A0A087X8F5_POEFO Loading...

Cyclin-dependent kinase 20

AlphaFold DB , UniProt , Accession A0A087X8F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.8Confident87.8Confident76 Ų7675.9 Ų75.937%0.37440%0.395SS..  0-30.80-150.2177.7-122.200111.6Q3 Y4 F71 H73M1-Q3 PolarHBondContact O-N 3.39Å; M1-Y4 PolarHBondContact O-N 3.44Å; M1-Y4 VanDerWaalsContact O-O 3.09Å; M1-F71 HydrophobicContact CB-CE2 4.24Å; M1-F71 VanDerWaalsContact N-CE2 3.32Å; M1-H73 WeakPolarHBondContact CE-NE2 3.44Å; M1-H73 PolarHBondContact SD-CE1 3.05Å
2E83.1Confident86.7Confident186 Ų18681.3 Ų81.387%0.86942%0.417SS*.THydrogen-bonded Turntrans-58.5-27.1177.9-64174.8-178.800114.8Y4 I24E2-Y4 VanDerWaalsContact C-N 3.25Å; E2-Y4 PolarHBondContact O-N 3.26Å; E2-I24 WeakPolarHBondContact O-CD1 3.48Å
3Q90.7Very high85Confident96 Ų9678.2 Ų78.245%0.44942%0.418SS..THydrogen-bonded Turntrans-78-2.9175.7-68.4172.7-33.900114.3M1 H23 I24M1-Q3 PolarHBondContact O-N 3.39Å; Q3-H23 PolarHBondContact O-CD2 3Å; Q3-I24 WeakPolarHBondContact O-CG1 3.38Å; Q3-I24 PolarHBondContact O-N 3.32Å
4Y94.2Very high83.1Confident21 Ų2177.9 Ų77.98%0.08243%0.431CS..EExtended strand (participates in β ladder)trans-130.3130.3-171.7-59.8-88.7000111.4M1 E2 K22 H23 V30 L32 F71 V80M1-Y4 PolarHBondContact O-N 3.44Å; M1-Y4 VanDerWaalsContact O-O 3.09Å; E2-Y4 VanDerWaalsContact C-N 3.25Å; E2-Y4 PolarHBondContact O-N 3.26Å; Y4-K22 CarbonylContact C-O 3.6Å; Y4-K22 WeakPolarHBondContact CA-O 3.44Å; Y4-H23 HydrophobicContact CD1-CB 4.14Å; Y4-H23 HydrophobicContact CE1-CB 4.03Å; Y4-H23 AromaticContact CE1-CD2 3.58Å; Y4-H23 AromaticContact CZ-CD2 3.75Å; Y4-V30 HydrophobicContact CD1-CG2 3.67Å; Y4-V30 HydrophobicContact CE1-CG2 3.76Å; Y4-L32 HydrophobicContact CD1-CD1 4.44Å; Y4-L32 HydrophobicContact CD1-CD2 4.12Å; Y4-L32 HydrophobicContact CE1-CD2 4.19Å; Y4-L32 HydrophobicContact CG-CD1 4.14Å; Y4-L32 HydrophobicContact CG-CD2 4.37Å; Y4-F71 HydrophobicContact CD2-CE1 4.08Å; Y4-F71 HydrophobicContact CD2-CZ 4.17Å; Y4-F71 HydrophobicContact CE2-CD1 4.4Å; Y4-F71 AromaticContact CE2-CE1 3.59Å; Y4-F71 HydrophobicContact CE2-CE1 3.59Å; Y4-F71 HydrophobicContact CE2-CZ 4.15Å; Y4-V80 HydrophobicContact CE1-CG1 4.03Å
5S94.6Very high81.9Confident63 Ų6376 Ų7644%0.44142%0.418SS..EExtended strand (participates in β ladder)trans-93.3117.6169.8-178.10000109.9L7 A21 K22S5-L7 PolarHBondContact O-N 3.16Å; S5-A21 CarbonylContact O-C 3.55Å; S5-A21 WeakPolarHBondContact O-CA 3.46Å; S5-A21 WeakPolarHBondContact O-CB 3.41Å; S5-K22 PolarHBondContact N-O 3.07Å; S5-K22 PolarHBondContact O-N 2.94Å
6I95.1Very high81.4Confident70 Ų7072.6 Ų72.636%0.35941%0.406SS..EExtended strand (participates in β ladder)trans-75.4123.9-178.4-53.8-57.8000109.8F19 A21 L32I6-F19 HydrophobicContact CG2-CB 4.24Å; I6-F19 HydrophobicContact CG2-CD1 3.99Å; I6-F19 HydrophobicContact CG2-CG 4.41Å; I6-A21 HydrophobicContact CD1-CB 3.92Å; I6-L32 HydrophobicContact CD1-CD1 3.6Å
7L92.9Very high81.6Confident95 Ų9571.3 Ų71.350%0.49740%0.397SS..EExtended strand (participates in β ladder)trans-93.7-32.1179.5-59.6-178.5000112.2S5 Q20 K22S5-L7 PolarHBondContact O-N 3.16Å; L7-Q20 HydrophobicContact CB-CB 4.38Å; L7-Q20 HydrophobicContact CB-CG 4.24Å; L7-Q20 HydrophobicContact CD1-CG 4.12Å; L7-Q20 PolarHBondContact N-O 3.49Å; L7-K22 HydrophobicContact CD1-CB 4.33Å
8G91.4Very high82Confident28 Ų2869.2 Ų69.229%0.28939%0.386SS..EExtended strand (participates in β ladder)trans169.9168.5178.400000113.3F19 Q20G8-F19 CarbonylContact O-C 3.27Å; G8-F19 VanDerWaalsContact O-CA 3.3Å; G8-F19 WeakPolarHBondContact O-CA 3.5Å; G8-Q20 PolarHBondContact N-O 3.37Å; G8-Q20 PolarHBondContact O-N 2.97Å
9R90.5Very high82.6Confident130 Ų13068.1 Ų68.149%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-84.3129.8172.3-173-175.3-172.2-17912.2109.1E12 I17 F19R9-E12 IonicContact CZ-OE2 2.71Å; R9-E12 VanDerWaalsContact CZ-OE2 3.31Å; R9-E12 IonicContact NH1-OE2 2.88Å; R9-E12 PolarHBondContact NH1-OE2 2.99Å; R9-E12 IonicContact NH2-OE1 2.97Å; R9-E12 PolarHBondContact NH2-OE1 3.38Å; R9-E12 VanDerWaalsContact NH2-OE1 3.14Å; R9-E12 IonicContact NH2-OE2 3.46Å; R9-E12 PolarHBondContact NH2-OE2 3.3Å; R9-I17 HydrophobicContact CG-CG2 3.89Å; R9-F19 HydrophobicContact CB-CD1 4.21Å; R9-F19 HydrophobicContact CB-CE1 4.24Å; R9-F19 HydrophobicContact CG-CE1 4.4Å
10I84.9Confident83.2Confident43 Ų4367.3 Ų67.322%0.22137%0.37CS..EExtended strand (participates in β ladder)trans-122.2-5.1-175.561.8170.4000114.4V18 Q20 A31 F83I10-V18 HydrophobicContact CD1-CG1 3.89Å; I10-V18 HydrophobicContact CG1-CB 4.13Å; I10-V18 HydrophobicContact CG1-CG1 3.78Å; I10-V18 WeakPolarHBondContact CG1-O 3.38Å; I10-V18 PolarHBondContact N-O 3.39Å; I10-Q20 HydrophobicContact CD1-CB 4.16Å; I10-Q20 HydrophobicContact CG2-CB 3.64Å; I10-A31 HydrophobicContact CD1-CB 4.49Å; I10-F83 HydrophobicContact CD1-CD2 4.06Å; I10-F83 HydrophobicContact CD1-CE2 3.82Å
11G75.2Confident83.8Confident27 Ų2764 Ų6428%0.27835%0.353SS..EExtended strand (participates in β ladder)trans-171.4155.7176.500000113.5V18G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 2.96Å
12E74.5Confident84.9Confident141 Ų14165.1 Ų65.166%0.65936%0.355SS*.EExtended strand (participates in β ladder)trans-140.3130.5170.2178.4165.9-147.200108.1R9R9-E12 IonicContact CZ-OE2 2.71Å; R9-E12 VanDerWaalsContact CZ-OE2 3.31Å; R9-E12 IonicContact NH1-OE2 2.88Å; R9-E12 PolarHBondContact NH1-OE2 2.99Å; R9-E12 IonicContact NH2-OE1 2.97Å; R9-E12 PolarHBondContact NH2-OE1 3.38Å; R9-E12 VanDerWaalsContact NH2-OE1 3.14Å; R9-E12 IonicContact NH2-OE2 3.46Å; R9-E12 PolarHBondContact NH2-OE2 3.3Å
13G64.5Low85.5Confident41 Ų4157.5 Ų57.542%0.42332%0.32SS..EExtended strand (participates in β ladder)trans-146-179.7175.700000111.5H15 G16G13-H15 PolarHBondContact O-N 3.35Å; G13-G16 PolarHBondContact N-O 3.07Å; G13-G16 PolarHBondContact O-N 3.44Å
14A58.4Low85.7Confident73 Ų7357.9 Ų57.960%0.60332%0.324SS*.THydrogen-bonded Turntrans-56.2-18.2-179.400000114.3
15H65.2Low85.7Confident50 Ų5064.5 Ų64.523%0.23136%0.355CS..THydrogen-bonded Turntrans-105.64.6-177.3-58.7-58.7000114.1G13G13-H15 PolarHBondContact O-N 3.35Å
16G73.9Confident85.7Confident22 Ų2266 Ų6623%0.22736%0.361CS..EExtended strand (participates in β ladder)trans127.3-163.417400000114.6G13 K34G13-G16 PolarHBondContact N-O 3.07Å; G13-G16 PolarHBondContact O-N 3.44Å; G16-K34 WeakPolarHBondContact CA-O 3.48Å
17I84.1Confident85.6Confident50 Ų5064 Ų6426%0.25636%0.359SS..EExtended strand (participates in β ladder)trans-107.1137.1-172.8-55.3177.1000109.4R9 F19 K34R9-I17 HydrophobicContact CG-CG2 3.89Å; I17-F19 HydrophobicContact CB-CE2 4.02Å; I17-F19 HydrophobicContact CB-CZ 4.33Å; I17-F19 HydrophobicContact CG2-CD2 4.19Å; I17-F19 HydrophobicContact CG2-CE1 4.16Å; I17-F19 HydrophobicContact CG2-CE2 3.55Å; I17-F19 HydrophobicContact CG2-CZ 3.53Å; I17-K34 PolarHBondContact N-O 3.06Å; I17-K34 PolarHBondContact O-N 3.09Å
18V89.2Confident85.7Confident34 Ų3463.5 Ų63.521%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-110.6128.9177.3-168.70000110I10 G11 A31 L32 K33I10-V18 HydrophobicContact CD1-CG1 3.89Å; I10-V18 HydrophobicContact CG1-CB 4.13Å; I10-V18 HydrophobicContact CG1-CG1 3.78Å; I10-V18 WeakPolarHBondContact CG1-O 3.38Å; I10-V18 PolarHBondContact N-O 3.39Å; G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 2.96Å; V18-A31 HydrophobicContact CG1-CB 4.24Å; V18-L32 CarbonylContact C-O 3.59Å; V18-L32 WeakPolarHBondContact CA-O 3.37Å; V18-K33 HydrophobicContact CG2-CB 4.32Å; V18-K33 HydrophobicContact CG2-CD 4.4Å; V18-K33 HydrophobicContact CG2-CG 4.15Å
19F92.9Very high85.8Confident48 Ų4864.9 Ų64.921%0.21136%0.357CS..EExtended strand (participates in β ladder)trans-113142.2175.7-59.7-88.4000110.6I6 G8 R9 I17 A31 L32 K34I6-F19 HydrophobicContact CG2-CB 4.24Å; I6-F19 HydrophobicContact CG2-CD1 3.99Å; I6-F19 HydrophobicContact CG2-CG 4.41Å; G8-F19 CarbonylContact O-C 3.27Å; G8-F19 VanDerWaalsContact O-CA 3.3Å; G8-F19 WeakPolarHBondContact O-CA 3.5Å; R9-F19 HydrophobicContact CB-CD1 4.21Å; R9-F19 HydrophobicContact CB-CE1 4.24Å; R9-F19 HydrophobicContact CG-CE1 4.4Å; I17-F19 HydrophobicContact CB-CE2 4.02Å; I17-F19 HydrophobicContact CB-CZ 4.33Å; I17-F19 HydrophobicContact CG2-CD2 4.19Å; I17-F19 HydrophobicContact CG2-CE1 4.16Å; I17-F19 HydrophobicContact CG2-CE2 3.55Å; I17-F19 HydrophobicContact CG2-CZ 3.53Å; F19-A31 CarbonylContact O-C 3.52Å; F19-A31 WeakPolarHBondContact O-CA 3.17Å; F19-L32 HydrophobicContact CB-CB 4.36Å; F19-L32 PolarHBondContact N-O 2.8Å; F19-L32 PolarHBondContact O-N 3.4Å; F19-K34 HydrophobicContact CE2-CB 4.43Å
20Q94.5Very high86.1Confident51 Ų5158.8 Ų58.824%0.23833%0.334CS..EExtended strand (participates in β ladder)trans-81.4133.7160.8-172.9-178.29.200108.1L7 G8 I10 T29 F83L7-Q20 HydrophobicContact CB-CB 4.38Å; L7-Q20 HydrophobicContact CB-CG 4.24Å; L7-Q20 HydrophobicContact CD1-CG 4.12Å; L7-Q20 PolarHBondContact N-O 3.49Å; G8-Q20 PolarHBondContact N-O 3.37Å; G8-Q20 PolarHBondContact O-N 2.97Å; I10-Q20 HydrophobicContact CD1-CB 4.16Å; I10-Q20 HydrophobicContact CG2-CB 3.64Å; Q20-T29 HydrophobicContact CG-CG2 3.94Å; Q20-F83 HydrophobicContact CB-CD2 4.43Å; Q20-F83 HydrophobicContact CB-CE2 4.25Å; Q20-F83 HydrophobicContact CG-CD2 3.86Å; Q20-F83 HydrophobicContact CG-CE2 3.79Å
21A96Very high86.6Confident0 Ų057.3 Ų57.30%033%0.328CS..EExtended strand (participates in β ladder)trans-141.6165177.600000111.1S5 I6 T29 V30 L32S5-A21 CarbonylContact O-C 3.55Å; S5-A21 WeakPolarHBondContact O-CA 3.46Å; S5-A21 WeakPolarHBondContact O-CB 3.41Å; I6-A21 HydrophobicContact CD1-CB 3.92Å; A21-T29 CarbonylContact O-C 3.53Å; A21-T29 WeakPolarHBondContact O-CA 3.46Å; A21-V30 HydrophobicContact CB-CG2 4.04Å; A21-V30 PolarHBondContact N-O 3.2Å; A21-V30 PolarHBondContact O-N 2.99Å; A21-L32 HydrophobicContact CB-CD1 3.52Å; A21-L32 HydrophobicContact CB-CG 3.85Å
22K96.5Very high87.5Confident99 Ų9956.1 Ų56.143%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-114.4124.6171.8-164.9175.6-173.9-179.90108.9Y4 S5 L7 I24 G27 E28Y4-K22 CarbonylContact C-O 3.6Å; Y4-K22 WeakPolarHBondContact CA-O 3.44Å; S5-K22 PolarHBondContact N-O 3.07Å; S5-K22 PolarHBondContact O-N 2.94Å; L7-K22 HydrophobicContact CD1-CB 4.33Å; K22-I24 PolarHBondContact O-N 3.43Å; K22-G27 WeakPolarHBondContact CE-O 3.06Å; K22-G27 WeakPolarHBondContact CG-O 3.23Å; K22-E28 CarbonylContact C-O 3.6Å; K22-E28 WeakPolarHBondContact CA-O 3.38Å
23H95.5Very high88.2Confident26 Ų2649.9 Ų49.912%0.1229%0.286CS..EExtended strand (participates in β ladder)trans-66.9127.5170.5-175.6-103.8000108.8Q3 Y4 T26 G27 E28Q3-H23 PolarHBondContact O-CD2 3Å; Y4-H23 HydrophobicContact CD1-CB 4.14Å; Y4-H23 HydrophobicContact CE1-CB 4.03Å; Y4-H23 AromaticContact CE1-CD2 3.58Å; Y4-H23 AromaticContact CZ-CD2 3.75Å; H23-T26 WeakPolarHBondContact CB-OG1 3.22Å; H23-T26 WeakPolarHBondContact ND1-CG2 3.46Å; H23-T26 PolarHBondContact ND1-N 2.92Å; H23-T26 PolarHBondContact ND1-OG1 3.39Å; H23-G27 WeakPolarHBondContact O-CA 3.29Å; H23-G27 PolarHBondContact O-N 2.88Å; H23-E28 PolarHBondContact N-O 3.08Å
24I94.8Very high89.3Confident104 Ų10451.1 Ų51.153%0.53328%0.28SS..THydrogen-bonded Turntrans-68.3-43.7-165.2-68173.8000111.6E2 Q3 K22E2-I24 WeakPolarHBondContact O-CD1 3.48Å; Q3-I24 WeakPolarHBondContact O-CG1 3.38Å; Q3-I24 PolarHBondContact O-N 3.32Å; K22-I24 PolarHBondContact O-N 3.43Å
25E94.3Very high90.4Very high160 Ų16048 Ų4875%0.74825%0.253SS*.THydrogen-bonded Turntrans-76-45.1-175.4-60.9-179.5168.100112.5
26T94.9Very high91Very high93 Ų9349 Ų4957%0.57127%0.27SS*.THydrogen-bonded Turntrans-86.3-17.7-175.661.40000112.5H23 E28H23-T26 WeakPolarHBondContact CB-OG1 3.22Å; H23-T26 WeakPolarHBondContact ND1-CG2 3.46Å; H23-T26 PolarHBondContact ND1-N 2.92Å; H23-T26 PolarHBondContact ND1-OG1 3.39Å; T26-E28 PolarHBondContact O-N 3.43Å; T26-E28 WeakPolarHBondContact OG1-CB 3.33Å; T26-E28 PolarHBondContact OG1-N 3.29Å
27G93.6Very high91Very high30 Ų3049.1 Ų49.131%0.30927%0.266SS..  trans68.18.7-171.600000114.1K22 H23K22-G27 WeakPolarHBondContact CE-O 3.06Å; K22-G27 WeakPolarHBondContact CG-O 3.23Å; H23-G27 WeakPolarHBondContact O-CA 3.29Å; H23-G27 PolarHBondContact O-N 2.88Å
28E94.4Very high90.2Very high84 Ų8457.3 Ų57.339%0.39329%0.293SS..  trans-73.1137.5-176.7-175.4176.1-143.800112K22 H23 T26 V30 K68K22-E28 CarbonylContact C-O 3.6Å; K22-E28 WeakPolarHBondContact CA-O 3.38Å; H23-E28 PolarHBondContact N-O 3.08Å; T26-E28 PolarHBondContact O-N 3.43Å; T26-E28 WeakPolarHBondContact OG1-CB 3.33Å; T26-E28 PolarHBondContact OG1-N 3.29Å; E28-V30 HydrophobicContact CG-CG1 4.36Å; E28-K68 IonicContact OE1-NZ 2.62Å; E28-K68 PolarHBondContact OE1-NZ 2.89Å; E28-K68 IonicContact OE2-NZ 2.8Å; E28-K68 PolarHBondContact OE2-NZ 3.25Å
29T94.9Very high89.1Confident56 Ų5663.2 Ų63.234%0.34432%0.316SS..EExtended strand (participates in β ladder)trans-81.8126.5173.3-54.40000110.4Q20 A21 F83Q20-T29 HydrophobicContact CG-CG2 3.94Å; A21-T29 CarbonylContact O-C 3.53Å; A21-T29 WeakPolarHBondContact O-CA 3.46Å; T29-F83 HydrophobicContact CG2-CB 3.8Å; T29-F83 HydrophobicContact CG2-CD1 4.05Å; T29-F83 HydrophobicContact CG2-CD2 4.34Å; T29-F83 HydrophobicContact CG2-CG 3.79Å
30V95.6Very high87.3Confident2 Ų266.1 Ų66.11%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-128.4161.4-176.9-60.80000111.8Y4 A21 E28 L32 V80 F81Y4-V30 HydrophobicContact CD1-CG2 3.67Å; Y4-V30 HydrophobicContact CE1-CG2 3.76Å; A21-V30 HydrophobicContact CB-CG2 4.04Å; A21-V30 PolarHBondContact N-O 3.2Å; A21-V30 PolarHBondContact O-N 2.99Å; E28-V30 HydrophobicContact CG-CG1 4.36Å; V30-L32 HydrophobicContact CG2-CD2 4Å; V30-L32 HydrophobicContact CG2-CG 4.28Å; V30-V80 HydrophobicContact CB-CG1 4.14Å; V30-V80 HydrophobicContact CG1-CG1 4.27Å; V30-V80 HydrophobicContact CG2-CG1 4.34Å; V30-F81 WeakPolarHBondContact CA-O 3.26Å; V30-F81 WeakPolarHBondContact CB-O 3.43Å
31A94.9Very high85.6Confident12 Ų1272.8 Ų72.810%0.09936%0.364CS..EExtended strand (participates in β ladder)trans-103.8125.3167.200000110.1I10 V18 F19 F81I10-A31 HydrophobicContact CD1-CB 4.49Å; V18-A31 HydrophobicContact CG1-CB 4.24Å; F19-A31 CarbonylContact O-C 3.52Å; F19-A31 WeakPolarHBondContact O-CA 3.17Å; A31-F81 HydrophobicContact CB-CB 4.41Å; A31-F81 PolarHBondContact N-O 3.12Å; A31-F81 PolarHBondContact O-N 3.12Å
32L93.8Very high83.9Confident2 Ų279.3 Ų79.31%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-106.2109.9177.6-60.2-176.7000109.6Y4 I6 V18 F19 A21 V30 V78 L79 V80Y4-L32 HydrophobicContact CD1-CD1 4.44Å; Y4-L32 HydrophobicContact CD1-CD2 4.12Å; Y4-L32 HydrophobicContact CE1-CD2 4.19Å; Y4-L32 HydrophobicContact CG-CD1 4.14Å; Y4-L32 HydrophobicContact CG-CD2 4.37Å; I6-L32 HydrophobicContact CD1-CD1 3.6Å; V18-L32 CarbonylContact C-O 3.59Å; V18-L32 WeakPolarHBondContact CA-O 3.37Å; F19-L32 HydrophobicContact CB-CB 4.36Å; F19-L32 PolarHBondContact N-O 2.8Å; F19-L32 PolarHBondContact O-N 3.4Å; A21-L32 HydrophobicContact CB-CD1 3.52Å; A21-L32 HydrophobicContact CB-CG 3.85Å; V30-L32 HydrophobicContact CG2-CD2 4Å; V30-L32 HydrophobicContact CG2-CG 4.28Å; L32-V78 HydrophobicContact CB-CG1 3.82Å; L32-V78 HydrophobicContact CD2-CG1 4Å; L32-V78 HydrophobicContact CG-CG1 4.36Å; L32-L79 WeakPolarHBondContact CA-O 3.46Å; L32-V80 HydrophobicContact CD2-CB 4.24Å; L32-V80 HydrophobicContact CD2-CG1 3.99Å; L32-V80 HydrophobicContact CD2-CG2 3.77Å
33K90.8Very high82.6Confident10 Ų1076.3 Ų76.34%0.04340%0.397CS..EExtended strand (participates in β ladder)trans-97.3108.9176.8-177.7167.4179.7169.60109.9V18 V35 V78 L79 F81 D145 L148V18-K33 HydrophobicContact CG2-CB 4.32Å; V18-K33 HydrophobicContact CG2-CD 4.4Å; V18-K33 HydrophobicContact CG2-CG 4.15Å; K33-V35 HydrophobicContact CG-CG2 4.34Å; K33-V78 WeakPolarHBondContact O-CA 3.28Å; K33-L79 HydrophobicContact CB-CB 4.4Å; K33-L79 PolarHBondContact N-O 3.36Å; K33-L79 PolarHBondContact O-N 3.42Å; K33-F81 HydrophobicContact CB-CD2 4.39Å; K33-F81 HydrophobicContact CB-CE2 4.1Å; K33-F81 HydrophobicContact CD-CE2 4.45Å; K33-D145 IonicContact NZ-OD1 2.75Å; K33-D145 PolarHBondContact NZ-OD1 3.32Å; K33-D145 IonicContact NZ-OD2 3.14Å; K33-D145 PolarHBondContact NZ-OD2 3.45Å; K33-L148 HydrophobicContact CD-CD1 4.15Å
34K87.6Confident81.6Confident67 Ų6776.7 Ų76.729%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-84.7122.1177.3-174.9171.8179.61700110G16 I17 F19 V78G16-K34 WeakPolarHBondContact CA-O 3.48Å; I17-K34 PolarHBondContact N-O 3.06Å; I17-K34 PolarHBondContact O-N 3.09Å; F19-K34 HydrophobicContact CE2-CB 4.43Å; K34-V78 HydrophobicContact CB-CG2 4.31Å; K34-V78 HydrophobicContact CG-CG2 4.36Å
35V81.9Confident80.8Confident8 Ų875.1 Ų75.15%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-114.1122.5179.2-173.70000109K33 G76 F77 L79 F152K33-V35 HydrophobicContact CG-CG2 4.34Å; V35-G76 WeakPolarHBondContact O-CA 3.43Å; V35-F77 HydrophobicContact CB-CD2 4.3Å; V35-F77 HydrophobicContact CB-CE1 4.21Å; V35-F77 HydrophobicContact CB-CE2 3.91Å; V35-F77 HydrophobicContact CB-CZ 3.9Å; V35-F77 HydrophobicContact CG1-CE1 4.21Å; V35-F77 HydrophobicContact CG1-CE2 4.48Å; V35-F77 HydrophobicContact CG1-CZ 4Å; V35-F77 HydrophobicContact CG2-CE2 3.98Å; V35-F77 HydrophobicContact CG2-CZ 4.29Å; V35-F77 PolarHBondContact N-O 3.31Å; V35-F77 PolarHBondContact O-N 3.04Å; V35-L79 HydrophobicContact CG2-CD1 4.19Å; V35-F152 HydrophobicContact CG1-CD2 4.43Å; V35-F152 HydrophobicContact CG1-CE1 4.16Å; V35-F152 HydrophobicContact CG1-CE2 3.61Å; V35-F152 HydrophobicContact CG1-CZ 3.43Å; V35-F152 VanDerWaalsContact CG1-CZ 3.43Å
36A77.4Confident80.1Confident70 Ų7073.9 Ų73.958%0.57939%0.394SS*.EExtended strand (participates in β ladder)trans-84.5142.1178.300000111.2
37L73.6Confident79.2Confident26 Ų2675 Ų7514%0.13639%0.393CS..  trans-90.2140.4171-63.6169.4000110.1I44 T75 F77 F152L37-I44 HydrophobicContact CD1-CG1 4.02Å; L37-T75 WeakPolarHBondContact CB-O 3.47Å; L37-T75 PolarHBondContact N-O 3.45Å; L37-T75 VanDerWaalsContact N-O 3.14Å; L37-F77 HydrophobicContact CD2-CD1 4.34Å; L37-F77 HydrophobicContact CD2-CE1 4.14Å; L37-F152 HydrophobicContact CD2-CE1 4.39Å
38R67.3Low78.5Confident221 Ų22173.8 Ų73.883%0.83438%0.38SS*.SBendtrans-74.5-30177.9-67.8-176.8-179.3172.9-1.9113
39K64.9Low77.9Confident159 Ų15971.4 Ų71.469%0.69137%0.371SS*.  trans-123.6115.3177.9-66.1-174-179.2-176.50108.7
40L55.6Low77.3Confident109 Ų10976.9 Ų76.957%0.57139%0.385SS*.SBendtrans-78.5-26.3-172.5-90.6158.5000113.7D42 T75L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.38Å; L40-T75 HydrophobicContact CD1-CG2 3.98Å; L40-T75 VanDerWaalsContact CD2-CA 3.46Å; L40-T75 HydrophobicContact CD2-CG2 3.49Å; L40-T75 VanDerWaalsContact CD2-CG2 3.49Å; L40-T75 HydrophobicContact CG-CG2 4.29Å
41E59.5Low76.6Confident190 Ų19078.2 Ų78.289%0.88839%0.392SS*.THydrogen-bonded Turntrans-74.9-21.3-164.4-58.4179.3-157.900113.2
42D60.3Low76.1Confident137 Ų13777.7 Ų77.773%0.73339%0.387SS*.THydrogen-bonded Turntrans-105.50.2-174.5-62-39.3000114.2L40L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.38Å
43G68.9Low75.7Confident37 Ų3782.7 Ų82.738%0.38141%0.409SS..  trans64.3-159.4-170.400000113P45G43-P45 WeakPolarHBondContact O-CD 3.5Å
44I75.5Confident75.3Confident33 Ų3384.8 Ų84.817%0.16943%0.428CS..SBendtrans-73125.3178-52.5170.4000108.5L37 N46 A48 V49 F77L37-I44 HydrophobicContact CD1-CG1 4.02Å; I44-N46 PolarHBondContact O-N 3.11Å; I44-A48 HydrophobicContact CG2-CB 3.98Å; I44-V49 HydrophobicContact CB-CG2 4.07Å; I44-V49 HydrophobicContact CG2-CG2 3.7Å; I44-F77 HydrophobicContact CD1-CB 3.7Å; I44-F77 HydrophobicContact CD1-CD1 3.91Å; I44-F77 HydrophobicContact CD1-CG 4.05Å; I44-F77 HydrophobicContact CG1-CB 4.45Å; I44-F77 HydrophobicContact CG1-CD1 3.97Å; I44-F77 HydrophobicContact CG2-CD1 4.28Å; I44-F77 HydrophobicContact CG2-CE1 4.28Å
45P76.9Confident75.1Confident71 Ų7182.6 Ų82.646%0.46142%0.419SS..  trans-55.8136.4178.3-26.334.3000112.1G43 Q47 A48 V49G43-P45 WeakPolarHBondContact O-CD 3.5Å; P45-Q47 PolarHBondContact O-N 3.24Å; P45-Q47 VanDerWaalsContact O-N 3.09Å; P45-A48 HydrophobicContact CB-CB 4.27Å; P45-A48 WeakPolarHBondContact O-CA 3.46Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 3.2Å; P45-V49 PolarHBondContact O-N 2.86Å
46N79.1Confident75.4Confident134 Ų13485.4 Ų85.472%0.71743%0.432SS*.Hα-helixtrans-56-31.2179.2-75.4-28.2000113.3I44 R50I44-N46 PolarHBondContact O-N 3.11Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 3.36Å; N46-R50 VanDerWaalsContact O-N 3.08Å
47Q77.6Confident75.8Confident118 Ų11889.8 Ų89.855%0.55144%0.44SS*.Hα-helixtrans-64.3-42.5172.3-178.3176-8.900111.7P45 R50 E51P45-Q47 PolarHBondContact O-N 3.24Å; P45-Q47 VanDerWaalsContact O-N 3.09Å; Q47-R50 PolarHBondContact O-N 3.33Å; Q47-E51 PolarHBondContact O-N 3.29Å
48A77.8Confident76.4Confident4 Ų489.8 Ų89.83%0.03344%0.44CS..Hα-helixtrans-65.2-42.3178.700000111.6I44 P45 R50 E51 I52 L151I44-A48 HydrophobicContact CG2-CB 3.98Å; P45-A48 HydrophobicContact CB-CB 4.27Å; P45-A48 WeakPolarHBondContact O-CA 3.46Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 3.2Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.87Å; A48-E51 PolarHBondContact O-N 3.34Å; A48-I52 WeakPolarHBondContact O-CB 3.18Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 2.62Å; A48-L151 HydrophobicContact CB-CD2 3.77Å; A48-L151 VanDerWaalsContact O-CD2 3.29Å; A48-L151 WeakPolarHBondContact O-CD2 2.95Å
49V82.4Confident77.4Confident33 Ų3386.4 Ų86.420%0.243%0.434CS..Hα-helixtrans-59.8-43.8174178.40000111.6I44 P45 I52 K53 F70I44-V49 HydrophobicContact CB-CG2 4.07Å; I44-V49 HydrophobicContact CG2-CG2 3.7Å; P45-V49 PolarHBondContact O-N 2.86Å; V49-I52 PolarHBondContact O-N 2.63Å; V49-K53 HydrophobicContact CG1-CD 4.31Å; V49-K53 HydrophobicContact CG1-CG 4.48Å; V49-K53 WeakPolarHBondContact O-CB 3.36Å; V49-K53 WeakPolarHBondContact O-CG 3.32Å; V49-K53 PolarHBondContact O-N 3.32Å; V49-F70 HydrophobicContact CG1-CZ 4.26Å
50R81.1Confident78.7Confident171 Ų17183.8 Ų83.865%0.64543%0.428SS*.Hα-helixtrans-61.6-44.6177.3-77.1-175.1-67.4166.8-0.4112.4N46 Q47 A48 K53 A54N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 3.36Å; N46-R50 VanDerWaalsContact O-N 3.08Å; Q47-R50 PolarHBondContact O-N 3.33Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.87Å; R50-K53 PolarHBondContact O-N 2.9Å; R50-A54 WeakPolarHBondContact O-CB 3.43Å; R50-A54 PolarHBondContact O-N 3.25Å
51E81.3Confident80.5Confident31 Ų3180.3 Ų80.315%0.14541%0.409CS..Hα-helixtrans-67.8-38.5178.2-80.1-171.8-179.700111.8Q47 A48 A54 L55 R150 L151Q47-E51 PolarHBondContact O-N 3.29Å; A48-E51 PolarHBondContact O-N 3.34Å; E51-A54 PolarHBondContact O-N 2.9Å; E51-L55 WeakPolarHBondContact O-CG 3.41Å; E51-L55 PolarHBondContact O-N 3.04Å; E51-R150 IonicContact OE1-CZ 3.78Å; E51-R150 IonicContact OE1-NE 3.38Å; E51-R150 PolarHBondContact OE1-NE 3.02Å; E51-R150 IonicContact OE1-NH2 3.23Å; E51-R150 PolarHBondContact OE1-NH2 3.48Å; E51-L151 HydrophobicContact CB-CD2 3.28Å; E51-L151 HydrophobicContact CB-CG 4.2Å; E51-L151 HydrophobicContact CG-CD2 4.23Å; E51-L151 WeakPolarHBondContact OE2-CA 3.48Å; E51-L151 VanDerWaalsContact OE2-CD2 3.31Å; E51-L151 WeakPolarHBondContact OE2-CD2 3.44Å; E51-L151 PolarHBondContact OE2-N 2.8Å
52I84.6Confident82.3Confident0 Ų076.6 Ų76.60%039%0.392CS..Hα-helixtrans-62.5-45.1173.3-68.9166.6000111.1A48 V49 A54 L55 Q56 L67 F70 F77 L79 L151A48-I52 WeakPolarHBondContact O-CB 3.18Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 2.62Å; V49-I52 PolarHBondContact O-N 2.63Å; I52-A54 VanDerWaalsContact C-N 3.35Å; I52-A54 PolarHBondContact O-N 2.85Å; I52-L55 WeakPolarHBondContact O-CB 3.31Å; I52-L55 PolarHBondContact O-N 2.87Å; I52-L55 VanDerWaalsContact O-N 3.16Å; I52-Q56 PolarHBondContact O-N 3.45Å; I52-L67 HydrophobicContact CG2-CD2 3.68Å; I52-F70 HydrophobicContact CD1-CD2 4.47Å; I52-F70 HydrophobicContact CG2-CB 4.07Å; I52-F70 HydrophobicContact CG2-CD1 3.53Å; I52-F70 HydrophobicContact CG2-CD2 4Å; I52-F70 HydrophobicContact CG2-CE1 3.91Å; I52-F70 HydrophobicContact CG2-CE2 4.35Å; I52-F70 HydrophobicContact CG2-CG 3.58Å; I52-F70 HydrophobicContact CG2-CZ 4.31Å; I52-F77 HydrophobicContact CD1-CD2 4.29Å; I52-F77 HydrophobicContact CD1-CE1 4.41Å; I52-F77 HydrophobicContact CD1-CE2 3.67Å; I52-F77 HydrophobicContact CD1-CZ 3.7Å; I52-L79 HydrophobicContact CD1-CD2 4.34Å; I52-L79 HydrophobicContact CG1-CD2 4.44Å; I52-L79 HydrophobicContact CG2-CD2 4.13Å; I52-L151 HydrophobicContact CD1-CD1 4.3Å; I52-L151 HydrophobicContact CG1-CD1 3.69Å; I52-L151 HydrophobicContact CG1-CD2 4.22Å
53K85.4Confident84Confident108 Ų10870.6 Ų70.647%0.4736%0.359SS..Hα-helixtrans-62.3-42.3176.3-75.2-175.3176.3-169.90112V49 R50 L55 Q56 E57 F70V49-K53 HydrophobicContact CG1-CD 4.31Å; V49-K53 HydrophobicContact CG1-CG 4.48Å; V49-K53 WeakPolarHBondContact O-CB 3.36Å; V49-K53 WeakPolarHBondContact O-CG 3.32Å; V49-K53 PolarHBondContact O-N 3.32Å; R50-K53 PolarHBondContact O-N 2.9Å; K53-L55 VanDerWaalsContact C-N 3.28Å; K53-L55 PolarHBondContact O-N 2.82Å; K53-Q56 WeakPolarHBondContact O-CB 3.33Å; K53-Q56 PolarHBondContact O-N 2.86Å; K53-Q56 VanDerWaalsContact O-N 3.07Å; K53-E57 WeakPolarHBondContact O-CG 3.39Å; K53-E57 PolarHBondContact O-N 3.47Å; K53-F70 HydrophobicContact CG-CE1 4.38Å
