O-CG 3.23Å; K362-D366 PolarHBondContact O-N 2.83Å
363L84.9Confident84.6Confident79 Ų7992.8 Ų92.841%0.41447%0.471SS..Hα-helixtrans-59.2-38.5177.2-177.665.3000111.9E359 A360 D366 K367E359-L363 PolarHBondContact O-N 3.21Å; A360-L363 PolarHBondContact O-N 3.16Å; L363-D366 PolarHBondContact O-N 3.28Å; L363-K367 HydrophobicContact CG-CD 4.49Å; L363-K367 WeakPolarHBondContact O-CB 3.39Å; L363-K367 VanDerWaalsContact O-CG 3.32Å; L363-K367 WeakPolarHBondContact O-CG 3.45Å; L363-K367 PolarHBondContact O-N 2.93Å
364W82.3Confident85Confident160 Ų16094.8 Ų94.861%0.60649%0.487SS*.Hα-helixtrans-67.1-43.2175.1-17873.1000112.2A360 F361 K362 D366 K367 A368A360-W364 WeakPolarHBondContact O-CB 3.35Å; A360-W364 PolarHBondContact O-N 3.46Å; F361-W364 HydrophobicContact CD2-CE3 4.18Å; F361-W364 AromaticContact CE2-CE3 3.88Å; F361-W364 HydrophobicContact CE2-CE3 3.88Å; F361-W364 AromaticContact CE2-CZ3 3.93Å; F361-W364 HydrophobicContact CE2-CZ3 3.93Å; F361-W364 HydrophobicContact CZ-CE3 4.47Å; F361-W364 HydrophobicContact CZ-CZ3 4.38Å; F361-W364 PolarHBondContact O-N 3.4Å; K362-W364 VanDerWaalsContact C-N 3.26Å; K362-W364 PolarHBondContact O-N 3.05Å; W364-D366 VanDerWaalsContact C-N 3.28Å; W364-D366 PolarHBondContact O-N 3.45Å; W364-K367 PolarHBondContact O-N 2.73Å; W364-A368 WeakPolarHBondContact O-CB 3.24Å; W364-A368 PolarHBondContact O-N 2.94Å
365C85.9Confident85.2Confident33 Ų3395 Ų9522%0.22349%0.492CS..Hα-helixtrans-60.3-39.7173.3-69.80000111.5F361 K362 A368 K369F361-C365 WeakPolarHBondContact CE1-SG 3.41Å; F361-C365 WeakPolarHBondContact O-CB 3.23Å; F361-C365 PolarHBondContact O-N 3.24Å; F361-C365 PolarHBondContact O-SG 2.53Å; K362-C365 WeakPolarHBondContact O-CB 3.3Å; K362-C365 PolarHBondContact O-N 3.22Å; K362-C365 VanDerWaalsContact O-N 3.1Å; C365-A368 PolarHBondContact O-N 3.22Å; C365-K369 WeakPolarHBondContact O-CB 3.35Å; C365-K369 VanDerWaalsContact O-CG 3.27Å; C365-K369 WeakPolarHBondContact O-CG 3.46Å; C365-K369 PolarHBondContact O-N 2.72Å
366D88.8Confident85.3Confident89 Ų8998.2 Ų98.248%0.47650%0.498SS..Hα-helixtrans-68.6-40.2178.5-66-24.8000111.4K362 L363 W364 K369 M370K362-D366 VanDerWaalsContact O-CG 3.23Å; K362-D366 PolarHBondContact O-N 2.83Å; L363-D366 PolarHBondContact O-N 3.28Å; W364-D366 VanDerWaalsContact C-N 3.28Å; W364-D366 PolarHBondContact O-N 3.45Å; D366-K369 PolarHBondContact O-N 2.75Å; D366-M370 WeakPolarHBondContact O-CB 3.22Å; D366-M370 PolarHBondContact O-N 2.99Å
367K87.4Confident85.3Confident101 Ų10199.7 Ų99.744%0.43951%0.505SS..Hα-helixtrans-62-43170.8-74173.8-178175.90111.9L363 W364 M370 V371L363-K367 HydrophobicContact CG-CD 4.49Å; L363-K367 WeakPolarHBondContact O-CB 3.39Å; L363-K367 VanDerWaalsContact O-CG 3.32Å; L363-K367 WeakPolarHBondContact O-CG 3.45Å; L363-K367 PolarHBondContact O-N 2.93Å; W364-K367 PolarHBondContact O-N 2.73Å; K367-M370 WeakPolarHBondContact O-CB 3.29Å; K367-M370 PolarHBondContact O-N 3.38Å; K367-V371 WeakPolarHBondContact O-CG2 3.43Å; K367-V371 PolarHBondContact O-N 3.28Å