54A83.3Confident85.3Confident53 Ų5369 Ų6944%0.43834%0.342SS..Hα-helixtrans-59.4-41.1173.800000111.4R50 E51 I52 Q56 E57 I58R50-A54 WeakPolarHBondContact O-CB 3.43Å; R50-A54 PolarHBondContact O-N 3.25Å; E51-A54 PolarHBondContact O-N 2.9Å; I52-A54 VanDerWaalsContact C-N 3.35Å; I52-A54 PolarHBondContact O-N 2.85Å; A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 3.49Å; A54-E57 PolarHBondContact O-N 3.23Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.38Å
55L82.8Confident86.1Confident22 Ų2267.7 Ų67.712%0.11534%0.336CS..Hα-helixtrans-64.7-32.7174.7-68.9171.1000113E51 I52 K53 I58 L67 F146 L148E51-L55 WeakPolarHBondContact O-CG 3.41Å; E51-L55 PolarHBondContact O-N 3.04Å; I52-L55 WeakPolarHBondContact O-CB 3.31Å; I52-L55 PolarHBondContact O-N 2.87Å; I52-L55 VanDerWaalsContact O-N 3.16Å; K53-L55 VanDerWaalsContact C-N 3.28Å; K53-L55 PolarHBondContact O-N 2.82Å; L55-I58 HydrophobicContact CD2-CD1 3.83Å; L55-L67 HydrophobicContact CB-CD2 4.35Å; L55-F146 HydrophobicContact CD2-CD2 3.83Å; L55-F146 HydrophobicContact CD2-CE2 3.63Å; L55-L148 HydrophobicContact CD1-CD2 4.23Å
56Q87.3Confident86.8Confident67 Ų6768 Ų6831%0.31333%0.33SS..Hα-helixtrans-73-30177.2-163.6174.89.200112.5I52 K53 A54 L67 K68I52-Q56 PolarHBondContact O-N 3.45Å; K53-Q56 WeakPolarHBondContact O-CB 3.33Å; K53-Q56 PolarHBondContact O-N 2.86Å; K53-Q56 VanDerWaalsContact O-N 3.07Å; A54-Q56 VanDerWaalsContact C-N 3.3Å; A54-Q56 PolarHBondContact O-N 3.49Å; Q56-L67 HydrophobicContact CB-CD2 4.13Å; Q56-K68 PolarHBondContact NE2-O 2.83Å
57E87.3Confident87.4Confident162 Ų16262 Ų6276%0.75730%0.298SS*.Hα-helixtrans-82-11.4179.6-73.2176.2178.900113.9K53 A54 E59K53-E57 WeakPolarHBondContact O-CG 3.39Å; K53-E57 PolarHBondContact O-N 3.47Å; A54-E57 PolarHBondContact O-N 3.23Å; E57-E59 PolarHBondContact O-N 3.33Å
58I86.2Confident88.1Confident25 Ų2559.6 Ų59.613%0.12829%0.286CS..SBendtrans-59136.1175.7-68.8165.4000110A54 L55 F117 I123 F146A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.38Å; L55-I58 HydrophobicContact CD2-CD1 3.83Å; I58-F117 HydrophobicContact CG2-CE1 3.46Å; I58-F117 VanDerWaalsContact CG2-CE1 3.46Å; I58-F117 HydrophobicContact CG2-CZ 3.51Å; I58-I123 HydrophobicContact CD1-CD1 3.21Å; I58-I123 HydrophobicContact CG1-CD1 4.14Å; I58-F146 HydrophobicContact CD1-CE2 3.98Å
59E88.3Confident88.8Confident150 Ų15062 Ų6270%0.70130%0.298SS*.PPolyproline II helixtrans-55.1143.9176.7-67.6-176.4179.600111.3E57 N61 F117E57-E59 PolarHBondContact O-N 3.33Å; E59-N61 PolarHBondContact O-N 2.92Å; E59-F117 HydrophobicContact CB-CE2 4.46Å; E59-F117 HydrophobicContact CB-CZ 4.3Å; E59-F117 VanDerWaalsContact O-CZ 3.28Å; E59-F117 WeakPolarHBondContact O-CZ 3.35Å
60D91Very high89.2Confident105 Ų10562.2 Ų62.256%0.56130%0.296SS*.PPolyproline II helixtrans-65133.4177.6-168.922.8000110.4K66D60-K66 HydrophobicContact CB-CD 4Å
61N94.6Very high89.5Confident35 Ų3555.3 Ų55.319%0.18727%0.271CS..  trans-133.3136.7-177.9-174.1-81.4000110.7E59 H63 V64 F117 K142E59-N61 PolarHBondContact O-N 2.92Å; N61-H63 PolarHBondContact O-N 3.02Å; N61-H63 VanDerWaalsContact O-N 3.12Å; N61-H63 WeakPolarHBondContact OD1-CA 3.4Å; N61-H63 PolarHBondContact OD1-N 3.28Å; N61-V64 HydrophobicContact CB-CB 4.18Å; N61-V64 HydrophobicContact CB-CG2 4.49Å; N61-V64 PolarHBondContact O-N 2.85Å; N61-V64 PolarHBondContact OD1-N 2.85Å; N61-F117 HydrophobicContact CB-CD1 3.84Å; N61-F117 HydrophobicContact CB-CD2 4.12Å; N61-F117 HydrophobicContact CB-CE1 3.7Å; N61-F117 HydrophobicContact CB-CE2 4Å; N61-F117 HydrophobicContact CB-CG 4.03Å; N61-F117 HydrophobicContact CB-CZ 3.78Å; N61-F117 WeakPolarHBondContact ND2-CD2 3.47Å; N61-F117 VanDerWaalsContact ND2-CG 3.34Å; N61-F117 WeakPolarHBondContact ND2-CG 3.31Å; N61-K142 PolarHBondContact O-NZ 2.81Å
62Q96.1Very high89.7Confident112 Ų11258.6 Ų58.652%0.52330%0.295SS..THydrogen-bonded Turntrans-62.1-23.7-177.4-168.1172.114.100113.4H140 K142Q62-H140 PolarHBondContact NE2-CD2 2.94Å; Q62-H140 PolarHBondContact NE2-NE2 3.19Å; Q62-K142 VanDerWaalsContact O-CE 3.27Å; Q62-K142 WeakPolarHBondContact O-CE 3.23Å; Q62-K142 VanDerWaalsContact O-CG 3.23Å; Q62-K142 WeakPolarHBondContact O-CG 3.38Å
63H97.4Very high89.8Confident11 Ų1161 Ų615%0.05131%0.306CS..THydrogen-bonded Turntrans-117.312.3-173.9-58.1-55.3000114N61 M110 K113 L141 K142 V143N61-H63 PolarHBondContact O-N 3.02Å; N61-H63 VanDerWaalsContact O-N 3.12Å; N61-H63 WeakPolarHBondContact OD1-CA 3.4Å; N61-H63 PolarHBondContact OD1-N 3.28Å; H63-M110 VanDerWaalsContact CE1-CG 3.44Å; H63-M110 WeakPolarHBondContact CE1-CG 3.36Å; H63-K113 HydrophobicContact CB-CB 4.47Å; H63-K113 VanDerWaalsContact CD2-CB 3.42Å; H63-K113 WeakPolarHBondContact CD2-CB 3.46Å; H63-K113 WeakPolarHBondContact NE2-CD 3.23Å; H63-L141 WeakPolarHBondContact CA-O 3.44Å; H63-L141 PolarHBondContact ND1-O 3.02Å; H63-K142 CarbonylContact O-C 3.43Å; H63-K142 WeakPolarHBondContact O-CA 3.35Å; H63-V143 PolarHBondContact O-N 3.05Å
64V95.5Very high89.6Confident4 Ų459.2 Ų59.22%0.02432%0.318CS..BIsolated β-bridgetrans-131.1142173179.80000108.8N61 F117 L118 K142 V143 F146N61-V64 HydrophobicContact CB-CB 4.18Å; N61-V64 HydrophobicContact CB-CG2 4.49Å; N61-V64 PolarHBondContact O-N 2.85Å; N61-V64 PolarHBondContact OD1-N 2.85Å; V64-F117 HydrophobicContact CB-CD1 4.25Å; V64-F117 HydrophobicContact CB-CE1 4.47Å; V64-F117 HydrophobicContact CG2-CD1 3.71Å; V64-F117 HydrophobicContact CG2-CE1 4.41Å; V64-L118 HydrophobicContact CG1-CD2 3.95Å; V64-L118 HydrophobicContact CG2-CD2 4.25Å; V64-L118 HydrophobicContact CG2-CG 4.14Å; V64-K142 PolarHBondContact O-NZ 3.41Å; V64-K142 VanDerWaalsContact O-NZ 3.12Å; V64-V143 HydrophobicContact CG2-CB 4.46Å; V64-F146 HydrophobicContact CG1-CD1 3.82Å; V64-F146 HydrophobicContact CG1-CE1 3.14Å; V64-F146 HydrophobicContact CG1-CE2 4.03Å; V64-F146 HydrophobicContact CG1-CZ 3.26Å
65V93.4Very high89.3Confident6 Ų660.1 Ų60.14%0.03632%0.319CS..  trans-72.1134.8177.1176.30000109.9F81 M84 L134 K142 V143 A144 F146V65-F81 HydrophobicContact CG1-CB 4.03Å; V65-F81 HydrophobicContact CG1-CD1 3.51Å; V65-F81 HydrophobicContact CG1-CE1 4.27Å; V65-F81 HydrophobicContact CG1-CG 4.06Å; V65-M84 HydrophobicContact CG2-CE 4.21Å; V65-L134 HydrophobicContact CG2-CD1 4.27Å; V65-K142 HydrophobicContact CG2-CB 3.79Å; V65-V143 PolarHBondContact N-O 3.23Å; V65-A144 HydrophobicContact CB-CB 4.33Å; V65-A144 HydrophobicContact CG2-CB 3.64Å; V65-F146 VanDerWaalsContact O-CE1 3.26Å; V65-F146 WeakPolarHBondContact O-CE1 3.37Å; V65-F146 VanDerWaalsContact O-CZ 3.28Å; V65-F146 WeakPolarHBondContact O-CZ 3.23Å
66K91.1Very high89.3Confident78 Ų7859.2 Ų59.234%0.33932%0.315SS..  trans-93128.7177-174.8159.5-176.9165.40111.1D60 K68 F81D60-K66 HydrophobicContact CB-CD 4Å; K66-K68 PolarHBondContact O-N 3.14Å; K66-F81 WeakPolarHBondContact O-CD1 3.42Å
67L92.2Very high89.2Confident7 Ų756 Ų564%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-73113.6166.4178.765.2000108.3I52 L55 Q56 D69 L79 F81I52-L67 HydrophobicContact CG2-CD2 3.68Å; L55-L67 HydrophobicContact CB-CD2 4.35Å; Q56-L67 HydrophobicContact CB-CD2 4.13Å; L67-D69 VanDerWaalsContact CD1-O 3.32Å; L67-D69 WeakPolarHBondContact CD1-O 3.34Å; L67-L79 HydrophobicContact CD1-CB 3.92Å; L67-L79 HydrophobicContact CD1-CD2 3.85Å; L67-L79 HydrophobicContact CD1-CG 4.44Å; L67-L79 HydrophobicContact CD2-CD2 4.33Å; L67-F81 HydrophobicContact CB-CD1 4.44Å; L67-F81 HydrophobicContact CB-CE1 3.93Å; L67-F81 HydrophobicContact CD1-CD1 4.25Å; L67-F81 HydrophobicContact CD1-CE1 3.72Å; L67-F81 HydrophobicContact CD1-CE2 4.48Å; L67-F81 HydrophobicContact CD1-CZ 3.85Å; L67-F81 HydrophobicContact CG-CE1 4.44Å
68K91.4Very high89.3Confident67 Ų6748.4 Ų48.429%0.29126%0.264SS..EExtended strand (participates in β ladder)trans-80.4-47.9-179.8-72.5-176.7140.3172.80111.4E28 Q56 K66 V80 D82E28-K68 IonicContact OE1-NZ 2.62Å; E28-K68 PolarHBondContact OE1-NZ 2.89Å; E28-K68 IonicContact OE2-NZ 2.8Å; E28-K68 PolarHBondContact OE2-NZ 3.25Å; Q56-K68 PolarHBondContact NE2-O 2.83Å; K66-K68 PolarHBondContact O-N 3.14Å; K68-V80 HydrophobicContact CB-CG1 4.39Å; K68-V80 PolarHBondContact N-O 2.83Å; K68-D82 WeakPolarHBondContact CE-OD1 3.22Å; K68-D82 IonicContact NZ-OD1 2.63Å; K68-D82 PolarHBondContact NZ-OD1 3.26Å
69D91.4Very high89.6Confident56 Ų5647.2 Ų47.230%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-157.4165.3-173.8-16717.9000110.9L67 V80L67-D69 VanDerWaalsContact CD1-O 3.32Å; L67-D69 WeakPolarHBondContact CD1-O 3.34Å; D69-V80 HydrophobicContact CB-CB 4.03Å; D69-V80 HydrophobicContact CB-CG2 3.99Å; D69-V80 WeakPolarHBondContact O-CB 3.28Å; D69-V80 PolarHBondContact O-N 3.4Å
70F91.3Very high89.8Confident37 Ų3740.1 Ų40.116%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-147.6147.3169.179.9-76.8000111.2V49 I52 K53 V78 L79V49-F70 HydrophobicContact CG1-CZ 4.26Å; I52-F70 HydrophobicContact CD1-CD2 4.47Å; I52-F70 HydrophobicContact CG2-CB 4.07Å; I52-F70 HydrophobicContact CG2-CD1 3.53Å; I52-F70 HydrophobicContact CG2-CD2 4Å; I52-F70 HydrophobicContact CG2-CE1 3.91Å; I52-F70 HydrophobicContact CG2-CE2 4.35Å; I52-F70 HydrophobicContact CG2-CG 3.58Å; I52-F70 HydrophobicContact CG2-CZ 4.31Å; K53-F70 HydrophobicContact CG-CE1 4.38Å; F70-V78 CarbonylContact C-O 3.58Å; F70-V78 VanDerWaalsContact CA-O 3.23Å; F70-V78 WeakPolarHBondContact CA-O 3.19Å; F70-L79 HydrophobicContact CB-CD2 3.76Å
71F88.5Confident90Very high26 Ų2636.6 Ų36.611%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-147.7149.5177.755.9-93.7000112.3M1 Y4 H73 F77 V78 V80M1-F71 HydrophobicContact CB-CE2 4.24Å; M1-F71 VanDerWaalsContact N-CE2 3.32Å; Y4-F71 HydrophobicContact CD2-CE1 4.08Å; Y4-F71 HydrophobicContact CD2-CZ 4.17Å; Y4-F71 HydrophobicContact CE2-CD1 4.4Å; Y4-F71 AromaticContact CE2-CE1 3.59Å; Y4-F71 HydrophobicContact CE2-CE1 3.59Å; Y4-F71 HydrophobicContact CE2-CZ 4.15Å; F71-H73 HydrophobicContact CD2-CB 4.23Å; F71-H73 HydrophobicContact CE2-CB 4.14Å; F71-F77 CarbonylContact O-C 3.59Å; F71-F77 WeakPolarHBondContact O-CA 3.43Å; F71-F77 WeakPolarHBondContact O-CB 3.27Å; F71-V78 HydrophobicContact CD2-CB 4.18Å; F71-V78 HydrophobicContact CE1-CB 4.15Å; F71-V78 HydrophobicContact CE1-CG1 4.01Å; F71-V78 HydrophobicContact CE2-CB 3.65Å; F71-V78 HydrophobicContact CE2-CG1 4.16Å; F71-V78 HydrophobicContact CE2-CG2 3.92Å; F71-V78 HydrophobicContact CZ-CB 3.63Å; F71-V78 HydrophobicContact CZ-CG1 3.62Å; F71-V78 HydrophobicContact CZ-CG2 4.21Å; F71-V78 PolarHBondContact N-O 2.92Å; F71-V78 PolarHBondContact O-N 3.05Å; F71-V80 HydrophobicContact CD1-CG2 4.13Å; F71-V80 HydrophobicContact CE1-CG2 3.68Å
72P85.9Confident89.9Confident99 Ų9936.8 Ų36.864%0.64321%0.206SC*.EExtended strand (participates in β ladder)trans-65.1141.1172.928.6-34.6000110.5
73H85.4Confident89.7Confident50 Ų5034 Ų3423%0.23119%0.193CC..EExtended strand (participates in β ladder)trans-156.5118.3177.517770.5000111.7M1 F71 T75 G76 V78M1-H73 WeakPolarHBondContact CE-NE2 3.44Å; M1-H73 PolarHBondContact SD-CE1 3.05Å; F71-H73 HydrophobicContact CD2-CB 4.23Å; F71-H73 HydrophobicContact CE2-CB 4.14Å; H73-T75 PolarHBondContact O-N 3.49Å; H73-G76 PolarHBondContact N-O 3.39Å; H73-G76 CarbonylContact O-C 3.58Å; H73-G76 PolarHBondContact O-N 2.93Å; H73-V78 HydrophobicContact CB-CG2 3.81Å
74G81.3Confident89.5Confident71 Ų7134.2 Ų34.273%0.73219%0.193SC*.THydrogen-bonded Turntrans58.7-129.5-177.900000111.3G76G74-G76 PolarHBondContact O-N 3.19Å
75T77.8Confident89.3Confident72 Ų7236.2 Ų36.244%0.44220%0.204SC..THydrogen-bonded Turntrans-83.717.4-178.459.90000114.1L37 L40 H73L37-T75 WeakPolarHBondContact CB-O 3.47Å; L37-T75 PolarHBondContact N-O 3.45Å; L37-T75 VanDerWaalsContact N-O 3.14Å; L40-T75 HydrophobicContact CD1-CG2 3.98Å; L40-T75 VanDerWaalsContact CD2-CA 3.46Å; L40-T75 HydrophobicContact CD2-CG2 3.49Å; L40-T75 VanDerWaalsContact CD2-CG2 3.49Å; L40-T75 HydrophobicContact CG-CG2 4.29Å; H73-T75 PolarHBondContact O-N 3.49Å
76G82.9Confident89.3Confident4 Ų436 Ų364%0.04120%0.202CC..EExtended strand (participates in β ladder)trans-169.3-138.6-179.400000112.1V35 H73 G74V35-G76 WeakPolarHBondContact O-CA 3.43Å; H73-G76 PolarHBondContact N-O 3.39Å; H73-G76 CarbonylContact O-C 3.58Å; H73-G76 PolarHBondContact O-N 2.93Å; G74-G76 PolarHBondContact O-N 3.19Å
77F85.3Confident89.4Confident0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-144166.2-178.862-92.2000111.8V35 L37 I44 I52 F71 L79 F152V35-F77 HydrophobicContact CB-CD2 4.3Å; V35-F77 HydrophobicContact CB-CE1 4.21Å; V35-F77 HydrophobicContact CB-CE2 3.91Å; V35-F77 HydrophobicContact CB-CZ 3.9Å; V35-F77 HydrophobicContact CG1-CE1 4.21Å; V35-F77 HydrophobicContact CG1-CE2 4.48Å; V35-F77 HydrophobicContact CG1-CZ 4Å; V35-F77 HydrophobicContact CG2-CE2 3.98Å; V35-F77 HydrophobicContact CG2-CZ 4.29Å; V35-F77 PolarHBondContact N-O 3.31Å; V35-F77 PolarHBondContact O-N 3.04Å; L37-F77 HydrophobicContact CD2-CD1 4.34Å; L37-F77 HydrophobicContact CD2-CE1 4.14Å; I44-F77 HydrophobicContact CD1-CB 3.7Å; I44-F77 HydrophobicContact CD1-CD1 3.91Å; I44-F77 HydrophobicContact CD1-CG 4.05Å; I44-F77 HydrophobicContact CG1-CB 4.45Å; I44-F77 HydrophobicContact CG1-CD1 3.97Å; I44-F77 HydrophobicContact CG2-CD1 4.28Å; I44-F77 HydrophobicContact CG2-CE1 4.28Å; I52-F77 HydrophobicContact CD1-CD2 4.29Å; I52-F77 HydrophobicContact CD1-CE1 4.41Å; I52-F77 HydrophobicContact CD1-CE2 3.67Å; I52-F77 HydrophobicContact CD1-CZ 3.7Å; F71-F77 CarbonylContact O-C 3.59Å; F71-F77 WeakPolarHBondContact O-CA 3.43Å; F71-F77 WeakPolarHBondContact O-CB 3.27Å; F77-L79 HydrophobicContact CD2-CD2 4.01Å; F77-L79 HydrophobicContact CD2-CG 4Å; F77-L79 HydrophobicContact CE2-CD1 4.03Å; F77-L79 HydrophobicContact CE2-CD2 3.72Å; F77-L79 HydrophobicContact CE2-CG 3.72Å; F77-F152 HydrophobicContact CE1-CE1 4.38Å; F77-F152 AromaticContact CE1-CZ 3.67Å; F77-F152 HydrophobicContact CE1-CZ 3.67Å; F77-F152 HydrophobicContact CZ-CE2 4.07Å; F77-F152 AromaticContact CZ-CZ 3.49Å; F77-F152 HydrophobicContact CZ-CZ 3.49Å; F77-F152 VanDerWaalsContact CZ-CZ 3.49Å
78V89.5Confident89.5Confident1 Ų132.7 Ų32.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-119.6132.3177.6175.30000108.2L32 K33 K34 F70 F71 H73L32-V78 HydrophobicContact CB-CG1 3.82Å; L32-V78 HydrophobicContact CD2-CG1 4Å; L32-V78 HydrophobicContact CG-CG1 4.36Å; K33-V78 WeakPolarHBondContact O-CA 3.28Å; K34-V78 HydrophobicContact CB-CG2 4.31Å; K34-V78 HydrophobicContact CG-CG2 4.36Å; F70-V78 CarbonylContact C-O 3.58Å; F70-V78 VanDerWaalsContact CA-O 3.23Å; F70-V78 WeakPolarHBondContact CA-O 3.19Å; F71-V78 HydrophobicContact CD2-CB 4.18Å; F71-V78 HydrophobicContact CE1-CB 4.15Å; F71-V78 HydrophobicContact CE1-CG1 4.01Å; F71-V78 HydrophobicContact CE2-CB 3.65Å; F71-V78 HydrophobicContact CE2-CG1 4.16Å; F71-V78 HydrophobicContact CE2-CG2 3.92Å; F71-V78 HydrophobicContact CZ-CB 3.63Å; F71-V78 HydrophobicContact CZ-CG1 3.62Å; F71-V78 HydrophobicContact CZ-CG2 4.21Å; F71-V78 PolarHBondContact N-O 2.92Å; F71-V78 PolarHBondContact O-N 3.05Å; H73-V78 HydrophobicContact CB-CG2 3.81Å
79L91.1Very high89.6Confident0 Ų030.3 Ų30.30%018%0.18CC..EExtended strand (participates in β ladder)trans-100.3137.1170.2-60.1169.2000108.8L32 K33 V35 I52 L67 F70 F77 F81 L148L32-L79 WeakPolarHBondContact CA-O 3.46Å; K33-L79 HydrophobicContact CB-CB 4.4Å; K33-L79 PolarHBondContact N-O 3.36Å; K33-L79 PolarHBondContact O-N 3.42Å; V35-L79 HydrophobicContact CG2-CD1 4.19Å; I52-L79 HydrophobicContact CD1-CD2 4.34Å; I52-L79 HydrophobicContact CG1-CD2 4.44Å; I52-L79 HydrophobicContact CG2-CD2 4.13Å; L67-L79 HydrophobicContact CD1-CB 3.92Å; L67-L79 HydrophobicContact CD1-CD2 3.85Å; L67-L79 HydrophobicContact CD1-CG 4.44Å; L67-L79 HydrophobicContact CD2-CD2 4.33Å; F70-L79 HydrophobicContact CB-CD2 3.76Å; F77-L79 HydrophobicContact CD2-CD2 4.01Å; F77-L79 HydrophobicContact CD2-CG 4Å; F77-L79 HydrophobicContact CE2-CD1 4.03Å; F77-L79 HydrophobicContact CE2-CD2 3.72Å; F77-L79 HydrophobicContact CE2-CG 3.72Å; L79-F81 HydrophobicContact CB-CD2 4.22Å; L79-F81 HydrophobicContact CB-CE2 3.43Å; L79-F81 VanDerWaalsContact CB-CE2 3.43Å; L79-F81 HydrophobicContact CB-CZ 3.86Å; L79-F81 HydrophobicContact CD1-CE2 4.12Å; L79-F81 HydrophobicContact CD1-CZ 4.08Å; L79-F81 HydrophobicContact CG-CE2 4.43Å; L79-L148 HydrophobicContact CD1-CD1 3.64Å; L79-L148 HydrophobicContact CD1-CD2 3.41Å; L79-L148 VanDerWaalsContact CD1-CD2 3.41Å; L79-L148 HydrophobicContact CD1-CG 4.18Å
80V93.6Very high89.5Confident2 Ų229 Ų291%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-108.8122.3-177.8-170.80000109.2Y4 V30 L32 K68 D69 F71Y4-V80 HydrophobicContact CE1-CG1 4.03Å; V30-V80 HydrophobicContact CB-CG1 4.14Å; V30-V80 HydrophobicContact CG1-CG1 4.27Å; V30-V80 HydrophobicContact CG2-CG1 4.34Å; L32-V80 HydrophobicContact CD2-CB 4.24Å; L32-V80 HydrophobicContact CD2-CG1 3.99Å; L32-V80 HydrophobicContact CD2-CG2 3.77Å; K68-V80 HydrophobicContact CB-CG1 4.39Å; K68-V80 PolarHBondContact N-O 2.83Å; D69-V80 HydrophobicContact CB-CB 4.03Å; D69-V80 HydrophobicContact CB-CG2 3.99Å; D69-V80 WeakPolarHBondContact O-CB 3.28Å; D69-V80 PolarHBondContact O-N 3.4Å; F71-V80 HydrophobicContact CD1-CG2 4.13Å; F71-V80 HydrophobicContact CE1-CG2 3.68Å
81F93.9Very high89.6Confident30 Ų3027.5 Ų27.513%0.13217%0.166CC..EExtended strand (participates in β ladder)trans-126.7163.2179.3-60.4-77000110.8V30 A31 K33 V65 K66 L67 L79 L148V30-F81 WeakPolarHBondContact CA-O 3.26Å; V30-F81 WeakPolarHBondContact CB-O 3.43Å; A31-F81 HydrophobicContact CB-CB 4.41Å; A31-F81 PolarHBondContact N-O 3.12Å; A31-F81 PolarHBondContact O-N 3.12Å; K33-F81 HydrophobicContact CB-CD2 4.39Å; K33-F81 HydrophobicContact CB-CE2 4.1Å; K33-F81 HydrophobicContact CD-CE2 4.45Å; V65-F81 HydrophobicContact CG1-CB 4.03Å; V65-F81 HydrophobicContact CG1-CD1 3.51Å; V65-F81 HydrophobicContact CG1-CE1 4.27Å; V65-F81 HydrophobicContact CG1-CG 4.06Å; K66-F81 WeakPolarHBondContact O-CD1 3.42Å; L67-F81 HydrophobicContact CB-CD1 4.44Å; L67-F81 HydrophobicContact CB-CE1 3.93Å; L67-F81 HydrophobicContact CD1-CD1 4.25Å; L67-F81 HydrophobicContact CD1-CE1 3.72Å; L67-F81 HydrophobicContact CD1-CE2 4.48Å; L67-F81 HydrophobicContact CD1-CZ 3.85Å; L67-F81 HydrophobicContact CG-CE1 4.44Å; L79-F81 HydrophobicContact CB-CD2 4.22Å; L79-F81 HydrophobicContact CB-CE2 3.43Å; L79-F81 VanDerWaalsContact CB-CE2 3.43Å; L79-F81 HydrophobicContact CB-CZ 3.86Å; L79-F81 HydrophobicContact CD1-CE2 4.12Å; L79-F81 HydrophobicContact CD1-CZ 4.08Å; L79-F81 HydrophobicContact CG-CE2 4.43Å; F81-L148 HydrophobicContact CZ-CD1 4.4Å
82D92.9Very high89.7Confident40 Ų4027.2 Ų27.221%0.21417%0.166CC..EExtended strand (participates in β ladder)trans-57.6139163.4-70.4-42.1000110.9K68 M84K68-D82 WeakPolarHBondContact CE-OD1 3.22Å; K68-D82 IonicContact NZ-OD1 2.63Å; K68-D82 PolarHBondContact NZ-OD1 3.26Å; D82-M84 HydrophobicContact CB-CE 3.6Å; D82-M84 PolarHBondContact O-N 2.93Å
83F93Very high89.8Confident54 Ų5429.5 Ų29.524%0.23716%0.162CC..  trans-71.9128.6172.7176.1-99.6000110.6I10 Q20 T29I10-F83 HydrophobicContact CD1-CD2 4.06Å; I10-F83 HydrophobicContact CD1-CE2 3.82Å; Q20-F83 HydrophobicContact CB-CD2 4.43Å; Q20-F83 HydrophobicContact CB-CE2 4.25Å; Q20-F83 HydrophobicContact CG-CD2 3.86Å; Q20-F83 HydrophobicContact CG-CE2 3.79Å; T29-F83 HydrophobicContact CG2-CB 3.8Å; T29-F83 HydrophobicContact CG2-CD1 4.05Å; T29-F83 HydrophobicContact CG2-CD2 4.34Å; T29-F83 HydrophobicContact CG2-CG 3.79Å
84M93.3Very high89.9Confident14 Ų1431.2 Ų31.27%0.06917%0.172CC..  trans-106.6142.4173.6-57.3-64158.500109.3V65 D82 L134 T136 K142V65-M84 HydrophobicContact CG2-CE 4.21Å; D82-M84 HydrophobicContact CB-CE 3.6Å; D82-M84 PolarHBondContact O-N 2.93Å; M84-L134 HydrophobicContact CB-CB 3.69Å; M84-L134 HydrophobicContact CB-CD1 4.03Å; M84-L134 HydrophobicContact CB-CG 4.4Å; M84-L134 HydrophobicContact CG-CB 3.57Å; M84-L134 HydrophobicContact CG-CD1 3.67Å; M84-L134 HydrophobicContact CG-CG 4.27Å; M84-T136 HydrophobicContact CE-CG2 4.42Å; M84-T136 HydrophobicContact SD-CG2 3.56Å; M84-T136 VanDerWaalsContact SD-CG2 3.56Å; M84-K142 HydrophobicContact CE-CD 3.59Å; M84-K142 HydrophobicContact SD-CD 4.24Å
85L90.9Very high90Very high46 Ų4629.9 Ų29.924%0.24115%0.152CC..SBendtrans-75.4-37.5-172.9-178.260.4000112.1I135 I330 R333L85-I135 PolarHBondContact N-O 2.89Å; L85-I330 HydrophobicContact CD2-CG2 3.4Å; L85-I330 HydrophobicContact CG-CG2 4.34Å; L85-R333 VanDerWaalsContact O-CD 3.31Å; L85-R333 WeakPolarHBondContact O-CD 3.36Å
86S92.2Very high90.2Very high1 Ų131.8 Ų31.81%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-155.4-168.1-175.7-171.50000110.7E90 L134 I135 P331S86-E90 WeakPolarHBondContact CB-OE2 3.45Å; S86-E90 VanDerWaalsContact OG-CB 3.31Å; S86-E90 WeakPolarHBondContact OG-CB 3.16Å; S86-E90 PolarHBondContact OG-OE2 2.82Å; S86-L134 WeakPolarHBondContact O-CA 3.34Å; S86-I135 PolarHBondContact N-O 3.25Å; S86-I135 PolarHBondContact O-N 2.81Å; S86-P331 WeakPolarHBondContact OG-CB 3.22Å; S86-P331 WeakPolarHBondContact OG-CG 3.28Å
87D93.3Very high90.4Very high15 Ų1538.5 Ų38.58%0.0819%0.189CC..EExtended strand (participates in β ladder)trans-141.6163.2175.163.171.3000111S89 E90 V91 L133 L134 R333D87-S89 PolarHBondContact O-N 2.81Å; D87-S89 VanDerWaalsContact OD1-CA 3.27Å; D87-S89 WeakPolarHBondContact OD1-CA 3.35Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.82Å; D87-E90 PolarHBondContact O-N 2.87Å; D87-E90 VanDerWaalsContact O-N 3.17Å; D87-E90 PolarHBondContact OD1-N 2.91Å; D87-V91 PolarHBondContact O-N 3.46Å; D87-V91 VanDerWaalsContact O-N 3.11Å; D87-L133 CarbonylContact C-O 3.33Å; D87-L133 WeakPolarHBondContact CA-O 3.5Å; D87-L134 HydrophobicContact CB-CD2 3.89Å; D87-R333 IonicContact OD2-NH2 3.5Å
88L94.8Very high90.6Very high1 Ų142.4 Ų42.41%0.00521%0.214CC..Hα-helixtrans-63.5-26.4-177.4-169.966000112.3V91 I92 Y107 P130 L133 L141 I193 L197L88-V91 HydrophobicContact CD1-CB 4.35Å; L88-V91 HydrophobicContact CD1-CG1 4.49Å; L88-V91 WeakPolarHBondContact O-CB 3.41Å; L88-V91 PolarHBondContact O-N 2.92Å; L88-I92 HydrophobicContact CG-CD1 4.07Å; L88-I92 WeakPolarHBondContact O-CD1 2.94Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.45Å; L88-I92 PolarHBondContact O-N 3.47Å; L88-Y107 HydrophobicContact CD1-CD1 3.72Å; L88-Y107 HydrophobicContact CD1-CD2 3.87Å; L88-Y107 HydrophobicContact CD1-CE1 3.84Å; L88-Y107 HydrophobicContact CD1-CE2 3.98Å; L88-Y107 HydrophobicContact CD1-CG 3.74Å; L88-P130 HydrophobicContact CB-CB 4.11Å; L88-P130 HydrophobicContact CD2-CB 4.45Å; L88-P130 HydrophobicContact CG-CB 4.36Å; L88-P130 PolarHBondContact N-O 3.1Å; L88-L133 HydrophobicContact CB-CB 3.93Å; L88-L133 HydrophobicContact CD2-CB 4.41Å; L88-L133 HydrophobicContact CD2-CD1 3.65Å; L88-L133 PolarHBondContact N-O 2.62Å; L88-L141 HydrophobicContact CD2-CD1 4.3Å; L88-I193 HydrophobicContact CD2-CG2 4.09Å; L88-L197 HydrophobicContact CD1-CD2 4.06Å; L88-L197 HydrophobicContact CD2-CD1 4.36Å; L88-L197 HydrophobicContact CD2-CD2 4.1Å; L88-L197 HydrophobicContact CG-CD2 4.24Å
89S92.8Very high90.8Very high17 Ų1743.1 Ų43.112%0.11922%0.218CC..Hα-helixtrans-67.9-42.3176.2-150.50000111.4D87 V91 I92 R93 P130D87-S89 PolarHBondContact O-N 2.81Å; D87-S89 VanDerWaalsContact OD1-CA 3.27Å; D87-S89 WeakPolarHBondContact OD1-CA 3.35Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.82Å; S89-V91 VanDerWaalsContact C-N 3.33Å; S89-I92 PolarHBondContact O-N 2.92Å; S89-R93 WeakPolarHBondContact O-CB 3.46Å; S89-R93 WeakPolarHBondContact O-CG 3.43Å; S89-R93 PolarHBondContact O-N 3.06Å; S89-R93 PolarHBondContact OG-NH1 3.17Å; S89-P130 PolarHBondContact N-O 2.81Å
90E90.8Very high91Very high30 Ų3046.4 Ų46.414%0.1424%0.238CC..Hα-helixtrans-62.8-37.8171.2-74.3-179.2-170.200111.9S86 D87 N94 P331 R333S86-E90 WeakPolarHBondContact CB-OE2 3.45Å; S86-E90 VanDerWaalsContact OG-CB 3.31Å; S86-E90 WeakPolarHBondContact OG-CB 3.16Å; S86-E90 PolarHBondContact OG-OE2 2.82Å; D87-E90 PolarHBondContact O-N 2.87Å; D87-E90 VanDerWaalsContact O-N 3.17Å; D87-E90 PolarHBondContact OD1-N 2.91Å; E90-N94 WeakPolarHBondContact O-CB 3.38Å; E90-N94 PolarHBondContact O-N 2.96Å; E90-N94 PolarHBondContact O-ND2 2.95Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å; E90-P331 HydrophobicContact CB-CB 4.49Å; E90-P331 HydrophobicContact CB-CG 4.37Å; E90-R333 IonicContact OE1-CZ 2.62Å; E90-R333 IonicContact OE1-NE 3.71Å; E90-R333 PolarHBondContact OE1-NE 3.48Å; E90-R333 IonicContact OE1-NH2 3.59Å; E90-R333 PolarHBondContact OE1-NH2 2.87Å; E90-R333 IonicContact OE2-NE 3.05Å
91V92Very high91.2Very high4 Ų450 Ų502%0.02426%0.262CS..Hα-helixtrans-59.6-53.2174.4171.70000111.3D87 L88 S89 R93 N94 S95 L99 Y107 I135 P329 P331D87-V91 PolarHBondContact O-N 3.46Å; D87-V91 VanDerWaalsContact O-N 3.11Å; L88-V91 HydrophobicContact CD1-CB 4.35Å; L88-V91 HydrophobicContact CD1-CG1 4.49Å; L88-V91 WeakPolarHBondContact O-CB 3.41Å; L88-V91 PolarHBondContact O-N 2.92Å; S89-V91 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.32Å; V91-N94 PolarHBondContact O-N 3.28Å; V91-S95 PolarHBondContact O-N 2.8Å; V91-S95 VanDerWaalsContact O-N 3.15Å; V91-L99 HydrophobicContact CG1-CD1 4.36Å; V91-L99 HydrophobicContact CG1-CD2 4.11Å; V91-Y107 HydrophobicContact CG1-CE2 4.1Å; V91-I135 HydrophobicContact CB-CD1 4.47Å; V91-I135 HydrophobicContact CG2-CD1 3.3Å; V91-P329 HydrophobicContact CG1-CG 3.84Å; V91-P331 HydrophobicContact CB-CG 4.17Å; V91-P331 HydrophobicContact CG2-CG 3.38Å