368A87.7Confident85Confident46 Ų46102.1 Ų102.138%0.3852%0.516SS..Hα-helixtrans-65.1-41.3177.700000112W364 C365 M370 V371 L372W364-A368 WeakPolarHBondContact O-CB 3.24Å; W364-A368 PolarHBondContact O-N 2.94Å; C365-A368 PolarHBondContact O-N 3.22Å; A368-M370 VanDerWaalsContact C-N 3.34Å; A368-V371 PolarHBondContact O-N 2.99Å; A368-L372 WeakPolarHBondContact O-CB 3.18Å; A368-L372 PolarHBondContact O-N 3.39Å
369K90Very high83.8Confident119 Ų119103.1 Ų103.152%0.51753%0.53SS..Hα-helixtrans-63.5-39.3172.8-74170.8-174.5170.90112.1C365 D366 L372 R373C365-K369 WeakPolarHBondContact O-CB 3.35Å; C365-K369 VanDerWaalsContact O-CG 3.27Å; C365-K369 WeakPolarHBondContact O-CG 3.46Å; C365-K369 PolarHBondContact O-N 2.72Å; D366-K369 PolarHBondContact O-N 2.75Å; K369-L372 PolarHBondContact O-N 3.3Å; K369-R373 WeakPolarHBondContact O-CG 3.39Å; K369-R373 PolarHBondContact O-N 3.4Å
370M86.7Confident82.3Confident131 Ų131102.5 Ų102.565%0.64554%0.535SS*.Hα-helixtrans-62.7-43.8175.7-177.6-178.5151.900111.1D366 K367 A368 R373 S374D366-M370 WeakPolarHBondContact O-CB 3.22Å; D366-M370 PolarHBondContact O-N 2.99Å; K367-M370 WeakPolarHBondContact O-CB 3.29Å; K367-M370 PolarHBondContact O-N 3.38Å; A368-M370 VanDerWaalsContact C-N 3.34Å; M370-R373 PolarHBondContact O-N 3.17Å; M370-S374 PolarHBondContact O-N 3.19Å; M370-S374 PolarHBondContact O-OG 3.2Å
371V88.3Confident80.8Confident93 Ų93105.4 Ų105.456%0.56455%0.547SS*.Hα-helixtrans-64.3-43.2174.51740000111.4K367 A368 R373 S374 V375K367-V371 WeakPolarHBondContact O-CG2 3.43Å; K367-V371 PolarHBondContact O-N 3.28Å; A368-V371 PolarHBondContact O-N 2.99Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 PolarHBondContact O-N 3.26Å; V371-S374 WeakPolarHBondContact O-CB 3.27Å; V371-S374 PolarHBondContact O-N 3.44Å; V371-S374 VanDerWaalsContact O-N 3.16Å; V371-V375 WeakPolarHBondContact O-CG2 3.25Å; V371-V375 PolarHBondContact O-N 2.9Å
372L86.7Confident78.7Confident101 Ų101103.7 Ų103.753%0.52955%0.551SS.*Hα-helixtrans-58-46.5176.3-167.289.6000111.2A368 K369 S374 V375 E376A368-L372 WeakPolarHBondContact O-CB 3.18Å; A368-L372 PolarHBondContact O-N 3.39Å; K369-L372 PolarHBondContact O-N 3.3Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.35Å; L372-V375 PolarHBondContact O-N 2.84Å; L372-V375 VanDerWaalsContact O-N 3.13Å; L372-E376 WeakPolarHBondContact O-CG 3.46Å; L372-E376 PolarHBondContact O-N 2.94Å