92I91Very high91.4Very high20 Ų2049.5 Ų49.510%0.10326%0.263CS..Hα-helixtrans-61.2-47.9-177.1-66161.9000110L88 S89 N94 P130 E196 L197L88-I92 HydrophobicContact CG-CD1 4.07Å; L88-I92 WeakPolarHBondContact O-CD1 2.94Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.45Å; L88-I92 PolarHBondContact O-N 3.47Å; S89-I92 PolarHBondContact O-N 2.92Å; I92-N94 PolarHBondContact O-N 3.47Å; I92-P130 HydrophobicContact CD1-CB 4.16Å; I92-P130 HydrophobicContact CD1-CG 4.2Å; I92-E196 HydrophobicContact CD1-CG 4.21Å; I92-L197 HydrophobicContact CD1-CD2 3.84Å; I92-L197 HydrophobicContact CG1-CD2 3.96Å
93R89Confident91.5Very high148 Ų14849.4 Ų49.456%0.55826%0.261SS*.Hα-helixtrans-66-37.5-178.4-74.6-167.4-60-84-6.5114.3S89 V91S89-R93 WeakPolarHBondContact O-CB 3.46Å; S89-R93 WeakPolarHBondContact O-CG 3.43Å; S89-R93 PolarHBondContact O-N 3.06Å; S89-R93 PolarHBondContact OG-NH1 3.17Å; V91-R93 PolarHBondContact O-N 3.32Å
94N86.6Confident91.8Very high86 Ų8647 Ų4746%0.4625%0.251SS..Hα-helixtrans-90.5-7.6-173.1-69.1-39.6000113.5E90 V91 I92 L96E90-N94 WeakPolarHBondContact O-CB 3.38Å; E90-N94 PolarHBondContact O-N 2.96Å; E90-N94 PolarHBondContact O-ND2 2.95Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å; V91-N94 PolarHBondContact O-N 3.28Å; I92-N94 PolarHBondContact O-N 3.47Å; N94-L96 PolarHBondContact O-N 3.45Å
95S84.4Confident92Very high42 Ų4246.4 Ų46.429%0.29425%0.248SC..  trans-62.8133.4176.5-154.50000110.4V91 Q97V91-S95 PolarHBondContact O-N 2.8Å; V91-S95 VanDerWaalsContact O-N 3.15Å; S95-Q97 VanDerWaalsContact C-N 3.32Å; S95-Q97 VanDerWaalsContact CB-O 3.27Å; S95-Q97 WeakPolarHBondContact CB-O 3.37Å; S95-Q97 PolarHBondContact OG-O 2.88Å
96L81.8Confident92.4Very high113 Ų11344.4 Ų44.459%0.59224%0.238SC*.SBendtrans-78.8-23.3175.2-79165000111.9N94N94-L96 PolarHBondContact O-N 3.45Å
97Q86.6Confident92.6Very high145 Ų14544.4 Ų44.468%0.67824%0.238SC*.SBendtrans-136.4155.8-178.1-65.2-62-35.500108.1S95S95-Q97 VanDerWaalsContact C-N 3.32Å; S95-Q97 VanDerWaalsContact CB-O 3.27Å; S95-Q97 WeakPolarHBondContact CB-O 3.37Å; S95-Q97 PolarHBondContact OG-O 2.88Å
98P90.3Very high92.9Very high82 Ų8243.7 Ų43.753%0.53223%0.234SC..PPolyproline II helixtrans-51.1147.2170-26.635.9000111.6
99L93.6Very high93.1Very high16 Ų1645.2 Ų45.28%0.08424%0.242CC..PPolyproline II helixtrans-61.9139.9175.4-68.3175.7000109.7V91 Q103 V104 Y107 L197 P329V91-L99 HydrophobicContact CG1-CD1 4.36Å; V91-L99 HydrophobicContact CG1-CD2 4.11Å; L99-Q103 HydrophobicContact CB-CB 4.28Å; L99-Q103 HydrophobicContact CD2-CB 4.47Å; L99-V104 HydrophobicContact CB-CG2 3.81Å; L99-Y107 HydrophobicContact CD1-CD2 4.08Å; L99-Y107 HydrophobicContact CD1-CE2 4.1Å; L99-L197 HydrophobicContact CD1-CD2 3.64Å; L99-P329 HydrophobicContact CD2-CG 3.77Å
100T95.4Very high93.4Very high68 Ų6845 Ų4542%0.41724%0.239SC..PPolyproline II helixtrans-66.615517766.50000110.5A102 Q103 V104T100-A102 PolarHBondContact O-N 3.47Å; T100-A102 VanDerWaalsContact O-N 3.12Å; T100-Q103 WeakPolarHBondContact O-CA 3.4Å; T100-Q103 WeakPolarHBondContact O-CB 3.41Å; T100-Q103 PolarHBondContact O-N 3.23Å; T100-Q103 VanDerWaalsContact OG1-CG 3.29Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.36Å; T100-Q103 PolarHBondContact OG1-N 3.03Å; T100-Q103 PolarHBondContact OG1-OE1 2.86Å; T100-V104 PolarHBondContact O-N 3.3Å
101P96.5Very high93.7Very high78 Ų7843.6 Ų43.651%0.50623%0.233SC..Hα-helixtrans-55.8-34.2178.4-27.134.9000113.5K105 P320P101-K105 WeakPolarHBondContact O-CB 3.41Å; P101-K105 VanDerWaalsContact O-CG 3.26Å; P101-K105 WeakPolarHBondContact O-CG 3.5Å; P101-K105 PolarHBondContact O-N 2.8Å; P101-P320 HydrophobicContact CB-CG 3.84Å
102A97.4Very high94.1Very high19 Ų1943.4 Ų43.416%0.15723%0.232CC..Hα-helixtrans-64.2-43174.500000112T100 K105 G106 P320 L321 A323T100-A102 PolarHBondContact O-N 3.47Å; T100-A102 VanDerWaalsContact O-N 3.12Å; A102-K105 PolarHBondContact O-N 2.96Å; A102-G106 PolarHBondContact O-N 2.98Å; A102-P320 HydrophobicContact CB-CB 4.16Å; A102-P320 HydrophobicContact CB-CG 4.27Å; A102-L321 WeakPolarHBondContact CB-O 3.34Å; A102-A323 HydrophobicContact CB-CB 4.02Å; A102-A323 WeakPolarHBondContact O-CB 3.03Å; A102-A323 PolarHBondContact O-N 3.41Å
103Q97Very high94.4Very high39 Ų3946.9 Ų46.918%0.18225%0.246CC..Hα-helixtrans-66.6-43.9177.5-71.4166.7-29.900111.9L99 T100 K105 G106 Y107 A323 L328L99-Q103 HydrophobicContact CB-CB 4.28Å; L99-Q103 HydrophobicContact CD2-CB 4.47Å; T100-Q103 WeakPolarHBondContact O-CA 3.4Å; T100-Q103 WeakPolarHBondContact O-CB 3.41Å; T100-Q103 PolarHBondContact O-N 3.23Å; T100-Q103 VanDerWaalsContact OG1-CG 3.29Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.36Å; T100-Q103 PolarHBondContact OG1-N 3.03Å; T100-Q103 PolarHBondContact OG1-OE1 2.86Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 3.37Å; Q103-G106 PolarHBondContact O-N 3.21Å; Q103-G106 VanDerWaalsContact O-N 3.14Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.12Å; Q103-Y107 PolarHBondContact O-N 3.36Å; Q103-A323 HydrophobicContact CG-CB 4.38Å; Q103-L328 HydrophobicContact CB-CD2 3.94Å; Q103-L328 HydrophobicContact CG-CD2 3.9Å
104V97.4Very high94.9Very high3 Ų339.8 Ų39.82%0.01822%0.219CC..Hα-helixtrans-58-47.3174.8175.70000110.4L99 T100 G106 Y107 M108 F194 L197 L198L99-V104 HydrophobicContact CB-CG2 3.81Å; T100-V104 PolarHBondContact O-N 3.3Å; V104-G106 VanDerWaalsContact C-N 3.33Å; V104-G106 PolarHBondContact O-N 2.84Å; V104-Y107 PolarHBondContact O-N 2.78Å; V104-M108 HydrophobicContact CG1-CG 4.31Å; V104-M108 WeakPolarHBondContact O-CB 3.48Å; V104-M108 WeakPolarHBondContact O-CG 3.22Å; V104-M108 PolarHBondContact O-N 3.13Å; V104-F194 HydrophobicContact CG1-CD2 4.04Å; V104-F194 HydrophobicContact CG1-CE2 3.74Å; V104-L197 HydrophobicContact CG1-CB 3.96Å; V104-L197 HydrophobicContact CG2-CB 4.25Å; V104-L198 HydrophobicContact CG1-CD2 4.04Å
105K98.5Very high95.4Very high1 Ų135.8 Ų35.80%0.00420%0.198CC..Hα-helixtrans-58.5-42.4174.7-76.7176.3-170.4-162.10112.3P101 A102 Q103 M109 F315 F316 S318 P320 P322P101-K105 WeakPolarHBondContact O-CB 3.41Å; P101-K105 VanDerWaalsContact O-CG 3.26Å; P101-K105 WeakPolarHBondContact O-CG 3.5Å; P101-K105 PolarHBondContact O-N 2.8Å; A102-K105 PolarHBondContact O-N 2.96Å; Q103-K105 VanDerWaalsContact C-N 3.33Å; Q103-K105 PolarHBondContact O-N 3.37Å; K105-M109 VanDerWaalsContact O-CB 3.23Å; K105-M109 WeakPolarHBondContact O-CB 3.35Å; K105-M109 PolarHBondContact O-N 3.48Å; K105-F315 HydrophobicContact CB-CE1 4.35Å; K105-F315 HydrophobicContact CB-CZ 4.42Å; K105-F315 HydrophobicContact CD-CE2 4.34Å; K105-F315 HydrophobicContact CD-CZ 4.29Å; K105-F315 WeakPolarHBondContact CD-O 3.46Å; K105-F315 WeakPolarHBondContact CE-O 3.14Å; K105-F315 HydrophobicContact CG-CD1 4.14Å; K105-F315 HydrophobicContact CG-CD2 4.44Å; K105-F315 HydrophobicContact CG-CE1 3.5Å; K105-F315 VanDerWaalsContact CG-CE1 3.5Å; K105-F315 HydrophobicContact CG-CE2 3.82Å; K105-F315 HydrophobicContact CG-CZ 3.31Å; K105-F315 PolarHBondContact NZ-O 3.29Å; K105-F316 HydrophobicContact CB-CD1 4.37Å; K105-F316 WeakPolarHBondContact O-CE1 3.27Å; K105-S318 PolarHBondContact NZ-O 2.89Å; K105-S318 PolarHBondContact NZ-OG 2.56Å; K105-P320 WeakPolarHBondContact CD-O 3.17Å; K105-P320 WeakPolarHBondContact CE-O 3.33Å; K105-P320 PolarHBondContact NZ-O 2.84Å; K105-P322 HydrophobicContact CB-CB 3.92Å; K105-P322 HydrophobicContact CB-CG 4.02Å
106G98.2Very high96.1Very high4 Ų434 Ų344%0.04119%0.186CC..Hα-helixtrans-59.9-50.5177.300000112.5A102 Q103 V104 M109 M110A102-G106 PolarHBondContact O-N 2.98Å; Q103-G106 PolarHBondContact O-N 3.21Å; Q103-G106 VanDerWaalsContact O-N 3.14Å; V104-G106 VanDerWaalsContact C-N 3.33Å; V104-G106 PolarHBondContact O-N 2.84Å; G106-M109 PolarHBondContact O-N 2.91Å; G106-M110 WeakPolarHBondContact O-CG 3.3Å; G106-M110 PolarHBondContact O-N 3.07Å
107Y98.3Very high96.8Very high1 Ų129.6 Ų29.60%0.00416%0.162CC..Hα-helixtrans-63.7-45.3176.9-76-56.2000112.7L88 V91 L99 Q103 V104 M109 M110 L111 I135 L141 L328 P329L88-Y107 HydrophobicContact CD1-CD1 3.72Å; L88-Y107 HydrophobicContact CD1-CD2 3.87Å; L88-Y107 HydrophobicContact CD1-CE1 3.84Å; L88-Y107 HydrophobicContact CD1-CE2 3.98Å; L88-Y107 HydrophobicContact CD1-CG 3.74Å; V91-Y107 HydrophobicContact CG1-CE2 4.1Å; L99-Y107 HydrophobicContact CD1-CD2 4.08Å; L99-Y107 HydrophobicContact CD1-CE2 4.1Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.12Å; Q103-Y107 PolarHBondContact O-N 3.36Å; V104-Y107 PolarHBondContact O-N 2.78Å; Y107-M109 VanDerWaalsContact C-N 3.34Å; Y107-M109 PolarHBondContact O-N 3.28Å; Y107-M110 HydrophobicContact CD1-CE 3.91Å; Y107-M110 HydrophobicContact CE1-CE 4.33Å; Y107-M110 PolarHBondContact O-N 3.29Å; Y107-L111 WeakPolarHBondContact O-CB 3.42Å; Y107-L111 PolarHBondContact O-N 3.43Å; Y107-I135 HydrophobicContact CE1-CD1 3.92Å; Y107-L141 HydrophobicContact CD1-CB 4.37Å; Y107-L141 HydrophobicContact CD1-CD1 3.73Å; Y107-L141 HydrophobicContact CE1-CD1 4.5Å; Y107-L328 HydrophobicContact CD1-CD1 3.99Å; Y107-L328 HydrophobicContact CD2-CD2 4.4Å; Y107-L328 HydrophobicContact CE1-CB 4.44Å; Y107-L328 HydrophobicContact CE1-CD1 3.78Å; Y107-L328 HydrophobicContact CE2-CB 4.5Å; Y107-L328 HydrophobicContact CE2-CD1 4.48Å; Y107-L328 HydrophobicContact CE2-CD2 4.18Å; Y107-L328 HydrophobicContact CG-CD1 4.43Å; Y107-P329 HydrophobicContact CE2-CG 4.38Å; Y107-P329 PolarHBondContact OH-O 3.25Å
108M98.6Very high97.2Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-61.5-41.4178-77.7-59-61.900112.4V104 M110 L111 L112 V190 F194 L197 F296 F316V104-M108 HydrophobicContact CG1-CG 4.31Å; V104-M108 WeakPolarHBondContact O-CB 3.48Å; V104-M108 WeakPolarHBondContact O-CG 3.22Å; V104-M108 PolarHBondContact O-N 3.13Å; M108-M110 PolarHBondContact O-N 2.81Å; M108-L111 PolarHBondContact O-N 3.28Å; M108-L111 HydrophobicContact SD-CD2 4.24Å; M108-L112 HydrophobicContact CE-CD1 4.43Å; M108-L112 HydrophobicContact CE-CG 4.45Å; M108-L112 WeakPolarHBondContact O-CB 3.38Å; M108-L112 WeakPolarHBondContact O-CG 3.38Å; M108-L112 PolarHBondContact O-N 3.14Å; M108-V190 HydrophobicContact CE-CG1 3.84Å; M108-F194 HydrophobicContact CE-CB 3.61Å; M108-F194 HydrophobicContact CE-CD1 4.2Å; M108-F194 HydrophobicContact CE-CD2 4.05Å; M108-F194 HydrophobicContact CE-CG 3.69Å; M108-F194 HydrophobicContact CG-CD2 3.53Å; M108-F194 HydrophobicContact CG-CE2 3.99Å; M108-F194 HydrophobicContact CG-CG 4.18Å; M108-F194 HydrophobicContact SD-CB 3.58Å; M108-F194 VanDerWaalsContact SD-CB 3.58Å; M108-F194 HydrophobicContact SD-CD2 3.72Å; M108-F194 HydrophobicContact SD-CG 3.82Å; M108-L197 HydrophobicContact CG-CD1 4.11Å; M108-L197 HydrophobicContact SD-CD1 4.02Å; M108-F296 HydrophobicContact CE-CE2 4.46Å; M108-F316 HydrophobicContact CB-CE1 3.94Å; M108-F316 HydrophobicContact CB-CZ 4Å
109M98.7Very high97.4Very high34 Ų3419.8 Ų19.817%0.16711%0.109CC..Hα-helixtrans-59.9-47176.5-179.568.174.300111.4K105 G106 Y107 K113 L311 F316 P322K105-M109 VanDerWaalsContact O-CB 3.23Å; K105-M109 WeakPolarHBondContact O-CB 3.35Å; K105-M109 PolarHBondContact O-N 3.48Å; G106-M109 PolarHBondContact O-N 2.91Å; Y107-M109 VanDerWaalsContact C-N 3.34Å; Y107-M109 PolarHBondContact O-N 3.28Å; M109-K113 HydrophobicContact CG-CD 4.45Å; M109-K113 VanDerWaalsContact O-CG 3.3Å; M109-K113 WeakPolarHBondContact O-CG 3.39Å; M109-K113 PolarHBondContact O-N 3.38Å; M109-L311 HydrophobicContact SD-CD2 3.38Å; M109-L311 WeakPolarHBondContact SD-CD2 3.47Å; M109-F316 HydrophobicContact CB-CD1 4.3Å; M109-F316 HydrophobicContact CB-CE1 4.05Å; M109-F316 HydrophobicContact CE-CB 3.49Å; M109-F316 VanDerWaalsContact CE-CB 3.49Å; M109-F316 HydrophobicContact CE-CD1 3.5Å; M109-F316 VanDerWaalsContact CE-CD1 3.5Å; M109-F316 HydrophobicContact CE-CD2 4.11Å; M109-F316 HydrophobicContact CE-CE1 4.23Å; M109-F316 HydrophobicContact CE-CG 3.42Å; M109-F316 VanDerWaalsContact CE-CG 3.42Å; M109-P322 HydrophobicContact CE-CG 4.28Å
110M98.6Very high97.4Very high12 Ų1225.3 Ų25.36%0.05913%0.134CC..Hα-helixtrans-66.6-42.4178.7-66.7-169.3-73.800112.3H63 G106 Y107 M108 K113 G114 L141 H325 L328H63-M110 VanDerWaalsContact CE1-CG 3.44Å; H63-M110 WeakPolarHBondContact CE1-CG 3.36Å; G106-M110 WeakPolarHBondContact O-CG 3.3Å; G106-M110 PolarHBondContact O-N 3.07Å; Y107-M110 HydrophobicContact CD1-CE 3.91Å; Y107-M110 HydrophobicContact CE1-CE 4.33Å; Y107-M110 PolarHBondContact O-N 3.29Å; M108-M110 PolarHBondContact O-N 2.81Å; M110-K113 PolarHBondContact O-N 3.22Å; M110-G114 PolarHBondContact O-N 3.38Å; M110-L141 HydrophobicContact CB-CB 3.94Å; M110-L141 HydrophobicContact CB-CD2 4.36Å; M110-L141 HydrophobicContact CE-CB 3.67Å; M110-L141 HydrophobicContact SD-CB 4.05Å; M110-L141 PolarHBondContact SD-N 3.03Å; M110-L141 VanDerWaalsContact SD-N 3.38Å; M110-H325 HydrophobicContact SD-CB 4.17Å; M110-L328 HydrophobicContact CE-CD1 3.25Å
111L98.8Very high97.1Very high1 Ų125.3 Ų25.31%0.00513%0.132CC..Hα-helixtrans-58-50.7175.3172.258000111.1Y107 M108 K113 G114 V115 L133 L141 V143 V190 I193Y107-L111 WeakPolarHBondContact O-CB 3.42Å; Y107-L111 PolarHBondContact O-N 3.43Å; M108-L111 PolarHBondContact O-N 3.28Å; M108-L111 HydrophobicContact SD-CD2 4.24Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 2.81Å; L111-G114 PolarHBondContact O-N 2.91Å; L111-V115 HydrophobicContact CD1-CG2 3.88Å; L111-V115 HydrophobicContact CG-CG2 4.48Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.03Å; L111-L133 HydrophobicContact CD1-CD1 3.86Å; L111-L133 HydrophobicContact CD1-CD2 3.58Å; L111-L133 HydrophobicContact CD1-CG 4.39Å; L111-L133 HydrophobicContact CD2-CD1 4.03Å; L111-L133 HydrophobicContact CG-CD1 4.45Å; L111-L141 HydrophobicContact CB-CD2 4.4Å; L111-V143 HydrophobicContact CD1-CG2 4.22Å; L111-V190 HydrophobicContact CD2-CG1 4.29Å; L111-V190 HydrophobicContact CD2-CG2 4.23Å; L111-V190 HydrophobicContact CG-CG2 4.32Å; L111-I193 HydrophobicContact CD2-CB 4.41Å; L111-I193 HydrophobicContact CD2-CD1 4.29Å; L111-I193 HydrophobicContact CD2-CG2 3.97Å
112L98.8Very high96.7Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-63.8-38-179.4-70.5171.2000112.3M108 V115 A116 V190 F296 A307 A310 L311 F316M108-L112 HydrophobicContact CE-CD1 4.43Å; M108-L112 HydrophobicContact CE-CG 4.45Å; M108-L112 WeakPolarHBondContact O-CB 3.38Å; M108-L112 WeakPolarHBondContact O-CG 3.38Å; M108-L112 PolarHBondContact O-N 3.14Å; L112-V115 PolarHBondContact O-N 3.43Å; L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 3.18Å; L112-V190 HydrophobicContact CD2-CG1 3.8Å; L112-F296 HydrophobicContact CD2-CE1 4.41Å; L112-F296 HydrophobicContact CD2-CZ 3.73Å; L112-A307 HydrophobicContact CD2-CB 4.14Å; L112-A310 HydrophobicContact CD1-CB 3.75Å; L112-A310 HydrophobicContact CD2-CB 3.92Å; L112-A310 HydrophobicContact CG-CB 4.47Å; L112-L311 HydrophobicContact CB-CD2 3.61Å; L112-L311 HydrophobicContact CB-CG 3.89Å; L112-L311 HydrophobicContact CD1-CD2 4.42Å; L112-F316 HydrophobicContact CD1-CE2 3.66Å; L112-F316 HydrophobicContact CD1-CZ 3.52Å
113K98.8Very high96.2Very high92 Ų9226.8 Ų26.840%0.414%0.14SC..Hα-helixtrans-61.6-43.7173-74.5175.6178.5-1780111.9H63 M109 M110 L111 F117 L311H63-K113 HydrophobicContact CB-CB 4.47Å; H63-K113 VanDerWaalsContact CD2-CB 3.42Å; H63-K113 WeakPolarHBondContact CD2-CB 3.46Å; H63-K113 WeakPolarHBondContact NE2-CD 3.23Å; M109-K113 HydrophobicContact CG-CD 4.45Å; M109-K113 VanDerWaalsContact O-CG 3.3Å; M109-K113 WeakPolarHBondContact O-CG 3.39Å; M109-K113 PolarHBondContact O-N 3.38Å; M110-K113 PolarHBondContact O-N 3.22Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 2.81Å; K113-F117 WeakPolarHBondContact O-CB 3.33Å; K113-F117 PolarHBondContact O-N 2.82Å; K113-L311 HydrophobicContact CG-CD1 4.1Å; K113-L311 HydrophobicContact CG-CD2 3.8Å
114G98.3Very high95.7Very high0 Ų026.9 Ų26.90%014%0.141CC..Hα-helixtrans-63.8-46.3176.500000112.5M110 L111 F117 L118M110-G114 PolarHBondContact O-N 3.38Å; L111-G114 PolarHBondContact O-N 2.91Å; G114-F117 PolarHBondContact O-N 2.8Å; G114-L118 WeakPolarHBondContact O-CG 3.16Å; G114-L118 PolarHBondContact O-N 3.34Å
115V98.2Very high95.3Very high1 Ų126.8 Ų26.81%0.00614%0.141CC..Hα-helixtrans-64.9-42.9177.9174.60000111.4L111 L112 F117 L118 H119 L128 L187 V190 A307L111-V115 HydrophobicContact CD1-CG2 3.88Å; L111-V115 HydrophobicContact CG-CG2 4.48Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.03Å; L112-V115 PolarHBondContact O-N 3.43Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.84Å; V115-L118 PolarHBondContact O-N 3.46Å; V115-H119 WeakPolarHBondContact CG1-CE1 2.81Å; V115-H119 PolarHBondContact O-N 2.88Å; V115-L128 HydrophobicContact CG2-CD1 3.78Å; V115-L187 HydrophobicContact CG1-CD2 4.45Å; V115-V190 HydrophobicContact CG2-CG2 4.06Å; V115-A307 HydrophobicContact CB-CB 4.11Å; V115-A307 HydrophobicContact CG1-CB 3.88Å
116A98.4Very high94.8Very high6 Ų629.3 Ų29.35%0.0515%0.15CC..Hα-helixtrans-59-42.5175.700000111.6L112 H119 Q120 A307 L311L112-A116 WeakPolarHBondContact O-CB 3.39Å; L112-A116 PolarHBondContact O-N 3.18Å; A116-H119 PolarHBondContact O-N 3.01Å; A116-Q120 WeakPolarHBondContact O-CB 2.86Å; A116-Q120 WeakPolarHBondContact O-CG 3.09Å; A116-Q120 PolarHBondContact O-N 3.09Å; A116-A307 HydrophobicContact CB-CB 3.87Å; A116-L311 HydrophobicContact CB-CD1 4.31Å
117F97.3Very high94.3Very high20 Ų2030.9 Ų30.99%0.08816%0.158CC..Hα-helixtrans-62.4-43.6175.6175.8-97.1000112.3I58 E59 N61 V64 K113 G114 V115 N121I58-F117 HydrophobicContact CG2-CE1 3.46Å; I58-F117 VanDerWaalsContact CG2-CE1 3.46Å; I58-F117 HydrophobicContact CG2-CZ 3.51Å; E59-F117 HydrophobicContact CB-CE2 4.46Å; E59-F117 HydrophobicContact CB-CZ 4.3Å; E59-F117 VanDerWaalsContact O-CZ 3.28Å; E59-F117 WeakPolarHBondContact O-CZ 3.35Å; N61-F117 HydrophobicContact CB-CD1 3.84Å; N61-F117 HydrophobicContact CB-CD2 4.12Å; N61-F117 HydrophobicContact CB-CE1 3.7Å; N61-F117 HydrophobicContact CB-CE2 4Å; N61-F117 HydrophobicContact CB-CG 4.03Å; N61-F117 HydrophobicContact CB-CZ 3.78Å; N61-F117 WeakPolarHBondContact ND2-CD2 3.47Å; N61-F117 VanDerWaalsContact ND2-CG 3.34Å; N61-F117 WeakPolarHBondContact ND2-CG 3.31Å; V64-F117 HydrophobicContact CB-CD1 4.25Å; V64-F117 HydrophobicContact CB-CE1 4.47Å; V64-F117 HydrophobicContact CG2-CD1 3.71Å; V64-F117 HydrophobicContact CG2-CE1 4.41Å; K113-F117 WeakPolarHBondContact O-CB 3.33Å; K113-F117 PolarHBondContact O-N 2.82Å; G114-F117 PolarHBondContact O-N 2.8Å; V115-F117 VanDerWaalsContact C-N 3.3Å; V115-F117 PolarHBondContact O-N 2.84Å; F117-N121 PolarHBondContact O-N 3.38Å; F117-N121 PolarHBondContact O-ND2 2.93Å
118L94.3Very high94Very high1 Ų131 Ų311%0.00516%0.158CC..Hα-helixtrans-61.9-48176.4-68.8177.5000111.7V64 G114 V115 Q120 N121 S122 I123 H125 V143 F146V64-L118 HydrophobicContact CG1-CD2 3.95Å; V64-L118 HydrophobicContact CG2-CD2 4.25Å; V64-L118 HydrophobicContact CG2-CG 4.14Å; G114-L118 WeakPolarHBondContact O-CG 3.16Å; G114-L118 PolarHBondContact O-N 3.34Å; V115-L118 PolarHBondContact O-N 3.46Å; L118-Q120 PolarHBondContact O-N 2.98Å; L118-N121 CarbonylContact O-C 3.45Å; L118-N121 WeakPolarHBondContact O-CA 3.16Å; L118-N121 PolarHBondContact O-N 3.16Å; L118-N121 VanDerWaalsContact O-N 3.11Å; L118-S122 PolarHBondContact O-N 3.48Å; L118-I123 CarbonylContact C-O 3.42Å; L118-I123 HydrophobicContact CB-CB 4.33Å; L118-I123 WeakPolarHBondContact CB-O 3.43Å; L118-I123 HydrophobicContact CD2-CB 4.35Å; L118-I123 HydrophobicContact CD2-CG2 4.08Å; L118-I123 WeakPolarHBondContact O-CB 3.4Å; L118-I123 PolarHBondContact O-N 2.89Å; L118-H125 HydrophobicContact CD1-CB 4.44Å; L118-V143 HydrophobicContact CD1-CB 4.49Å; L118-V143 HydrophobicContact CD1-CG1 3.89Å; L118-F146 HydrophobicContact CD1-CB 3.99Å; L118-F146 HydrophobicContact CD1-CG 4.26Å; L118-F146 HydrophobicContact CD2-CB 4.26Å; L118-F146 HydrophobicContact CD2-CD1 4.37Å; L118-F146 HydrophobicContact CD2-CD2 3.51Å; L118-F146 HydrophobicContact CD2-CE2 3.85Å; L118-F146 HydrophobicContact CD2-CG 3.79Å; L118-F146 HydrophobicContact CD2-CZ 4.45Å
119H93.8Very high93.8Very high19 Ų1932.6 Ų32.69%0.08817%0.165CC..Hα-helixtrans-63.9-40.2179.5-67.9174.3000112.2V115 A116 N121 S122 I123 E183 D186V115-H119 WeakPolarHBondContact CG1-CE1 2.81Å; V115-H119 PolarHBondContact O-N 2.88Å; A116-H119 PolarHBondContact O-N 3.01Å; H119-N121 PolarHBondContact O-N 2.99Å; H119-S122 WeakPolarHBondContact O-CA 3.22Å; H119-S122 PolarHBondContact O-N 2.91Å; H119-I123 PolarHBondContact CD2-O 2.55Å; H119-E183 HydrophobicContact CB-CG 4.5Å; H119-E183 IonicContact CG-OE1 2.66Å; H119-E183 IonicContact CG-OE2 3.31Å; H119-E183 IonicContact ND1-OE2 3.64Å; H119-D186 IonicContact CD2-OD2 3.81Å; H119-D186 IonicContact CE1-OD2 3.94Å; H119-D186 IonicContact NE2-OD2 3.61Å; H119-D186 PolarHBondContact NE2-OD2 3.14Å
120Q94.3Very high93.7Very high133 Ų13331 Ų3162%0.62116%0.157SC*.Hα-helixtrans-60.5-30.9173.5-74.2166.615.600112.9A116 L118 S122A116-Q120 WeakPolarHBondContact O-CB 2.86Å; A116-Q120 WeakPolarHBondContact O-CG 3.09Å; A116-Q120 PolarHBondContact O-N 3.09Å; L118-Q120 PolarHBondContact O-N 2.98Å; Q120-S122 VanDerWaalsContact C-N 3.29Å
121N89.8Confident93.3Very high68 Ų6832.3 Ų32.336%0.36417%0.17SC..THydrogen-bonded Turntrans-89.213.8174.1-73.8-82.8000113.2F117 L118 H119 I123F117-N121 PolarHBondContact O-N 3.38Å; F117-N121 PolarHBondContact O-ND2 2.93Å; L118-N121 CarbonylContact O-C 3.45Å; L118-N121 WeakPolarHBondContact O-CA 3.16Å; L118-N121 PolarHBondContact O-N 3.16Å; L118-N121 VanDerWaalsContact O-N 3.11Å; H119-N121 PolarHBondContact O-N 2.99Å; N121-I123 VanDerWaalsContact C-N 3.25Å; N121-I123 HydrophobicContact CB-CD1 4.07Å; N121-I123 HydrophobicContact CB-CG1 4.46Å; N121-I123 PolarHBondContact O-N 3.44Å
122S87.2Confident93.1Very high100 Ų10032.8 Ų32.870%0.69917%0.173SC*.THydrogen-bonded Turntrans59.231.7-178.5-56.70000114.2L118 H119 Q120L118-S122 PolarHBondContact O-N 3.48Å; H119-S122 WeakPolarHBondContact O-CA 3.22Å; H119-S122 PolarHBondContact O-N 2.91Å; Q120-S122 VanDerWaalsContact C-N 3.29Å
123I86.6Confident92.9Very high27 Ų2732.8 Ų32.814%0.13817%0.173CC..  trans-110114.7179.5-62.9164.3000109.5I58 L118 H119 N121 F146I58-I123 HydrophobicContact CD1-CD1 3.21Å; I58-I123 HydrophobicContact CG1-CD1 4.14Å; L118-I123 CarbonylContact C-O 3.42Å; L118-I123 HydrophobicContact CB-CB 4.33Å; L118-I123 WeakPolarHBondContact CB-O 3.43Å; L118-I123 HydrophobicContact CD2-CB 4.35Å; L118-I123 HydrophobicContact CD2-CG2 4.08Å; L118-I123 WeakPolarHBondContact O-CB 3.4Å; L118-I123 PolarHBondContact O-N 2.89Å; H119-I123 PolarHBondContact CD2-O 2.55Å; N121-I123 VanDerWaalsContact C-N 3.25Å; N121-I123 HydrophobicContact CB-CD1 4.07Å; N121-I123 HydrophobicContact CB-CG1 4.46Å; N121-I123 PolarHBondContact O-N 3.44Å; I123-F146 HydrophobicContact CG2-CD2 4.12Å
124M86.5Confident92.8Very high42 Ų4230.5 Ų30.521%0.20716%0.164CC..  trans-87.4134.4166-70.5177.2-93.600110.3R126 Y181 D182 E183 D186M124-R126 HydrophobicContact CB-CG 3.95Å; M124-Y181 HydrophobicContact SD-CD2 4.36Å; M124-D182 VanDerWaalsContact SD-C 3.5Å; M124-E183 HydrophobicContact CG-CB 4.44Å; M124-E183 HydrophobicContact CG-CG 3.71Å; M124-E183 HydrophobicContact SD-CG 4.46Å; M124-D186 WeakPolarHBondContact CA-OD2 3.47Å
125H90Very high92.6Very high1 Ų130.5 Ų30.51%0.00516%0.164CC..  trans-75.4-50.1-179.5-173.2-72000112.5L118 D127 L128 V143 A144 D186L118-H125 HydrophobicContact CD1-CB 4.44Å; H125-D127 PolarHBondContact CE1-O 3.39Å; H125-D127 PolarHBondContact ND1-N 2.73Å; H125-D127 VanDerWaalsContact ND1-N 3.15Å; H125-D127 PolarHBondContact O-N 2.8Å; H125-D127 VanDerWaalsContact O-N 3.12Å; H125-L128 HydrophobicContact CB-CD1 4.34Å; H125-L128 HydrophobicContact CB-CD2 4.12Å; H125-L128 HydrophobicContact CB-CG 3.8Å; H125-L128 PolarHBondContact ND1-N 3.47Å; H125-V143 WeakPolarHBondContact CD2-CG1 3.22Å; H125-A144 PolarHBondContact NE2-O 3.35Å; H125-D186 PolarHBondContact N-OD1 3.48Å; H125-D186 PolarHBondContact N-OD2 2.8Å
126R87.6Confident92.4Very high53 Ų5331.3 Ų31.320%0.217%0.17CC..SBendtrans69-9.1176.2-50.2174.5-179.4-179-3.6117.4M124 Y181 D186M124-R126 HydrophobicContact CB-CG 3.95Å; R126-Y181 HydrophobicContact CG-CE2 4.44Å; R126-D186 WeakPolarHBondContact CA-OD1 3.33Å; R126-D186 PolarHBondContact N-OD1 3.48Å
127D87.1Confident92Very high38 Ų3835.7 Ų35.720%0.20320%0.2CC..  trans-135.340.4174.9-168.645.4000112.1H125 K129 N132H125-D127 PolarHBondContact CE1-O 3.39Å; H125-D127 PolarHBondContact ND1-N 2.73Å; H125-D127 VanDerWaalsContact ND1-N 3.15Å; H125-D127 PolarHBondContact O-N 2.8Å; H125-D127 VanDerWaalsContact O-N 3.12Å; D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 IonicContact OD1-NZ 2.97Å; D127-K129 PolarHBondContact OD1-NZ 3.15Å; D127-K129 IonicContact OD2-NZ 3.28Å; D127-K129 PolarHBondContact OD2-NZ 3.12Å; D127-N132 PolarHBondContact O-ND2 3.38Å; D127-N132 PolarHBondContact OD2-ND2 3.3Å
128L93.3Very high91.7Very high3 Ų337.3 Ų37.32%0.01621%0.214CC..  trans-67.2129.4178.2-78.6175.2000109.9V115 H125 L133 V143 Y169 D186 A189 V190 I193V115-L128 HydrophobicContact CG2-CD1 3.78Å; H125-L128 HydrophobicContact CB-CD1 4.34Å; H125-L128 HydrophobicContact CB-CD2 4.12Å; H125-L128 HydrophobicContact CB-CG 3.8Å; H125-L128 PolarHBondContact ND1-N 3.47Å; L128-L133 HydrophobicContact CD2-CD2 4.2Å; L128-V143 HydrophobicContact CD2-CG1 3.85Å; L128-Y169 VanDerWaalsContact O-CB 3.31Å; L128-Y169 WeakPolarHBondContact O-CB 3.48Å; L128-D186 HydrophobicContact CD1-CB 3.79Å; L128-A189 HydrophobicContact CB-CB 3.66Å; L128-V190 HydrophobicContact CD1-CG2 3.94Å; L128-I193 HydrophobicContact CB-CD1 4.24Å
129K93.9Very high91.6Very high33 Ų3337.2 Ų37.214%0.14321%0.213CC..  trans-164.5159.4177.162.3-167.2-179.3-142.70109.1D127 A131 N132 Y169D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 IonicContact OD1-NZ 2.97Å; D127-K129 PolarHBondContact OD1-NZ 3.15Å; D127-K129 IonicContact OD2-NZ 3.28Å; D127-K129 PolarHBondContact OD2-NZ 3.12Å; K129-A131 HydrophobicContact CG-CB 4.34Å; K129-A131 PolarHBondContact O-N 3.18Å; K129-A131 VanDerWaalsContact O-N 3.09Å; K129-N132 WeakPolarHBondContact CE-ND2 3.3Å; K129-N132 HydrophobicContact CG-CB 4.2Å; K129-N132 PolarHBondContact O-N 3.13Å; K129-Y169 HydrophobicContact CB-CD2 3.47Å; K129-Y169 VanDerWaalsContact CB-CD2 3.47Å; K129-Y169 HydrophobicContact CB-CE2 3.51Å; K129-Y169 HydrophobicContact CB-CG 4.09Å
130P95.2Very high91.7Very high1 Ų137.4 Ų37.41%0.00621%0.214CC..G310 helixtrans-54.2-34.2-177.5-27.435.8000114.2L88 S89 I92 N132 L133 Y169 I193 E196L88-P130 HydrophobicContact CB-CB 4.11Å; L88-P130 HydrophobicContact CD2-CB 4.45Å; L88-P130 HydrophobicContact CG-CB 4.36Å; L88-P130 PolarHBondContact N-O 3.1Å; S89-P130 PolarHBondContact N-O 2.81Å; I92-P130 HydrophobicContact CD1-CB 4.16Å; I92-P130 HydrophobicContact CD1-CG 4.2Å; P130-N132 PolarHBondContact O-N 2.82Å; P130-L133 PolarHBondContact O-N 2.8Å; P130-L133 VanDerWaalsContact O-N 3.12Å; P130-Y169 VanDerWaalsContact CD-CE1 3.49Å; P130-Y169 WeakPolarHBondContact CD-OH 3.38Å; P130-Y169 HydrophobicContact CG-CE1 4.14Å; P130-Y169 WeakPolarHBondContact CG-OH 3.39Å; P130-I193 HydrophobicContact CG-CG1 4.31Å; P130-E196 WeakPolarHBondContact CG-OE2 3.04Å
131A91.6Very high91.8Very high40 Ų4031.1 Ų31.133%0.33119%0.185SC..G310 helixtrans-68.3-19.7178.400000114.1K129K129-A131 HydrophobicContact CG-CB 4.34Å; K129-A131 PolarHBondContact O-N 3.18Å; K129-A131 VanDerWaalsContact O-N 3.09Å
132N93.5Very high92.2Very high11 Ų1129 Ų296%0.05917%0.172CC..G310 helixtrans-96.95.5175.9-69.3-9000112.1D127 K129 P130 A144D127-N132 PolarHBondContact O-ND2 3.38Å; D127-N132 PolarHBondContact OD2-ND2 3.3Å; K129-N132 WeakPolarHBondContact CE-ND2 3.3Å; K129-N132 HydrophobicContact CG-CB 4.2Å; K129-N132 PolarHBondContact O-N 3.13Å; P130-N132 PolarHBondContact O-N 2.82Å; N132-A144 PolarHBondContact O-N 3.05Å
133L96Very high92.6Very high0 Ų024.2 Ų24.20%014%0.139CC..EExtended strand (participates in β ladder)trans-106.487.8176.3-57.1-178.2000108.3D87 L88 L111 L128 P130 L141 V143 I193D87-L133 CarbonylContact C-O 3.33Å; D87-L133 WeakPolarHBondContact CA-O 3.5Å; L88-L133 HydrophobicContact CB-CB 3.93Å; L88-L133 HydrophobicContact CD2-CB 4.41Å; L88-L133 HydrophobicContact CD2-CD1 3.65Å; L88-L133 PolarHBondContact N-O 2.62Å; L111-L133 HydrophobicContact CD1-CD1 3.86Å; L111-L133 HydrophobicContact CD1-CD2 3.58Å; L111-L133 HydrophobicContact CD1-CG 4.39Å; L111-L133 HydrophobicContact CD2-CD1 4.03Å; L111-L133 HydrophobicContact CG-CD1 4.45Å; L128-L133 HydrophobicContact CD2-CD2 4.2Å; P130-L133 PolarHBondContact O-N 2.8Å; P130-L133 VanDerWaalsContact O-N 3.12Å; L133-L141 HydrophobicContact CB-CD1 4.01Å; L133-L141 HydrophobicContact CB-CD2 4.3Å; L133-L141 HydrophobicContact CB-CG 4.12Å; L133-L141 HydrophobicContact CD1-CD1 4.36Å; L133-L141 HydrophobicContact CD2-CD2 4.32Å; L133-V143 HydrophobicContact CD2-CB 4.46Å; L133-V143 HydrophobicContact CD2-CG1 4.44Å; L133-V143 HydrophobicContact CD2-CG2 3.98Å; L133-I193 HydrophobicContact CD1-CD1 3.96Å; L133-I193 HydrophobicContact CD1-CG2 4.16Å
134L95Very high92.9Very high43 Ų4323.1 Ų23.123%0.22513%0.134CC..EExtended strand (participates in β ladder)trans-79.5151.8-172.3-55.5-175.2000111.4V65 M84 S86 D87 L141 K142 A144V65-L134 HydrophobicContact CG2-CD1 4.27Å; M84-L134 HydrophobicContact CB-CB 3.69Å; M84-L134 HydrophobicContact CB-CD1 4.03Å; M84-L134 HydrophobicContact CB-CG 4.4Å; M84-L134 HydrophobicContact CG-CB 3.57Å; M84-L134 HydrophobicContact CG-CD1 3.67Å; M84-L134 HydrophobicContact CG-CG 4.27Å; S86-L134 WeakPolarHBondContact O-CA 3.34Å; D87-L134 HydrophobicContact CB-CD2 3.89Å; L134-L141 CarbonylContact O-C 3.5Å; L134-L141 VanDerWaalsContact O-CA 3.32Å; L134-L141 WeakPolarHBondContact O-CA 3.04Å; L134-K142 PolarHBondContact N-O 3.25Å; L134-K142 PolarHBondContact O-N 3.4Å; L134-A144 HydrophobicContact CD1-CB 3.47Å; L134-A144 VanDerWaalsContact CD1-CB 3.47Å; L134-A144 HydrophobicContact CG-CB 3.61Å
135I95.1Very high92.8Very high0 Ų023.2 Ų23.20%014%0.135CC..EExtended strand (participates in β ladder)trans-122124.7-175.2-61.9173.1000109.7L85 S86 V91 Y107 H140L85-I135 PolarHBondContact N-O 2.89Å; S86-I135 PolarHBondContact N-O 3.25Å; S86-I135 PolarHBondContact O-N 2.81Å; V91-I135 HydrophobicContact CB-CD1 4.47Å; V91-I135 HydrophobicContact CG2-CD1 3.3Å; Y107-I135 HydrophobicContact CE1-CD1 3.92Å; I135-H140 WeakPolarHBondContact CA-O 3.32Å
136T93.4Very high92.1Very high19 Ų1924 Ų2412%0.11714%0.138CC..  trans-72.6165174.466.80000111.3M84 S138 G139 H140 K142M84-T136 HydrophobicContact CE-CG2 4.42Å; M84-T136 HydrophobicContact SD-CG2 3.56Å; M84-T136 VanDerWaalsContact SD-CG2 3.56Å; T136-S138 PolarHBondContact O-N 2.82Å; T136-S138 VanDerWaalsContact O-N 3.11Å; T136-S138 PolarHBondContact OG1-N 2.69Å; T136-S138 PolarHBondContact OG1-OG 3.19Å; T136-G139 PolarHBondContact O-N 3.23Å; T136-G139 PolarHBondContact OG1-N 2.91Å; T136-H140 HydrophobicContact CG2-CB 4.06Å; T136-H140 PolarHBondContact N-O 2.89Å; T136-H140 WeakPolarHBondContact OG1-CB 3.29Å; T136-H140 PolarHBondContact OG1-N 3Å; T136-H140 PolarHBondContact OG1-O 3.3Å; T136-K142 HydrophobicContact CG2-CD 4.19Å
137S90.8Very high90.8Very high97 Ų9721.9 Ų21.968%0.67813%0.134SC*.THydrogen-bonded Turntrans-62.9-13.717254.90000114.6I330S137-I330 VanDerWaalsContact O-CD1 3.28Å; S137-I330 WeakPolarHBondContact O-CD1 3.36Å
138S91.3Very high89.6Confident54 Ų5420.5 Ų20.538%0.37813%0.126SC..THydrogen-bonded Turntrans-97.24.8174.560.90000113.4T136 H140 H325T136-S138 PolarHBondContact O-N 2.82Å; T136-S138 VanDerWaalsContact O-N 3.11Å; T136-S138 PolarHBondContact OG1-N 2.69Å; T136-S138 PolarHBondContact OG1-OG 3.19Å; S138-H140 VanDerWaalsContact C-N 3.34Å; S138-H140 PolarHBondContact OG-ND1 2.99Å; S138-H325 PolarHBondContact O-ND1 2.8Å
139G92.3Very high87.7Confident0 Ų020.5 Ų20.50%013%0.127CC..SBendtrans83.53.517800000114.9T136 L141 H325T136-G139 PolarHBondContact O-N 3.23Å; T136-G139 PolarHBondContact OG1-N 2.91Å; G139-L141 PolarHBondContact O-N 3.01Å; G139-H325 WeakPolarHBondContact CA-O 3.42Å
140H95.1Very high85.9Confident23 Ų2325.1 Ų25.111%0.10614%0.143CC..  trans-68.9131.2171.3-69.193.3000111.6Q62 I135 T136 S138 H325Q62-H140 PolarHBondContact NE2-CD2 2.94Å; Q62-H140 PolarHBondContact NE2-NE2 3.19Å; I135-H140 WeakPolarHBondContact CA-O 3.32Å; T136-H140 HydrophobicContact CG2-CB 4.06Å; T136-H140 PolarHBondContact N-O 2.89Å; T136-H140 WeakPolarHBondContact OG1-CB 3.29Å; T136-H140 PolarHBondContact OG1-N 3Å; T136-H140 PolarHBondContact OG1-O 3.3Å; S138-H140 VanDerWaalsContact C-N 3.34Å; S138-H140 PolarHBondContact OG-ND1 2.99Å; H140-H325 AromaticContact CD2-CD2 3.99Å; H140-H325 AromaticContact CD2-CG 3.9Å; H140-H325 AromaticContact CE1-CD2 3.54Å; H140-H325 AromaticContact CE1-CE1 3.13Å; H140-H325 PolarHBondContact CE1-CE1 3.48Å; H140-H325 AromaticContact CE1-CG 3.58Å; H140-H325 AromaticContact CE1-ND1 3.32Å; H140-H325 PolarHBondContact CE1-ND1 3.18Å; H140-H325 VanDerWaalsContact CE1-ND1 3.32Å; H140-H325 AromaticContact CE1-NE2 3.25Å; H140-H325 PolarHBondContact CE1-NE2 2.9Å; H140-H325 VanDerWaalsContact CE1-NE2 3.25Å; H140-H325 AromaticContact ND1-CE1 3.82Å; H140-H325 AromaticContact ND1-CG 3.99Å; H140-H325 AromaticContact ND1-ND1 3.62Å; H140-H325 AromaticContact NE2-CD2 3.25Å; H140-H325 PolarHBondContact NE2-CD2 2.73Å; H140-H325 AromaticContact NE2-CE1 3.69Å; H140-H325 AromaticContact NE2-CG 3.52Å; H140-H325 AromaticContact NE2-ND1 3.77Å; H140-H325 AromaticContact NE2-NE2 3.36Å; H140-H325 PolarHBondContact NE2-NE2 3.46Å
141L97.4Very high84.1Confident1 Ų126.1 Ų26.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-84.5131.7167.6-178.2157000110H63 L88 Y107 M110 L111 L133 L134 G139H63-L141 WeakPolarHBondContact CA-O 3.44Å; H63-L141 PolarHBondContact ND1-O 3.02Å; L88-L141 HydrophobicContact CD2-CD1 4.3Å; Y107-L141 HydrophobicContact CD1-CB 4.37Å; Y107-L141 HydrophobicContact CD1-CD1 3.73Å; Y107-L141 HydrophobicContact CE1-CD1 4.5Å; M110-L141 HydrophobicContact CB-CB 3.94Å; M110-L141 HydrophobicContact CB-CD2 4.36Å; M110-L141 HydrophobicContact CE-CB 3.67Å; M110-L141 HydrophobicContact SD-CB 4.05Å; M110-L141 PolarHBondContact SD-N 3.03Å; M110-L141 VanDerWaalsContact SD-N 3.38Å; L111-L141 HydrophobicContact CB-CD2 4.4Å; L133-L141 HydrophobicContact CB-CD1 4.01Å; L133-L141 HydrophobicContact CB-CD2 4.3Å; L133-L141 HydrophobicContact CB-CG 4.12Å; L133-L141 HydrophobicContact CD1-CD1 4.36Å; L133-L141 HydrophobicContact CD2-CD2 4.32Å; L134-L141 CarbonylContact O-C 3.5Å; L134-L141 VanDerWaalsContact O-CA 3.32Å; L134-L141 WeakPolarHBondContact O-CA 3.04Å; G139-L141 PolarHBondContact O-N 3.01Å
142K97.1Very high82.2Confident23 Ų2326.9 Ų26.910%0.114%0.144CC..EExtended strand (participates in β ladder)trans-126.5129.3173.7-76.3177.8170-97.80110.9N61 Q62 H63 V64 V65 M84 L134 T136 A144N61-K142 PolarHBondContact O-NZ 2.81Å; Q62-K142 VanDerWaalsContact O-CE 3.27Å; Q62-K142 WeakPolarHBondContact O-CE 3.23Å; Q62-K142 VanDerWaalsContact O-CG 3.23Å; Q62-K142 WeakPolarHBondContact O-CG 3.38Å; H63-K142 CarbonylContact O-C 3.43Å; H63-K142 WeakPolarHBondContact O-CA 3.35Å; V64-K142 PolarHBondContact O-NZ 3.41Å; V64-K142 VanDerWaalsContact O-NZ 3.12Å; V65-K142 HydrophobicContact CG2-CB 3.79Å; M84-K142 HydrophobicContact CE-CD 3.59Å; M84-K142 HydrophobicContact SD-CD 4.24Å; L134-K142 PolarHBondContact N-O 3.25Å; L134-K142 PolarHBondContact O-N 3.4Å; T136-K142 HydrophobicContact CG2-CD 4.19Å; K142-A144 PolarHBondContact O-N 2.81Å
143V96.4Very high80Confident0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-70.4125.4172.9-176.10000109.3H63 V64 V65 L111 L118 H125 L128 L133H63-V143 PolarHBondContact O-N 3.05Å; V64-V143 HydrophobicContact CG2-CB 4.46Å; V65-V143 PolarHBondContact N-O 3.23Å; L111-V143 HydrophobicContact CD1-CG2 4.22Å; L118-V143 HydrophobicContact CD1-CB 4.49Å; L118-V143 HydrophobicContact CD1-CG1 3.89Å; H125-V143 WeakPolarHBondContact CD2-CG1 3.22Å; L128-V143 HydrophobicContact CD2-CG1 3.85Å; L133-V143 HydrophobicContact CD2-CB 4.46Å; L133-V143 HydrophobicContact CD2-CG1 4.44Å; L133-V143 HydrophobicContact CD2-CG2 3.98Å
144A92Very high77.5Confident4 Ų433.1 Ų33.13%0.03318%0.18CC..  trans-121168.3-178.300000111.5V65 H125 N132 L134 K142 F146V65-A144 HydrophobicContact CB-CB 4.33Å; V65-A144 HydrophobicContact CG2-CB 3.64Å; H125-A144 PolarHBondContact NE2-O 3.35Å; N132-A144 PolarHBondContact O-N 3.05Å; L134-A144 HydrophobicContact CD1-CB 3.47Å; L134-A144 VanDerWaalsContact CD1-CB 3.47Å; L134-A144 HydrophobicContact CG-CB 3.61Å; K142-A144 PolarHBondContact O-N 2.81Å; A144-F146 PolarHBondContact O-N 3.48Å; A144-F146 VanDerWaalsContact O-N 3.17Å
145D84.8Confident75Confident44 Ų4438.3 Ų38.324%0.23520%0.203CC..SBendtrans62.118.4176.9-71.6-10.6000115.9K33K33-D145 IonicContact NZ-OD1 2.75Å; K33-D145 PolarHBondContact NZ-OD1 3.32Å; K33-D145 IonicContact NZ-OD2 3.14Å; K33-D145 PolarHBondContact NZ-OD2 3.45Å
146F74.9Confident72.3Confident16 Ų1649.1 Ų49.17%0.0724%0.243CC..THydrogen-bonded Turntrans-72.4148.5168.166.1-82.3000111.4L55 I58 V64 V65 L118 I123 A144 L148L55-F146 HydrophobicContact CD2-CD2 3.83Å; L55-F146 HydrophobicContact CD2-CE2 3.63Å; I58-F146 HydrophobicContact CD1-CE2 3.98Å; V64-F146 HydrophobicContact CG1-CD1 3.82Å; V64-F146 HydrophobicContact CG1-CE1 3.14Å; V64-F146 HydrophobicContact CG1-CE2 4.03Å; V64-F146 HydrophobicContact CG1-CZ 3.26Å; V65-F146 VanDerWaalsContact O-CE1 3.26Å; V65-F146 WeakPolarHBondContact O-CE1 3.37Å; V65-F146 VanDerWaalsContact O-CZ 3.28Å; V65-F146 WeakPolarHBondContact O-CZ 3.23Å; L118-F146 HydrophobicContact CD1-CB 3.99Å; L118-F146 HydrophobicContact CD1-CG 4.26Å; L118-F146 HydrophobicContact CD2-CB 4.26Å; L118-F146 HydrophobicContact CD2-CD1 4.37Å; L118-F146 HydrophobicContact CD2-CD2 3.51Å; L118-F146 HydrophobicContact CD2-CE2 3.85Å; L118-F146 HydrophobicContact CD2-CG 3.79Å; L118-F146 HydrophobicContact CD2-CZ 4.45Å; I123-F146 HydrophobicContact CG2-CD2 4.12Å; A144-F146 PolarHBondContact O-N 3.48Å; A144-F146 VanDerWaalsContact O-N 3.17Å; F146-L148 PolarHBondContact O-N 2.9Å
147G61.3Low69.7Low10 Ų1055.5 Ų55.510%0.10327%0.272CS..THydrogen-bonded Turntrans73.2-33.3175.600000115.6A149 R150 L151G147-A149 PolarHBondContact O-N 2.9Å; G147-R150 VanDerWaalsContact O-CB 3.31Å; G147-R150 WeakPolarHBondContact O-CB 3.28Å; G147-R150 PolarHBondContact O-N 3.49Å; G147-L151 PolarHBondContact O-N 3.44Å
148L61.5Low67.3Low8 Ų854.8 Ų54.84%0.04226%0.255CS..Hα-helixtrans-63.4-28.9174-58.8-177.7000112.3K33 L55 L79 F81 F146 R150 L151 F152K33-L148 HydrophobicContact CD-CD1 4.15Å; L55-L148 HydrophobicContact CD1-CD2 4.23Å; L79-L148 HydrophobicContact CD1-CD1 3.64Å; L79-L148 HydrophobicContact CD1-CD2 3.41Å; L79-L148 VanDerWaalsContact CD1-CD2 3.41Å; L79-L148 HydrophobicContact CD1-CG 4.18Å; F81-L148 HydrophobicContact CZ-CD1 4.4Å; F146-L148 PolarHBondContact O-N 2.9Å; L148-R150 PolarHBondContact O-N 3.38Å; L148-L151 HydrophobicContact CD2-CD1 3.52Å; L148-L151 PolarHBondContact O-N 3.45Å; L148-F152 WeakPolarHBondContact O-CD2 3.47Å
149A54Low64.5Low4 Ų459.7 Ų59.73%0.03328%0.276CS..Hα-helixtrans-61.7-28.8172.400000112.7G147 S153 R158G147-A149 PolarHBondContact O-N 2.9Å; A149-S153 WeakPolarHBondContact O-CB 3.46Å; A149-S153 PolarHBondContact O-N 3.33Å; A149-R158 PolarHBondContact O-NH2 3.41Å
150R55.5Low62Low129 Ų12963.3 Ų63.349%0.48729%0.29SS..Hα-helixtrans-77.2-43.7178.9-112.6179.779139.41.5112.4E51 G147 L148 F152 S153E51-R150 IonicContact OE1-CZ 3.78Å; E51-R150 IonicContact OE1-NE 3.38Å; E51-R150 PolarHBondContact OE1-NE 3.02Å; E51-R150 IonicContact OE1-NH2 3.23Å; E51-R150 PolarHBondContact OE1-NH2 3.48Å; G147-R150 VanDerWaalsContact O-CB 3.31Å; G147-R150 WeakPolarHBondContact O-CB 3.28Å; G147-R150 PolarHBondContact O-N 3.49Å; L148-R150 PolarHBondContact O-N 3.38Å; R150-F152 PolarHBondContact O-N 3.19Å; R150-S153 PolarHBondContact O-N 3.29Å
151L56.3Low59.1Low23 Ų2366.1 Ų66.112%0.1231%0.312CS..Hα-helixtrans-51.8-32.2-179.7-71.5173.3000113.8A48 E51 I52 G147 L148A48-L151 HydrophobicContact CB-CD2 3.77Å; A48-L151 VanDerWaalsContact O-CD2 3.29Å; A48-L151 WeakPolarHBondContact O-CD2 2.95Å; E51-L151 HydrophobicContact CB-CD2 3.28Å; E51-L151 HydrophobicContact CB-CG 4.2Å; E51-L151 HydrophobicContact CG-CD2 4.23Å; E51-L151 WeakPolarHBondContact OE2-CA 3.48Å; E51-L151 VanDerWaalsContact OE2-CD2 3.31Å; E51-L151 WeakPolarHBondContact OE2-CD2 3.44Å; E51-L151 PolarHBondContact OE2-N 2.8Å; I52-L151 HydrophobicContact CD1-CD1 4.3Å; I52-L151 HydrophobicContact CG1-CD1 3.69Å; I52-L151 HydrophobicContact CG1-CD2 4.22Å; G147-L151 PolarHBondContact O-N 3.44Å; L148-L151 HydrophobicContact CD2-CD1 3.52Å; L148-L151 PolarHBondContact O-N 3.45Å
152F52.9Low56.1Low55 Ų5572.9 Ų72.924%0.24134%0.343CS..THydrogen-bonded Turntrans-123.83.6-172.5-56.4-70.7000113.8V35 L37 F77 L148 R150 D154V35-F152 HydrophobicContact CG1-CD2 4.43Å; V35-F152 HydrophobicContact CG1-CE1 4.16Å; V35-F152 HydrophobicContact CG1-CE2 3.61Å; V35-F152 HydrophobicContact CG1-CZ 3.43Å; V35-F152 VanDerWaalsContact CG1-CZ 3.43Å; L37-F152 HydrophobicContact CD2-CE1 4.39Å; F77-F152 HydrophobicContact CE1-CE1 4.38Å; F77-F152 AromaticContact CE1-CZ 3.67Å; F77-F152 HydrophobicContact CE1-CZ 3.67Å; F77-F152 HydrophobicContact CZ-CE2 4.07Å; F77-F152 AromaticContact CZ-CZ 3.49Å; F77-F152 HydrophobicContact CZ-CZ 3.49Å; F77-F152 VanDerWaalsContact CZ-CZ 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.47Å; R150-F152 PolarHBondContact O-N 3.19Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 3.44Å
153S46.9Very low52.9Low22 Ų2280.7 Ų80.715%0.15438%0.38CS..  trans-84.580.9167.7170.80000107.9A149 R150 Q155A149-S153 WeakPolarHBondContact O-CB 3.46Å; A149-S153 PolarHBondContact O-N 3.33Å; R150-S153 PolarHBondContact O-N 3.29Å; S153-Q155 PolarHBondContact O-N 3.01Å
154D43.1Very low50.4Low121 Ų12185.3 Ų85.365%0.64741%0.408SS*.  trans-60.2110.8157.8-155.6-8.3000106.1F152 R156 E157F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 3.44Å; D154-R156 PolarHBondContact O-N 3.11Å; D154-E157 PolarHBondContact O-N 3.36Å
155Q42.2Very low48.6Very low152 Ų15286.4 Ų86.471%0.7142%0.417SS*.THydrogen-bonded Turntrans-59.7-3.7-166.5-81.1-168.4-28.200113.9S153S153-Q155 PolarHBondContact O-N 3.01Å
156R39Very low47.9Very low226 Ų22687.3 Ų87.385%0.85342%0.424SS*.THydrogen-bonded Turntrans-98.6-25.7-172.6-68.1-176.9175.7-172.7-1.1114.4D154D154-R156 PolarHBondContact O-N 3.11Å
157E38.5Very low48.5Very low154 Ų15487 Ų8772%0.7242%0.423SS*.  trans-15153.9-168.2-67-179.4177.700113.4D154 L159D154-E157 PolarHBondContact O-N 3.36Å; E157-L159 PolarHBondContact O-N 2.92Å
158R41.5Very low50.1Low82 Ų8290.6 Ų90.631%0.30943%0.433SS..  trans-74.676.2151.9-83.3-170.7-179.6178.8-2.1108.5A149 Y160A149-R158 PolarHBondContact O-NH2 3.41Å; R158-Y160 HydrophobicContact CB-CD2 4.07Å; R158-Y160 HydrophobicContact CB-CE2 3.86Å; R158-Y160 PolarHBondContact NH1-OH 2.93Å; R158-Y160 PolarHBondContact O-N 2.9Å
159L32.2Very low51.7Low156 Ų15691.1 Ų91.182%0.81744%0.435SS*.  trans-62.189.9143.4-69.8166.7000104.8E157 S161E157-L159 PolarHBondContact O-N 2.92Å; L159-S161 PolarHBondContact O-N 2.85Å
160Y39.8Very low53.5Low77 Ų7792.7 Ų92.730%0.30244%0.44SS..  trans-56.8111.1168.1-73.6-85.8000105.5R158 H162 A165 R170R158-Y160 HydrophobicContact CB-CD2 4.07Å; R158-Y160 HydrophobicContact CB-CE2 3.86Å; R158-Y160 PolarHBondContact NH1-OH 2.93Å; R158-Y160 PolarHBondContact O-N 2.9Å; Y160-H162 PolarHBondContact O-N 3.19Å; Y160-A165 HydrophobicContact CD1-CB 4.29Å; Y160-R170 VanDerWaalsContact CE1-NH2 3.27Å
161S34Very low55.3Low81 Ų8186.6 Ų86.657%0.56642%0.417SS*.  trans-52119.8168.147.70000106.6L159 Q163L159-S161 PolarHBondContact O-N 2.85Å; S161-Q163 PolarHBondContact O-N 2.98Å
162H34Very low57Low144 Ų14485.5 Ų85.567%0.66741%0.411SS*.THydrogen-bonded Turntrans-57.4-16.9-167.9-69.4-86.9000113.2Y160 R167Y160-H162 PolarHBondContact O-N 3.19Å; H162-R167 PolarHBondContact O-NH1 3.43Å
163Q30.7Very low58.7Low187 Ų18783.4 Ų83.487%0.87440%0.402SS*.THydrogen-bonded Turntrans-94.8-5-168.1-74.7172.3-26.200117.2S161S161-Q163 PolarHBondContact O-N 2.98Å
164V42.5Very low60.6Low97 Ų9784.5 Ų84.559%0.58841%0.406SS*.SBendtrans-141.49.2-167.6-150.10000117.1
165A56Low62.6Low27 Ų2779.4 Ų79.422%0.22338%0.379CS..  trans-123.5120.1176.900000112.2Y160 R167Y160-A165 HydrophobicContact CD1-CB 4.29Å; A165-R167 PolarHBondContact O-N 3.01Å; A165-R167 VanDerWaalsContact O-N 3.16Å; A165-R167 PolarHBondContact O-NH1 3.08Å
166T69.3Low64.5Low63 Ų6372.4 Ų72.439%0.38735%0.346SS..  trans-64.5110.9174-46.60000110W168 Y169T166-W168 VanDerWaalsContact C-N 3.34Å; T166-W168 HydrophobicContact CG2-CB 3.98Å; T166-W168 HydrophobicContact CG2-CD2 3.48Å; T166-W168 VanDerWaalsContact CG2-CD2 3.48Å; T166-W168 HydrophobicContact CG2-CE3 3.63Å; T166-W168 HydrophobicContact CG2-CG 3.62Å; T166-W168 HydrophobicContact CG2-CZ3 4.36Å; T166-Y169 HydrophobicContact CG2-CD2 4.33Å; T166-Y169 HydrophobicContact CG2-CE2 3.78Å
167R87.1Confident66.4Low8 Ų862.7 Ų62.73%0.0332%0.317CS..  trans-86-6.3-178.3-69.3170.5171.483.6-0.2113.7H162 A165 Y169 R170 D209 Q212H162-R167 PolarHBondContact O-NH1 3.43Å; A165-R167 PolarHBondContact O-N 3.01Å; A165-R167 VanDerWaalsContact O-N 3.16Å; A165-R167 PolarHBondContact O-NH1 3.08Å; R167-Y169 PolarHBondContact O-N 2.76Å; R167-R170 WeakPolarHBondContact O-CB 3.29Å; R167-R170 PolarHBondContact O-N 3.43Å; R167-D209 WeakPolarHBondContact CD-OD1 3.26Å; R167-D209 IonicContact NE-OD1 3.59Å; R167-D209 PolarHBondContact NE-OD1 3.43Å; R167-D209 IonicContact NE-OD2 2.71Å; R167-Q212 HydrophobicContact CB-CG 4.39Å; R167-Q212 PolarHBondContact O-NE2 2.92Å
168W94.3Very high68.3Low87 Ų8755.9 Ų55.933%0.3329%0.286SS..THydrogen-bonded Turntrans-58.5-21.4-168.6-55.9-15.4000115.5T166 P202 F204 P205 G206 Q212T166-W168 VanDerWaalsContact C-N 3.34Å; T166-W168 HydrophobicContact CG2-CB 3.98Å; T166-W168 HydrophobicContact CG2-CD2 3.48Å; T166-W168 VanDerWaalsContact CG2-CD2 3.48Å; T166-W168 HydrophobicContact CG2-CE3 3.63Å; T166-W168 HydrophobicContact CG2-CG 3.62Å; T166-W168 HydrophobicContact CG2-CZ3 4.36Å; W168-P202 HydrophobicContact CD2-CB 4.25Å; W168-P202 HydrophobicContact CD2-CG 4.37Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.42Å; W168-P202 VanDerWaalsContact CE3-CG 3.42Å; W168-P202 HydrophobicContact CH2-CG 4.15Å; W168-P202 HydrophobicContact CZ3-CB 4.07Å; W168-P202 HydrophobicContact CZ3-CG 3.31Å; W168-F204 VanDerWaalsContact CA-O 3.26Å; W168-F204 WeakPolarHBondContact CA-O 3.28Å; W168-F204 VanDerWaalsContact CB-O 3.31Å; W168-F204 WeakPolarHBondContact CB-O 3.1Å; W168-P205 VanDerWaalsContact CD1-CA 3.45Å; W168-P205 HydrophobicContact CD2-CB 4.33Å; W168-P205 HydrophobicContact CZ2-CB 4.18Å; W168-G206 PolarHBondContact NE1-O 3.25Å; W168-G206 VanDerWaalsContact NE1-O 3.17Å; W168-Q212 PolarHBondContact O-NE2 3.48Å; W168-Q212 VanDerWaalsContact O-NE2 3.15Å
169Y95.2Very high69.8Low19 Ų1961.8 Ų61.88%0.07531%0.308CS..THydrogen-bonded Turntrans-107.78-178.3-44.1-87.6000112.7L128 K129 P130 T166 R167 A189 C192 I193 E196L128-Y169 VanDerWaalsContact O-CB 3.31Å; L128-Y169 WeakPolarHBondContact O-CB 3.48Å; K129-Y169 HydrophobicContact CB-CD2 3.47Å; K129-Y169 VanDerWaalsContact CB-CD2 3.47Å; K129-Y169 HydrophobicContact CB-CE2 3.51Å; K129-Y169 HydrophobicContact CB-CG 4.09Å; P130-Y169 VanDerWaalsContact CD-CE1 3.49Å; P130-Y169 WeakPolarHBondContact CD-OH 3.38Å; P130-Y169 HydrophobicContact CG-CE1 4.14Å; P130-Y169 WeakPolarHBondContact CG-OH 3.39Å; T166-Y169 HydrophobicContact CG2-CD2 4.33Å; T166-Y169 HydrophobicContact CG2-CE2 3.78Å; R167-Y169 PolarHBondContact O-N 2.76Å; Y169-A189 WeakPolarHBondContact O-CB 3.31Å; Y169-C192 HydrophobicContact CD1-CB 3.64Å; Y169-C192 HydrophobicContact CE1-CB 4.42Å; Y169-C192 HydrophobicContact CG-CB 4.43Å; Y169-I193 HydrophobicContact CD1-CG1 3.8Å; Y169-I193 HydrophobicContact CE1-CG1 3.9Å; Y169-E196 VanDerWaalsContact CE1-OE2 3.31Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.28Å; Y169-E196 PolarHBondContact OH-OE2 2.97Å
170R92.5Very high71.8Confident36 Ų3660 Ų6014%0.13629%0.294CS..  trans-78.4131.5-177.1-172.8175.3-68.2-179.8-3.8110.7Y160 R167 L174 L175 W188 D209Y160-R170 VanDerWaalsContact CE1-NH2 3.27Å; R167-R170 WeakPolarHBondContact O-CB 3.29Å; R167-R170 PolarHBondContact O-N 3.43Å; R170-L174 HydrophobicContact CG-CB 3.73Å; R170-L174 HydrophobicContact CG-CD1 4.09Å; R170-L175 HydrophobicContact CB-CD2 4.3Å; R170-L175 HydrophobicContact CG-CD2 4.04Å; R170-L175 HydrophobicContact CG-CG 4.12Å; R170-W188 PolarHBondContact O-NE1 3.29Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; R170-D209 IonicContact CZ-OD1 2.74Å; R170-D209 IonicContact NH1-OD1 3.42Å; R170-D209 PolarHBondContact NH1-OD1 2.88Å; R170-D209 IonicContact NH1-OD2 3.51Å
171A92.9Very high73.7Confident1 Ų159.3 Ų59.31%0.00829%0.292CS..  trans-67.6148179.400000112.8E173 L174 L175 V185 W188A171-E173 VanDerWaalsContact C-N 3.31Å; A171-E173 HydrophobicContact CB-CG 4.5Å; A171-E173 WeakPolarHBondContact CB-OE1 3.38Å; A171-E173 WeakPolarHBondContact CB-OE2 3.41Å; A171-E173 PolarHBondContact O-N 3.16Å; A171-L174 HydrophobicContact CB-CD1 4.49Å; A171-L174 WeakPolarHBondContact O-CB 3.32Å; A171-L174 PolarHBondContact O-N 2.88Å; A171-L175 PolarHBondContact O-N 3.19Å; A171-V185 HydrophobicContact CB-CB 4.29Å; A171-V185 HydrophobicContact CB-CG1 4.27Å; A171-W188 HydrophobicContact CB-CB 3.77Å; A171-W188 HydrophobicContact CB-CD2 4.32Å; A171-W188 HydrophobicContact CB-CG 3.69Å
172P92.6Very high76.1Confident0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-59-37.8-17621.9-33.3000113.3L174 L175 Y176 W188 V216 W228 Y299P172-L174 VanDerWaalsContact C-N 3.25Å; P172-L174 PolarHBondContact O-N 3.25Å; P172-L175 WeakPolarHBondContact O-CB 3.4Å; P172-L175 PolarHBondContact O-N 2.62Å; P172-L175 VanDerWaalsContact O-N 3.12Å; P172-Y176 WeakPolarHBondContact O-CD2 3.39Å; P172-Y176 PolarHBondContact O-N 3.34Å; P172-W188 HydrophobicContact CG-CE3 4.25Å; P172-W188 HydrophobicContact CG-CH2 4.09Å; P172-W188 HydrophobicContact CG-CZ2 4.47Å; P172-W188 HydrophobicContact CG-CZ3 3.97Å; P172-V216 HydrophobicContact CB-CG1 4.5Å; P172-W228 HydrophobicContact CB-CH2 4.21Å; P172-W228 HydrophobicContact CB-CZ3 4.15Å; P172-W228 HydrophobicContact CG-CH2 4.45Å; P172-Y299 HydrophobicContact CB-CD1 4.11Å; P172-Y299 HydrophobicContact CB-CE1 4.17Å; P172-Y299 HydrophobicContact CG-CD1 3.92Å; P172-Y299 HydrophobicContact CG-CE1 4.32Å