373R87.1Confident76.5Confident167 Ų167102.7 Ų102.763%0.6356%0.56SS**Hα-helixtrans-61.7-37.6176.1-74.6177.4179.8178.9-0.3112.5K369 M370 V371 V375 N377K369-R373 WeakPolarHBondContact O-CG 3.39Å; K369-R373 PolarHBondContact O-N 3.4Å; M370-R373 PolarHBondContact O-N 3.17Å; V371-R373 VanDerWaalsContact C-N 3.34Å; V371-R373 PolarHBondContact O-N 3.26Å; R373-V375 VanDerWaalsContact C-N 3.34Å; R373-N377 VanDerWaalsContact O-CB 3.3Å; R373-N377 WeakPolarHBondContact O-CB 3.4Å; R373-N377 PolarHBondContact O-N 2.84Å; R373-N377 PolarHBondContact O-ND2 2.76Å
374S85.5Confident74.5Confident61 Ų61104.9 Ų104.943%0.42758%0.578SS.*Hα-helixtrans-62.6-42.1173.9-63.50000111.4M370 V371 L372 E378M370-S374 PolarHBondContact O-N 3.19Å; M370-S374 PolarHBondContact O-OG 3.2Å; V371-S374 WeakPolarHBondContact O-CB 3.27Å; V371-S374 PolarHBondContact O-N 3.44Å; V371-S374 VanDerWaalsContact O-N 3.16Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.35Å; S374-E378 WeakPolarHBondContact O-CG 3.48Å; S374-E378 PolarHBondContact O-N 3.3Å; S374-E378 VanDerWaalsContact O-N 3.12Å
375V85.4Confident72.3Confident89 Ų89102.1 Ų102.154%0.53959%0.59SS.*Hα-helixtrans-69.9-40.4177.8177.40000112V371 L372 R373 E378 G379V371-V375 WeakPolarHBondContact O-CG2 3.25Å; V371-V375 PolarHBondContact O-N 2.9Å; L372-V375 PolarHBondContact O-N 2.84Å; L372-V375 VanDerWaalsContact O-N 3.13Å; R373-V375 VanDerWaalsContact C-N 3.34Å; V375-E378 PolarHBondContact O-N 3.13Å; V375-G379 PolarHBondContact O-N 3.44Å
376E84.1Confident69.9Low105 Ų105111.8 Ų111.849%0.49162%0.622SS.*Hα-helixtrans-64-43175.5-74.6175.4167.800111.6L372 E378 G379 V380L372-E376 WeakPolarHBondContact O-CG 3.46Å; L372-E376 PolarHBondContact O-N 2.94Å; E376-E378 VanDerWaalsContact C-N 3.28Å; E376-E378 PolarHBondContact O-N 3.08Å; E376-G379 PolarHBondContact O-N 3.27Å; E376-G379 VanDerWaalsContact O-N 3.12Å; E376-V380 VanDerWaalsContact O-CG2 3.29Å; E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.46Å
377N80.9Confident67.2Low117 Ų117116.5 Ų116.563%0.62664%0.641SS**Hα-helixtrans-64.1-33.7176.3-75.9-16.2000112.2R373 V381R373-N377 VanDerWaalsContact O-CB 3.3Å; R373-N377 WeakPolarHBondContact O-CB 3.4Å; R373-N377 PolarHBondContact O-N 2.84Å; R373-N377 PolarHBondContact O-ND2 2.76Å; N377-V381 WeakPolarHBondContact O-CG2 2.99Å
378E73.2Confident64.7Low155 Ų155119.7 Ų119.772%0.72466%0.657SS**Hα-helixtrans-71.4-34.5172.2-73.2178.6-177.600112.1S374 V375 E376S374-E378 WeakPolarHBondContact O-CG 3.48Å; S374-E378 PolarHBondContact O-N 3.3Å; S374-E378 VanDerWaalsContact O-N 3.12Å; V375-E378 PolarHBondContact O-N 3.13Å; E376-E378 VanDerWaalsContact C-N 3.28Å; E376-E378 PolarHBondContact O-N 3.08Å
379G59Low62.2Low67 Ų67126.5 Ų126.569%0.69168%0.681SS**Hα-helixtrans-76.2-24.7178.800000115.4V375 E376V375-G379 PolarHBondContact O-N 3.44Å; E376-G379 PolarHBondContact O-N 3.27Å; E376-G379 VanDerWaalsContact O-N 3.12Å