173E88.1Confident78.8Confident12 Ų1254.1 Ų54.16%0.05626%0.26CS..Hα-helixtrans-61.3-34176.465.1-84.3-159.100112.5A171 G177 A178 V185 W228 S301 R304A171-E173 VanDerWaalsContact C-N 3.31Å; A171-E173 HydrophobicContact CB-CG 4.5Å; A171-E173 WeakPolarHBondContact CB-OE1 3.38Å; A171-E173 WeakPolarHBondContact CB-OE2 3.41Å; A171-E173 PolarHBondContact O-N 3.16Å; E173-G177 PolarHBondContact O-N 3.32Å; E173-A178 HydrophobicContact CB-CB 4.09Å; E173-A178 HydrophobicContact CG-CB 4.43Å; E173-A178 WeakPolarHBondContact O-CB 3.35Å; E173-A178 PolarHBondContact O-N 3.12Å; E173-V185 HydrophobicContact CG-CG1 4.47Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.36Å; E173-W228 HydrophobicContact CB-CH2 4.18Å; E173-W228 HydrophobicContact CB-CZ2 4.13Å; E173-S301 PolarHBondContact OE1-OG 3.23Å; E173-R304 IonicContact OE1-CZ 3.95Å; E173-R304 IonicContact OE1-NH1 2.77Å; E173-R304 PolarHBondContact OE1-NH1 2.8Å; E173-R304 IonicContact OE1-NH2 2.8Å; E173-R304 PolarHBondContact OE1-NH2 3.14Å; E173-R304 IonicContact OE2-CZ 2.93Å; E173-R304 IonicContact OE2-NH1 3.47Å; E173-R304 IonicContact OE2-NH2 3.98Å; E173-R304 PolarHBondContact OE2-NH2 2.88Å
174L86.8Confident81.8Confident44 Ų4445.3 Ų45.323%0.2322%0.22CC..Hα-helixtrans-73-35.5175.4-64.6178.4000111.6R170 A171 P172 Y176 G177 Y181 V185R170-L174 HydrophobicContact CG-CB 3.73Å; R170-L174 HydrophobicContact CG-CD1 4.09Å; A171-L174 HydrophobicContact CB-CD1 4.49Å; A171-L174 WeakPolarHBondContact O-CB 3.32Å; A171-L174 PolarHBondContact O-N 2.88Å; P172-L174 VanDerWaalsContact C-N 3.25Å; P172-L174 PolarHBondContact O-N 3.25Å; L174-Y176 VanDerWaalsContact C-N 3.29Å; L174-Y176 PolarHBondContact O-N 2.88Å; L174-G177 PolarHBondContact O-N 2.74Å; L174-Y181 HydrophobicContact CD2-CD1 3.5Å; L174-Y181 VanDerWaalsContact CD2-CD1 3.5Å; L174-Y181 HydrophobicContact CD2-CE1 3.88Å; L174-Y181 HydrophobicContact CD2-CG 3.87Å; L174-V185 HydrophobicContact CD1-CB 4.03Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CD2-CG1 4.24Å; L174-V185 HydrophobicContact CG-CG1 3.95Å
175L86.8Confident84.2Confident14 Ų1441 Ų417%0.07319%0.194CC..Hα-helixtrans-66.3-32.5175.4-64168.7000112R170 A171 P172 G177 D209 Q212 L213R170-L175 HydrophobicContact CB-CD2 4.3Å; R170-L175 HydrophobicContact CG-CD2 4.04Å; R170-L175 HydrophobicContact CG-CG 4.12Å; A171-L175 PolarHBondContact O-N 3.19Å; P172-L175 WeakPolarHBondContact O-CB 3.4Å; P172-L175 PolarHBondContact O-N 2.62Å; P172-L175 VanDerWaalsContact O-N 3.12Å; L175-G177 PolarHBondContact O-N 3.42Å; L175-D209 HydrophobicContact CD2-CB 4.14Å; L175-Q212 HydrophobicContact CD1-CB 4.16Å; L175-Q212 HydrophobicContact CD1-CG 3.6Å; L175-Q212 HydrophobicContact CD2-CB 3.95Å; L175-Q212 HydrophobicContact CD2-CG 3.81Å; L175-Q212 HydrophobicContact CG-CG 4.35Å; L175-L213 HydrophobicContact CB-CB 4.43Å; L175-L213 HydrophobicContact CB-CD1 4.49Å; L175-L213 HydrophobicContact CD1-CB 4.22Å; L175-L213 HydrophobicContact CD1-CD1 4.43Å
176Y81.2Confident86.1Confident5 Ų539.8 Ų39.82%0.0218%0.183CC..THydrogen-bonded Turntrans-81.96171.6-76.3-64000114.2P172 L174 L213 W228 L262 P263 D264 Y265P172-Y176 WeakPolarHBondContact O-CD2 3.39Å; P172-Y176 PolarHBondContact O-N 3.34Å; L174-Y176 VanDerWaalsContact C-N 3.29Å; L174-Y176 PolarHBondContact O-N 2.88Å; Y176-L213 HydrophobicContact CD1-CD2 4.02Å; Y176-L213 HydrophobicContact CD2-CD1 4.3Å; Y176-L213 HydrophobicContact CE1-CD2 3.51Å; Y176-L213 HydrophobicContact CE2-CD1 3.64Å; Y176-L213 HydrophobicContact CE2-CD2 4.06Å; Y176-L213 HydrophobicContact CE2-CG 4.48Å; Y176-L213 HydrophobicContact CG-CD2 4.5Å; Y176-W228 HydrophobicContact CD2-CH2 4.07Å; Y176-W228 HydrophobicContact CD2-CZ3 4.05Å; Y176-W228 HydrophobicContact CE2-CH2 4.44Å; Y176-W228 AromaticContact CE2-CZ3 3.95Å; Y176-W228 HydrophobicContact CE2-CZ3 3.95Å; Y176-L262 HydrophobicContact CD2-CD1 4.17Å; Y176-L262 HydrophobicContact CG-CD1 4.15Å; Y176-P263 VanDerWaalsContact O-CD 3.28Å; Y176-P263 WeakPolarHBondContact O-CD 3.33Å; Y176-D264 PolarHBondContact O-N 3.15Å; Y176-Y265 AromaticContact CD1-CD2 3.99Å; Y176-Y265 HydrophobicContact CD1-CD2 3.99Å; Y176-Y265 HydrophobicContact CD2-CD2 4.46Å; Y176-Y265 AromaticContact CE1-CD2 3.62Å; Y176-Y265 HydrophobicContact CE1-CD2 3.62Å; Y176-Y265 HydrophobicContact CE1-CE2 4.37Å; Y176-Y265 HydrophobicContact CE1-CG 4.38Å; Y176-Y265 HydrophobicContact CE2-CD2 4.15Å; Y176-Y265 HydrophobicContact CG-CD2 4.39Å; Y176-Y265 AromaticContact CZ-CD2 3.71Å
177G78.9Confident87.5Confident23 Ų2337.3 Ų37.324%0.23717%0.167CC..THydrogen-bonded Turntrans85.319.6172.500000115.5E173 L174 L175 R179 P263E173-G177 PolarHBondContact O-N 3.32Å; L174-G177 PolarHBondContact O-N 2.74Å; L175-G177 PolarHBondContact O-N 3.42Å; G177-R179 PolarHBondContact O-N 3.12Å; G177-P263 WeakPolarHBondContact O-CD 3.44Å; G177-P263 VanDerWaalsContact O-CG 3.29Å; G177-P263 WeakPolarHBondContact O-CG 3.43Å
178A78.3Confident88.1Confident10 Ų1036.9 Ų36.98%0.08317%0.166CC..  trans-51.6124.9177.300000111.4E173 L262E173-A178 HydrophobicContact CB-CB 4.09Å; E173-A178 HydrophobicContact CG-CB 4.43Å; E173-A178 WeakPolarHBondContact O-CB 3.35Å; E173-A178 PolarHBondContact O-N 3.12Å; A178-L262 HydrophobicContact CB-CD2 3.59Å
179R73.5Confident88.2Confident206 Ų20633 Ų3378%0.77715%0.152SC*.SBendtrans-93.1-18176.5-63.7-175.2179.6179.9-1.4112.6G177G177-R179 PolarHBondContact O-N 3.12Å
180K73.3Confident88.4Confident120 Ų12032 Ų3252%0.52215%0.148SC..SBendtrans-120.1122.9175.1-63-179.2-179.2177.50107.8L255K180-L255 HydrophobicContact CD-CD2 4.06Å
181Y80.1Confident88.7Confident62 Ų6230.3 Ų30.324%0.24314%0.142CC..  trans-147.7160.4-177.748.1-96.7000109.5M124 R126 L174 V185M124-Y181 HydrophobicContact SD-CD2 4.36Å; R126-Y181 HydrophobicContact CG-CE2 4.44Å; L174-Y181 HydrophobicContact CD2-CD1 3.5Å; L174-Y181 VanDerWaalsContact CD2-CD1 3.5Å; L174-Y181 HydrophobicContact CD2-CE1 3.88Å; L174-Y181 HydrophobicContact CD2-CG 3.87Å; Y181-V185 HydrophobicContact CD2-CG1 4.17Å; Y181-V185 HydrophobicContact CD2-CG2 4.33Å; Y181-V185 HydrophobicContact CG-CG1 4.21Å
182D85.1Confident89Confident44 Ų4430.4 Ų30.424%0.23514%0.142CC..  trans-115.7-172.3-17858.823.4000110.8M124 G184 V185 S301M124-D182 VanDerWaalsContact SD-C 3.5Å; D182-G184 PolarHBondContact O-N 3.03Å; D182-G184 VanDerWaalsContact O-N 3.09Å; D182-G184 PolarHBondContact OD1-N 2.9Å; D182-V185 WeakPolarHBondContact O-CG2 3.46Å; D182-V185 PolarHBondContact O-N 3.11Å; D182-S301 WeakPolarHBondContact OD1-CB 3.33Å; D182-S301 PolarHBondContact OD1-OG 3.42Å
183E91Very high89.2Confident71 Ų7130.4 Ų30.433%0.33214%0.142SC..THydrogen-bonded Turntrans-59-16.8178.3-70.1173.3174.300113.7H119 M124 V185 D186 L187H119-E183 HydrophobicContact CB-CG 4.5Å; H119-E183 IonicContact CG-OE1 2.66Å; H119-E183 IonicContact CG-OE2 3.31Å; H119-E183 IonicContact ND1-OE2 3.64Å; M124-E183 HydrophobicContact CG-CB 4.44Å; M124-E183 HydrophobicContact CG-CG 3.71Å; M124-E183 HydrophobicContact SD-CG 4.46Å; E183-V185 PolarHBondContact O-N 2.71Å; E183-V185 VanDerWaalsContact O-N 3.16Å; E183-D186 WeakPolarHBondContact O-CB 3.42Å; E183-D186 PolarHBondContact O-N 3.37Å; E183-L187 PolarHBondContact O-N 2.76Å
184G93.7Very high89.7Confident3 Ų329.8 Ų29.83%0.03114%0.139CC..Hα-helixtrans-66.7-16.5-179.700000113.9D182 D186 L187 W188 S301 R304D182-G184 PolarHBondContact O-N 3.03Å; D182-G184 VanDerWaalsContact O-N 3.09Å; D182-G184 PolarHBondContact OD1-N 2.9Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 PolarHBondContact O-N 3.09Å; G184-L187 PolarHBondContact O-N 3.2Å; G184-W188 PolarHBondContact O-N 2.89Å; G184-S301 WeakPolarHBondContact CA-OG 3.25Å; G184-R304 WeakPolarHBondContact O-CD 3.25Å; G184-R304 PolarHBondContact O-NH1 2.97Å
185V93Very high90.2Very high6 Ų627.7 Ų27.74%0.03613%0.129CC..Hα-helixtrans-62.7-34.9169.4-57.10000112A171 E173 L174 Y181 D182 E183 A189A171-V185 HydrophobicContact CB-CB 4.29Å; A171-V185 HydrophobicContact CB-CG1 4.27Å; E173-V185 HydrophobicContact CG-CG1 4.47Å; E173-V185 WeakPolarHBondContact OE1-CG1 3.36Å; L174-V185 HydrophobicContact CD1-CB 4.03Å; L174-V185 HydrophobicContact CD1-CG1 3.85Å; L174-V185 HydrophobicContact CD2-CG1 4.24Å; L174-V185 HydrophobicContact CG-CG1 3.95Å; Y181-V185 HydrophobicContact CD2-CG1 4.17Å; Y181-V185 HydrophobicContact CD2-CG2 4.33Å; Y181-V185 HydrophobicContact CG-CG1 4.21Å; D182-V185 WeakPolarHBondContact O-CG2 3.46Å; D182-V185 PolarHBondContact O-N 3.11Å; E183-V185 PolarHBondContact O-N 2.71Å; E183-V185 VanDerWaalsContact O-N 3.16Å; V185-A189 PolarHBondContact O-N 3.12Å
186D95.8Very high90.7Very high2 Ų227.6 Ų27.61%0.01113%0.127CC..Hα-helixtrans-73-39.6175.4-66.3-24.6000110.3H119 M124 H125 R126 L128 E183 G184 W188 A189 V190H119-D186 IonicContact CD2-OD2 3.81Å; H119-D186 IonicContact CE1-OD2 3.94Å; H119-D186 IonicContact NE2-OD2 3.61Å; H119-D186 PolarHBondContact NE2-OD2 3.14Å; M124-D186 WeakPolarHBondContact CA-OD2 3.47Å; H125-D186 PolarHBondContact N-OD1 3.48Å; H125-D186 PolarHBondContact N-OD2 2.8Å; R126-D186 WeakPolarHBondContact CA-OD1 3.33Å; R126-D186 PolarHBondContact N-OD1 3.48Å; L128-D186 HydrophobicContact CD1-CB 3.79Å; E183-D186 WeakPolarHBondContact O-CB 3.42Å; E183-D186 PolarHBondContact O-N 3.37Å; G184-D186 VanDerWaalsContact C-N 3.26Å; G184-D186 PolarHBondContact O-N 3.09Å; D186-W188 VanDerWaalsContact C-N 3.31Å; D186-W188 PolarHBondContact O-N 3.38Å; D186-A189 WeakPolarHBondContact O-CB 3.5Å; D186-A189 PolarHBondContact O-N 2.73Å; D186-A189 VanDerWaalsContact O-N 3.16Å; D186-V190 WeakPolarHBondContact O-CG2 3.39Å; D186-V190 PolarHBondContact O-N 3.29Å
187L98.4Very high91.5Very high10 Ų1027.5 Ų27.55%0.05213%0.128CC..Hα-helixtrans-66.1-33.5179.2-57.8172.9000112.1V115 E183 G184 V190 G191 F296 R304 C305 A307V115-L187 HydrophobicContact CG1-CD2 4.45Å; E183-L187 PolarHBondContact O-N 2.76Å; G184-L187 PolarHBondContact O-N 3.2Å; L187-V190 PolarHBondContact O-N 3.31Å; L187-G191 PolarHBondContact O-N 3.02Å; L187-G191 VanDerWaalsContact O-N 3.08Å; L187-F296 HydrophobicContact CB-CD1 4.17Å; L187-F296 HydrophobicContact CB-CE1 4.49Å; L187-F296 HydrophobicContact CD2-CE1 4.31Å; L187-F296 WeakPolarHBondContact O-CD1 3.34Å; L187-R304 HydrophobicContact CB-CB 4.18Å; L187-R304 HydrophobicContact CD1-CB 4.29Å; L187-C305 WeakPolarHBondContact CD1-O 3.31Å; L187-A307 HydrophobicContact CD2-CB 4.22Å
188W98.2Very high92.3Very high0 Ų028 Ų280%013%0.125CC..Hα-helixtrans-62.1-49.5169.2176.4-85.5000111.6R170 A171 P172 G184 D186 V190 G191 C192 F204 V216 L220 L297R170-W188 PolarHBondContact O-NE1 3.29Å; R170-W188 VanDerWaalsContact O-NE1 3.13Å; A171-W188 HydrophobicContact CB-CB 3.77Å; A171-W188 HydrophobicContact CB-CD2 4.32Å; A171-W188 HydrophobicContact CB-CG 3.69Å; P172-W188 HydrophobicContact CG-CE3 4.25Å; P172-W188 HydrophobicContact CG-CH2 4.09Å; P172-W188 HydrophobicContact CG-CZ2 4.47Å; P172-W188 HydrophobicContact CG-CZ3 3.97Å; G184-W188 PolarHBondContact O-N 2.89Å; D186-W188 VanDerWaalsContact C-N 3.31Å; D186-W188 PolarHBondContact O-N 3.38Å; W188-V190 VanDerWaalsContact C-N 3.27Å; W188-V190 PolarHBondContact O-N 3.07Å; W188-G191 WeakPolarHBondContact O-CA 3.43Å; W188-G191 PolarHBondContact O-N 3.18Å; W188-C192 PolarHBondContact NE1-SG 3.2Å; W188-C192 PolarHBondContact O-N 2.66Å; W188-F204 HydrophobicContact CH2-CE2 4.43Å; W188-F204 HydrophobicContact CZ2-CD2 4.27Å; W188-F204 AromaticContact CZ2-CE2 3.83Å; W188-F204 HydrophobicContact CZ2-CE2 3.83Å; W188-F204 HydrophobicContact CZ2-CZ 4.5Å; W188-V216 HydrophobicContact CH2-CG1 3.66Å; W188-V216 HydrophobicContact CH2-CG2 4.37Å; W188-V216 HydrophobicContact CZ2-CG1 3.9Å; W188-V216 HydrophobicContact CZ2-CG2 3.75Å; W188-L220 HydrophobicContact CH2-CD1 3.53Å; W188-L220 HydrophobicContact CZ3-CD1 3.77Å; W188-L297 HydrophobicContact CD2-CD2 4.26Å; W188-L297 HydrophobicContact CE3-CD2 4.16Å; W188-L297 HydrophobicContact CH2-CD2 4.31Å; W188-L297 HydrophobicContact CZ2-CD2 4.38Å; W188-L297 HydrophobicContact CZ3-CB 4.48Å; W188-L297 HydrophobicContact CZ3-CD2 4.21Å
189A97.8Very high93Very high4 Ų429.6 Ų29.63%0.03313%0.132CC..Hα-helixtrans-60.6-37.7178.600000111.9L128 Y169 V185 D186 G191 C192 I193L128-A189 HydrophobicContact CB-CB 3.66Å; Y169-A189 WeakPolarHBondContact O-CB 3.31Å; V185-A189 PolarHBondContact O-N 3.12Å; D186-A189 WeakPolarHBondContact O-CB 3.5Å; D186-A189 PolarHBondContact O-N 2.73Å; D186-A189 VanDerWaalsContact O-N 3.16Å; A189-G191 VanDerWaalsContact C-N 3.34Å; A189-G191 PolarHBondContact O-N 3.5Å; A189-C192 PolarHBondContact O-N 3.14Å; A189-I193 WeakPolarHBondContact O-CD1 3.14Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.49Å; A189-I193 PolarHBondContact O-N 3.36Å
190V98.8Very high93.8Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-58.2-44.3170.6169.50000111.2M108 L111 L112 V115 L128 D186 L187 W188 I193 F194 F296M108-V190 HydrophobicContact CE-CG1 3.84Å; L111-V190 HydrophobicContact CD2-CG1 4.29Å; L111-V190 HydrophobicContact CD2-CG2 4.23Å; L111-V190 HydrophobicContact CG-CG2 4.32Å; L112-V190 HydrophobicContact CD2-CG1 3.8Å; V115-V190 HydrophobicContact CG2-CG2 4.06Å; L128-V190 HydrophobicContact CD1-CG2 3.94Å; D186-V190 WeakPolarHBondContact O-CG2 3.39Å; D186-V190 PolarHBondContact O-N 3.29Å; L187-V190 PolarHBondContact O-N 3.31Å; W188-V190 VanDerWaalsContact C-N 3.27Å; W188-V190 PolarHBondContact O-N 3.07Å; V190-I193 PolarHBondContact O-N 3.42Å; V190-F194 WeakPolarHBondContact O-CB 3.46Å; V190-F194 PolarHBondContact O-N 3.07Å; V190-F296 HydrophobicContact CG1-CD2 4.43Å; V190-F296 HydrophobicContact CG1-CE1 4.14Å; V190-F296 HydrophobicContact CG1-CE2 4.03Å; V190-F296 HydrophobicContact CG1-CZ 3.88Å
191G98.5Very high94.7Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-60.1-44.1174.100000113L187 W188 A189 F194 G195 L293L187-G191 PolarHBondContact O-N 3.02Å; L187-G191 VanDerWaalsContact O-N 3.08Å; W188-G191 WeakPolarHBondContact O-CA 3.43Å; W188-G191 PolarHBondContact O-N 3.18Å; A189-G191 VanDerWaalsContact C-N 3.34Å; A189-G191 PolarHBondContact O-N 3.5Å; G191-F194 PolarHBondContact O-N 2.71Å; G191-G195 PolarHBondContact O-N 2.98Å; G191-L293 WeakPolarHBondContact O-CD1 3.47Å
192C98.5Very high95.3Very high2 Ų218.1 Ų18.11%0.01411%0.106CC..Hα-helixtrans-61.4-45.4175.3-650000112.4Y169 W188 A189 F194 G195 E196Y169-C192 HydrophobicContact CD1-CB 3.64Å; Y169-C192 HydrophobicContact CE1-CB 4.42Å; Y169-C192 HydrophobicContact CG-CB 4.43Å; W188-C192 PolarHBondContact NE1-SG 3.2Å; W188-C192 PolarHBondContact O-N 2.66Å; A189-C192 PolarHBondContact O-N 3.14Å; C192-F194 VanDerWaalsContact C-N 3.32Å; C192-F194 PolarHBondContact O-N 2.75Å; C192-G195 PolarHBondContact O-N 2.99Å; C192-E196 PolarHBondContact O-N 3.09Å
193I98.6Very high95.7Very high0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-62.5-41.4176.1-68.4161.9000110.5L88 L111 L128 P130 L133 Y169 A189 V190 E196 L197L88-I193 HydrophobicContact CD2-CG2 4.09Å; L111-I193 HydrophobicContact CD2-CB 4.41Å; L111-I193 HydrophobicContact CD2-CD1 4.29Å; L111-I193 HydrophobicContact CD2-CG2 3.97Å; L128-I193 HydrophobicContact CB-CD1 4.24Å; P130-I193 HydrophobicContact CG-CG1 4.31Å; L133-I193 HydrophobicContact CD1-CD1 3.96Å; L133-I193 HydrophobicContact CD1-CG2 4.16Å; Y169-I193 HydrophobicContact CD1-CG1 3.8Å; Y169-I193 HydrophobicContact CE1-CG1 3.9Å; A189-I193 WeakPolarHBondContact O-CD1 3.14Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.49Å; A189-I193 PolarHBondContact O-N 3.36Å; V190-I193 PolarHBondContact O-N 3.42Å; I193-E196 PolarHBondContact O-N 3.47Å; I193-L197 HydrophobicContact CG2-CD1 4.18Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.22Å
194F98.6Very high95.9Very high0 Ų013.8 Ų13.80%09%0.085CC..Hα-helixtrans-62.3-47.8178.5-175.2-152.6000111.6V104 M108 V190 G191 C192 E196 L197 L198 A289 L292 L293 F315V104-F194 HydrophobicContact CG1-CD2 4.04Å; V104-F194 HydrophobicContact CG1-CE2 3.74Å; M108-F194 HydrophobicContact CE-CB 3.61Å; M108-F194 HydrophobicContact CE-CD1 4.2Å; M108-F194 HydrophobicContact CE-CD2 4.05Å; M108-F194 HydrophobicContact CE-CG 3.69Å; M108-F194 HydrophobicContact CG-CD2 3.53Å; M108-F194 HydrophobicContact CG-CE2 3.99Å; M108-F194 HydrophobicContact CG-CG 4.18Å; M108-F194 HydrophobicContact SD-CB 3.58Å; M108-F194 VanDerWaalsContact SD-CB 3.58Å; M108-F194 HydrophobicContact SD-CD2 3.72Å; M108-F194 HydrophobicContact SD-CG 3.82Å; V190-F194 WeakPolarHBondContact O-CB 3.46Å; V190-F194 PolarHBondContact O-N 3.07Å; G191-F194 PolarHBondContact O-N 2.71Å; C192-F194 VanDerWaalsContact C-N 3.32Å; C192-F194 PolarHBondContact O-N 2.75Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 2.92Å; F194-L197 WeakPolarHBondContact O-CB 3.42Å; F194-L197 PolarHBondContact O-N 2.77Å; F194-L198 HydrophobicContact CD2-CD1 4.08Å; F194-L198 HydrophobicContact CD2-CG 4.1Å; F194-L198 HydrophobicContact CE1-CD1 4.29Å; F194-L198 HydrophobicContact CE2-CD1 3.8Å; F194-L198 HydrophobicContact CE2-CD2 3.91Å; F194-L198 HydrophobicContact CE2-CG 3.88Å; F194-L198 HydrophobicContact CG-CD1 4.45Å; F194-L198 HydrophobicContact CZ-CD1 3.92Å; F194-L198 HydrophobicContact CZ-CD2 4.44Å; F194-L198 HydrophobicContact CZ-CG 4.46Å; F194-L198 WeakPolarHBondContact O-CG 3.42Å; F194-L198 PolarHBondContact O-N 2.97Å; F194-L198 VanDerWaalsContact O-N 3.08Å; F194-A289 WeakPolarHBondContact CE1-O 3.3Å; F194-A289 HydrophobicContact CZ-CB 3.93Å; F194-L292 HydrophobicContact CE1-CB 4.02Å; F194-L292 HydrophobicContact CE1-CD2 4.04Å; F194-L292 HydrophobicContact CE1-CG 4.05Å; F194-L292 HydrophobicContact CZ-CD2 4.43Å; F194-L293 HydrophobicContact CB-CD1 4.24Å; F194-L293 HydrophobicContact CD1-CB 4.07Å; F194-L293 HydrophobicContact CD1-CD1 3.87Å; F194-L293 HydrophobicContact CE1-CB 4.12Å; F194-L293 HydrophobicContact CG-CD1 4.38Å; F194-F315 AromaticContact CE2-CE1 3.9Å; F194-F315 HydrophobicContact CE2-CE1 3.9Å; F194-F315 HydrophobicContact CE2-CE2 4.44Å; F194-F315 AromaticContact CE2-CZ 3.64Å; F194-F315 HydrophobicContact CE2-CZ 3.64Å; F194-F315 HydrophobicContact CZ-CD1 4.34Å; F194-F315 AromaticContact CZ-CE1 3.74Å; F194-F315 HydrophobicContact CZ-CE1 3.74Å; F194-F315 HydrophobicContact CZ-CE2 4.02Å; F194-F315 AromaticContact CZ-CZ 3.56Å; F194-F315 HydrophobicContact CZ-CZ 3.56Å
195G97.3Very high95.9Very high0 Ų016.8 Ų16.80%010%0.104CC..Hα-helixtrans-61.3-37.7175.400000113.3G191 C192 L198 N199G191-G195 PolarHBondContact O-N 2.98Å; C192-G195 PolarHBondContact O-N 2.99Å; G195-L198 PolarHBondContact O-N 2.88Å; G195-N199 WeakPolarHBondContact O-CB 3.31Å; G195-N199 PolarHBondContact O-N 3.3Å
196E96.9Very high95.8Very high11 Ų1116.7 Ų16.75%0.05110%0.104CC..Hα-helixtrans-65.6-37.9174.4-178.2178.3-175.400112.7I92 P130 Y169 C192 I193 F194 L198 N199 S200 S201I92-E196 HydrophobicContact CD1-CG 4.21Å; P130-E196 WeakPolarHBondContact CG-OE2 3.04Å; Y169-E196 VanDerWaalsContact CE1-OE2 3.31Å; Y169-E196 WeakPolarHBondContact CE1-OE2 3.28Å; Y169-E196 PolarHBondContact OH-OE2 2.97Å; C192-E196 PolarHBondContact O-N 3.09Å; I193-E196 PolarHBondContact O-N 3.47Å; F194-E196 VanDerWaalsContact C-N 3.3Å; F194-E196 PolarHBondContact O-N 2.92Å; E196-L198 VanDerWaalsContact C-N 3.27Å; E196-L198 PolarHBondContact O-N 3.45Å; E196-N199 PolarHBondContact O-N 3.21Å; E196-S200 WeakPolarHBondContact O-CA 3.46Å; E196-S200 PolarHBondContact O-N 3.05Å; E196-S201 WeakPolarHBondContact CA-O 3.45Å; E196-S201 PolarHBondContact O-N 3.13Å
197L96.9Very high95.4Very high4 Ų424.1 Ų24.12%0.02114%0.139CC..Hα-helixtrans-64.3-33.1173.7-71.3170.3000112.4L88 I92 L99 V104 M108 I193 F194L88-L197 HydrophobicContact CD1-CD2 4.06Å; L88-L197 HydrophobicContact CD2-CD1 4.36Å; L88-L197 HydrophobicContact CD2-CD2 4.1Å; L88-L197 HydrophobicContact CG-CD2 4.24Å; I92-L197 HydrophobicContact CD1-CD2 3.84Å; I92-L197 HydrophobicContact CG1-CD2 3.96Å; L99-L197 HydrophobicContact CD1-CD2 3.64Å; V104-L197 HydrophobicContact CG1-CB 3.96Å; V104-L197 HydrophobicContact CG2-CB 4.25Å; M108-L197 HydrophobicContact CG-CD1 4.11Å; M108-L197 HydrophobicContact SD-CD1 4.02Å; I193-L197 HydrophobicContact CG2-CD1 4.18Å; I193-L197 HydrophobicContact CG2-CG 4.47Å; I193-L197 WeakPolarHBondContact O-CG 3.43Å; I193-L197 PolarHBondContact O-N 3.22Å; F194-L197 WeakPolarHBondContact O-CB 3.42Å; F194-L197 PolarHBondContact O-N 2.77Å
198L95.8Very high94.8Very high34 Ų3426 Ų2618%0.17815%0.149CC..Hα-helixtrans-74.5-43.1176.6-64.9170.9000111.7V104 F194 G195 E196 V282 T285 A289V104-L198 HydrophobicContact CG1-CD2 4.04Å; F194-L198 HydrophobicContact CD2-CD1 4.08Å; F194-L198 HydrophobicContact CD2-CG 4.1Å; F194-L198 HydrophobicContact CE1-CD1 4.29Å; F194-L198 HydrophobicContact CE2-CD1 3.8Å; F194-L198 HydrophobicContact CE2-CD2 3.91Å; F194-L198 HydrophobicContact CE2-CG 3.88Å; F194-L198 HydrophobicContact CG-CD1 4.45Å; F194-L198 HydrophobicContact CZ-CD1 3.92Å; F194-L198 HydrophobicContact CZ-CD2 4.44Å; F194-L198 HydrophobicContact CZ-CG 4.46Å; F194-L198 WeakPolarHBondContact O-CG 3.42Å; F194-L198 PolarHBondContact O-N 2.97Å; F194-L198 VanDerWaalsContact O-N 3.08Å; G195-L198 PolarHBondContact O-N 2.88Å; E196-L198 VanDerWaalsContact C-N 3.27Å; E196-L198 PolarHBondContact O-N 3.45Å; L198-V282 HydrophobicContact CB-CB 4.48Å; L198-V282 HydrophobicContact CB-CG1 4.08Å; L198-V282 HydrophobicContact CD1-CB 4.39Å; L198-V282 HydrophobicContact CD1-CG1 4.09Å; L198-T285 HydrophobicContact CB-CG2 3.98Å; L198-T285 HydrophobicContact CD1-CG2 4.19Å; L198-T285 HydrophobicContact CD2-CG2 3.8Å; L198-T285 HydrophobicContact CG-CG2 4.18Å; L198-A289 HydrophobicContact CD1-CB 4.44Å; L198-A289 HydrophobicContact CD2-CB 4.45Å
199N92.8Very high94.2Very high43 Ų4328.4 Ų28.423%0.2316%0.162CC..Hα-helixtrans-92.2-9.1-174.7-74.6-4.6000114.5G195 E196 S201 I281 V282G195-N199 WeakPolarHBondContact O-CB 3.31Å; G195-N199 PolarHBondContact O-N 3.3Å; E196-N199 PolarHBondContact O-N 3.21Å; N199-S201 PolarHBondContact O-N 2.82Å; N199-S201 PolarHBondContact O-OG 2.96Å; N199-I281 PolarHBondContact ND2-O 2.87Å; N199-I281 PolarHBondContact OD1-O 3.02Å; N199-V282 WeakPolarHBondContact OD1-CA 3.38Å; N199-V282 WeakPolarHBondContact OD1-CG1 3.2Å
200S91.3Very high93.7Very high51 Ų5132.7 Ų32.736%0.35718%0.183SC..SBendtrans5616.8-168-50.90000113.6E196E196-S200 WeakPolarHBondContact O-CA 3.46Å; E196-S200 PolarHBondContact O-N 3.05Å
201S91Very high93.3Very high60 Ų6036.2 Ų36.242%0.4220%0.2SC..SBendtrans-152.2146.9-177.555.80000110.7E196 N199E196-S201 WeakPolarHBondContact CA-O 3.45Å; E196-S201 PolarHBondContact O-N 3.13Å; N199-S201 PolarHBondContact O-N 2.82Å; N199-S201 PolarHBondContact O-OG 2.96Å
202P94.1Very high93Very high35 Ų3536.2 Ų36.223%0.22720%0.2CC..  trans-61.4136.9-175.4-19.529.2000112.6W168 P205W168-P202 HydrophobicContact CD2-CB 4.25Å; W168-P202 HydrophobicContact CD2-CG 4.37Å; W168-P202 HydrophobicContact CE3-CB 3.65Å; W168-P202 HydrophobicContact CE3-CG 3.42Å; W168-P202 VanDerWaalsContact CE3-CG 3.42Å; W168-P202 HydrophobicContact CH2-CG 4.15Å; W168-P202 HydrophobicContact CZ3-CB 4.07Å; W168-P202 HydrophobicContact CZ3-CG 3.31Å; P202-P205 HydrophobicContact CB-CB 4.33Å
203L93.3Very high92.6Very high22 Ų2236.2 Ų36.212%0.11520%0.2CC..SBendtrans-65.8-39.1178-74.1-172000113.6I281 L297L203-I281 HydrophobicContact CD2-CG2 3.72Å; L203-L297 HydrophobicContact CD1-CD1 3.73Å
204F95.4Very high92.2Very high2 Ų238.2 Ų38.21%0.00921%0.213CC..  trans-132.277.6-172.8-50.7-58.7000110.6W168 W188 G206 Q212 C215 V216 V219 L297W168-F204 VanDerWaalsContact CA-O 3.26Å; W168-F204 WeakPolarHBondContact CA-O 3.28Å; W168-F204 VanDerWaalsContact CB-O 3.31Å; W168-F204 WeakPolarHBondContact CB-O 3.1Å; W188-F204 HydrophobicContact CH2-CE2 4.43Å; W188-F204 HydrophobicContact CZ2-CD2 4.27Å; W188-F204 AromaticContact CZ2-CE2 3.83Å; W188-F204 HydrophobicContact CZ2-CE2 3.83Å; W188-F204 HydrophobicContact CZ2-CZ 4.5Å; F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 3.3Å; F204-G206 VanDerWaalsContact O-N 3.12Å; F204-Q212 PolarHBondContact O-NE2 3.17Å; F204-Q212 PolarHBondContact O-OE1 2.91Å; F204-C215 HydrophobicContact CB-CB 3.99Å; F204-C215 HydrophobicContact CD1-CB 4.21Å; F204-V216 HydrophobicContact CB-CG2 4.4Å; F204-V216 HydrophobicContact CD1-CG2 4.17Å; F204-V216 HydrophobicContact CD2-CG2 4.12Å; F204-V216 HydrophobicContact CE2-CG2 4.46Å; F204-V216 HydrophobicContact CG-CG2 3.97Å; F204-V219 HydrophobicContact CD1-CG2 4.45Å; F204-V219 HydrophobicContact CE1-CB 3.83Å; F204-V219 HydrophobicContact CE1-CG1 4.24Å; F204-V219 HydrophobicContact CE1-CG2 3.79Å; F204-L297 HydrophobicContact CE2-CD1 4.34Å; F204-L297 HydrophobicContact CE2-CD2 4.22Å; F204-L297 HydrophobicContact CZ-CD1 4.24Å
205P93.6Very high91.9Very high67 Ų6739.5 Ų39.544%0.43522%0.221SC..  trans-86.859.2-174.735.5-36.1000113W168 P202W168-P205 VanDerWaalsContact CD1-CA 3.45Å; W168-P205 HydrophobicContact CD2-CB 4.33Å; W168-P205 HydrophobicContact CZ2-CB 4.18Å; P202-P205 HydrophobicContact CB-CB 4.33Å
206G90.8Very high91.8Very high3 Ų339.5 Ų39.53%0.03122%0.221CC..  trans-76.9142.1177.900000113.3W168 F204W168-G206 PolarHBondContact NE1-O 3.25Å; W168-G206 VanDerWaalsContact NE1-O 3.17Å; F204-G206 VanDerWaalsContact C-N 3.33Å; F204-G206 PolarHBondContact O-N 3.3Å; F204-G206 VanDerWaalsContact O-N 3.12Å
207E86.1Confident91.5Very high158 Ų15839.1 Ų39.174%0.73822%0.22SC*.SBendtrans-83.8-28.3-178.3-54-170156.700112.6E211E207-E211 VanDerWaalsContact CB-OE2 3.22Å; E207-E211 WeakPolarHBondContact CB-OE2 3.02Å; E207-E211 WeakPolarHBondContact CG-OE2 3.44Å; E207-E211 PolarHBondContact N-OE2 2.88Å
208N85.9Confident91.2Very high50 Ų5047 Ų4727%0.26725%0.249SC..SBendtrans-135.7174.6176.660.167.5000111.2I210 E211 Q212N208-I210 VanDerWaalsContact C-N 3.26Å; N208-I210 PolarHBondContact O-N 3.17Å; N208-I210 WeakPolarHBondContact OD1-CB 3.27Å; N208-I210 PolarHBondContact OD1-N 2.86Å; N208-I210 VanDerWaalsContact OD1-N 3.12Å; N208-E211 PolarHBondContact ND2-OE1 2.93Å; N208-E211 PolarHBondContact O-N 3.33Å; N208-E211 PolarHBondContact OD1-N 3.3Å; N208-Q212 VanDerWaalsContact O-CB 3.25Å; N208-Q212 WeakPolarHBondContact O-CB 3.26Å; N208-Q212 PolarHBondContact O-N 3.16Å
209D86.7Confident90.9Very high50 Ų5046 Ų4627%0.26725%0.245SC..Hα-helixtrans-63.7-32.1-174.7-67.6-44.1000112.6R167 R170 L175 L213R167-D209 WeakPolarHBondContact CD-OD1 3.26Å; R167-D209 IonicContact NE-OD1 3.59Å; R167-D209 PolarHBondContact NE-OD1 3.43Å; R167-D209 IonicContact NE-OD2 2.71Å; R170-D209 IonicContact CZ-OD1 2.74Å; R170-D209 IonicContact NH1-OD1 3.42Å; R170-D209 PolarHBondContact NH1-OD1 2.88Å; R170-D209 IonicContact NH1-OD2 3.51Å; L175-D209 HydrophobicContact CD2-CB 4.14Å; D209-L213 WeakPolarHBondContact O-CB 3.33Å; D209-L213 PolarHBondContact O-N 3.45Å; D209-L213 VanDerWaalsContact O-N 3.12Å
210I87.4Confident90.9Very high95 Ų9545.2 Ų45.249%0.48724%0.24SC..Hα-helixtrans-72-47.7177.7-60.1175.1000110N208 Q212 L213 C214 F270N208-I210 VanDerWaalsContact C-N 3.26Å; N208-I210 PolarHBondContact O-N 3.17Å; N208-I210 WeakPolarHBondContact OD1-CB 3.27Å; N208-I210 PolarHBondContact OD1-N 2.86Å; N208-I210 VanDerWaalsContact OD1-N 3.12Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 3.39Å; I210-C214 PolarHBondContact O-N 3.27Å; I210-C214 PolarHBondContact O-SG 3.37Å; I210-C214 VanDerWaalsContact O-SG 3.41Å; I210-F270 HydrophobicContact CG2-CE1 4.3Å; I210-F270 HydrophobicContact CG2-CZ 4.34Å
211E89.9Confident90.8Very high74 Ų7442.9 Ų42.935%0.34622%0.224SC..Hα-helixtrans-64.8-38.7176.7-77.5175.1-148.400112.8E207 N208 L213 C214 C215E207-E211 VanDerWaalsContact CB-OE2 3.22Å; E207-E211 WeakPolarHBondContact CB-OE2 3.02Å; E207-E211 WeakPolarHBondContact CG-OE2 3.44Å; E207-E211 PolarHBondContact N-OE2 2.88Å; N208-E211 PolarHBondContact ND2-OE1 2.93Å; N208-E211 PolarHBondContact O-N 3.33Å; N208-E211 PolarHBondContact OD1-N 3.3Å; E211-L213 VanDerWaalsContact C-N 3.25Å; E211-L213 PolarHBondContact O-N 3.42Å; E211-C214 VanDerWaalsContact O-CB 3.3Å; E211-C214 WeakPolarHBondContact O-CB 3.39Å; E211-C214 PolarHBondContact O-N 3.23Å; E211-C214 VanDerWaalsContact O-N 3.14Å; E211-C215 PolarHBondContact O-N 3.25Å; E211-C215 PolarHBondContact O-SG 3.45Å; E211-C215 VanDerWaalsContact O-SG 3.35Å
212Q92.6Very high90.6Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-58-44.6174.1-17663.729.500110.4R167 W168 L175 F204 N208 I210 C215 V216R167-Q212 HydrophobicContact CB-CG 4.39Å; R167-Q212 PolarHBondContact O-NE2 2.92Å; W168-Q212 PolarHBondContact O-NE2 3.48Å; W168-Q212 VanDerWaalsContact O-NE2 3.15Å; L175-Q212 HydrophobicContact CD1-CB 4.16Å; L175-Q212 HydrophobicContact CD1-CG 3.6Å; L175-Q212 HydrophobicContact CD2-CB 3.95Å; L175-Q212 HydrophobicContact CD2-CG 3.81Å; L175-Q212 HydrophobicContact CG-CG 4.35Å; F204-Q212 PolarHBondContact O-NE2 3.17Å; F204-Q212 PolarHBondContact O-OE1 2.91Å; N208-Q212 VanDerWaalsContact O-CB 3.25Å; N208-Q212 WeakPolarHBondContact O-CB 3.26Å; N208-Q212 PolarHBondContact O-N 3.16Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; Q212-C215 WeakPolarHBondContact O-CB 3.41Å; Q212-C215 PolarHBondContact O-N 3.43Å; Q212-V216 WeakPolarHBondContact O-CG2 3.31Å; Q212-V216 PolarHBondContact O-N 3.01Å; Q212-V216 VanDerWaalsContact O-N 3.13Å
213L90.3Very high90.1Very high2 Ų240.3 Ų40.31%0.0121%0.206CC..Hα-helixtrans-64.5-43.9175.6-175.757000111.1L175 Y176 D209 I210 E211 C215 V216 L217 F270L175-L213 HydrophobicContact CB-CB 4.43Å; L175-L213 HydrophobicContact CB-CD1 4.49Å; L175-L213 HydrophobicContact CD1-CB 4.22Å; L175-L213 HydrophobicContact CD1-CD1 4.43Å; Y176-L213 HydrophobicContact CD1-CD2 4.02Å; Y176-L213 HydrophobicContact CD2-CD1 4.3Å; Y176-L213 HydrophobicContact CE1-CD2 3.51Å; Y176-L213 HydrophobicContact CE2-CD1 3.64Å; Y176-L213 HydrophobicContact CE2-CD2 4.06Å; Y176-L213 HydrophobicContact CE2-CG 4.48Å; Y176-L213 HydrophobicContact CG-CD2 4.5Å; D209-L213 WeakPolarHBondContact O-CB 3.33Å; D209-L213 PolarHBondContact O-N 3.45Å; D209-L213 VanDerWaalsContact O-N 3.12Å; I210-L213 WeakPolarHBondContact O-CB 3.47Å; I210-L213 PolarHBondContact O-N 3.39Å; E211-L213 VanDerWaalsContact C-N 3.25Å; E211-L213 PolarHBondContact O-N 3.42Å; L213-C215 VanDerWaalsContact C-N 3.31Å; L213-C215 PolarHBondContact O-N 2.98Å; L213-V216 PolarHBondContact O-N 3.14Å; L213-V216 VanDerWaalsContact O-N 3.13Å; L213-L217 HydrophobicContact CD1-CD2 4.29Å; L213-L217 HydrophobicContact CD1-CG 4.2Å; L213-L217 HydrophobicContact CG-CD1 4.32Å; L213-L217 HydrophobicContact CG-CG 4.31Å; L213-L217 VanDerWaalsContact O-CG 3.29Å; L213-L217 WeakPolarHBondContact O-CG 3.42Å; L213-L217 PolarHBondContact O-N 3.36Å; L213-F270 HydrophobicContact CB-CZ 4.32Å; L213-F270 HydrophobicContact CD2-CE2 3.44Å; L213-F270 VanDerWaalsContact CD2-CE2 3.44Å; L213-F270 HydrophobicContact CD2-CZ 3.67Å; L213-F270 HydrophobicContact CG-CE2 3.9Å; L213-F270 HydrophobicContact CG-CZ 3.92Å
214C89.9Confident89.5Confident42 Ų4242.5 Ų42.528%0.28422%0.22SC..Hα-helixtrans-53.4-45.1172.7-73.40000112.6I210 E211 V216 L217 R218 F270I210-C214 PolarHBondContact O-N 3.27Å; I210-C214 PolarHBondContact O-SG 3.37Å; I210-C214 VanDerWaalsContact O-SG 3.41Å; E211-C214 VanDerWaalsContact O-CB 3.3Å; E211-C214 WeakPolarHBondContact O-CB 3.39Å; E211-C214 PolarHBondContact O-N 3.23Å; E211-C214 VanDerWaalsContact O-N 3.14Å; C214-V216 VanDerWaalsContact C-N 3.35Å; C214-L217 PolarHBondContact O-N 3.22Å; C214-R218 WeakPolarHBondContact O-CB 3.5Å; C214-R218 PolarHBondContact O-N 3.29Å; C214-F270 WeakPolarHBondContact SG-CE1 3.31Å
215C92.7Very high88.4Confident26 Ų2650 Ų5018%0.17625%0.248CC..Hα-helixtrans-60.3-45.2177.6-700000111.4F204 E211 Q212 L213 R218 V219F204-C215 HydrophobicContact CB-CB 3.99Å; F204-C215 HydrophobicContact CD1-CB 4.21Å; E211-C215 PolarHBondContact O-N 3.25Å; E211-C215 PolarHBondContact O-SG 3.45Å; E211-C215 VanDerWaalsContact O-SG 3.35Å; Q212-C215 WeakPolarHBondContact O-CB 3.41Å; Q212-C215 PolarHBondContact O-N 3.43Å; L213-C215 VanDerWaalsContact C-N 3.31Å; L213-C215 PolarHBondContact O-N 2.98Å; C215-R218 PolarHBondContact O-N 3.03Å; C215-V219 PolarHBondContact O-N 3.26Å
216V94.1Very high87.4Confident0 Ų053.6 Ų53.60%026%0.259CS..Hα-helixtrans-62.6-49.2177.6172.60000111.1P172 W188 F204 Q212 L213 C214 R218 V219 L220 Y299P172-V216 HydrophobicContact CB-CG1 4.5Å; W188-V216 HydrophobicContact CH2-CG1 3.66Å; W188-V216 HydrophobicContact CH2-CG2 4.37Å; W188-V216 HydrophobicContact CZ2-CG1 3.9Å; W188-V216 HydrophobicContact CZ2-CG2 3.75Å; F204-V216 HydrophobicContact CB-CG2 4.4Å; F204-V216 HydrophobicContact CD1-CG2 4.17Å; F204-V216 HydrophobicContact CD2-CG2 4.12Å; F204-V216 HydrophobicContact CE2-CG2 4.46Å; F204-V216 HydrophobicContact CG-CG2 3.97Å; Q212-V216 WeakPolarHBondContact O-CG2 3.31Å; Q212-V216 PolarHBondContact O-N 3.01Å; Q212-V216 VanDerWaalsContact O-N 3.13Å; L213-V216 PolarHBondContact O-N 3.14Å; L213-V216 VanDerWaalsContact O-N 3.13Å; C214-V216 VanDerWaalsContact C-N 3.35Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.49Å; V216-V219 PolarHBondContact O-N 2.97Å; V216-L220 HydrophobicContact CG1-CD1 4.17Å; V216-L220 PolarHBondContact O-N 3Å; V216-Y299 HydrophobicContact CG1-CE1 4.16Å
217L91.3Very high86.6Confident3 Ų355.5 Ų55.52%0.01627%0.272CS..Hα-helixtrans-61.7-40.4-179.8-65.1-171.1000111.6L213 C214 V219 G221 P223 F270 N273 Y299L213-L217 HydrophobicContact CD1-CD2 4.29Å; L213-L217 HydrophobicContact CD1-CG 4.2Å; L213-L217 HydrophobicContact CG-CD1 4.32Å; L213-L217 HydrophobicContact CG-CG 4.31Å; L213-L217 VanDerWaalsContact O-CG 3.29Å; L213-L217 WeakPolarHBondContact O-CG 3.42Å; L213-L217 PolarHBondContact O-N 3.36Å; C214-L217 PolarHBondContact O-N 3.22Å; L217-V219 PolarHBondContact O-N 2.96Å; L217-G221 CarbonylContact O-C 3.57Å; L217-G221 WeakPolarHBondContact O-CA 3.34Å; L217-G221 PolarHBondContact O-N 3.5Å; L217-P223 VanDerWaalsContact CD2-CD 3.48Å; L217-P223 HydrophobicContact CD2-CG 4.13Å; L217-F270 HydrophobicContact CD1-CB 3.74Å; L217-F270 HydrophobicContact CD1-CD1 4.05Å; L217-F270 HydrophobicContact CD1-CD2 3.32Å; L217-F270 HydrophobicContact CD1-CE2 3.86Å; L217-F270 HydrophobicContact CD1-CG 3.4Å; L217-F270 VanDerWaalsContact CD1-CG 3.4Å; L217-F270 HydrophobicContact CD1-CZ 4.42Å; L217-N273 PolarHBondContact O-ND2 3.37Å; L217-N273 PolarHBondContact O-OD1 3.34Å; L217-Y299 HydrophobicContact CD2-CE1 4.31Å; L217-Y299 WeakPolarHBondContact CD2-OH 3.41Å
218R89.6Confident86Confident169 Ų16948.6 Ų48.664%0.63824%0.239SC*.Hα-helixtrans-56.2-35.2178.8-172.9177.6-61.9172.52.5112.6C214 C215 V216 I276C214-R218 WeakPolarHBondContact O-CB 3.5Å; C214-R218 PolarHBondContact O-N 3.29Å; C215-R218 PolarHBondContact O-N 3.03Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.49Å; R218-I276 WeakPolarHBondContact O-CD1 3.48Å
219V90.9Very high85.1Confident14 Ų1448.5 Ų48.59%0.08524%0.241CC..Hα-helixtrans-89.1-52.8179.9174.30000111.5F204 C215 V216 L217 G221 I276 L278 I281F204-V219 HydrophobicContact CD1-CG2 4.45Å; F204-V219 HydrophobicContact CE1-CB 3.83Å; F204-V219 HydrophobicContact CE1-CG1 4.24Å; F204-V219 HydrophobicContact CE1-CG2 3.79Å; C215-V219 PolarHBondContact O-N 3.26Å; V216-V219 PolarHBondContact O-N 2.97Å; L217-V219 PolarHBondContact O-N 2.96Å; V219-G221 VanDerWaalsContact C-N 3.31Å; V219-G221 PolarHBondContact O-N 3.29Å; V219-I276 PolarHBondContact O-N 3.12Å; V219-L278 HydrophobicContact CG1-CD2 3.65Å; V219-I281 HydrophobicContact CG1-CD1 4.24Å; V219-I281 HydrophobicContact CG1-CG1 3.86Å; V219-I281 HydrophobicContact CG2-CD1 3.99Å; V219-I281 HydrophobicContact CG2-CG1 4.46Å
220L92Very high83.7Confident27 Ų2747.3 Ų47.314%0.14124%0.236CC..Hα-helixtrans-84.6-2.3-173.7-65.1-171000114.4W188 V216 A275 L297 Y299W188-L220 HydrophobicContact CH2-CD1 3.53Å; W188-L220 HydrophobicContact CZ3-CD1 3.77Å; V216-L220 HydrophobicContact CG1-CD1 4.17Å; V216-L220 PolarHBondContact O-N 3Å; L220-A275 WeakPolarHBondContact O-CB 3.27Å; L220-L297 HydrophobicContact CD2-CB 4.38Å; L220-Y299 HydrophobicContact CB-CE2 3.71Å; L220-Y299 WeakPolarHBondContact CB-OH 3.47Å; L220-Y299 HydrophobicContact CD1-CE1 4.44Å; L220-Y299 HydrophobicContact CD1-CE2 4.32Å
221G89.8Confident81.8Confident2 Ų252 Ų522%0.02125%0.248CC..  trans79170.7-173.200000112.4L217 V219 N273 Y299L217-G221 CarbonylContact O-C 3.57Å; L217-G221 WeakPolarHBondContact O-CA 3.34Å; L217-G221 PolarHBondContact O-N 3.5Å; V219-G221 VanDerWaalsContact C-N 3.31Å; V219-G221 PolarHBondContact O-N 3.29Å; G221-N273 CarbonylContact C-O 3.59Å; G221-N273 VanDerWaalsContact CA-O 3.25Å; G221-N273 WeakPolarHBondContact CA-O 2.99Å; G221-Y299 PolarHBondContact O-OH 2.98Å
222T86.9Confident79.3Confident33 Ų3353.7 Ų53.720%0.20226%0.263CS..SBendtrans-71.8133.7171.2-59.30000110T224 K271 E272 N273T222-T224 PolarHBondContact O-N 3.37Å; T222-K271 PolarHBondContact OG1-O 2.73Å; T222-E272 WeakPolarHBondContact OG1-CA 3.12Å; T222-N273 PolarHBondContact N-O 3.01Å; T222-N273 PolarHBondContact N-OD1 2.85Å; T222-N273 PolarHBondContact OG1-N 2.9Å; T222-N273 VanDerWaalsContact OG1-N 3.15Å; T222-N273 PolarHBondContact OG1-OD1 2.93Å
223P83.9Confident76.7Confident8 Ų857.9 Ų57.95%0.05229%0.288CS..  trans-57.8130.4178.1-24.930.6000112.2L217 W228 M259 Y299L217-P223 VanDerWaalsContact CD2-CD 3.48Å; L217-P223 HydrophobicContact CD2-CG 4.13Å; P223-W228 HydrophobicContact CB-CB 4.06Å; P223-W228 HydrophobicContact CB-CE3 3.98Å; P223-W228 HydrophobicContact CG-CE3 3.91Å; P223-W228 HydrophobicContact CG-CZ3 4.43Å; P223-M259 HydrophobicContact CB-SD 3.62Å; P223-Y299 HydrophobicContact CB-CE2 4.48Å; P223-Y299 HydrophobicContact CG-CD1 4.17Å; P223-Y299 HydrophobicContact CG-CD2 4.35Å; P223-Y299 HydrophobicContact CG-CE1 3.8Å; P223-Y299 HydrophobicContact CG-CE2 4Å; P223-Y299 HydrophobicContact CG-CG 4.44Å
224T79.9Confident74.3Confident67 Ų6763.5 Ų63.541%0.41133%0.325SS..  trans-109.2171.8171.976.10000109.7T222 E226 S227 W228T222-T224 PolarHBondContact O-N 3.37Å; T224-E226 WeakPolarHBondContact CB-OE2 3.36Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-N 3.49Å; T224-E226 PolarHBondContact OG1-OE2 3.3Å; T224-S227 PolarHBondContact N-OG 3.17Å; T224-S227 PolarHBondContact O-N 3.42Å; T224-S227 PolarHBondContact OG1-N 3.33Å; T224-W228 CarbonylContact O-C 3.57Å; T224-W228 PolarHBondContact O-N 2.86Å
225R72.7Confident71.7Confident159 Ų15969.7 Ų69.760%0.635%0.349SS*.THydrogen-bonded Turntrans-62-24174.5-72.7-176.4176.6-120.51.3112.4P229R225-P229 WeakPolarHBondContact O-CA 3.39Å; R225-P229 WeakPolarHBondContact O-CB 3.3Å
226E72.5Confident69.2Low143 Ų14377 Ų7767%0.66838%0.381SS*.THydrogen-bonded Turntrans-81.4-45.9177.6-58.171.8-152.400111.5T224T224-E226 WeakPolarHBondContact CB-OE2 3.36Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-N 3.49Å; T224-E226 PolarHBondContact OG1-OE2 3.3Å
227S73.9Confident66.3Low44 Ų4482.4 Ų82.431%0.30842%0.419SS..THydrogen-bonded Turntrans-77.7-30.4-178.468.80000112.8T224 P300T224-S227 PolarHBondContact N-OG 3.17Å; T224-S227 PolarHBondContact O-N 3.42Å; T224-S227 PolarHBondContact OG1-N 3.33Å; S227-P300 WeakPolarHBondContact O-CD 3.35Å; S227-P300 WeakPolarHBondContact O-CG 3.2Å
228W73.9Confident63.7Low13 Ų1386.4 Ų86.45%0.04945%0.452CS..SBendtrans-136.685.7172.7-161.5-17.6000111.5P172 E173 Y176 P223 T224 M259 L262 Y299P172-W228 HydrophobicContact CB-CH2 4.21Å; P172-W228 HydrophobicContact CB-CZ3 4.15Å; P172-W228 HydrophobicContact CG-CH2 4.45Å; E173-W228 HydrophobicContact CB-CH2 4.18Å; E173-W228 HydrophobicContact CB-CZ2 4.13Å; Y176-W228 HydrophobicContact CD2-CH2 4.07Å; Y176-W228 HydrophobicContact CD2-CZ3 4.05Å; Y176-W228 HydrophobicContact CE2-CH2 4.44Å; Y176-W228 AromaticContact CE2-CZ3 3.95Å; Y176-W228 HydrophobicContact CE2-CZ3 3.95Å; P223-W228 HydrophobicContact CB-CB 4.06Å; P223-W228 HydrophobicContact CB-CE3 3.98Å; P223-W228 HydrophobicContact CG-CE3 3.91Å; P223-W228 HydrophobicContact CG-CZ3 4.43Å; T224-W228 CarbonylContact O-C 3.57Å; T224-W228 PolarHBondContact O-N 2.86Å; W228-M259 HydrophobicContact CB-SD 3.82Å; W228-M259 HydrophobicContact CD2-CB 4.22Å; W228-M259 HydrophobicContact CD2-CG 4.16Å; W228-M259 HydrophobicContact CD2-SD 4.35Å; W228-M259 HydrophobicContact CE3-CG 4.38Å; W228-M259 HydrophobicContact CE3-SD 4.46Å; W228-M259 HydrophobicContact CG-CB 4.07Å; W228-M259 HydrophobicContact CG-CG 4.25Å; W228-M259 HydrophobicContact CG-SD 4.09Å; W228-L262 HydrophobicContact CH2-CD1 3.83Å; W228-L262 HydrophobicContact CZ2-CD1 3.76Å; W228-Y299 HydrophobicContact CD2-CD1 4.36Å; W228-Y299 HydrophobicContact CD2-CG 4.25Å; W228-Y299 AromaticContact CE3-CD1 3.38Å; W228-Y299 HydrophobicContact CE3-CD1 3.38Å; W228-Y299 HydrophobicContact CE3-CE1 4.26Å; W228-Y299 AromaticContact CE3-CG 3.62Å; W228-Y299 HydrophobicContact CE3-CG 3.62Å; W228-Y299 HydrophobicContact CH2-CD1 4.45Å; W228-Y299 AromaticContact CZ3-CD1 3.45Å; W228-Y299 HydrophobicContact CZ3-CD1 3.45Å; W228-Y299 VanDerWaalsContact CZ3-CD1 3.45Å; W228-Y299 HydrophobicContact CZ3-CE1 4.18Å; W228-Y299 HydrophobicContact CZ3-CG 4.15Å
229P67.1Low61.1Low47 Ų4787.1 Ų87.131%0.30546%0.463SS..PPolyproline II helixtrans-65.5141-174.123.4-32.8000113.8R225R225-P229 WeakPolarHBondContact O-CA 3.39Å; R225-P229 WeakPolarHBondContact O-CB 3.3Å
230V56.4Low58.6Low26 Ų2695 Ų9516%0.15850%0.498CS..PPolyproline II helixtrans-103.2123.8169.3174.10000106.9T232 M259 V260V230-T232 PolarHBondContact O-N 2.92Å; V230-M259 HydrophobicContact CG2-CB 3.78Å; V230-M259 HydrophobicContact CG2-CE 3.9Å; V230-V260 HydrophobicContact CB-CG2 4.32Å; V230-V260 HydrophobicContact CG1-CB 4.4Å; V230-V260 HydrophobicContact CG1-CG1 4.27Å; V230-V260 HydrophobicContact CG1-CG2 3.31Å; V230-V260 HydrophobicContact CG2-CB 4.44Å; V230-V260 HydrophobicContact CG2-CG1 3.89Å; V230-V260 HydrophobicContact CG2-CG2 4.03Å
231R48.3Very low55.7Low194 Ų194100.5 Ų100.573%0.73253%0.533SS*.PPolyproline II helixtrans-62.4118.2159.3-73.2163.995.6171.36.7106.5T233 E258R231-T233 PolarHBondContact O-N 2.98Å; R231-T233 VanDerWaalsContact O-N 3.13Å; R231-E258 WeakPolarHBondContact CA-OE2 3.48Å; R231-E258 VanDerWaalsContact CB-CD 3.48Å; R231-E258 WeakPolarHBondContact CB-OE1 3.3Å; R231-E258 WeakPolarHBondContact CB-OE2 3.38Å; R231-E258 WeakPolarHBondContact CD-OE1 3.45Å; R231-E258 WeakPolarHBondContact CG-OE1 3.44Å; R231-E258 PolarHBondContact N-OE1 2.99Å; R231-E258 PolarHBondContact N-OE2 3.22Å
232T37.7Very low53.2Low108 Ų108109 Ų10966%0.66357%0.572SS**  trans-61.2108.6145.740.60000106.6V230V230-T232 PolarHBondContact O-N 2.92Å
233T37.7Very low50.5Low88 Ų88113 Ų11354%0.5460%0.601SS.*  trans-55.3134.5150.646.90000105.7R231 H235R231-T233 PolarHBondContact O-N 2.98Å; R231-T233 VanDerWaalsContact O-N 3.13Å; T233-H235 VanDerWaalsContact C-N 3.29Å; T233-H235 PolarHBondContact O-N 3.11Å
234P39.3Very low48.4Very low120 Ų120123.7 Ų123.778%0.77964%0.641SS**  trans-61.8105169.63.46.2000105.2H236P234-H236 PolarHBondContact O-N 3.3Å
235H36Very low46.2Very low172 Ų172127.5 Ų127.580%0.79666%0.664SS**  trans-53.2121.2165.2-87.3-72.5000105.9T233 S237T233-H235 VanDerWaalsContact C-N 3.29Å; T233-H235 PolarHBondContact O-N 3.11Å; H235-S237 VanDerWaalsContact C-N 3.33Å; H235-S237 PolarHBondContact O-N 2.58Å
236H39Very low44.8Very low181 Ų181131.9 Ų131.984%0.83868%0.68SS**  trans-49.4100.2168.2-74.4-86.3000108.6P234 A238P234-H236 PolarHBondContact O-N 3.3Å; H236-A238 PolarHBondContact O-N 3.2Å
237S34.6Very low42.7Very low113 Ų113131.2 Ų131.279%0.7969%0.687SS**  trans-65.985.2144.755.30000105.3H235 E239H235-S237 VanDerWaalsContact C-N 3.33Å; H235-S237 PolarHBondContact O-N 2.58Å; S237-E239 PolarHBondContact O-N 2.84Å
238A35Very low41.2Very low87 Ų87141.5 Ų141.572%0.71972%0.719SS**  trans-71.880169.400000107.9H236H236-A238 PolarHBondContact O-N 3.2Å
239E36Very low39.2Very low183 Ų183146.7 Ų146.786%0.85575%0.752SS**  trans-89.5122147.1-76.2-173.6166.200107.2S237 T241S237-E239 PolarHBondContact O-N 2.84Å; E239-T241 PolarHBondContact O-N 3.25Å
240H38.4Very low37.8Very low180 Ų180149.6 Ų149.683%0.83377%0.773SS**  trans-53.4130.1175.5-75.5-85.4000111.5
241T31.3Very low36.8Very low143 Ų143153.1 Ų153.188%0.87781%0.805SS**  -175.9149.812120.60000112.4E239E239-T241 PolarHBondContact O-N 3.25Å
242E37.4Very low36.3Very low181 Ų181153.3 Ų153.385%0.84681%0.812SS**  trans-72.6149.9-165-57.8169.8137.900115
243S30.7Very low36.3Very low115 Ų115152.1 Ų152.180%0.80481%0.808SS**  155.8134.7109.661.30000114.5
244R39.8Very low36.4Very low234 Ų234153.6 Ų153.688%0.88382%0.819SS**  trans-7.6133.9164.4-69.9165.7157.2167.3-6.6119.4
245T32Very low36.5Very low147 Ų147153 Ų15390%0.90281%0.808SS**  -175.6147.8104.526.10000112.3
246R43.7Very low37.2Very low250 Ų250148.1 Ų148.194%0.94379%0.788SS**  trans-76.4135.7180-83.8172162.7161.7-5.4111.5
247T29.5Very low37.8Very low130 Ų130141.5 Ų141.580%0.79876%0.757SS**  trans-142.9126.8144.819.10000109.8T249T247-T249 PolarHBondContact O-N 3.13Å
248R42.1Very low39.2Very low260 Ų260136.8 Ų136.898%0.98172%0.723SS**  trans-67.1109.2170.3-77.7163.691.7159.73107.9
249T30.8Very low40.5Very low121 Ų121133.1 Ų133.174%0.74269%0.691SS**  trans-122.7132.1161.43.80000107.3T247 A251T247-T249 PolarHBondContact O-N 3.13Å; T249-A251 PolarHBondContact O-N 3.32Å
250S38.9Very low41.4Very low109 Ų109127.4 Ų127.476%0.76267%0.669SS**  trans-48.8112.4-179.355.30000110.6F252S250-F252 PolarHBondContact O-N 2.98Å; S250-F252 VanDerWaalsContact O-N 3.16Å
251A34.7Very low42.6Very low100 Ų100123.8 Ų123.883%0.82665%0.652SS**  trans-66116.8-179.900000109.4T249T249-A251 PolarHBondContact O-N 3.32Å
252F38.6Very low44.1Very low198 Ų198117.3 Ų117.387%0.86861%0.612SS**  trans-45.4135.9166.1-89.1-106.8000110.7S250S250-F252 PolarHBondContact O-N 2.98Å; S250-F252 VanDerWaalsContact O-N 3.16Å
253S37Very low45.7Very low83 Ų83110.8 Ų110.858%0.5859%0.585SS**  trans-54.6122.9175.4179.10000111.5L255S253-L255 PolarHBondContact O-N 2.71Å; S253-L255 VanDerWaalsContact OG-CD1 3.31Å; S253-L255 WeakPolarHBondContact OG-CD1 3.5Å; S253-L255 WeakPolarHBondContact OG-CG 3.4Å
254P40.4Very low47.6Very low119 Ų119107.7 Ų107.777%0.77356%0.56SS**  trans-8657.9177.835.2-33.1000110.5
255L40.2Very low48.8Very low106 Ų10698.7 Ų98.756%0.55553%0.526SS*.  trans-118.8103.3178.5-66174.1000108.2K180 S253K180-L255 HydrophobicContact CD-CD2 4.06Å; S253-L255 PolarHBondContact O-N 2.71Å; S253-L255 VanDerWaalsContact OG-CD1 3.31Å; S253-L255 WeakPolarHBondContact OG-CD1 3.5Å; S253-L255 WeakPolarHBondContact OG-CG 3.4Å
256L50.5Low50.4Low70 Ų7097.5 Ų97.537%0.36651%0.514SS..  trans171.3132134.4-88.6148000110.2
257Q51.9Low51.5Low43 Ų4392.5 Ų92.520%0.20150%0.499CS..  trans-79.5134179.9-161.6166.33.800109.6E261 L262Q257-E261 WeakPolarHBondContact CA-OE2 3.27Å; Q257-E261 HydrophobicContact CG-CB 3.56Å; Q257-E261 PolarHBondContact NE2-O 3.42Å; Q257-L262 HydrophobicContact CG-CD2 4.14Å
258E64.6Low53.3Low14 Ų1488.8 Ų88.87%0.06547%0.474CS..  trans-101.9169.9179.5-71.8168.817400112.4R231 V260 E261 L262 R302R231-E258 WeakPolarHBondContact CA-OE2 3.48Å; R231-E258 VanDerWaalsContact CB-CD 3.48Å; R231-E258 WeakPolarHBondContact CB-OE1 3.3Å; R231-E258 WeakPolarHBondContact CB-OE2 3.38Å; R231-E258 WeakPolarHBondContact CD-OE1 3.45Å; R231-E258 WeakPolarHBondContact CG-OE1 3.44Å; R231-E258 PolarHBondContact N-OE1 2.99Å; R231-E258 PolarHBondContact N-OE2 3.22Å; E258-V260 VanDerWaalsContact C-N 3.27Å; E258-V260 PolarHBondContact O-N 3.16Å; E258-V260 VanDerWaalsContact O-N 3.11Å; E258-E261 HydrophobicContact CB-CG 4.5Å; E258-E261 PolarHBondContact N-OE2 3.41Å; E258-E261 WeakPolarHBondContact O-CA 3.27Å; E258-E261 WeakPolarHBondContact O-CB 3.33Å; E258-E261 PolarHBondContact O-N 3.06Å; E258-L262 PolarHBondContact O-N 3.2Å; E258-R302 IonicContact OE1-NH2 3.82Å
259M61Low54.6Low10 Ų1082.8 Ų82.85%0.04947%0.467CS..G310 helixtrans-48.4-45.9-170.4-172.2179.372.700113.1P223 W228 V230 E261 L262 Y265P223-M259 HydrophobicContact CB-SD 3.62Å; W228-M259 HydrophobicContact CB-SD 3.82Å; W228-M259 HydrophobicContact CD2-CB 4.22Å; W228-M259 HydrophobicContact CD2-CG 4.16Å; W228-M259 HydrophobicContact CD2-SD 4.35Å; W228-M259 HydrophobicContact CE3-CG 4.38Å; W228-M259 HydrophobicContact CE3-SD 4.46Å; W228-M259 HydrophobicContact CG-CB 4.07Å; W228-M259 HydrophobicContact CG-CG 4.25Å; W228-M259 HydrophobicContact CG-SD 4.09Å; V230-M259 HydrophobicContact CG2-CB 3.78Å; V230-M259 HydrophobicContact CG2-CE 3.9Å; M259-E261 VanDerWaalsContact C-N 3.34Å; M259-E261 PolarHBondContact O-N 2.93Å; M259-L262 PolarHBondContact O-N 3.47Å; M259-Y265 HydrophobicContact CE-CE1 4.04Å; M259-Y265 HydrophobicContact CE-CE2 4.44Å; M259-Y265 WeakPolarHBondContact CE-OH 3.46Å; M259-Y265 HydrophobicContact CG-CD1 4.21Å; M259-Y265 HydrophobicContact CG-CD2 3.68Å; M259-Y265 HydrophobicContact CG-CE1 3.85Å; M259-Y265 HydrophobicContact CG-CE2 3.27Å; M259-Y265 HydrophobicContact CG-CG 4.15Å; M259-Y265 VanDerWaalsContact O-CB 3.28Å; M259-Y265 WeakPolarHBondContact O-CB 3.49Å; M259-Y265 WeakPolarHBondContact O-CD1 3.47Å; M259-Y265 HydrophobicContact SD-CE1 4.29Å; M259-Y265 HydrophobicContact SD-CE2 3.65Å; M259-Y265 PolarHBondContact SD-OH 3.37Å
260V56.4Low56.6Low63 Ų6379.2 Ų79.238%0.38244%0.441SS..G310 helixtrans-75.8-17.2177.9-700000114.9V230 E258V230-V260 HydrophobicContact CB-CG2 4.32Å; V230-V260 HydrophobicContact CG1-CB 4.4Å; V230-V260 HydrophobicContact CG1-CG1 4.27Å; V230-V260 HydrophobicContact CG1-CG2 3.31Å; V230-V260 HydrophobicContact CG2-CB 4.44Å; V230-V260 HydrophobicContact CG2-CG1 3.89Å; V230-V260 HydrophobicContact CG2-CG2 4.03Å; E258-V260 VanDerWaalsContact C-N 3.27Å; E258-V260 PolarHBondContact O-N 3.16Å; E258-V260 VanDerWaalsContact O-N 3.11Å
261E62.3Low58.5Low104 Ų10483.1 Ų83.149%0.48644%0.444SS..G310 helixtrans-87.5-14.6178.5-60.1-173.5153.700111.5Q257 E258 M259Q257-E261 WeakPolarHBondContact CA-OE2 3.27Å; Q257-E261 HydrophobicContact CG-CB 3.56Å; Q257-E261 PolarHBondContact NE2-O 3.42Å; E258-E261 HydrophobicContact CB-CG 4.5Å; E258-E261 PolarHBondContact N-OE2 3.41Å; E258-E261 WeakPolarHBondContact O-CA 3.27Å; E258-E261 WeakPolarHBondContact O-CB 3.33Å; E258-E261 PolarHBondContact O-N 3.06Å; M259-E261 VanDerWaalsContact C-N 3.34Å; M259-E261 PolarHBondContact O-N 2.93Å
262L63.2Low60.8Low6 Ų686.5 Ų86.53%0.03144%0.443CS..SBendtrans-63.2133.6179.8-67.9169.5000111Y176 A178 W228 Q257 E258 M259 D264 Y265Y176-L262 HydrophobicContact CD2-CD1 4.17Å; Y176-L262 HydrophobicContact CG-CD1 4.15Å; A178-L262 HydrophobicContact CB-CD2 3.59Å; W228-L262 HydrophobicContact CH2-CD1 3.83Å; W228-L262 HydrophobicContact CZ2-CD1 3.76Å; Q257-L262 HydrophobicContact CG-CD2 4.14Å; E258-L262 PolarHBondContact O-N 3.2Å; M259-L262 PolarHBondContact O-N 3.47Å; L262-D264 PolarHBondContact O-N 3.05Å; L262-Y265 PolarHBondContact O-N 3.49Å