380V53.6Low59.6Low120 Ų120126.2 Ų126.273%0.72769%0.689SS**SBendtrans-86.7-7.2179.11790000112.3E376 S382E376-V380 VanDerWaalsContact O-CG2 3.29Å; E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.46Å; V380-S382 PolarHBondContact O-N 2.99Å
381V49.6Very low57.5Low111 Ų111127.3 Ų127.367%0.67370%0.696SS**SBendtrans-75.180170.8-176.40000110N377N377-V381 WeakPolarHBondContact O-CG2 2.99Å
382S38.6Very low55.2Low92 Ų92131.5 Ų131.564%0.64371%0.707SS**  trans64.8110.9146.6-50.80000118.7V380V380-S382 PolarHBondContact O-N 2.99Å
383P40.6Very low52.9Low121 Ų121133.2 Ų133.279%0.78672%0.722SS**  trans-59.5138.3153.7-8.422.6000108.9A385P383-A385 PolarHBondContact O-N 3Å
384P42.9Very low50.4Low125 Ų125129.9 Ų129.981%0.81272%0.724SS**  trans-68.8100.5-179.227.4-32.3000110.1R386P384-R386 PolarHBondContact O-N 3.28Å
385A35.8Very low48.4Very low102 Ų102140.3 Ų140.384%0.84376%0.762SS**  trans-66.583.1153.900000108.4P383P383-A385 PolarHBondContact O-N 3Å
386R36.7Very low46.5Very low236 Ų236142.9 Ų142.989%0.89177%0.773SS**  trans-133.565.1158.9-77.9-167.5-176.5-179.52.2109.7P384 Q388P384-R386 PolarHBondContact O-N 3.28Å; R386-Q388 PolarHBondContact O-N 3.39Å
387Q32Very low44.5Very low188 Ų188144.9 Ų144.988%0.87979%0.788SS**  trans-64.7113.7134.9-75.1179.7-8.600106.9
388Q33.7Very low42.5Very low168 Ų168146.4 Ų146.479%0.78580%0.797SS**  -176.893.7124.3-96171.418.200107.4R386 T390R386-Q388 PolarHBondContact O-N 3.39Å; Q388-T390 VanDerWaalsContact C-N 3.34Å; Q388-T390 PolarHBondContact O-N 3.04Å
389Q35.6Very low40.7Very low189 Ų189145.9 Ų145.988%0.88380%0.802SS**  trans-50.8100.7153.6-69.8163.5-29.300108.2
390T35.5Very low39.6Very low112 Ų112150.9 Ų150.969%0.68781%0.809SS**  trans-12070.2153.747.90000107.4Q388 K392Q388-T390 VanDerWaalsContact C-N 3.34Å; Q388-T390 PolarHBondContact O-N 3.04Å; T390-K392 PolarHBondContact O-N 3.43Å
391I41.9Very low38.6Very low155 Ų155152.9 Ų152.980%0.79581%0.814SS**  trans-72.681.2150.8-58.3169.6000104.6T393I391-T393 PolarHBondContact O-N 3.47Å
392K40.8Very low37.8Very low181 Ų181155.9 Ų155.979%0.78782%0.824SS**  trans-84.298.7158.3-85-171.7174.7-178.50106.1T390 S394T390-K392 PolarHBondContact O-N 3.43Å; K392-S394 PolarHBondContact O-N 3.04Å
393T38.9Very low37.8Very low137 Ų137160.8 Ų160.884%0.8484%0.838SS**  trans-20.5119.6151.529.40000113.1I391I391-T393 PolarHBondContact O-N 3.47Å
394S35Very low37.5Very low97 Ų97164.2 Ų164.268%0.67884%0.842SS**  trans-133.6119.6162.247.50000108K392K392-S394 PolarHBondContact O-N 3.04Å
395F41.7Very low37.1Very low280 Ų280167.7 Ų167.7100%1.22885%0.845SS**  trans82.90174.9-58.8-77.7000117.2

Retrieved 395 of 395 residues in 89.6 ms (Link to these results)

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