263P70.5Confident63.1Low45 Ų4579.1 Ų79.129%0.29241%0.412SS..THydrogen-bonded Turntrans-60.2-29.7-165.5-28.539.6000115Y176 G177 K267Y176-P263 VanDerWaalsContact O-CD 3.28Å; Y176-P263 WeakPolarHBondContact O-CD 3.33Å; G177-P263 WeakPolarHBondContact O-CD 3.44Å; G177-P263 VanDerWaalsContact O-CG 3.29Å; G177-P263 WeakPolarHBondContact O-CG 3.43Å; P263-K267 WeakPolarHBondContact O-CE 3.45Å; P263-K267 PolarHBondContact O-NZ 3.28Å; P263-K267 VanDerWaalsContact O-NZ 3.09Å
264D71.8Confident65.5Low50 Ų5080.5 Ų80.527%0.26742%0.419SS..THydrogen-bonded Turntrans-1140.7-173.6-57.9-42.7000113.7Y176 L262 N266 K267 I268Y176-D264 PolarHBondContact O-N 3.15Å; L262-D264 PolarHBondContact O-N 3.05Å; D264-N266 PolarHBondContact O-N 2.88Å; D264-K267 PolarHBondContact O-N 3.17Å; D264-K267 VanDerWaalsContact O-N 3.12Å; D264-K267 IonicContact OD1-NZ 3.97Å; D264-K267 PolarHBondContact OD1-NZ 2.82Å; D264-I268 HydrophobicContact CB-CD1 4.42Å; D264-I268 PolarHBondContact O-N 3.43Å
265Y64.4Low67.9Low45 Ų4577.8 Ų77.818%0.17641%0.407CS..THydrogen-bonded Turntrans-60.8-44.6-178.4-177.2-94.4000113Y176 M259 L262 K267Y176-Y265 AromaticContact CD1-CD2 3.99Å; Y176-Y265 HydrophobicContact CD1-CD2 3.99Å; Y176-Y265 HydrophobicContact CD2-CD2 4.46Å; Y176-Y265 AromaticContact CE1-CD2 3.62Å; Y176-Y265 HydrophobicContact CE1-CD2 3.62Å; Y176-Y265 HydrophobicContact CE1-CE2 4.37Å; Y176-Y265 HydrophobicContact CE1-CG 4.38Å; Y176-Y265 HydrophobicContact CE2-CD2 4.15Å; Y176-Y265 HydrophobicContact CG-CD2 4.39Å; Y176-Y265 AromaticContact CZ-CD2 3.71Å; M259-Y265 HydrophobicContact CE-CE1 4.04Å; M259-Y265 HydrophobicContact CE-CE2 4.44Å; M259-Y265 WeakPolarHBondContact CE-OH 3.46Å; M259-Y265 HydrophobicContact CG-CD1 4.21Å; M259-Y265 HydrophobicContact CG-CD2 3.68Å; M259-Y265 HydrophobicContact CG-CE1 3.85Å; M259-Y265 HydrophobicContact CG-CE2 3.27Å; M259-Y265 HydrophobicContact CG-CG 4.15Å; M259-Y265 VanDerWaalsContact O-CB 3.28Å; M259-Y265 WeakPolarHBondContact O-CB 3.49Å; M259-Y265 WeakPolarHBondContact O-CD1 3.47Å; M259-Y265 HydrophobicContact SD-CE1 4.29Å; M259-Y265 HydrophobicContact SD-CE2 3.65Å; M259-Y265 PolarHBondContact SD-OH 3.37Å; L262-Y265 PolarHBondContact O-N 3.49Å; Y265-K267 VanDerWaalsContact C-N 3.28Å; Y265-K267 PolarHBondContact O-N 3.12Å
266N66.4Low70.3Confident121 Ų12175.6 Ų75.665%0.64740%0.395SS*.THydrogen-bonded Turntrans-83.81.6178.4-66.5-37.1000113.9D264D264-N266 PolarHBondContact O-N 2.88Å
267K66.9Low72.3Confident146 Ų14675.2 Ų75.264%0.63540%0.397SS*.THydrogen-bonded Turntrans-100-22-179.5-60.5-176.8-165.6151.80112.7P263 D264 Y265P263-K267 WeakPolarHBondContact O-CE 3.45Å; P263-K267 PolarHBondContact O-NZ 3.28Å; P263-K267 VanDerWaalsContact O-NZ 3.09Å; D264-K267 PolarHBondContact O-N 3.17Å; D264-K267 VanDerWaalsContact O-N 3.12Å; D264-K267 IonicContact OD1-NZ 3.97Å; D264-K267 PolarHBondContact OD1-NZ 2.82Å; Y265-K267 VanDerWaalsContact C-N 3.28Å; Y265-K267 PolarHBondContact O-N 3.12Å
268I67.2Low74.1Confident51 Ų5173.8 Ų73.826%0.26239%0.39SS..  trans-121.7109.8-175.6-48.8174.9000107.9D264 F270D264-I268 HydrophobicContact CB-CD1 4.42Å; D264-I268 PolarHBondContact O-N 3.43Å; I268-F270 HydrophobicContact CB-CE2 4.13Å; I268-F270 HydrophobicContact CB-CZ 4.47Å; I268-F270 HydrophobicContact CG2-CD2 4.2Å; I268-F270 HydrophobicContact CG2-CE1 4.1Å; I268-F270 HydrophobicContact CG2-CE2 3.39Å; I268-F270 HydrophobicContact CG2-CZ 3.35Å
269T68.3Low75.5Confident135 Ų13578.2 Ų78.283%0.82841%0.411SS*.  trans-100.2125.9178.1-48.70000109.5
270F73.8Confident77Confident46 Ų4684.1 Ų84.120%0.20244%0.439CS..  trans-104.9154.1172.5-61.9-83.2000110.1I210 L213 C214 L217 I268 E272I210-F270 HydrophobicContact CG2-CE1 4.3Å; I210-F270 HydrophobicContact CG2-CZ 4.34Å; L213-F270 HydrophobicContact CB-CZ 4.32Å; L213-F270 HydrophobicContact CD2-CE2 3.44Å; L213-F270 VanDerWaalsContact CD2-CE2 3.44Å; L213-F270 HydrophobicContact CD2-CZ 3.67Å; L213-F270 HydrophobicContact CG-CE2 3.9Å; L213-F270 HydrophobicContact CG-CZ 3.92Å; C214-F270 WeakPolarHBondContact SG-CE1 3.31Å; L217-F270 HydrophobicContact CD1-CB 3.74Å; L217-F270 HydrophobicContact CD1-CD1 4.05Å; L217-F270 HydrophobicContact CD1-CD2 3.32Å; L217-F270 HydrophobicContact CD1-CE2 3.86Å; L217-F270 HydrophobicContact CD1-CG 3.4Å; L217-F270 VanDerWaalsContact CD1-CG 3.4Å; L217-F270 HydrophobicContact CD1-CZ 4.42Å; I268-F270 HydrophobicContact CB-CE2 4.13Å; I268-F270 HydrophobicContact CB-CZ 4.47Å; I268-F270 HydrophobicContact CG2-CD2 4.2Å; I268-F270 HydrophobicContact CG2-CE1 4.1Å; I268-F270 HydrophobicContact CG2-CE2 3.39Å; I268-F270 HydrophobicContact CG2-CZ 3.35Å; F270-E272 PolarHBondContact O-N 3.05Å
271K79.3Confident78.7Confident190 Ų19083 Ų8383%0.82643%0.43SS*.  trans-65130.7170.1-177.2-178.4176.6-177.20108.4T222 N273T222-K271 PolarHBondContact OG1-O 2.73Å; K271-N273 PolarHBondContact O-N 3.4Å
272E82.4Confident80.1Confident172 Ų17278 Ų7880%0.80441%0.407SS*.  trans-55.3131.1174.4-70.2-176.9179.600110.7T222 F270T222-E272 WeakPolarHBondContact OG1-CA 3.12Å; F270-E272 PolarHBondContact O-N 3.05Å
273N86.2Confident81.1Confident42 Ų4281.3 Ų81.323%0.22543%0.429CS..  trans-138.7139.8178.274.3-69.8000110.4L217 G221 T222 K271L217-N273 PolarHBondContact O-ND2 3.37Å; L217-N273 PolarHBondContact O-OD1 3.34Å; G221-N273 CarbonylContact C-O 3.59Å; G221-N273 VanDerWaalsContact CA-O 3.25Å; G221-N273 WeakPolarHBondContact CA-O 2.99Å; T222-N273 PolarHBondContact N-O 3.01Å; T222-N273 PolarHBondContact N-OD1 2.85Å; T222-N273 PolarHBondContact OG1-N 2.9Å; T222-N273 VanDerWaalsContact OG1-N 3.15Å; T222-N273 PolarHBondContact OG1-OD1 2.93Å; K271-N273 PolarHBondContact O-N 3.4Å
274P87.9Confident81.9Confident112 Ų11287.4 Ų87.473%0.72746%0.459SS*.PPolyproline II helixtrans-67.8154.7173.430.2-34.4000110.5
275A89.9Confident82.8Confident63 Ų6386.6 Ų86.652%0.52146%0.456SS..PPolyproline II helixtrans-69.2143.1170.500000110.5L220L220-A275 WeakPolarHBondContact O-CB 3.27Å
276I90.9Very high84.1Confident60 Ų6086.7 Ų86.731%0.30846%0.463SS..PPolyproline II helixtrans-93130.2170.2-57.9174.7000107.1R218 V219 L278 E280 I281R218-I276 WeakPolarHBondContact O-CD1 3.48Å; V219-I276 PolarHBondContact O-N 3.12Å; I276-L278 PolarHBondContact O-N 3.11Å; I276-E280 HydrophobicContact CG2-CB 3.99Å; I276-I281 HydrophobicContact CB-CD1 4.38Å; I276-I281 HydrophobicContact CG2-CD1 3.91Å; I276-I281 HydrophobicContact CG2-CG1 4.25Å
277P92Very high85.5Confident62 Ų6285.8 Ų85.840%0.40346%0.463SS..PPolyproline II helixtrans-53.5133.3172.9-24.234.1000111.1E279 E280P277-E279 VanDerWaalsContact CB-OE2 3.28Å; P277-E279 WeakPolarHBondContact CB-OE2 3.17Å; P277-E279 PolarHBondContact O-N 3.16Å; P277-E280 HydrophobicContact CB-CG 4.38Å; P277-E280 WeakPolarHBondContact O-CB 3.16Å; P277-E280 PolarHBondContact O-N 2.84Å
278L91.2Very high87Confident12 Ų1282.2 Ų82.26%0.06345%0.449CS..Hα-helixtrans-65.7-22.9-176.5-76.8179.4000112.1V219 I276 E280 I281 V282 V290 L293 C294 L297V219-L278 HydrophobicContact CG1-CD2 3.65Å; I276-L278 PolarHBondContact O-N 3.11Å; L278-E280 PolarHBondContact O-N 3.27Å; L278-I281 HydrophobicContact CD2-CB 4.36Å; L278-I281 HydrophobicContact CD2-CG1 4.21Å; L278-I281 WeakPolarHBondContact O-CB 3.22Å; L278-I281 PolarHBondContact O-N 3.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.46Å; L278-V282 PolarHBondContact O-N 2.91Å; L278-V290 HydrophobicContact CB-CG1 4.11Å; L278-L293 HydrophobicContact CD1-CD2 4.39Å; L278-L293 HydrophobicContact CD1-CG 4.23Å; L278-C294 HydrophobicContact CD1-CB 4.45Å; L278-L297 HydrophobicContact CD1-CB 4.31Å; L278-L297 HydrophobicContact CD1-CD1 4.26Å; L278-L297 HydrophobicContact CD2-CD1 4.34Å
279E92.8Very high88.4Confident107 Ų10779.9 Ų79.950%0.544%0.437SS..Hα-helixtrans-57.4-32.2171.2-60.772.6-165.500112.4P277 V282 V290P277-E279 VanDerWaalsContact CB-OE2 3.28Å; P277-E279 WeakPolarHBondContact CB-OE2 3.17Å; P277-E279 PolarHBondContact O-N 3.16Å; E279-V282 CarbonylContact O-C 3.53Å; E279-V290 HydrophobicContact CG-CB 4.44Å; E279-V290 HydrophobicContact CG-CG1 3.82Å; E279-V290 HydrophobicContact CG-CG2 4.29Å; E279-V290 WeakPolarHBondContact OE1-CG1 3.2Å
280E92.3Very high89.8Confident135 Ų13573.6 Ų73.663%0.63140%0.399SS*.Hα-helixtrans-78.7-24.3176.1-63.2-178.9-149.300112.1I276 P277 L278I276-E280 HydrophobicContact CG2-CB 3.99Å; P277-E280 HydrophobicContact CB-CG 4.38Å; P277-E280 WeakPolarHBondContact O-CB 3.16Å; P277-E280 PolarHBondContact O-N 2.84Å; L278-E280 PolarHBondContact O-N 3.27Å
281I92.3Very high91Very high38 Ų3874.7 Ų74.720%0.19541%0.406CS..Hα-helixtrans-82.4-34.8179.4-57.8-59.9000111.6N199 L203 V219 I276 L278 P283N199-I281 PolarHBondContact ND2-O 2.87Å; N199-I281 PolarHBondContact OD1-O 3.02Å; L203-I281 HydrophobicContact CD2-CG2 3.72Å; V219-I281 HydrophobicContact CG1-CD1 4.24Å; V219-I281 HydrophobicContact CG1-CG1 3.86Å; V219-I281 HydrophobicContact CG2-CD1 3.99Å; V219-I281 HydrophobicContact CG2-CG1 4.46Å; I276-I281 HydrophobicContact CB-CD1 4.38Å; I276-I281 HydrophobicContact CG2-CD1 3.91Å; I276-I281 HydrophobicContact CG2-CG1 4.25Å; L278-I281 HydrophobicContact CD2-CB 4.36Å; L278-I281 HydrophobicContact CD2-CG1 4.21Å; L278-I281 WeakPolarHBondContact O-CB 3.22Å; L278-I281 PolarHBondContact O-N 3.25Å; I281-P283 VanDerWaalsContact O-CD 3.28Å; I281-P283 WeakPolarHBondContact O-CD 3.47Å
282V91.8Very high91.9Very high1 Ų165.7 Ų65.71%0.00637%0.367CS..SBendtrans-117.366.6176.8-69.30000110.1L198 N199 L278 E279 T285 V290 L293L198-V282 HydrophobicContact CB-CB 4.48Å; L198-V282 HydrophobicContact CB-CG1 4.08Å; L198-V282 HydrophobicContact CD1-CB 4.39Å; L198-V282 HydrophobicContact CD1-CG1 4.09Å; N199-V282 WeakPolarHBondContact OD1-CA 3.38Å; N199-V282 WeakPolarHBondContact OD1-CG1 3.2Å; L278-V282 WeakPolarHBondContact O-CG2 3.46Å; L278-V282 PolarHBondContact O-N 2.91Å; E279-V282 CarbonylContact O-C 3.53Å; V282-T285 HydrophobicContact CB-CG2 3.9Å; V282-T285 HydrophobicContact CG2-CG2 4.41Å; V282-T285 WeakPolarHBondContact CG2-OG1 3.46Å; V282-T285 WeakPolarHBondContact O-CG2 3.29Å; V282-T285 PolarHBondContact O-OG1 3.42Å; V282-V290 HydrophobicContact CG2-CG2 3.98Å; V282-L293 HydrophobicContact CG1-CD2 3.96Å; V282-L293 HydrophobicContact CG2-CD2 4.02Å
283P85.8Confident92.6Very high75 Ų7557.5 Ų57.549%0.48733%0.329SS..THydrogen-bonded Turntrans-60.4152.6-179.428.7-35.1000110.2I281 T285I281-P283 VanDerWaalsContact O-CD 3.28Å; I281-P283 WeakPolarHBondContact O-CD 3.47Å; P283-T285 PolarHBondContact O-N 2.97Å
284D85.9Confident93.1Very high172 Ų17257.7 Ų57.792%0.9233%0.333SS*.THydrogen-bonded Turntrans67.213.3179-48.6-47.2000115.9
285T90.2Very high93.6Very high34 Ų3457.6 Ų57.621%0.20932%0.318CS..  trans-94.3151.5174.366.40000112.5L198 V282 P283 V290L198-T285 HydrophobicContact CB-CG2 3.98Å; L198-T285 HydrophobicContact CD1-CG2 4.19Å; L198-T285 HydrophobicContact CD2-CG2 3.8Å; L198-T285 HydrophobicContact CG-CG2 4.18Å; V282-T285 HydrophobicContact CB-CG2 3.9Å; V282-T285 HydrophobicContact CG2-CG2 4.41Å; V282-T285 WeakPolarHBondContact CG2-OG1 3.46Å; V282-T285 WeakPolarHBondContact O-CG2 3.29Å; V282-T285 PolarHBondContact O-OG1 3.42Å; P283-T285 PolarHBondContact O-N 2.97Å; T285-V290 VanDerWaalsContact OG1-CG2 3.3Å; T285-V290 WeakPolarHBondContact OG1-CG2 3.21Å
286C93.5Very high94Very high47 Ų4754.6 Ų54.632%0.31829%0.293SS..  trans-70.6150.6179.763.50000111.6Q288 A289 V290C286-Q288 PolarHBondContact O-N 3.42Å; C286-A289 WeakPolarHBondContact O-CA 3.42Å; C286-A289 VanDerWaalsContact O-CB 3.3Å; C286-A289 WeakPolarHBondContact O-CB 3.34Å; C286-A289 PolarHBondContact O-N 3.21Å; C286-V290 PolarHBondContact O-N 2.93Å
287P95.9Very high94.3Very high102 Ų10252 Ų5266%0.66228%0.28SS*.Hα-helixtrans-54.8-32.3-178.7-28.135.4000114.1A289 V290 D291P287-A289 VanDerWaalsContact C-N 3.34Å; P287-V290 PolarHBondContact O-N 2.97Å; P287-D291 WeakPolarHBondContact O-CB 3.48Å; P287-D291 PolarHBondContact O-N 3.08Å
288Q97.5Very high94.4Very high71 Ų7151.1 Ų51.133%0.33227%0.274SS..Hα-helixtrans-71-29.2177.7-61.380.1200112.8C286 L292 H313 P314 F315C286-Q288 PolarHBondContact O-N 3.42Å; Q288-L292 WeakPolarHBondContact O-CB 3.33Å; Q288-L292 PolarHBondContact O-N 3.02Å; Q288-L292 VanDerWaalsContact O-N 3.16Å; Q288-H313 PolarHBondContact O-CE1 3.22Å; Q288-H313 VanDerWaalsContact O-CE1 3.3Å; Q288-P314 HydrophobicContact CG-CB 4.38Å; Q288-F315 HydrophobicContact CB-CB 4.15Å; Q288-F315 HydrophobicContact CB-CD2 4.45Å
289A97.3Very high94.4Very high1 Ų150.9 Ų50.91%0.00827%0.272CS..Hα-helixtrans-69-45.8172.900000109.9F194 L198 C286 P287 L292 L293 F315F194-A289 WeakPolarHBondContact CE1-O 3.3Å; F194-A289 HydrophobicContact CZ-CB 3.93Å; L198-A289 HydrophobicContact CD1-CB 4.44Å; L198-A289 HydrophobicContact CD2-CB 4.45Å; C286-A289 WeakPolarHBondContact O-CA 3.42Å; C286-A289 VanDerWaalsContact O-CB 3.3Å; C286-A289 WeakPolarHBondContact O-CB 3.34Å; C286-A289 PolarHBondContact O-N 3.21Å; P287-A289 VanDerWaalsContact C-N 3.34Å; A289-L292 PolarHBondContact O-N 3.47Å; A289-L293 WeakPolarHBondContact O-CB 3.49Å; A289-L293 PolarHBondContact O-N 3.18Å; A289-F315 HydrophobicContact CB-CD2 3.88Å; A289-F315 HydrophobicContact CB-CE2 3.6Å; A289-F315 HydrophobicContact CB-CZ 4.46Å
290V97.3Very high94.2Very high4 Ų446.1 Ų46.12%0.02425%0.25CS..Hα-helixtrans-62.9-46.4177.7-174.50000111.2L278 E279 V282 T285 C286 P287 L292 L293 C294L278-V290 HydrophobicContact CB-CG1 4.11Å; E279-V290 HydrophobicContact CG-CB 4.44Å; E279-V290 HydrophobicContact CG-CG1 3.82Å; E279-V290 HydrophobicContact CG-CG2 4.29Å; E279-V290 WeakPolarHBondContact OE1-CG1 3.2Å; V282-V290 HydrophobicContact CG2-CG2 3.98Å; T285-V290 VanDerWaalsContact OG1-CG2 3.3Å; T285-V290 WeakPolarHBondContact OG1-CG2 3.21Å; C286-V290 PolarHBondContact O-N 2.93Å; P287-V290 PolarHBondContact O-N 2.97Å; V290-L292 VanDerWaalsContact C-N 3.31Å; V290-L292 PolarHBondContact O-N 3.49Å; V290-L293 WeakPolarHBondContact O-CB 3.44Å; V290-L293 PolarHBondContact O-N 3.41Å; V290-L293 VanDerWaalsContact O-N 3.11Å; V290-C294 WeakPolarHBondContact O-CB 3.49Å; V290-C294 PolarHBondContact O-N 2.99Å; V290-C294 PolarHBondContact O-SG 2.76Å
291D97.9Very high94.2Very high69 Ų6940.4 Ų40.437%0.36923%0.225SC..Hα-helixtrans-57.6-43.4176.2-175.263.5000112P287 C294 R295 H313P287-D291 WeakPolarHBondContact O-CB 3.48Å; P287-D291 PolarHBondContact O-N 3.08Å; D291-C294 WeakPolarHBondContact O-CB 3.34Å; D291-C294 PolarHBondContact O-N 3.47Å; D291-R295 VanDerWaalsContact O-CG 3.31Å; D291-R295 WeakPolarHBondContact O-CG 3.19Å; D291-R295 PolarHBondContact O-N 2.78Å; D291-R295 IonicContact OD1-NE 3.36Å; D291-R295 IonicContact OD2-CZ 3.51Å; D291-R295 VanDerWaalsContact OD2-CZ 3.28Å; D291-R295 IonicContact OD2-NE 3.94Å; D291-R295 PolarHBondContact OD2-NE 3.3Å; D291-R295 IonicContact OD2-NH2 2.73Å; D291-R295 PolarHBondContact OD2-NH2 3.16Å; D291-H313 IonicContact OD2-CE1 3.06Å; D291-H313 IonicContact OD2-NE2 3.59Å; D291-H313 PolarHBondContact OD2-NE2 3.46Å
292L98.4Very high93.9Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-65.6-40.1177-177.158.6000111.9F194 Q288 A289 V290 R295 F296 A310 H313 F315 F316F194-L292 HydrophobicContact CE1-CB 4.02Å; F194-L292 HydrophobicContact CE1-CD2 4.04Å; F194-L292 HydrophobicContact CE1-CG 4.05Å; F194-L292 HydrophobicContact CZ-CD2 4.43Å; Q288-L292 WeakPolarHBondContact O-CB 3.33Å; Q288-L292 PolarHBondContact O-N 3.02Å; Q288-L292 VanDerWaalsContact O-N 3.16Å; A289-L292 PolarHBondContact O-N 3.47Å; V290-L292 VanDerWaalsContact C-N 3.31Å; V290-L292 PolarHBondContact O-N 3.49Å; L292-R295 WeakPolarHBondContact O-CB 3.31Å; L292-R295 PolarHBondContact O-N 3.15Å; L292-F296 HydrophobicContact CD1-CD2 4.49Å; L292-F296 HydrophobicContact CD1-CE2 3.78Å; L292-F296 HydrophobicContact CD1-CZ 4.25Å; L292-F296 HydrophobicContact CD2-CE2 4.49Å; L292-F296 HydrophobicContact CG-CD2 4.41Å; L292-F296 HydrophobicContact CG-CE2 3.86Å; L292-F296 VanDerWaalsContact O-CD2 3.3Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.7Å; L292-A310 HydrophobicContact CD1-CB 4.01Å; L292-H313 HydrophobicContact CD1-CB 4.07Å; L292-F315 HydrophobicContact CD2-CB 4.04Å; L292-F315 HydrophobicContact CD2-CD1 3.53Å; L292-F315 HydrophobicContact CD2-CE1 4.26Å; L292-F315 HydrophobicContact CD2-CG 4.01Å; L292-F316 HydrophobicContact CD2-CE2 4Å; L292-F316 HydrophobicContact CD2-CZ 4.18Å
293L97.9Very high94Very high0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-63.6-44.8177-173.365.2000111.3G191 F194 L278 V282 A289 V290 R295 F296 L297G191-L293 WeakPolarHBondContact O-CD1 3.47Å; F194-L293 HydrophobicContact CB-CD1 4.24Å; F194-L293 HydrophobicContact CD1-CB 4.07Å; F194-L293 HydrophobicContact CD1-CD1 3.87Å; F194-L293 HydrophobicContact CE1-CB 4.12Å; F194-L293 HydrophobicContact CG-CD1 4.38Å; L278-L293 HydrophobicContact CD1-CD2 4.39Å; L278-L293 HydrophobicContact CD1-CG 4.23Å; V282-L293 HydrophobicContact CG1-CD2 3.96Å; V282-L293 HydrophobicContact CG2-CD2 4.02Å; A289-L293 WeakPolarHBondContact O-CB 3.49Å; A289-L293 PolarHBondContact O-N 3.18Å; V290-L293 WeakPolarHBondContact O-CB 3.44Å; V290-L293 PolarHBondContact O-N 3.41Å; V290-L293 VanDerWaalsContact O-N 3.11Å; L293-R295 PolarHBondContact O-N 3.08Å; L293-F296 PolarHBondContact O-N 2.89Å; L293-L297 HydrophobicContact CD1-CD1 3.78Å; L293-L297 HydrophobicContact CD1-CG 4.11Å; L293-L297 HydrophobicContact CD2-CD1 4.39Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.36Å; L293-L297 PolarHBondContact O-N 3.06Å
294C96.7Very high94.5Very high47 Ų4748.8 Ų48.832%0.31825%0.245SC..Hα-helixtrans-55.6-34.7174.1-72.50000112.2L278 V290 D291 F296 V298L278-C294 HydrophobicContact CD1-CB 4.45Å; V290-C294 WeakPolarHBondContact O-CB 3.49Å; V290-C294 PolarHBondContact O-N 2.99Å; V290-C294 PolarHBondContact O-SG 2.76Å; D291-C294 WeakPolarHBondContact O-CB 3.34Å; D291-C294 PolarHBondContact O-N 3.47Å; C294-F296 VanDerWaalsContact C-N 3.31Å; C294-F296 PolarHBondContact O-N 3.49Å; C294-V298 VanDerWaalsContact O-CG1 3.3Å; C294-V298 WeakPolarHBondContact O-CG1 3.21Å
295R97.8Very high95Very high109 Ų10941.1 Ų41.141%0.41121%0.205SC..Hα-helixtrans-73.2-19.3178.4-70.3173.6-166.9-1336.2114D291 L292 L293 R304 C305 H313D291-R295 VanDerWaalsContact O-CG 3.31Å; D291-R295 WeakPolarHBondContact O-CG 3.19Å; D291-R295 PolarHBondContact O-N 2.78Å; D291-R295 IonicContact OD1-NE 3.36Å; D291-R295 IonicContact OD2-CZ 3.51Å; D291-R295 VanDerWaalsContact OD2-CZ 3.28Å; D291-R295 IonicContact OD2-NE 3.94Å; D291-R295 PolarHBondContact OD2-NE 3.3Å; D291-R295 IonicContact OD2-NH2 2.73Å; D291-R295 PolarHBondContact OD2-NH2 3.16Å; L292-R295 WeakPolarHBondContact O-CB 3.31Å; L292-R295 PolarHBondContact O-N 3.15Å; L293-R295 PolarHBondContact O-N 3.08Å; R295-R304 WeakPolarHBondContact O-CA 3.18Å; R295-C305 HydrophobicContact CB-CB 3.7Å; R295-C305 PolarHBondContact O-N 3.23Å; R295-H313 PolarHBondContact NE-NE2 3.38Å
296F98.3Very high95.4Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-93.7-42.5174.2-69.4-57.8000112.3M108 L112 L187 V190 L292 L293 C294 V298 R304 C305 A310M108-F296 HydrophobicContact CE-CE2 4.46Å; L112-F296 HydrophobicContact CD2-CE1 4.41Å; L112-F296 HydrophobicContact CD2-CZ 3.73Å; L187-F296 HydrophobicContact CB-CD1 4.17Å; L187-F296 HydrophobicContact CB-CE1 4.49Å; L187-F296 HydrophobicContact CD2-CE1 4.31Å; L187-F296 WeakPolarHBondContact O-CD1 3.34Å; V190-F296 HydrophobicContact CG1-CD2 4.43Å; V190-F296 HydrophobicContact CG1-CE1 4.14Å; V190-F296 HydrophobicContact CG1-CE2 4.03Å; V190-F296 HydrophobicContact CG1-CZ 3.88Å; L292-F296 HydrophobicContact CD1-CD2 4.49Å; L292-F296 HydrophobicContact CD1-CE2 3.78Å; L292-F296 HydrophobicContact CD1-CZ 4.25Å; L292-F296 HydrophobicContact CD2-CE2 4.49Å; L292-F296 HydrophobicContact CG-CD2 4.41Å; L292-F296 HydrophobicContact CG-CE2 3.86Å; L292-F296 VanDerWaalsContact O-CD2 3.3Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 PolarHBondContact O-N 2.7Å; L293-F296 PolarHBondContact O-N 2.89Å; C294-F296 VanDerWaalsContact C-N 3.31Å; C294-F296 PolarHBondContact O-N 3.49Å; F296-V298 VanDerWaalsContact C-N 3.26Å; F296-V298 PolarHBondContact O-N 3.36Å; F296-R304 WeakPolarHBondContact O-CD 3.26Å; F296-R304 WeakPolarHBondContact O-CG 3.29Å; F296-C305 VanDerWaalsContact CE1-O 3.29Å; F296-C305 WeakPolarHBondContact CE1-O 3.46Å; F296-A310 HydrophobicContact CE1-CB 4.29Å; F296-A310 HydrophobicContact CE2-CB 4.41Å; F296-A310 HydrophobicContact CZ-CB 3.56Å
297L96.9Very high95.6Very high6 Ų639.2 Ų39.23%0.03119%0.193CC..SBendtrans-87.460.1-174.6-59.5-174.8000112.1W188 L203 F204 L220 L278 L293W188-L297 HydrophobicContact CD2-CD2 4.26Å; W188-L297 HydrophobicContact CE3-CD2 4.16Å; W188-L297 HydrophobicContact CH2-CD2 4.31Å; W188-L297 HydrophobicContact CZ2-CD2 4.38Å; W188-L297 HydrophobicContact CZ3-CB 4.48Å; W188-L297 HydrophobicContact CZ3-CD2 4.21Å; L203-L297 HydrophobicContact CD1-CD1 3.73Å; F204-L297 HydrophobicContact CE2-CD1 4.34Å; F204-L297 HydrophobicContact CE2-CD2 4.22Å; F204-L297 HydrophobicContact CZ-CD1 4.24Å; L220-L297 HydrophobicContact CD2-CB 4.38Å; L278-L297 HydrophobicContact CD1-CB 4.31Å; L278-L297 HydrophobicContact CD1-CD1 4.26Å; L278-L297 HydrophobicContact CD2-CD1 4.34Å; L293-L297 HydrophobicContact CD1-CD1 3.78Å; L293-L297 HydrophobicContact CD1-CG 4.11Å; L293-L297 HydrophobicContact CD2-CD1 4.39Å; L293-L297 HydrophobicContact CG-CD1 3.88Å; L293-L297 HydrophobicContact CG-CG 4.36Å; L293-L297 PolarHBondContact O-N 3.06Å
298V93.9Very high95.7Very high43 Ų4337.9 Ų37.926%0.26118%0.183SC..  trans-116.4146.6170.7-65.50000111.5C294 F296 R303 R304C294-V298 VanDerWaalsContact O-CG1 3.3Å; C294-V298 WeakPolarHBondContact O-CG1 3.21Å; F296-V298 VanDerWaalsContact C-N 3.26Å; F296-V298 PolarHBondContact O-N 3.36Å; V298-R303 HydrophobicContact CG2-CB 4.07Å; V298-R304 HydrophobicContact CG2-CB 4.31Å; V298-R304 HydrophobicContact CG2-CG 3.51Å; V298-R304 PolarHBondContact O-NE 3.13Å; V298-R304 PolarHBondContact O-NH2 2.7Å
299Y91.8Very high95.7Very high8 Ų839.8 Ų39.83%0.03119%0.192CC..SBendtrans-59.2-53.9-179.9-78.8-62.9000113.1P172 V216 L217 L220 G221 P223 W228 S301 R304P172-Y299 HydrophobicContact CB-CD1 4.11Å; P172-Y299 HydrophobicContact CB-CE1 4.17Å; P172-Y299 HydrophobicContact CG-CD1 3.92Å; P172-Y299 HydrophobicContact CG-CE1 4.32Å; V216-Y299 HydrophobicContact CG1-CE1 4.16Å; L217-Y299 HydrophobicContact CD2-CE1 4.31Å; L217-Y299 WeakPolarHBondContact CD2-OH 3.41Å; L220-Y299 HydrophobicContact CB-CE2 3.71Å; L220-Y299 WeakPolarHBondContact CB-OH 3.47Å; L220-Y299 HydrophobicContact CD1-CE1 4.44Å; L220-Y299 HydrophobicContact CD1-CE2 4.32Å; G221-Y299 PolarHBondContact O-OH 2.98Å; P223-Y299 HydrophobicContact CB-CE2 4.48Å; P223-Y299 HydrophobicContact CG-CD1 4.17Å; P223-Y299 HydrophobicContact CG-CD2 4.35Å; P223-Y299 HydrophobicContact CG-CE1 3.8Å; P223-Y299 HydrophobicContact CG-CE2 4Å; P223-Y299 HydrophobicContact CG-CG 4.44Å; W228-Y299 HydrophobicContact CD2-CD1 4.36Å; W228-Y299 HydrophobicContact CD2-CG 4.25Å; W228-Y299 AromaticContact CE3-CD1 3.38Å; W228-Y299 HydrophobicContact CE3-CD1 3.38Å; W228-Y299 HydrophobicContact CE3-CE1 4.26Å; W228-Y299 AromaticContact CE3-CG 3.62Å; W228-Y299 HydrophobicContact CE3-CG 3.62Å; W228-Y299 HydrophobicContact CH2-CD1 4.45Å; W228-Y299 AromaticContact CZ3-CD1 3.45Å; W228-Y299 HydrophobicContact CZ3-CD1 3.45Å; W228-Y299 VanDerWaalsContact CZ3-CD1 3.45Å; W228-Y299 HydrophobicContact CZ3-CE1 4.18Å; W228-Y299 HydrophobicContact CZ3-CG 4.15Å; Y299-S301 PolarHBondContact O-N 2.89Å; Y299-S301 VanDerWaalsContact O-N 3.12Å; Y299-R304 PolarHBondContact O-NH2 3.38Å; Y299-R304 VanDerWaalsContact O-NH2 3.15Å
300P89.8Confident95.8Very high6 Ų639.8 Ų39.84%0.03919%0.192CC..SBendtrans-73.8114-176.4-16.334.3000109.8S227 R302 R303S227-P300 WeakPolarHBondContact O-CD 3.35Å; S227-P300 WeakPolarHBondContact O-CG 3.2Å; P300-R302 HydrophobicContact CB-CG 4.5Å; P300-R302 PolarHBondContact O-N 2.88Å; P300-R302 VanDerWaalsContact O-N 3.14Å; P300-R303 HydrophobicContact CB-CB 4.29Å; P300-R303 HydrophobicContact CB-CG 4.12Å; P300-R303 HydrophobicContact CG-CG 4.49Å; P300-R303 PolarHBondContact O-N 3.43Å
301S90.5Very high95.9Very high16 Ų1641.2 Ų41.211%0.11220%0.199CC..G310 helixtrans-47.9-45.9-178.2-164.80000113.4E173 D182 G184 Y299 R303 R304E173-S301 PolarHBondContact OE1-OG 3.23Å; D182-S301 WeakPolarHBondContact OD1-CB 3.33Å; D182-S301 PolarHBondContact OD1-OG 3.42Å; G184-S301 WeakPolarHBondContact CA-OG 3.25Å; Y299-S301 PolarHBondContact O-N 2.89Å; Y299-S301 VanDerWaalsContact O-N 3.12Å; S301-R303 PolarHBondContact O-N 3.33Å; S301-R304 VanDerWaalsContact O-CB 3.25Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 WeakPolarHBondContact O-CG 3.5Å; S301-R304 PolarHBondContact O-N 3.13Å; S301-R304 PolarHBondContact OG-NH1 3.15Å
302R87.8Confident95.9Very high121 Ų12144.1 Ų44.146%0.45721%0.213SC..G310 helixtrans-63.6-14.8176.538.1174.6163.7-122-2.5116.4E258 P300E258-R302 IonicContact OE1-NH2 3.82Å; P300-R302 HydrophobicContact CB-CG 4.5Å; P300-R302 PolarHBondContact O-N 2.88Å; P300-R302 VanDerWaalsContact O-N 3.14Å
303R92.8Very high95.9Very high156 Ų15644.4 Ų44.459%0.58922%0.215SC*.G310 helixtrans-93.7-7.9173.1-70.8-172.3179.8169.9-1.4112.5V298 P300 S301V298-R303 HydrophobicContact CG2-CB 4.07Å; P300-R303 HydrophobicContact CB-CB 4.29Å; P300-R303 HydrophobicContact CB-CG 4.12Å; P300-R303 HydrophobicContact CG-CG 4.49Å; P300-R303 PolarHBondContact O-N 3.43Å; S301-R303 PolarHBondContact O-N 3.33Å
304R96.8Very high95.9Very high12 Ų1248 Ų485%0.04524%0.238CC..SBendtrans-68137.9176.9-60.5179.2-172.1141.89.2109.6E173 G184 L187 R295 F296 V298 Y299 S301 S306E173-R304 IonicContact OE1-CZ 3.95Å; E173-R304 IonicContact OE1-NH1 2.77Å; E173-R304 PolarHBondContact OE1-NH1 2.8Å; E173-R304 IonicContact OE1-NH2 2.8Å; E173-R304 PolarHBondContact OE1-NH2 3.14Å; E173-R304 IonicContact OE2-CZ 2.93Å; E173-R304 IonicContact OE2-NH1 3.47Å; E173-R304 IonicContact OE2-NH2 3.98Å; E173-R304 PolarHBondContact OE2-NH2 2.88Å; G184-R304 WeakPolarHBondContact O-CD 3.25Å; G184-R304 PolarHBondContact O-NH1 2.97Å; L187-R304 HydrophobicContact CB-CB 4.18Å; L187-R304 HydrophobicContact CD1-CB 4.29Å; R295-R304 WeakPolarHBondContact O-CA 3.18Å; F296-R304 WeakPolarHBondContact O-CD 3.26Å; F296-R304 WeakPolarHBondContact O-CG 3.29Å; V298-R304 HydrophobicContact CG2-CB 4.31Å; V298-R304 HydrophobicContact CG2-CG 3.51Å; V298-R304 PolarHBondContact O-NE 3.13Å; V298-R304 PolarHBondContact O-NH2 2.7Å; Y299-R304 PolarHBondContact O-NH2 3.38Å; Y299-R304 VanDerWaalsContact O-NH2 3.15Å; S301-R304 VanDerWaalsContact O-CB 3.25Å; S301-R304 WeakPolarHBondContact O-CB 3.43Å; S301-R304 WeakPolarHBondContact O-CG 3.5Å; S301-R304 PolarHBondContact O-N 3.13Å; S301-R304 PolarHBondContact OG-NH1 3.15Å; R304-S306 PolarHBondContact O-N 3.12Å
305C96.2Very high96Very high12 Ų1245.9 Ų45.98%0.08122%0.224CC..PPolyproline II helixtrans-65.1128.2176.6178.30000110.5L187 R295 F296 Q309 A310L187-C305 WeakPolarHBondContact CD1-O 3.31Å; R295-C305 HydrophobicContact CB-CB 3.7Å; R295-C305 PolarHBondContact O-N 3.23Å; F296-C305 VanDerWaalsContact CE1-O 3.29Å; F296-C305 WeakPolarHBondContact CE1-O 3.46Å; C305-Q309 WeakPolarHBondContact SG-CB 3.45Å; C305-A310 PolarHBondContact SG-N 3.12Å; C305-A310 VanDerWaalsContact SG-N 3.45Å
306S98.3Very high96Very high38 Ų3840.9 Ų40.927%0.26621%0.205SC..PPolyproline II helixtrans-65.4156.8176.366.10000111.7R304 T308 Q309 A310R304-S306 PolarHBondContact O-N 3.12Å; S306-T308 VanDerWaalsContact C-N 3.26Å; S306-T308 PolarHBondContact O-N 3.34Å; S306-Q309 VanDerWaalsContact N-OE1 3.07Å; S306-Q309 PolarHBondContact O-N 2.82Å; S306-Q309 VanDerWaalsContact O-N 3.14Å; S306-Q309 WeakPolarHBondContact OG-CB 3.19Å; S306-Q309 VanDerWaalsContact OG-CD 3.23Å; S306-Q309 VanDerWaalsContact OG-CG 3.22Å; S306-Q309 WeakPolarHBondContact OG-CG 3.3Å; S306-Q309 PolarHBondContact OG-N 2.9Å; S306-Q309 PolarHBondContact OG-OE1 3.41Å; S306-A310 WeakPolarHBondContact O-CB 3.42Å; S306-A310 PolarHBondContact O-N 2.88Å
307A98.4Very high96Very high2 Ų247.5 Ų47.52%0.01723%0.234CC..Hα-helixtrans-58.1-39.8178.200000112.4L112 V115 A116 L187 A310 L311L112-A307 HydrophobicContact CD2-CB 4.14Å; V115-A307 HydrophobicContact CB-CB 4.11Å; V115-A307 HydrophobicContact CG1-CB 3.88Å; A116-A307 HydrophobicContact CB-CB 3.87Å; L187-A307 HydrophobicContact CD2-CB 4.22Å; A307-A310 PolarHBondContact O-N 3.02Å; A307-L311 WeakPolarHBondContact O-CG 3.45Å; A307-L311 PolarHBondContact O-N 3.12Å; A307-L311 VanDerWaalsContact O-N 3.07Å
308T98.1Very high95.8Very high74 Ų7448.6 Ų48.645%0.45424%0.242SC..Hα-helixtrans-63.1-42176.3-53.30000112.5S306 L311S306-T308 VanDerWaalsContact C-N 3.26Å; S306-T308 PolarHBondContact O-N 3.34Å; T308-L311 PolarHBondContact O-N 3.17Å
309Q98.1Very high95.9Very high112 Ų11252 Ų5252%0.52327%0.267SS..Hα-helixtrans-68.9-36.1176.1-73.5165.4-37.500112C305 S306 L311 I312C305-Q309 WeakPolarHBondContact SG-CB 3.45Å; S306-Q309 VanDerWaalsContact N-OE1 3.07Å; S306-Q309 PolarHBondContact O-N 2.82Å; S306-Q309 VanDerWaalsContact O-N 3.14Å; S306-Q309 WeakPolarHBondContact OG-CB 3.19Å; S306-Q309 VanDerWaalsContact OG-CD 3.23Å; S306-Q309 VanDerWaalsContact OG-CG 3.22Å; S306-Q309 WeakPolarHBondContact OG-CG 3.3Å; S306-Q309 PolarHBondContact OG-N 2.9Å; S306-Q309 PolarHBondContact OG-OE1 3.41Å; Q309-L311 VanDerWaalsContact C-N 3.33Å; Q309-L311 PolarHBondContact O-N 3.34Å; Q309-I312 WeakPolarHBondContact O-CG1 3.4Å; Q309-I312 PolarHBondContact O-N 3.31Å
310A98.5Very high96.1Very high0 Ų054.2 Ų54.20%028%0.283CS..Hα-helixtrans-65.6-35.1177.300000112.3L112 L292 F296 C305 S306 A307 I312 H313 F316L112-A310 HydrophobicContact CD1-CB 3.75Å; L112-A310 HydrophobicContact CD2-CB 3.92Å; L112-A310 HydrophobicContact CG-CB 4.47Å; L292-A310 HydrophobicContact CD1-CB 4.01Å; F296-A310 HydrophobicContact CE1-CB 4.29Å; F296-A310 HydrophobicContact CE2-CB 4.41Å; F296-A310 HydrophobicContact CZ-CB 3.56Å; C305-A310 PolarHBondContact SG-N 3.12Å; C305-A310 VanDerWaalsContact SG-N 3.45Å; S306-A310 WeakPolarHBondContact O-CB 3.42Å; S306-A310 PolarHBondContact O-N 2.88Å; A307-A310 PolarHBondContact O-N 3.02Å; A310-I312 PolarHBondContact O-N 3.2Å; A310-H313 WeakPolarHBondContact O-CB 3.28Å; A310-H313 PolarHBondContact O-N 2.81Å; A310-F316 WeakPolarHBondContact O-CD2 3.46Å; A310-F316 VanDerWaalsContact O-CE2 3.23Å; A310-F316 WeakPolarHBondContact O-CE2 3.34Å
311L98.5Very high96.4Very high34 Ų3459.2 Ų59.218%0.17831%0.309CS..Hα-helixtrans-61.1-25.6179-74.7168.1000113.9M109 L112 K113 A116 A307 T308 Q309M109-L311 HydrophobicContact SD-CD2 3.38Å; M109-L311 WeakPolarHBondContact SD-CD2 3.47Å; L112-L311 HydrophobicContact CB-CD2 3.61Å; L112-L311 HydrophobicContact CB-CG 3.89Å; L112-L311 HydrophobicContact CD1-CD2 4.42Å; K113-L311 HydrophobicContact CG-CD1 4.1Å; K113-L311 HydrophobicContact CG-CD2 3.8Å; A116-L311 HydrophobicContact CB-CD1 4.31Å; A307-L311 WeakPolarHBondContact O-CG 3.45Å; A307-L311 PolarHBondContact O-N 3.12Å; A307-L311 VanDerWaalsContact O-N 3.07Å; T308-L311 PolarHBondContact O-N 3.17Å; Q309-L311 VanDerWaalsContact C-N 3.33Å; Q309-L311 PolarHBondContact O-N 3.34Å
312I98.2Very high96.8Very high130 Ų13060.4 Ų60.467%0.66732%0.316SS*.THydrogen-bonded Turntrans-96.611.6176.962.4168.1000112.9Q309 A310Q309-I312 WeakPolarHBondContact O-CG1 3.4Å; Q309-I312 PolarHBondContact O-N 3.31Å; A310-I312 PolarHBondContact O-N 3.2Å
313H98.6Very high97.2Very high6 Ų655.4 Ų55.43%0.02830%0.3CS..SBendtrans-71.2142.2-179.1-166.3-99.1000112.4Q288 D291 L292 R295 A310 F315 F316 F317Q288-H313 PolarHBondContact O-CE1 3.22Å; Q288-H313 VanDerWaalsContact O-CE1 3.3Å; D291-H313 IonicContact OD2-CE1 3.06Å; D291-H313 IonicContact OD2-NE2 3.59Å; D291-H313 PolarHBondContact OD2-NE2 3.46Å; L292-H313 HydrophobicContact CD1-CB 4.07Å; R295-H313 PolarHBondContact NE-NE2 3.38Å; A310-H313 WeakPolarHBondContact O-CB 3.28Å; A310-H313 PolarHBondContact O-N 2.81Å; H313-F315 VanDerWaalsContact ND1-CB 3.27Å; H313-F315 WeakPolarHBondContact ND1-CB 3.44Å; H313-F315 PolarHBondContact ND1-N 2.77Å; H313-F315 PolarHBondContact O-N 3Å; H313-F316 HydrophobicContact CB-CD2 4.4Å; H313-F316 PolarHBondContact O-N 2.98Å; H313-F317 WeakPolarHBondContact O-CD2 3.25Å
314P98.3Very high97.4Very high75 Ų7552.8 Ų52.849%0.48730%0.295SS..G310 helixtrans-54.2-22177.7-29.336.4000115.6Q288 F316 F317 S318Q288-P314 HydrophobicContact CG-CB 4.38Å; P314-F316 PolarHBondContact O-N 3Å; P314-F317 PolarHBondContact O-N 3.41Å; P314-F317 VanDerWaalsContact O-N 3.13Å; P314-S318 PolarHBondContact O-N 3.44Å; P314-S318 PolarHBondContact O-OG 3.19Å
315F98.2Very high97.2Very high4 Ų454.3 Ų54.32%0.01830%0.302CS..G310 helixtrans-51.1-38.7172.7176-115.5000112.4K105 F194 Q288 A289 L292 H313 S318K105-F315 HydrophobicContact CB-CE1 4.35Å; K105-F315 HydrophobicContact CB-CZ 4.42Å; K105-F315 HydrophobicContact CD-CE2 4.34Å; K105-F315 HydrophobicContact CD-CZ 4.29Å; K105-F315 WeakPolarHBondContact CD-O 3.46Å; K105-F315 WeakPolarHBondContact CE-O 3.14Å; K105-F315 HydrophobicContact CG-CD1 4.14Å; K105-F315 HydrophobicContact CG-CD2 4.44Å; K105-F315 HydrophobicContact CG-CE1 3.5Å; K105-F315 VanDerWaalsContact CG-CE1 3.5Å; K105-F315 HydrophobicContact CG-CE2 3.82Å; K105-F315 HydrophobicContact CG-CZ 3.31Å; K105-F315 PolarHBondContact NZ-O 3.29Å; F194-F315 AromaticContact CE2-CE1 3.9Å; F194-F315 HydrophobicContact CE2-CE1 3.9Å; F194-F315 HydrophobicContact CE2-CE2 4.44Å; F194-F315 AromaticContact CE2-CZ 3.64Å; F194-F315 HydrophobicContact CE2-CZ 3.64Å; F194-F315 HydrophobicContact CZ-CD1 4.34Å; F194-F315 AromaticContact CZ-CE1 3.74Å; F194-F315 HydrophobicContact CZ-CE1 3.74Å; F194-F315 HydrophobicContact CZ-CE2 4.02Å; F194-F315 AromaticContact CZ-CZ 3.56Å; F194-F315 HydrophobicContact CZ-CZ 3.56Å; Q288-F315 HydrophobicContact CB-CB 4.15Å; Q288-F315 HydrophobicContact CB-CD2 4.45Å; A289-F315 HydrophobicContact CB-CD2 3.88Å; A289-F315 HydrophobicContact CB-CE2 3.6Å; A289-F315 HydrophobicContact CB-CZ 4.46Å; L292-F315 HydrophobicContact CD2-CB 4.04Å; L292-F315 HydrophobicContact CD2-CD1 3.53Å; L292-F315 HydrophobicContact CD2-CE1 4.26Å; L292-F315 HydrophobicContact CD2-CG 4.01Å; H313-F315 VanDerWaalsContact ND1-CB 3.27Å; H313-F315 WeakPolarHBondContact ND1-CB 3.44Å; H313-F315 PolarHBondContact ND1-N 2.77Å; H313-F315 PolarHBondContact O-N 3Å; F315-S318 PolarHBondContact O-OG 3.44Å
316F98.3Very high97Very high4 Ų457.4 Ų57.42%0.01832%0.324CS..G310 helixtrans-84.5-9.8-177.2-63.7-66000114.8K105 M108 M109 L112 L292 A310 H313 P314 P322K105-F316 HydrophobicContact CB-CD1 4.37Å; K105-F316 WeakPolarHBondContact O-CE1 3.27Å; M108-F316 HydrophobicContact CB-CE1 3.94Å; M108-F316 HydrophobicContact CB-CZ 4Å; M109-F316 HydrophobicContact CB-CD1 4.3Å; M109-F316 HydrophobicContact CB-CE1 4.05Å; M109-F316 HydrophobicContact CE-CB 3.49Å; M109-F316 VanDerWaalsContact CE-CB 3.49Å; M109-F316 HydrophobicContact CE-CD1 3.5Å; M109-F316 VanDerWaalsContact CE-CD1 3.5Å; M109-F316 HydrophobicContact CE-CD2 4.11Å; M109-F316 HydrophobicContact CE-CE1 4.23Å; M109-F316 HydrophobicContact CE-CG 3.42Å; M109-F316 VanDerWaalsContact CE-CG 3.42Å; L112-F316 HydrophobicContact CD1-CE2 3.66Å; L112-F316 HydrophobicContact CD1-CZ 3.52Å; L292-F316 HydrophobicContact CD2-CE2 4Å; L292-F316 HydrophobicContact CD2-CZ 4.18Å; A310-F316 WeakPolarHBondContact O-CD2 3.46Å; A310-F316 VanDerWaalsContact O-CE2 3.23Å; A310-F316 WeakPolarHBondContact O-CE2 3.34Å; H313-F316 HydrophobicContact CB-CD2 4.4Å; H313-F316 PolarHBondContact O-N 2.98Å; P314-F316 PolarHBondContact O-N 3Å; F316-P322 HydrophobicContact CB-CG 4.46Å; F316-P322 HydrophobicContact CD1-CG 4.25Å; F316-P322 VanDerWaalsContact O-CD 3.26Å; F316-P322 WeakPolarHBondContact O-CD 3.37Å
317F97.3Very high96.6Very high139 Ų13961.8 Ų61.861%0.6134%0.34SS*.THydrogen-bonded Turntrans-113.5-11-176.9-55.4-79.6000113.2H313 P314H313-F317 WeakPolarHBondContact O-CD2 3.25Å; P314-F317 PolarHBondContact O-N 3.41Å; P314-F317 VanDerWaalsContact O-N 3.13Å
318S94.4Very high96.1Very high29 Ų2962 Ų6220%0.20334%0.341CS..SBendtrans-79.5147172.846.40000111.2K105 P314 F315 P320K105-S318 PolarHBondContact NZ-O 2.89Å; K105-S318 PolarHBondContact NZ-OG 2.56Å; P314-S318 PolarHBondContact O-N 3.44Å; P314-S318 PolarHBondContact O-OG 3.19Å; F315-S318 PolarHBondContact O-OG 3.44Å; S318-P320 CarbonylContact O-C 3.37Å; S318-P320 VanDerWaalsContact O-C 3.27Å
319S94.6Very high95.4Very high113 Ų11360.5 Ų60.579%0.7933%0.333SS*.SBendtrans-67142.9174.3-169.80000111.4
320P96.2Very high94.5Very high55 Ų5557.8 Ų57.836%0.35732%0.321SS..SBendcis-70.4146.5-8.932.1-35.6000110.9P101 A102 K105 S318P101-P320 HydrophobicContact CB-CG 3.84Å; A102-P320 HydrophobicContact CB-CB 4.16Å; A102-P320 HydrophobicContact CB-CG 4.27Å; K105-P320 WeakPolarHBondContact CD-O 3.17Å; K105-P320 WeakPolarHBondContact CE-O 3.33Å; K105-P320 PolarHBondContact NZ-O 2.84Å; S318-P320 CarbonylContact O-C 3.37Å; S318-P320 VanDerWaalsContact O-C 3.27Å
321L97.3Very high93Very high112 Ų11258.6 Ų58.659%0.58633%0.326SS*.PPolyproline II helixtrans-67.3160.9175.8-65.7-179.4000111A102 A323A102-L321 WeakPolarHBondContact CB-O 3.34Å; L321-A323 PolarHBondContact O-N 2.83Å
322P97.8Very high91.4Very high41 Ų4164.9 Ų64.927%0.26636%0.355SS..PPolyproline II helixtrans-54.6129.4174.4-21.330.9000111K105 M109 F316K105-P322 HydrophobicContact CB-CB 3.92Å; K105-P322 HydrophobicContact CB-CG 4.02Å; M109-P322 HydrophobicContact CE-CG 4.28Å; F316-P322 HydrophobicContact CB-CG 4.46Å; F316-P322 HydrophobicContact CD1-CG 4.25Å; F316-P322 VanDerWaalsContact O-CD 3.26Å; F316-P322 WeakPolarHBondContact O-CD 3.37Å
323A96.9Very high89.3Confident15 Ų1563.6 Ų63.612%0.12434%0.342CS..PPolyproline II helixtrans-60.5144.3174.400000110A102 Q103 L321 L328A102-A323 HydrophobicContact CB-CB 4.02Å; A102-A323 WeakPolarHBondContact O-CB 3.03Å; A102-A323 PolarHBondContact O-N 3.41Å; Q103-A323 HydrophobicContact CG-CB 4.38Å; L321-A323 PolarHBondContact O-N 2.83Å; A323-L328 HydrophobicContact CB-CD2 3.92Å
324H96.1Very high87.1Confident101 Ų10167.5 Ų67.547%0.46838%0.383SS..PPolyproline II helixtrans-68147.4174.3-170.7-100.8000109.6S326 E327H324-S326 PolarHBondContact ND1-N 3.05Å; H324-S326 PolarHBondContact ND1-OG 2.95Å; H324-S326 PolarHBondContact O-N 3.49Å; H324-E327 HydrophobicContact CB-CG 4.2Å; H324-E327 PolarHBondContact N-OE2 2.78Å; H324-E327 VanDerWaalsContact N-OE2 3.17Å; H324-E327 WeakPolarHBondContact O-CB 3.3Å; H324-E327 PolarHBondContact O-N 3.26Å
325H93.5Very high84.2Confident45 Ų4566.9 Ų66.921%0.20839%0.39CS..G310 helixtrans-57.4-29.7-175.466.976.7000112.9M110 S138 G139 H140 E327 L328M110-H325 HydrophobicContact SD-CB 4.17Å; S138-H325 PolarHBondContact O-ND1 2.8Å; G139-H325 WeakPolarHBondContact CA-O 3.42Å; H140-H325 AromaticContact CD2-CD2 3.99Å; H140-H325 AromaticContact CD2-CG 3.9Å; H140-H325 AromaticContact CE1-CD2 3.54Å; H140-H325 AromaticContact CE1-CE1 3.13Å; H140-H325 PolarHBondContact CE1-CE1 3.48Å; H140-H325 AromaticContact CE1-CG 3.58Å; H140-H325 AromaticContact CE1-ND1 3.32Å; H140-H325 PolarHBondContact CE1-ND1 3.18Å; H140-H325 VanDerWaalsContact CE1-ND1 3.32Å; H140-H325 AromaticContact CE1-NE2 3.25Å; H140-H325 PolarHBondContact CE1-NE2 2.9Å; H140-H325 VanDerWaalsContact CE1-NE2 3.25Å; H140-H325 AromaticContact ND1-CE1 3.82Å; H140-H325 AromaticContact ND1-CG 3.99Å; H140-H325 AromaticContact ND1-ND1 3.62Å; H140-H325 AromaticContact NE2-CD2 3.25Å; H140-H325 PolarHBondContact NE2-CD2 2.73Å; H140-H325 AromaticContact NE2-CE1 3.69Å; H140-H325 AromaticContact NE2-CG 3.52Å; H140-H325 AromaticContact NE2-ND1 3.77Å; H140-H325 AromaticContact NE2-NE2 3.36Å; H140-H325 PolarHBondContact NE2-NE2 3.46Å; H325-E327 PolarHBondContact O-N 3.05Å; H325-L328 HydrophobicContact CB-CD1 4.49Å; H325-L328 WeakPolarHBondContact O-CB 3.35Å; H325-L328 PolarHBondContact O-N 3.21Å
326S91.5Very high81.4Confident77 Ų7774.2 Ų74.254%0.53842%0.418SS..G310 helixtrans-71.8-15.4176.863.80000114.2H324H324-S326 PolarHBondContact ND1-N 3.05Å; H324-S326 PolarHBondContact ND1-OG 2.95Å; H324-S326 PolarHBondContact O-N 3.49Å
327E89.6Confident78.3Confident129 Ų12979 Ų7960%0.60345%0.45SS*.G310 helixtrans-96.7-5.5178.4-58.5170.317000111.8H324 H325H324-E327 HydrophobicContact CB-CG 4.2Å; H324-E327 PolarHBondContact N-OE2 2.78Å; H324-E327 VanDerWaalsContact N-OE2 3.17Å; H324-E327 WeakPolarHBondContact O-CB 3.3Å; H324-E327 PolarHBondContact O-N 3.26Å; H325-E327 PolarHBondContact O-N 3.05Å
328L88.6Confident75.3Confident7 Ų777.8 Ų77.84%0.03746%0.456CS..SBendtrans-76146.7179.3-63.2178.9000110.7Q103 Y107 M110 A323 H325 I330Q103-L328 HydrophobicContact CB-CD2 3.94Å; Q103-L328 HydrophobicContact CG-CD2 3.9Å; Y107-L328 HydrophobicContact CD1-CD1 3.99Å; Y107-L328 HydrophobicContact CD2-CD2 4.4Å; Y107-L328 HydrophobicContact CE1-CB 4.44Å; Y107-L328 HydrophobicContact CE1-CD1 3.78Å; Y107-L328 HydrophobicContact CE2-CB 4.5Å; Y107-L328 HydrophobicContact CE2-CD1 4.48Å; Y107-L328 HydrophobicContact CE2-CD2 4.18Å; Y107-L328 HydrophobicContact CG-CD1 4.43Å; M110-L328 HydrophobicContact CE-CD1 3.25Å; A323-L328 HydrophobicContact CB-CD2 3.92Å; H325-L328 HydrophobicContact CB-CD1 4.49Å; H325-L328 WeakPolarHBondContact O-CB 3.35Å; H325-L328 PolarHBondContact O-N 3.21Å; L328-I330 PolarHBondContact O-N 3.32Å
329P83.7Confident72.8Confident43 Ų4383 Ų8328%0.27947%0.471SS..  trans-66.6124.1178.726.5-32.5000109.9V91 L99 Y107V91-P329 HydrophobicContact CG1-CG 3.84Å; L99-P329 HydrophobicContact CD2-CG 3.77Å; Y107-P329 HydrophobicContact CE2-CG 4.38Å; Y107-P329 PolarHBondContact OH-O 3.25Å
330I77.7Confident69.8Low55 Ų5583.3 Ų83.328%0.28247%0.47SS..  trans-107107.9175.7-55.2177.8000107.7L85 S137 L328 Q332L85-I330 HydrophobicContact CD2-CG2 3.4Å; L85-I330 HydrophobicContact CG-CG2 4.34Å; S137-I330 VanDerWaalsContact O-CD1 3.28Å; S137-I330 WeakPolarHBondContact O-CD1 3.36Å; L328-I330 PolarHBondContact O-N 3.32Å; I330-Q332 PolarHBondContact O-N 3.15Å
331P68.7Low66.9Low17 Ų1788.3 Ų88.311%0.1149%0.488CS..  trans-66.4129.3178-16.531.2000109.2S86 E90 V91S86-P331 WeakPolarHBondContact OG-CB 3.22Å; S86-P331 WeakPolarHBondContact OG-CG 3.28Å; E90-P331 HydrophobicContact CB-CB 4.49Å; E90-P331 HydrophobicContact CB-CG 4.37Å; V91-P331 HydrophobicContact CB-CG 4.17Å; V91-P331 HydrophobicContact CG2-CG 3.38Å
332Q64Low64.1Low165 Ų16591.2 Ų91.277%0.77150%0.504SS*.  trans-84.4120.2169.1-64.9-151-2.900109.4I330 G334I330-Q332 PolarHBondContact O-N 3.15Å; Q332-G334 PolarHBondContact O-N 3.42Å; Q332-G334 VanDerWaalsContact O-N 3.16Å
333R54.9Low60.8Low104 Ų10496.6 Ų96.639%0.39253%0.525SS..THydrogen-bonded Turntrans-64.9112.4169.2-78.6-175.2167.5-179.2-3.4109.2L85 D87 E90L85-R333 VanDerWaalsContact O-CD 3.31Å; L85-R333 WeakPolarHBondContact O-CD 3.36Å; D87-R333 IonicContact OD2-NH2 3.5Å; E90-R333 IonicContact OE1-CZ 2.62Å; E90-R333 IonicContact OE1-NE 3.71Å; E90-R333 PolarHBondContact OE1-NE 3.48Å; E90-R333 IonicContact OE1-NH2 3.59Å; E90-R333 PolarHBondContact OE1-NH2 2.87Å; E90-R333 IonicContact OE2-NE 3.05Å
334G51Low57.8Low87 Ų8799.6 Ų99.690%0.89755%0.55SS**THydrogen-bonded Turntrans109.49.7168.200000118.1Q332Q332-G334 PolarHBondContact O-N 3.42Å; Q332-G334 VanDerWaalsContact O-N 3.16Å
335G38.6Very low54.8Low62 Ų6299.1 Ų99.164%0.63956%0.556SS**  trans-102-2-172.700000117.9
336R39.6Very low52Low158 Ų158102.6 Ų102.660%0.59658%0.583SS**SBendtrans-127.3134.1178.4-81-178.2175.4166.8-0.5110.9
337P32.2Very low49.7Very low106 Ų106103.8 Ų103.869%0.68859%0.587SS**PPolyproline II helixtrans-55148.216226.4-31000107.5R339P337-R339 PolarHBondContact O-N 3.35Å
338P34.5Very low47.1Very low113 Ų113105.3 Ų105.373%0.73460%0.599SS**PPolyproline II helixtrans-48.3126.6171.320.8-30.3000106.8
339R42.1Very low44.7Very low137 Ų137112.9 Ų112.952%0.51763%0.632SS.*PPolyproline II helixtrans-48.8139.7160.6-73.6-176-177.9164.28.8105P337 H341P337-R339 PolarHBondContact O-N 3.35Å; R339-H341 PolarHBondContact O-N 2.87Å
340P32Very low42.6Very low120 Ų120113.5 Ų113.578%0.77964%0.637SS**PPolyproline II helixtrans-46.7123.5167.422.3-30.4000104.4L342P340-L342 PolarHBondContact O-N 2.9Å
341H35.6Very low41Very low160 Ų160117.3 Ų117.374%0.74166%0.663SS**  trans-41.6122168.6-76.6-85.2000103.8R339 Q343R339-H341 PolarHBondContact O-N 2.87Å; H341-Q343 HydrophobicContact CB-CG 4.48Å; H341-Q343 PolarHBondContact O-N 2.67Å
342L36.9Very low39.7Very low173 Ų173123.5 Ų123.591%0.90670%0.695SS**  trans-55.391.8144.7-90.9153.1000101P340 A344P340-L342 PolarHBondContact O-N 2.9Å; L342-A344 PolarHBondContact O-N 2.89Å
343Q30.3Very low38.7Very low155 Ų155121.1 Ų121.172%0.72469%0.687SS**  trans-50.7111.6163.6-78.1178.2-4.100100H341 P345H341-Q343 HydrophobicContact CB-CG 4.48Å; H341-Q343 PolarHBondContact O-N 2.67Å; Q343-P345 VanDerWaalsContact O-N 3.11Å
344A33.4Very low38Very low78 Ų78119.8 Ų119.865%0.64569%0.691SS**  trans-42.2126.8149.500000104L342L342-A344 PolarHBondContact O-N 2.89Å
345P33Very low37.5Very low90 Ų90123 Ų12358%0.58469%0.687SS**  trans-46.1138.8179.319.3-30000106.8Q343 T347Q343-P345 VanDerWaalsContact O-N 3.11Å; P345-T347 PolarHBondContact O-N 2.62Å
346P34.1Very low37.8Very low119 Ų119128 Ų12877%0.77369%0.694SS**  trans-66.284.6-175.627.4-32.2000107.7D348P346-D348 VanDerWaalsContact C-N 3.27Å; P346-D348 PolarHBondContact O-N 2.86Å
347T43Very low38Very low102 Ų102126.7 Ų126.763%0.62670%0.699SS**  trans-89.882.2167.957.40000104P345 F349P345-T347 PolarHBondContact O-N 2.62Å; T347-F349 PolarHBondContact O-N 3.26Å
348D35.9Very low38.5Very low160 Ų160124.7 Ų124.786%0.85669%0.688SS**  trans-53.6101.4154.1-93.4-25.3000105.9P346 S350P346-D348 VanDerWaalsContact C-N 3.27Å; P346-D348 PolarHBondContact O-N 2.86Å; D348-S350 VanDerWaalsContact C-N 3.27Å; D348-S350 PolarHBondContact O-N 3.05Å
349F37.3Very low38.7Very low167 Ų167124.8 Ų124.873%0.73269%0.686SS**  trans-71.990.4177.3-138.1-87.2000106.3T347 V351T347-F349 PolarHBondContact O-N 3.26Å; F349-V351 PolarHBondContact O-N 3.35Å
350S40.3Very low38.7Very low55 Ų55123 Ų12339%0.38569%0.69SS.*  trans-80.7115173.1-177.50000109D348 D352 L353D348-S350 VanDerWaalsContact C-N 3.27Å; D348-S350 PolarHBondContact O-N 3.05Å; S350-D352 PolarHBondContact O-N 2.9Å; S350-D352 PolarHBondContact OG-N 3.47Å; S350-L353 PolarHBondContact O-N 3.47Å
351V43.2Very low39.3Very low136 Ų136121.1 Ų121.182%0.82467%0.673SS**THydrogen-bonded Turntrans-61-8.2174.1-94.80000113.5F349F349-V351 PolarHBondContact O-N 3.35Å
352D42.8Very low39.6Very low146 Ų146118.2 Ų118.278%0.78167%0.668SS**THydrogen-bonded Turntrans-952.1-177.4-61.1-41.5000114.1S350S350-D352 PolarHBondContact O-N 2.9Å; S350-D352 PolarHBondContact OG-N 3.47Å
353L41.6Very low39.8Very low116 Ų116114.2 Ų114.261%0.60765%0.652SS**SBendtrans-108.1145.7-178-70.2172.3000113.8S350 L355S350-L353 PolarHBondContact O-N 3.47Å; L353-L355 PolarHBondContact O-N 2.85Å
354P40.7Very low40.3Very low75 Ų75114 Ų11449%0.48765%0.65SS.*  trans-63.7132.9178.7-19.631.1000113.1Q356 N357P354-Q356 PolarHBondContact O-N 3.35Å; P354-N357 PolarHBondContact O-N 3.47Å
355L40.1Very low40.6Very low155 Ų155116.8 Ų116.881%0.81265%0.654SS**G310 helixtrans-46.4-24.1-179.3-90.7136.6000116.2L353 N357 S358L353-L355 PolarHBondContact O-N 2.85Å; L355-N357 PolarHBondContact O-N 3.05Å; L355-S358 PolarHBondContact O-N 3.42Å
356Q44.6Very low40.8Very low167 Ų167121.8 Ų121.878%0.7866%0.661SS**G310 helixtrans-68.8-21.3-177.1-55.1166.52300112.4P354P354-Q356 PolarHBondContact O-N 3.35Å
357N45.1Very low41.2Very low130 Ų130121.9 Ų121.970%0.69566%0.662SS**G310 helixtrans-95.81.5178.8-63.9-21.8000113.2P354 L355P354-N357 PolarHBondContact O-N 3.47Å; L355-N357 PolarHBondContact O-N 3.05Å
358S42.2Very low40.8Very low65 Ų65126.6 Ų126.646%0.45568%0.676SS.*  trans-104.810.7180-62.90000113.3L355L355-S358 PolarHBondContact O-N 3.42Å
359V39Very low40.7Very low115 Ų115123.3 Ų123.370%0.69767%0.671SS**SBendtrans-90.3115.2179.3-166.30000108.4D361V359-D361 PolarHBondContact O-N 3.26Å
360V42.1Very low40.6Very low98 Ų98124.8 Ų124.859%0.59470%0.702SS**  trans-53131.5173.91790000109.5P362V360-P362 WeakPolarHBondContact O-CD 3.38Å
361D43.8Very low40.6Very low82 Ų82128.3 Ų128.344%0.43972%0.718SS.*  trans-60.4120.7177.6-173.4-29.8000109.5V359 T363 E364V359-D361 PolarHBondContact O-N 3.26Å; D361-T363 PolarHBondContact O-N 3.32Å; D361-T363 WeakPolarHBondContact OD1-CB 3.49Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.37Å; D361-T363 PolarHBondContact OD1-N 3.07Å; D361-T363 PolarHBondContact OD1-OG1 2.86Å; D361-T363 PolarHBondContact OD2-OG1 3.48Å; D361-E364 HydrophobicContact CB-CG 4.35Å; D361-E364 PolarHBondContact O-N 3.29Å
362P41.4Very low40.5Very low98 Ų98127.8 Ų127.864%0.63671%0.712SS**G310 helixtrans-59.1-17.3-180-22.432.2000114.4V360 E364V360-P362 WeakPolarHBondContact O-CD 3.38Å; P362-E364 VanDerWaalsContact C-N 3.34Å
363T41.1Very low40.3Very low90 Ų90126.8 Ų126.855%0.55271%0.709SS**G310 helixtrans-76.3-19.4177.662.90000113.4D361 L365D361-T363 PolarHBondContact O-N 3.32Å; D361-T363 WeakPolarHBondContact OD1-CB 3.49Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.37Å; D361-T363 PolarHBondContact OD1-N 3.07Å; D361-T363 PolarHBondContact OD1-OG1 2.86Å; D361-T363 PolarHBondContact OD2-OG1 3.48Å; T363-L365 VanDerWaalsContact C-N 3.28Å; T363-L365 PolarHBondContact O-N 2.68Å
364E42.3Very low40.2Very low149 Ų149127.5 Ų127.570%0.69672%0.715SS**G310 helixtrans-78.8-8.6174.1-65.5-166.9164.100113.4D361 P362D361-E364 HydrophobicContact CB-CG 4.35Å; D361-E364 PolarHBondContact O-N 3.29Å; P362-E364 VanDerWaalsContact C-N 3.34Å
365L39.7Very low40.2Very low137 Ų137130.8 Ų130.872%0.71773%0.729SS**G310 helixtrans-91.24.3178.1-69.3169.6000114.1T363T363-L365 VanDerWaalsContact C-N 3.28Å; T363-L365 PolarHBondContact O-N 2.68Å
366R37Very low40.2Very low196 Ų196129.1 Ų129.174%0.7472%0.723SS**SBendtrans-82132175-69.7-173.6-175.31793.1110.3H368R366-H368 PolarHBondContact O-N 2.85Å
367P41.8Very low39.9Very low121 Ų121126.4 Ų126.479%0.78672%0.719SS**  trans-63.5131174.426.2-32.3000109.5A369P367-A369 VanDerWaalsContact C-N 3.3Å; P367-A369 PolarHBondContact O-N 3.01Å
368H34.7Very low39.5Very low200 Ų200126.2 Ų126.293%0.92672%0.721SS**  trans-62.793.5168.6-72.3-67.1000109.1R366R366-H368 PolarHBondContact O-N 2.85Å
369A34.7Very low39.3Very low92 Ų92131.3 Ų131.376%0.7674%0.743SS**  trans-81.7112161.300000108.4P367P367-A369 VanDerWaalsContact C-N 3.3Å; P367-A369 PolarHBondContact O-N 3.01Å
370S33.9Very low39.3Very low197 Ų197132.7 Ų132.7100%1.37875%0.748SS**  trans-154.30149.6-690000108.2

Retrieved 370 of 370 residues in 157 ms (Link to these results)

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